PFRMAT TS TARGET T0321 AUTHOR Shortle METHOD FRAGMENT ASSEMBLY METHOD, DESIGNED TO OPTIMIZE (1) LOCAL SIDECHAIN METHOD BACKBONE INTERACTIONS, (2) THE INTERNAL DENSITY OF HYDROPHOBIC METHOD SIDECHAINS, (3) THE INTERNAL DENSITY OF STRAND BACKBONE, (4) AN METHOD ALL ATOM STATISTICAL POTENTIAL, (5) A STATISTICAL HYDRATION METHOD POTENTIAL, AND (6) THE OVERALL DENSITY OF ATOMS. FRAGMENTS OF METHOD LENGTH 30-80 ARE BUILT BY MONTE CARLO ASSEMBLY OF 5-8 MERS METHOD TAKEN FROM PROTEIN STRUCTURES. FRAGMENTS ARE RECOMBINED TO GENERATE METHOD LARGER FRAGMENTS, SIDECHAIN HEAVY ATOMS ARE ADDED, AND FINALLY METHOD ENSEMBLES ARE REFINED USING A SIMPLE GENETIC ALGORITHM. MODEL 1 PARENT N/A ATOM 1 N TRP 2 0.971 -4.050 5.973 1.00 1.00 ATOM 2 CA TRP 2 1.418 -2.679 6.185 1.00 1.00 ATOM 3 C TRP 2 2.723 -2.631 6.959 1.00 1.00 ATOM 4 O TRP 2 3.636 -1.903 6.575 1.00 1.00 ATOM 5 CB TRP 2 0.366 -1.867 6.945 1.00 1.00 ATOM 6 CG TRP 2 0.053 -2.390 8.357 1.00 1.00 ATOM 7 CD1 TRP 2 0.716 -1.986 9.475 1.00 1.00 ATOM 8 CD2 TRP 2 -0.653 -3.559 8.637 1.00 1.00 ATOM 9 NE1 TRP 2 0.319 -2.786 10.531 1.00 1.00 ATOM 10 CE2 TRP 2 -0.535 -3.760 10.033 1.00 1.00 ATOM 11 CE3 TRP 2 -1.489 -4.434 7.919 1.00 1.00 ATOM 12 CZ2 TRP 2 -1.187 -4.818 10.689 1.00 1.00 ATOM 13 CZ3 TRP 2 -2.127 -5.473 8.582 1.00 1.00 ATOM 14 CH2 TRP 2 -1.966 -5.640 9.946 1.00 1.00 ATOM 15 N GLU 3 2.805 -3.395 8.050 1.00 1.00 ATOM 16 CA GLU 3 4.013 -3.420 8.884 1.00 1.00 ATOM 17 C GLU 3 5.222 -3.910 8.095 1.00 1.00 ATOM 18 O GLU 3 6.334 -3.421 8.284 1.00 1.00 ATOM 19 HN GLU 3 2.073 -3.993 8.376 1.00 1.00 ATOM 20 CB GLU 3 3.811 -4.307 10.121 1.00 1.00 ATOM 21 CG GLU 3 5.007 -4.326 11.080 1.00 1.00 ATOM 22 CD GLU 3 4.910 -5.170 12.332 1.00 1.00 ATOM 23 OE1 GLU 3 3.957 -5.834 12.634 1.00 1.00 ATOM 24 OE2 GLU 3 5.912 -5.142 13.068 1.00 1.00 ATOM 25 N ILE 4 4.991 -4.880 7.214 1.00 1.00 ATOM 26 CA ILE 4 6.057 -5.415 6.394 1.00 1.00 ATOM 27 C ILE 4 6.463 -4.291 5.449 1.00 1.00 ATOM 28 O ILE 4 7.645 -4.020 5.272 1.00 1.00 ATOM 29 HN ILE 4 4.100 -5.304 7.050 1.00 1.00 ATOM 30 CB ILE 4 5.585 -6.667 5.612 1.00 1.00 ATOM 31 CG1 ILE 4 5.066 -7.725 6.599 1.00 1.00 ATOM 32 CG2 ILE 4 6.745 -7.081 4.707 1.00 1.00 ATOM 33 CD1 ILE 4 6.282 -8.099 7.581 1.00 1.00 ATOM 34 N TYR 5 5.476 -3.603 4.880 1.00 1.00 ATOM 35 CA TYR 5 5.767 -2.511 3.980 1.00 1.00 ATOM 36 C TYR 5 6.657 -1.487 4.669 1.00 1.00 ATOM 37 O TYR 5 7.700 -1.119 4.150 1.00 1.00 ATOM 38 HN TYR 5 4.499 -3.769 5.015 1.00 1.00 ATOM 39 CB TYR 5 4.476 -1.864 3.551 1.00 1.00 ATOM 40 CG TYR 5 4.575 -0.672 2.648 1.00 1.00 ATOM 41 CD1 TYR 5 5.084 -0.819 1.304 1.00 1.00 ATOM 42 CD2 TYR 5 4.794 0.626 3.152 1.00 1.00 ATOM 43 CE1 TYR 5 5.425 0.252 0.488 1.00 1.00 ATOM 44 CE2 TYR 5 5.175 1.712 2.379 1.00 1.00 ATOM 45 CZ TYR 5 5.497 1.514 1.053 1.00 1.00 ATOM 46 OH TYR 5 5.937 2.557 0.277 1.00 1.00 ATOM 47 N ASP 6 6.221 -1.043 5.840 1.00 1.00 ATOM 48 CA ASP 6 6.997 -0.069 6.597 1.00 1.00 ATOM 49 C ASP 6 8.365 -0.626 6.940 1.00 1.00 ATOM 50 O ASP 6 9.386 0.060 6.858 1.00 1.00 ATOM 51 HN ASP 6 5.369 -1.319 6.285 1.00 1.00 ATOM 52 CB ASP 6 6.279 0.296 7.885 1.00 1.00 ATOM 53 CG ASP 6 5.016 1.119 7.695 1.00 1.00 ATOM 54 OD1 ASP 6 4.795 1.660 6.637 1.00 1.00 ATOM 55 OD2 ASP 6 4.288 1.178 8.716 1.00 1.00 ATOM 56 N ALA 7 8.386 -1.886 7.328 1.00 1.00 ATOM 57 CA ALA 7 9.628 -2.524 7.695 1.00 1.00 ATOM 58 C ALA 7 10.592 -2.511 6.523 1.00 1.00 ATOM 59 O ALA 7 11.766 -2.170 6.670 1.00 1.00 ATOM 60 HN ALA 7 7.586 -2.482 7.399 1.00 1.00 ATOM 61 CB ALA 7 9.346 -3.949 8.124 1.00 1.00 ATOM 62 N MET 8 10.102 -2.876 5.350 1.00 1.00 ATOM 63 CA MET 8 10.957 -2.892 4.186 1.00 1.00 ATOM 64 C MET 8 11.445 -1.494 3.862 1.00 1.00 ATOM 65 O MET 8 12.629 -1.283 3.624 1.00 1.00 ATOM 66 HN MET 8 9.160 -3.156 5.167 1.00 1.00 ATOM 67 CB MET 8 10.240 -3.477 2.980 1.00 1.00 ATOM 68 CG MET 8 9.929 -4.931 3.243 1.00 1.00 ATOM 69 SD MET 8 11.349 -6.016 3.413 1.00 1.00 ATOM 70 CE MET 8 11.507 -6.303 5.143 1.00 1.00 ATOM 71 N ILE 9 10.533 -0.537 3.861 1.00 1.00 ATOM 72 CA ILE 9 10.900 0.834 3.567 1.00 1.00 ATOM 73 C ILE 9 11.957 1.294 4.539 1.00 1.00 ATOM 74 O ILE 9 13.029 1.701 4.098 1.00 1.00 ATOM 75 HN ILE 9 9.560 -0.665 4.053 1.00 1.00 ATOM 76 CB ILE 9 9.651 1.755 3.638 1.00 1.00 ATOM 77 CG1 ILE 9 9.057 1.748 5.047 1.00 1.00 ATOM 78 CG2 ILE 9 8.721 1.313 2.510 1.00 1.00 ATOM 79 CD1 ILE 9 7.961 2.881 5.145 1.00 1.00 ATOM 80 N ASN 10 11.718 1.158 5.837 1.00 1.00 ATOM 81 CA ASN 10 12.696 1.575 6.830 1.00 1.00 ATOM 82 C ASN 10 14.074 0.918 6.727 1.00 1.00 ATOM 83 O ASN 10 15.106 1.539 6.998 1.00 1.00 ATOM 84 HN ASN 10 10.881 0.774 6.227 1.00 1.00 ATOM 85 CB ASN 10 12.139 1.304 8.213 1.00 1.00 ATOM 86 CG ASN 10 10.900 2.123 8.584 1.00 1.00 ATOM 87 OD1 ASN 10 10.728 3.179 7.894 1.00 1.00 ATOM 88 ND2 ASN 10 10.221 1.776 9.601 1.00 1.00 ATOM 89 N GLY 11 14.088 -0.329 6.249 1.00 1.00 ATOM 90 CA GLY 11 15.309 -1.103 6.143 1.00 1.00 ATOM 91 C GLY 11 15.888 -1.194 4.721 1.00 1.00 ATOM 92 O GLY 11 16.617 -2.128 4.364 1.00 1.00 ATOM 93 HN GLY 11 13.271 -0.813 5.934 1.00 1.00 ATOM 94 N ILE 12 15.557 -0.210 3.872 1.00 1.00 ATOM 95 CA ILE 12 16.074 -0.112 2.511 1.00 1.00 ATOM 96 C ILE 12 16.715 1.270 2.440 1.00 1.00 ATOM 97 O ILE 12 16.148 2.228 2.948 1.00 1.00 ATOM 98 HN ILE 12 14.928 0.526 4.122 1.00 1.00 ATOM 99 CB ILE 12 14.911 -0.245 1.446 1.00 1.00 ATOM 100 CG1 ILE 12 14.030 0.842 1.669 1.00 1.00 ATOM 101 CG2 ILE 12 14.381 -1.660 1.600 1.00 1.00 ATOM 102 CD1 ILE 12 12.943 0.887 0.388 1.00 1.00 ATOM 103 N PRO 13 17.888 1.454 1.834 1.00 1.00 ATOM 104 CA PRO 13 18.515 2.769 1.585 1.00 1.00 ATOM 105 C PRO 13 17.860 3.465 0.392 1.00 1.00 ATOM 106 O PRO 13 17.260 2.878 -0.540 1.00 1.00 ATOM 107 CB PRO 13 20.016 2.452 1.417 1.00 1.00 ATOM 108 CG PRO 13 20.072 0.957 1.594 1.00 1.00 ATOM 109 CD PRO 13 19.103 0.686 2.694 1.00 1.00 ATOM 110 N GLU 14 18.084 4.771 0.391 1.00 1.00 ATOM 111 CA GLU 14 17.544 5.654 -0.661 1.00 1.00 ATOM 112 C GLU 14 18.077 5.267 -2.020 1.00 1.00 ATOM 113 O GLU 14 17.368 5.679 -2.947 1.00 1.00 ATOM 114 HN GLU 14 18.623 5.248 1.085 1.00 1.00 ATOM 115 CB GLU 14 17.807 7.113 -0.273 1.00 1.00 ATOM 116 CG GLU 14 17.061 7.439 0.927 1.00 1.00 ATOM 117 CD GLU 14 15.437 7.367 0.644 1.00 1.00 ATOM 118 OE1 GLU 14 14.965 7.794 -0.421 1.00 1.00 ATOM 119 OE2 GLU 14 14.705 6.909 1.562 1.00 1.00 ATOM 120 N ASP 15 19.146 4.546 -2.298 1.00 1.00 ATOM 121 CA ASP 15 19.503 4.209 -3.689 1.00 1.00 ATOM 122 C ASP 15 18.931 2.862 -4.139 1.00 1.00 ATOM 123 O ASP 15 19.377 2.357 -5.226 1.00 1.00 ATOM 124 HN ASP 15 19.779 4.181 -1.616 1.00 1.00 ATOM 125 CB ASP 15 21.029 4.245 -3.911 1.00 1.00 ATOM 126 CG ASP 15 21.691 3.193 -3.013 1.00 1.00 ATOM 127 OD1 ASP 15 21.215 2.581 -2.169 1.00 1.00 ATOM 128 OD2 ASP 15 23.006 3.138 -3.168 1.00 1.00 ATOM 129 N PHE 16 18.009 2.268 -3.371 1.00 1.00 ATOM 130 CA PHE 16 17.485 0.969 -3.848 1.00 1.00 ATOM 131 C PHE 16 16.419 1.040 -4.962 1.00 1.00 ATOM 132 O PHE 16 15.766 2.086 -5.091 1.00 1.00 ATOM 133 HN PHE 16 17.611 2.574 -2.506 1.00 1.00 ATOM 134 CB PHE 16 16.812 0.297 -2.644 1.00 1.00 ATOM 135 CG PHE 16 15.623 1.060 -2.057 1.00 1.00 ATOM 136 CD1 PHE 16 14.346 0.795 -2.557 1.00 1.00 ATOM 137 CD2 PHE 16 15.798 2.096 -1.180 1.00 1.00 ATOM 138 CE1 PHE 16 13.288 1.577 -2.136 1.00 1.00 ATOM 139 CE2 PHE 16 14.766 2.874 -0.727 1.00 1.00 ATOM 140 CZ PHE 16 13.462 2.590 -1.212 1.00 1.00 ATOM 141 N LEU 17 16.241 -0.068 -5.649 1.00 1.00 ATOM 142 CA LEU 17 15.168 -0.308 -6.645 1.00 1.00 ATOM 143 C LEU 17 14.181 -1.254 -5.944 1.00 1.00 ATOM 144 O LEU 17 14.663 -2.290 -5.363 1.00 1.00 ATOM 145 HN LEU 17 16.859 -0.844 -5.523 1.00 1.00 ATOM 146 CB LEU 17 15.780 -0.875 -7.921 1.00 1.00 ATOM 147 CG LEU 17 14.684 -1.051 -8.969 1.00 1.00 ATOM 148 CD1 LEU 17 14.233 0.533 -9.238 1.00 1.00 ATOM 149 CD2 LEU 17 15.105 -1.608 -10.232 1.00 1.00 ATOM 150 N VAL 18 12.899 -0.936 -5.898 1.00 1.00 ATOM 151 CA VAL 18 11.916 -1.745 -5.192 1.00 1.00 ATOM 152 C VAL 18 11.009 -2.506 -6.158 1.00 1.00 ATOM 153 O VAL 18 10.460 -1.851 -7.041 1.00 1.00 ATOM 154 HN VAL 18 12.516 -0.125 -6.340 1.00 1.00 ATOM 155 CB VAL 18 11.080 -0.881 -4.220 1.00 1.00 ATOM 156 CG1 VAL 18 11.960 -0.231 -3.204 1.00 1.00 ATOM 157 CG2 VAL 18 10.075 -1.721 -3.501 1.00 1.00 ATOM 158 N ASP 19 10.843 -3.806 -6.019 1.00 1.00 ATOM 159 CA ASP 19 9.959 -4.613 -6.866 1.00 1.00 ATOM 160 C ASP 19 8.628 -4.743 -6.164 1.00 1.00 ATOM 161 O ASP 19 8.534 -5.371 -5.057 1.00 1.00 ATOM 162 HN ASP 19 11.320 -4.330 -5.313 1.00 1.00 ATOM 163 CB ASP 19 10.545 -6.022 -7.151 1.00 1.00 ATOM 164 CG ASP 19 9.619 -6.806 -8.105 1.00 1.00 ATOM 165 OD1 ASP 19 8.833 -6.748 -8.578 1.00 1.00 ATOM 166 OD2 ASP 19 10.547 -8.105 -7.938 1.00 1.00 ATOM 167 N GLU 20 7.546 -4.170 -6.726 1.00 1.00 ATOM 168 CA GLU 20 6.235 -4.206 -6.078 1.00 1.00 ATOM 169 C GLU 20 5.176 -4.831 -6.931 1.00 1.00 ATOM 170 O GLU 20 4.664 -4.126 -7.806 1.00 1.00 ATOM 171 HN GLU 20 7.554 -3.689 -7.603 1.00 1.00 ATOM 172 CB GLU 20 5.752 -2.787 -5.659 1.00 1.00 ATOM 173 CG GLU 20 6.626 -2.215 -4.553 1.00 1.00 ATOM 174 CD GLU 20 6.208 -0.784 -4.068 1.00 1.00 ATOM 175 OE1 GLU 20 5.399 -0.077 -4.604 1.00 1.00 ATOM 176 OE2 GLU 20 6.797 -0.395 -3.044 1.00 1.00 ATOM 177 N LEU 21 4.822 -6.059 -6.613 1.00 1.00 ATOM 178 CA LEU 21 3.742 -6.729 -7.397 1.00 1.00 ATOM 179 C LEU 21 2.414 -6.282 -6.794 1.00 1.00 ATOM 180 O LEU 21 1.799 -7.014 -6.021 1.00 1.00 ATOM 181 HN LEU 21 5.203 -6.622 -5.881 1.00 1.00 ATOM 182 CB LEU 21 3.912 -8.238 -7.500 1.00 1.00 ATOM 183 CG LEU 21 4.799 -8.749 -8.600 1.00 1.00 ATOM 184 CD1 LEU 21 6.255 -8.340 -8.438 1.00 1.00 ATOM 185 CD2 LEU 21 4.709 -10.293 -8.716 1.00 1.00 ATOM 186 N VAL 22 1.938 -5.085 -7.192 1.00 1.00 ATOM 187 CA VAL 22 0.617 -4.652 -6.690 1.00 1.00 ATOM 188 C VAL 22 -0.434 -5.424 -7.483 1.00 1.00 ATOM 189 O VAL 22 -0.192 -5.672 -8.689 1.00 1.00 ATOM 190 HN VAL 22 2.377 -4.427 -7.804 1.00 1.00 ATOM 191 CB VAL 22 0.460 -3.125 -6.915 1.00 1.00 ATOM 192 CG1 VAL 22 1.482 -2.227 -6.230 1.00 1.00 ATOM 193 CG2 VAL 22 -0.852 -2.501 -6.455 1.00 1.00 ATOM 194 N CYS 23 -1.508 -5.799 -6.843 1.00 1.00 ATOM 195 CA CYS 23 -2.674 -6.424 -7.415 1.00 1.00 ATOM 196 C CYS 23 -3.969 -5.680 -7.027 1.00 1.00 ATOM 197 O CYS 23 -4.563 -5.948 -5.976 1.00 1.00 ATOM 198 HN CYS 23 -1.566 -5.656 -5.855 1.00 1.00 ATOM 199 CB CYS 23 -2.757 -7.886 -6.984 1.00 1.00 ATOM 200 SG CYS 23 -1.629 -8.692 -7.520 1.00 1.00 ATOM 201 N GLY 24 -4.383 -4.738 -7.871 1.00 1.00 ATOM 202 CA GLY 24 -5.564 -3.909 -7.624 1.00 1.00 ATOM 203 C GLY 24 -6.820 -4.757 -7.684 1.00 1.00 ATOM 204 O GLY 24 -6.974 -5.602 -8.591 1.00 1.00 ATOM 205 HN GLY 24 -3.916 -4.535 -8.731 1.00 1.00 ATOM 206 N THR 25 -7.734 -4.521 -6.737 1.00 1.00 ATOM 207 CA THR 25 -7.526 -3.607 -5.609 1.00 1.00 ATOM 208 C THR 25 -7.405 -4.357 -4.291 1.00 1.00 ATOM 209 O THR 25 -8.195 -4.120 -3.390 1.00 1.00 ATOM 210 HN THR 25 -8.632 -4.962 -6.743 1.00 1.00 ATOM 211 CB THR 25 -8.841 -2.828 -5.582 1.00 1.00 ATOM 212 OG1 THR 25 -8.590 -1.674 -4.392 1.00 1.00 ATOM 213 CG2 THR 25 -9.981 -3.994 -5.195 1.00 1.00 ATOM 214 N THR 26 -6.465 -5.283 -4.182 1.00 1.00 ATOM 215 CA THR 26 -6.496 -6.247 -3.114 1.00 1.00 ATOM 216 C THR 26 -5.198 -6.327 -2.356 1.00 1.00 ATOM 217 O THR 26 -5.209 -6.346 -1.106 1.00 1.00 ATOM 218 HN THR 26 -5.689 -5.389 -4.803 1.00 1.00 ATOM 219 CB THR 26 -6.868 -7.596 -3.665 1.00 1.00 ATOM 220 OG1 THR 26 -5.838 -8.107 -4.687 1.00 1.00 ATOM 221 CG2 THR 26 -8.228 -7.573 -4.381 1.00 1.00 ATOM 222 N HIS 27 -4.072 -6.307 -3.073 1.00 1.00 ATOM 223 CA HIS 27 -2.810 -6.572 -2.387 1.00 1.00 ATOM 224 C HIS 27 -1.629 -6.076 -3.176 1.00 1.00 ATOM 225 O HIS 27 -1.742 -5.690 -4.331 1.00 1.00 ATOM 226 HN HIS 27 -3.973 -6.129 -4.052 1.00 1.00 ATOM 227 CB HIS 27 -2.680 -8.076 -2.105 1.00 1.00 ATOM 228 CG HIS 27 -2.662 -8.804 -3.362 1.00 1.00 ATOM 229 ND1 HIS 27 -3.785 -9.050 -4.191 1.00 1.00 ATOM 230 CD2 HIS 27 -1.640 -9.610 -3.881 1.00 1.00 ATOM 231 CE1 HIS 27 -3.447 -9.838 -5.263 1.00 1.00 ATOM 232 NE2 HIS 27 -2.116 -10.196 -5.078 1.00 1.00 ATOM 233 N SER 28 -0.487 -6.072 -2.526 1.00 1.00 ATOM 234 CA SER 28 0.765 -5.871 -3.205 1.00 1.00 ATOM 235 C SER 28 1.837 -6.655 -2.501 1.00 1.00 ATOM 236 O SER 28 1.813 -6.862 -1.291 1.00 1.00 ATOM 237 HN SER 28 -0.398 -6.203 -1.539 1.00 1.00 ATOM 238 CB SER 28 1.164 -4.396 -3.368 1.00 1.00 ATOM 239 OG SER 28 1.366 -3.667 -2.112 1.00 1.00 ATOM 240 N VAL 29 2.804 -7.063 -3.295 1.00 1.00 ATOM 241 CA VAL 29 3.990 -7.699 -2.784 1.00 1.00 ATOM 242 C VAL 29 5.057 -6.611 -2.673 1.00 1.00 ATOM 243 O VAL 29 5.190 -5.762 -3.556 1.00 1.00 ATOM 244 HN VAL 29 2.792 -6.965 -4.290 1.00 1.00 ATOM 245 CB VAL 29 4.466 -8.794 -3.736 1.00 1.00 ATOM 246 CG1 VAL 29 3.389 -9.856 -3.911 1.00 1.00 ATOM 247 CG2 VAL 29 5.829 -9.388 -3.256 1.00 1.00 ATOM 248 N ILE 30 5.816 -6.624 -1.579 1.00 1.00 ATOM 249 CA ILE 30 6.975 -5.756 -1.439 1.00 1.00 ATOM 250 C ILE 30 8.275 -6.582 -1.405 1.00 1.00 ATOM 251 O ILE 30 8.305 -7.719 -0.955 1.00 1.00 ATOM 252 HN ILE 30 5.652 -7.215 -0.789 1.00 1.00 ATOM 253 CB ILE 30 6.852 -4.874 -0.188 1.00 1.00 ATOM 254 CG1 ILE 30 5.609 -4.017 -0.146 1.00 1.00 ATOM 255 CG2 ILE 30 8.155 -4.078 -0.066 1.00 1.00 ATOM 256 CD1 ILE 30 5.474 -3.042 -1.291 1.00 1.00 ATOM 257 N ARG 31 9.367 -5.979 -1.852 1.00 1.00 ATOM 258 CA ARG 31 10.671 -6.623 -1.845 1.00 1.00 ATOM 259 C ARG 31 11.767 -5.591 -1.675 1.00 1.00 ATOM 260 O ARG 31 11.657 -4.471 -2.161 1.00 1.00 ATOM 261 HN ARG 31 9.375 -5.049 -2.221 1.00 1.00 ATOM 262 CB ARG 31 10.885 -7.391 -3.145 1.00 1.00 ATOM 263 CG ARG 31 9.970 -8.601 -3.338 1.00 1.00 ATOM 264 CD ARG 31 10.419 -9.151 -4.706 1.00 1.00 ATOM 265 NE ARG 31 9.577 -10.316 -4.951 1.00 1.00 ATOM 266 CZ ARG 31 8.363 -10.243 -5.493 1.00 1.00 ATOM 267 NH1 ARG 31 7.834 -9.048 -5.762 1.00 1.00 ATOM 268 NH2 ARG 31 7.692 -11.371 -5.694 1.00 1.00 ATOM 269 N SER 32 12.818 -5.972 -0.963 1.00 1.00 ATOM 270 CA SER 32 13.970 -5.097 -0.770 1.00 1.00 ATOM 271 C SER 32 15.167 -6.033 -0.656 1.00 1.00 ATOM 272 O SER 32 15.248 -6.841 0.272 1.00 1.00 ATOM 273 HN SER 32 12.904 -6.862 -0.515 1.00 1.00 ATOM 274 CB SER 32 13.814 -4.254 0.496 1.00 1.00 ATOM 275 OG SER 32 12.654 -3.251 0.460 1.00 1.00 ATOM 276 N GLY 33 16.082 -5.948 -1.615 1.00 1.00 ATOM 277 CA GLY 33 17.227 -6.840 -1.592 1.00 1.00 ATOM 278 C GLY 33 16.753 -8.265 -1.803 1.00 1.00 ATOM 279 O GLY 33 15.995 -8.542 -2.737 1.00 1.00 ATOM 280 HN GLY 33 16.077 -5.313 -2.388 1.00 1.00 ATOM 281 N ASN 34 17.179 -9.178 -0.935 1.00 1.00 ATOM 282 CA ASN 34 16.782 -10.576 -1.057 1.00 1.00 ATOM 283 C ASN 34 15.569 -10.912 -0.197 1.00 1.00 ATOM 284 O ASN 34 15.152 -12.069 -0.116 1.00 1.00 ATOM 285 HN ASN 34 17.781 -8.992 -0.159 1.00 1.00 ATOM 286 CB ASN 34 17.954 -11.490 -0.673 1.00 1.00 ATOM 287 CG ASN 34 19.132 -11.370 -1.628 1.00 1.00 ATOM 288 OD1 ASN 34 18.913 -10.897 -2.756 1.00 1.00 ATOM 289 ND2 ASN 34 20.273 -11.824 -1.197 1.00 1.00 ATOM 290 N GLY 35 14.980 -9.895 0.420 1.00 1.00 ATOM 291 CA GLY 35 13.838 -10.107 1.298 1.00 1.00 ATOM 292 C GLY 35 12.496 -9.631 0.754 1.00 1.00 ATOM 293 O GLY 35 12.384 -8.520 0.243 1.00 1.00 ATOM 294 HN GLY 35 15.258 -8.938 0.338 1.00 1.00 ATOM 295 N VAL 36 11.483 -10.484 0.874 1.00 1.00 ATOM 296 CA VAL 36 10.139 -10.160 0.431 1.00 1.00 ATOM 297 C VAL 36 9.263 -10.211 1.670 1.00 1.00 ATOM 298 O VAL 36 9.370 -11.141 2.478 1.00 1.00 ATOM 299 HN VAL 36 11.570 -11.397 1.273 1.00 1.00 ATOM 300 CB VAL 36 9.622 -11.194 -0.564 1.00 1.00 ATOM 301 CG1 VAL 36 10.464 -11.530 -1.793 1.00 1.00 ATOM 302 CG2 VAL 36 8.292 -10.946 -1.271 1.00 1.00 ATOM 303 N GLY 37 8.427 -9.194 1.833 1.00 1.00 ATOM 304 CA GLY 37 7.506 -9.132 2.957 1.00 1.00 ATOM 305 C GLY 37 6.104 -9.288 2.369 1.00 1.00 ATOM 306 O GLY 37 5.676 -8.498 1.532 1.00 1.00 ATOM 307 HN GLY 37 8.366 -8.411 1.214 1.00 1.00 ATOM 308 N LEU 38 5.401 -10.328 2.807 1.00 1.00 ATOM 309 CA LEU 38 4.039 -10.587 2.351 1.00 1.00 ATOM 310 C LEU 38 3.070 -10.072 3.420 1.00 1.00 ATOM 311 O LEU 38 3.193 -10.416 4.601 1.00 1.00 ATOM 312 HN LEU 38 5.743 -10.998 3.466 1.00 1.00 ATOM 313 CB LEU 38 3.823 -12.082 2.126 1.00 1.00 ATOM 314 CG LEU 38 4.662 -12.673 1.005 1.00 1.00 ATOM 315 CD1 LEU 38 4.425 -14.190 0.992 1.00 1.00 ATOM 316 CD2 LEU 38 4.363 -12.050 -0.331 1.00 1.00 ATOM 317 N GLY 39 2.119 -9.241 3.002 1.00 1.00 ATOM 318 CA GLY 39 1.132 -8.650 3.906 1.00 1.00 ATOM 319 C GLY 39 0.224 -9.681 4.584 1.00 1.00 ATOM 320 O GLY 39 0.009 -10.770 4.056 1.00 1.00 ATOM 321 HN GLY 39 2.012 -8.965 2.046 1.00 1.00 ATOM 322 N PRO 40 -0.326 -9.339 5.768 1.00 1.00 ATOM 323 CA PRO 40 -1.214 -10.201 6.559 1.00 1.00 ATOM 324 C PRO 40 -2.229 -10.964 5.721 1.00 1.00 ATOM 325 O PRO 40 -2.956 -10.379 4.921 1.00 1.00 ATOM 326 CB PRO 40 -1.878 -9.221 7.520 1.00 1.00 ATOM 327 CG PRO 40 -1.262 -7.929 7.129 1.00 1.00 ATOM 328 CD PRO 40 -0.936 -7.952 5.688 1.00 1.00 ATOM 329 N ASN 41 -2.268 -12.279 5.920 1.00 1.00 ATOM 330 CA ASN 41 -3.174 -13.147 5.180 1.00 1.00 ATOM 331 C ASN 41 -4.639 -12.923 5.550 1.00 1.00 ATOM 332 O ASN 41 -5.224 -13.691 6.317 1.00 1.00 ATOM 333 HN ASN 41 -1.691 -12.760 6.579 1.00 1.00 ATOM 334 CB ASN 41 -2.787 -14.610 5.413 1.00 1.00 ATOM 335 CG ASN 41 -3.640 -15.573 4.617 1.00 1.00 ATOM 336 OD1 ASN 41 -4.098 -15.189 3.528 1.00 1.00 ATOM 337 ND2 ASN 41 -3.868 -16.741 5.163 1.00 1.00 ATOM 338 N ARG 42 -5.218 -11.858 5.003 1.00 1.00 ATOM 339 CA ARG 42 -6.620 -11.516 5.244 1.00 1.00 ATOM 340 C ARG 42 -7.255 -10.923 3.982 1.00 1.00 ATOM 341 O ARG 42 -6.604 -10.275 3.150 1.00 1.00 ATOM 342 HN ARG 42 -4.742 -11.223 4.395 1.00 1.00 ATOM 343 CB ARG 42 -6.831 -10.461 6.411 1.00 1.00 ATOM 344 CG ARG 42 -6.438 -11.072 7.763 1.00 1.00 ATOM 345 CD ARG 42 -7.091 -9.937 8.681 1.00 1.00 ATOM 346 NE ARG 42 -6.316 -8.742 8.368 1.00 1.00 ATOM 347 CZ ARG 42 -5.163 -8.440 8.961 1.00 1.00 ATOM 348 NH1 ARG 42 -4.711 -9.211 9.951 1.00 1.00 ATOM 349 NH2 ARG 42 -4.527 -7.338 8.581 1.00 1.00 ATOM 350 N PRO 43 -8.569 -11.184 3.775 1.00 1.00 ATOM 351 CA PRO 43 -9.244 -10.634 2.609 1.00 1.00 ATOM 352 C PRO 43 -9.235 -9.095 2.707 1.00 1.00 ATOM 353 O PRO 43 -9.374 -8.557 3.812 1.00 1.00 ATOM 354 CB PRO 43 -10.695 -11.148 2.787 1.00 1.00 ATOM 355 CG PRO 43 -10.633 -11.932 4.054 1.00 1.00 ATOM 356 CD PRO 43 -9.548 -11.316 4.919 1.00 1.00 ATOM 357 N PHE 44 -9.005 -8.394 1.601 1.00 1.00 ATOM 358 CA PHE 44 -8.997 -6.927 1.641 1.00 1.00 ATOM 359 C PHE 44 -10.307 -6.280 2.170 1.00 1.00 ATOM 360 O PHE 44 -10.283 -5.234 2.791 1.00 1.00 ATOM 361 HN PHE 44 -8.826 -8.778 0.695 1.00 1.00 ATOM 362 CB PHE 44 -8.659 -6.346 0.272 1.00 1.00 ATOM 363 CG PHE 44 -8.572 -4.827 0.300 1.00 1.00 ATOM 364 CD1 PHE 44 -7.402 -4.237 0.781 1.00 1.00 ATOM 365 CD2 PHE 44 -9.683 -4.050 0.131 1.00 1.00 ATOM 366 CE1 PHE 44 -7.342 -2.852 0.987 1.00 1.00 ATOM 367 CE2 PHE 44 -9.635 -2.676 0.350 1.00 1.00 ATOM 368 CZ PHE 44 -8.459 -2.094 0.781 1.00 1.00 ATOM 369 N GLU 45 -11.419 -7.000 2.028 1.00 1.00 ATOM 370 CA GLU 45 -12.704 -6.478 2.491 1.00 1.00 ATOM 371 C GLU 45 -12.778 -6.301 4.023 1.00 1.00 ATOM 372 O GLU 45 -13.677 -5.612 4.545 1.00 1.00 ATOM 373 HN GLU 45 -11.474 -7.909 1.615 1.00 1.00 ATOM 374 CB GLU 45 -13.845 -7.408 2.000 1.00 1.00 ATOM 375 CG GLU 45 -13.778 -8.849 2.533 1.00 1.00 ATOM 376 CD GLU 45 -14.817 -9.818 2.127 1.00 1.00 ATOM 377 OE1 GLU 45 -15.895 -9.515 1.695 1.00 1.00 ATOM 378 OE2 GLU 45 -14.510 -11.016 2.258 1.00 1.00 ATOM 379 N THR 46 -11.835 -6.905 4.745 1.00 1.00 ATOM 380 CA THR 46 -11.811 -6.795 6.202 1.00 1.00 ATOM 381 C THR 46 -11.221 -5.452 6.643 1.00 1.00 ATOM 382 O THR 46 -11.318 -5.087 7.810 1.00 1.00 ATOM 383 HN THR 46 -11.095 -7.462 4.366 1.00 1.00 ATOM 384 CB THR 46 -10.999 -7.945 6.878 1.00 1.00 ATOM 385 OG1 THR 46 -9.639 -7.854 6.427 1.00 1.00 ATOM 386 CG2 THR 46 -11.617 -9.358 6.552 1.00 1.00 ATOM 387 N ARG 47 -10.675 -4.691 5.707 1.00 1.00 ATOM 388 CA ARG 47 -10.045 -3.427 6.074 1.00 1.00 ATOM 389 C ARG 47 -10.856 -2.319 5.428 1.00 1.00 ATOM 390 O ARG 47 -11.037 -2.318 4.213 1.00 1.00 ATOM 391 HN ARG 47 -10.642 -4.892 4.728 1.00 1.00 ATOM 392 CB ARG 47 -8.607 -3.353 5.548 1.00 1.00 ATOM 393 CG ARG 47 -7.659 -4.332 6.192 1.00 1.00 ATOM 394 CD ARG 47 -6.314 -4.028 5.474 1.00 1.00 ATOM 395 NE ARG 47 -5.335 -4.943 6.048 1.00 1.00 ATOM 396 CZ ARG 47 -4.057 -4.977 5.676 1.00 1.00 ATOM 397 NH1 ARG 47 -3.642 -4.200 4.675 1.00 1.00 ATOM 398 NH2 ARG 47 -3.246 -5.836 6.284 1.00 1.00 ATOM 399 N MET 48 -11.340 -1.377 6.233 1.00 1.00 ATOM 400 CA MET 48 -12.135 -0.276 5.706 1.00 1.00 ATOM 401 C MET 48 -11.367 0.500 4.643 1.00 1.00 ATOM 402 O MET 48 -10.306 1.068 4.913 1.00 1.00 ATOM 403 HN MET 48 -11.207 -1.345 7.224 1.00 1.00 ATOM 404 CB MET 48 -12.547 0.680 6.821 1.00 1.00 ATOM 405 CG MET 48 -13.517 0.045 7.801 1.00 1.00 ATOM 406 SD MET 48 -14.004 1.194 9.130 1.00 1.00 ATOM 407 CE MET 48 -15.135 2.268 8.250 1.00 1.00 ATOM 408 N PRO 49 -11.906 0.544 3.418 1.00 1.00 ATOM 409 CA PRO 49 -11.303 1.240 2.276 1.00 1.00 ATOM 410 C PRO 49 -10.880 2.674 2.577 1.00 1.00 ATOM 411 O PRO 49 -9.863 3.140 2.073 1.00 1.00 ATOM 412 CB PRO 49 -12.407 1.189 1.222 1.00 1.00 ATOM 413 CG PRO 49 -13.493 0.467 1.915 1.00 1.00 ATOM 414 CD PRO 49 -13.409 0.749 3.380 1.00 1.00 ATOM 415 N MET 50 -11.659 3.367 3.402 1.00 1.00 ATOM 416 CA MET 50 -11.370 4.758 3.733 1.00 1.00 ATOM 417 C MET 50 -10.366 4.971 4.856 1.00 1.00 ATOM 418 O MET 50 -10.172 6.101 5.302 1.00 1.00 ATOM 419 HN MET 50 -12.477 3.005 3.848 1.00 1.00 ATOM 420 CB MET 50 -12.666 5.486 4.083 1.00 1.00 ATOM 421 CG MET 50 -13.380 4.922 5.299 1.00 1.00 ATOM 422 SD MET 50 -14.931 5.806 5.704 1.00 1.00 ATOM 423 CE MET 50 -14.321 7.294 6.421 1.00 1.00 ATOM 424 N LEU 51 -9.720 3.907 5.318 1.00 1.00 ATOM 425 CA LEU 51 -8.756 4.060 6.400 1.00 1.00 ATOM 426 C LEU 51 -7.428 3.340 6.179 1.00 1.00 ATOM 427 O LEU 51 -6.795 2.867 7.124 1.00 1.00 ATOM 428 HN LEU 51 -9.823 2.966 4.994 1.00 1.00 ATOM 429 CB LEU 51 -9.402 3.622 7.716 1.00 1.00 ATOM 430 CG LEU 51 -10.565 4.529 8.119 1.00 1.00 ATOM 431 CD1 LEU 51 -11.178 3.849 9.412 1.00 1.00 ATOM 432 CD2 LEU 51 -10.161 5.920 8.405 1.00 1.00 ATOM 433 N THR 52 -6.999 3.285 4.922 1.00 1.00 ATOM 434 CA THR 52 -5.755 2.628 4.571 1.00 1.00 ATOM 435 C THR 52 -4.623 3.385 5.274 1.00 1.00 ATOM 436 O THR 52 -3.716 2.756 5.810 1.00 1.00 ATOM 437 HN THR 52 -7.485 3.681 4.143 1.00 1.00 ATOM 438 CB THR 52 -5.552 2.595 3.065 1.00 1.00 ATOM 439 OG1 THR 52 -6.582 1.759 2.344 1.00 1.00 ATOM 440 CG2 THR 52 -4.212 2.027 2.659 1.00 1.00 ATOM 441 N GLN 53 -4.672 4.712 5.258 1.00 1.00 ATOM 442 CA GLN 53 -3.676 5.509 5.918 1.00 1.00 ATOM 443 C GLN 53 -3.775 5.271 7.441 1.00 1.00 ATOM 444 O GLN 53 -2.767 5.313 8.128 1.00 1.00 ATOM 445 HN GLN 53 -5.382 5.246 4.800 1.00 1.00 ATOM 446 CB GLN 53 -3.838 6.992 5.576 1.00 1.00 ATOM 447 CG GLN 53 -3.586 7.180 4.171 1.00 1.00 ATOM 448 CD GLN 53 -5.117 6.839 3.396 1.00 1.00 ATOM 449 OE1 GLN 53 -6.102 6.519 4.066 1.00 1.00 ATOM 450 NE2 GLN 53 -5.163 6.959 2.084 1.00 1.00 ATOM 451 N ASN 54 -4.973 4.975 7.946 1.00 1.00 ATOM 452 CA ASN 54 -5.131 4.636 9.351 1.00 1.00 ATOM 453 C ASN 54 -4.384 3.343 9.674 1.00 1.00 ATOM 454 O ASN 54 -3.767 3.228 10.730 1.00 1.00 ATOM 455 HN ASN 54 -5.827 4.960 7.425 1.00 1.00 ATOM 456 CB ASN 54 -6.616 4.497 9.707 1.00 1.00 ATOM 457 CG ASN 54 -6.878 4.285 11.199 1.00 1.00 ATOM 458 OD1 ASN 54 -5.930 3.865 11.916 1.00 1.00 ATOM 459 ND2 ASN 54 -8.025 4.591 11.671 1.00 1.00 ATOM 460 N LEU 55 -4.426 2.381 8.758 1.00 1.00 ATOM 461 CA LEU 55 -3.742 1.106 8.965 1.00 1.00 ATOM 462 C LEU 55 -2.227 1.280 9.062 1.00 1.00 ATOM 463 O LEU 55 -1.556 0.552 9.801 1.00 1.00 ATOM 464 HN LEU 55 -4.909 2.446 7.885 1.00 1.00 ATOM 465 CB LEU 55 -4.069 0.133 7.826 1.00 1.00 ATOM 466 CG LEU 55 -3.469 -1.133 8.046 1.00 1.00 ATOM 467 CD1 LEU 55 -4.161 -1.772 9.385 1.00 1.00 ATOM 468 CD2 LEU 55 -3.603 -2.184 6.965 1.00 1.00 ATOM 469 N LEU 56 -1.694 2.246 8.320 1.00 1.00 ATOM 470 CA LEU 56 -0.256 2.505 8.311 1.00 1.00 ATOM 471 C LEU 56 0.147 3.638 9.255 1.00 1.00 ATOM 472 O LEU 56 1.333 3.855 9.500 1.00 1.00 ATOM 473 HN LEU 56 -2.220 2.853 7.725 1.00 1.00 ATOM 474 CB LEU 56 0.204 2.849 6.891 1.00 1.00 ATOM 475 CG LEU 56 0.541 1.687 5.952 1.00 1.00 ATOM 476 CD1 LEU 56 -0.620 0.882 5.653 1.00 1.00 ATOM 477 CD2 LEU 56 1.288 2.224 4.708 1.00 1.00 ATOM 478 N GLY 57 -0.841 4.356 9.782 1.00 1.00 ATOM 479 CA GLY 57 -0.561 5.467 10.675 1.00 1.00 ATOM 480 C GLY 57 0.081 6.607 9.903 1.00 1.00 ATOM 481 O GLY 57 0.967 7.296 10.412 1.00 1.00 ATOM 482 HN GLY 57 -1.816 4.202 9.619 1.00 1.00 ATOM 483 N LEU 58 -0.390 6.816 8.678 1.00 1.00 ATOM 484 CA LEU 58 0.151 7.842 7.791 1.00 1.00 ATOM 485 C LEU 58 -0.910 8.746 7.171 1.00 1.00 ATOM 486 O LEU 58 -1.979 8.275 6.781 1.00 1.00 ATOM 487 HN LEU 58 -1.141 6.289 8.280 1.00 1.00 ATOM 488 CB LEU 58 0.901 7.173 6.639 1.00 1.00 ATOM 489 CG LEU 58 2.136 6.394 7.035 1.00 1.00 ATOM 490 CD1 LEU 58 2.697 5.692 5.821 1.00 1.00 ATOM 491 CD2 LEU 58 3.170 7.274 7.721 1.00 1.00 ATOM 492 N PRO 59 -0.630 10.056 7.072 1.00 1.00 ATOM 493 CA PRO 59 -1.619 10.954 6.461 1.00 1.00 ATOM 494 C PRO 59 -1.651 10.551 4.985 1.00 1.00 ATOM 495 O PRO 59 -0.607 10.227 4.411 1.00 1.00 ATOM 496 CB PRO 59 -1.003 12.337 6.652 1.00 1.00 ATOM 497 CG PRO 59 0.294 12.048 7.367 1.00 1.00 ATOM 498 CD PRO 59 0.748 10.692 6.934 1.00 1.00 ATOM 499 N LEU 60 -2.826 10.559 4.369 1.00 1.00 ATOM 500 CA LEU 60 -2.915 10.151 2.963 1.00 1.00 ATOM 501 C LEU 60 -1.974 10.959 2.058 1.00 1.00 ATOM 502 O LEU 60 -1.388 10.418 1.136 1.00 1.00 ATOM 503 HN LEU 60 -3.702 10.824 4.771 1.00 1.00 ATOM 504 CB LEU 60 -4.358 10.245 2.455 1.00 1.00 ATOM 505 CG LEU 60 -4.534 9.643 1.051 1.00 1.00 ATOM 506 CD1 LEU 60 -5.960 8.996 1.060 1.00 1.00 ATOM 507 CD2 LEU 60 -4.402 10.646 -0.028 1.00 1.00 ATOM 508 N ARG 61 -1.831 12.251 2.331 1.00 1.00 ATOM 509 CA ARG 61 -0.936 13.121 1.574 1.00 1.00 ATOM 510 C ARG 61 0.519 12.665 1.753 1.00 1.00 ATOM 511 O ARG 61 1.267 12.592 0.789 1.00 1.00 ATOM 512 HN ARG 61 -2.323 12.715 3.067 1.00 1.00 ATOM 513 CB ARG 61 -1.132 14.577 2.031 1.00 1.00 ATOM 514 CG ARG 61 -2.480 15.224 1.711 1.00 1.00 ATOM 515 CD ARG 61 -2.275 16.671 1.961 1.00 1.00 ATOM 516 NE ARG 61 -2.022 16.793 3.392 1.00 1.00 ATOM 517 CZ ARG 61 -2.988 16.880 4.304 1.00 1.00 ATOM 518 NH1 ARG 61 -4.260 16.941 3.909 1.00 1.00 ATOM 519 NH2 ARG 61 -2.643 16.963 5.583 1.00 1.00 ATOM 520 N VAL 62 0.894 12.342 2.988 1.00 1.00 ATOM 521 CA VAL 62 2.229 11.852 3.292 1.00 1.00 ATOM 522 C VAL 62 2.508 10.513 2.649 1.00 1.00 ATOM 523 O VAL 62 3.572 10.332 2.071 1.00 1.00 ATOM 524 HN VAL 62 0.295 12.412 3.785 1.00 1.00 ATOM 525 CB VAL 62 2.458 11.749 4.823 1.00 1.00 ATOM 526 CG1 VAL 62 2.544 13.160 5.417 1.00 1.00 ATOM 527 CG2 VAL 62 3.735 10.937 5.136 1.00 1.00 ATOM 528 N ALA 63 1.554 9.583 2.739 1.00 1.00 ATOM 529 CA ALA 63 1.723 8.258 2.147 1.00 1.00 ATOM 530 C ALA 63 1.846 8.342 0.622 1.00 1.00 ATOM 531 O ALA 63 2.755 7.762 0.049 1.00 1.00 ATOM 532 HN ALA 63 0.677 9.713 3.203 1.00 1.00 ATOM 533 CB ALA 63 0.613 7.278 2.582 1.00 1.00 ATOM 534 N ALA 64 0.974 9.113 -0.016 1.00 1.00 ATOM 535 CA ALA 64 1.029 9.315 -1.479 1.00 1.00 ATOM 536 C ALA 64 2.377 9.881 -1.921 1.00 1.00 ATOM 537 O ALA 64 2.977 9.430 -2.888 1.00 1.00 ATOM 538 HN ALA 64 0.230 9.606 0.435 1.00 1.00 ATOM 539 CB ALA 64 -0.025 10.321 -1.920 1.00 1.00 ATOM 540 N GLY 65 2.813 10.909 -1.212 1.00 1.00 ATOM 541 CA GLY 65 4.052 11.587 -1.535 1.00 1.00 ATOM 542 C GLY 65 5.230 10.591 -1.378 1.00 1.00 ATOM 543 O GLY 65 6.064 10.484 -2.287 1.00 1.00 ATOM 544 HN GLY 65 2.336 11.290 -0.420 1.00 1.00 ATOM 545 N CYS 66 5.263 9.791 -0.308 1.00 1.00 ATOM 546 CA CYS 66 6.384 8.860 -0.127 1.00 1.00 ATOM 547 C CYS 66 6.355 7.771 -1.179 1.00 1.00 ATOM 548 O CYS 66 7.399 7.348 -1.667 1.00 1.00 ATOM 549 HN CYS 66 4.578 9.749 0.420 1.00 1.00 ATOM 550 CB CYS 66 6.412 8.259 1.267 1.00 1.00 ATOM 551 SG CYS 66 7.619 7.334 1.514 1.00 1.00 ATOM 552 N VAL 67 5.174 7.342 -1.602 1.00 1.00 ATOM 553 CA VAL 67 5.126 6.302 -2.655 1.00 1.00 ATOM 554 C VAL 67 5.760 6.884 -3.931 1.00 1.00 ATOM 555 O VAL 67 6.614 6.289 -4.604 1.00 1.00 ATOM 556 HN VAL 67 4.275 7.644 -1.287 1.00 1.00 ATOM 557 CB VAL 67 3.695 5.858 -2.989 1.00 1.00 ATOM 558 CG1 VAL 67 2.865 7.006 -3.560 1.00 1.00 ATOM 559 CG2 VAL 67 3.048 5.288 -1.747 1.00 1.00 ATOM 560 N LYS 68 5.339 8.091 -4.253 1.00 1.00 ATOM 561 CA LYS 68 5.830 8.775 -5.462 1.00 1.00 ATOM 562 C LYS 68 7.340 9.061 -5.355 1.00 1.00 ATOM 563 O LYS 68 8.101 8.830 -6.298 1.00 1.00 ATOM 564 HN LYS 68 4.677 8.623 -3.725 1.00 1.00 ATOM 565 CB LYS 68 5.030 10.075 -5.725 1.00 1.00 ATOM 566 CG LYS 68 3.629 9.811 -5.964 1.00 1.00 ATOM 567 CD LYS 68 3.414 9.063 -7.305 1.00 1.00 ATOM 568 CE LYS 68 2.052 8.690 -7.752 1.00 1.00 ATOM 569 NZ LYS 68 2.047 7.970 -9.080 1.00 1.00 ATOM 570 N SER 69 7.775 9.561 -4.208 1.00 1.00 ATOM 571 CA SER 69 9.175 9.859 -3.973 1.00 1.00 ATOM 572 C SER 69 10.094 8.638 -4.117 1.00 1.00 ATOM 573 O SER 69 11.194 8.773 -4.718 1.00 1.00 ATOM 574 HN SER 69 7.179 9.767 -3.432 1.00 1.00 ATOM 575 CB SER 69 9.375 10.453 -2.565 1.00 1.00 ATOM 576 OG SER 69 8.708 11.799 -2.382 1.00 1.00 ATOM 577 N TRP 70 9.667 7.478 -3.623 1.00 1.00 ATOM 578 CA TRP 70 10.498 6.276 -3.708 1.00 1.00 ATOM 579 C TRP 70 10.303 5.483 -4.991 1.00 1.00 ATOM 580 O TRP 70 10.728 4.323 -5.048 1.00 1.00 ATOM 581 HN TRP 70 8.785 7.333 -3.174 1.00 1.00 ATOM 582 CB TRP 70 10.194 5.331 -2.528 1.00 1.00 ATOM 583 CG TRP 70 10.563 5.891 -1.159 1.00 1.00 ATOM 584 CD1 TRP 70 11.207 7.081 -0.969 1.00 1.00 ATOM 585 CD2 TRP 70 10.654 5.141 0.022 1.00 1.00 ATOM 586 NE1 TRP 70 11.557 7.190 0.364 1.00 1.00 ATOM 587 CE2 TRP 70 11.214 6.002 0.995 1.00 1.00 ATOM 588 CE3 TRP 70 10.220 3.871 0.445 1.00 1.00 ATOM 589 CZ2 TRP 70 11.381 5.604 2.332 1.00 1.00 ATOM 590 CZ3 TRP 70 10.389 3.493 1.769 1.00 1.00 ATOM 591 CH2 TRP 70 10.960 4.363 2.681 1.00 1.00 ATOM 592 N ASN 71 9.671 6.088 -6.001 1.00 1.00 ATOM 593 CA ASN 71 9.398 5.428 -7.304 1.00 1.00 ATOM 594 C ASN 71 8.596 4.123 -7.137 1.00 1.00 ATOM 595 O ASN 71 8.727 3.195 -7.943 1.00 1.00 ATOM 596 HN ASN 71 9.340 7.029 -5.945 1.00 1.00 ATOM 597 CB ASN 71 10.694 5.106 -8.075 1.00 1.00 ATOM 598 CG ASN 71 10.468 4.488 -9.462 1.00 1.00 ATOM 599 OD1 ASN 71 9.402 4.820 -10.076 1.00 1.00 ATOM 600 ND2 ASN 71 11.358 3.753 -9.959 1.00 1.00 ATOM 601 N TYR 72 7.807 4.045 -6.072 1.00 1.00 ATOM 602 CA TYR 72 6.966 2.868 -5.822 1.00 1.00 ATOM 603 C TYR 72 5.631 3.084 -6.529 1.00 1.00 ATOM 604 O TYR 72 4.620 3.462 -5.914 1.00 1.00 ATOM 605 HN TYR 72 7.724 4.759 -5.376 1.00 1.00 ATOM 606 CB TYR 72 6.757 2.689 -4.312 1.00 1.00 ATOM 607 CG TYR 72 8.059 2.368 -3.566 1.00 1.00 ATOM 608 CD1 TYR 72 9.059 1.691 -4.190 1.00 1.00 ATOM 609 CD2 TYR 72 8.156 2.659 -2.214 1.00 1.00 ATOM 610 CE1 TYR 72 10.214 1.338 -3.481 1.00 1.00 ATOM 611 CE2 TYR 72 9.304 2.320 -1.518 1.00 1.00 ATOM 612 CZ TYR 72 10.306 1.643 -2.165 1.00 1.00 ATOM 613 OH TYR 72 11.458 1.271 -1.471 1.00 1.00 ATOM 614 N VAL 73 5.629 2.819 -7.830 1.00 1.00 ATOM 615 CA VAL 73 4.458 3.053 -8.644 1.00 1.00 ATOM 616 C VAL 73 3.293 2.157 -8.288 1.00 1.00 ATOM 617 O VAL 73 2.131 2.592 -8.307 1.00 1.00 ATOM 618 HN VAL 73 6.409 2.448 -8.336 1.00 1.00 ATOM 619 CB VAL 73 4.809 2.896 -10.144 1.00 1.00 ATOM 620 CG1 VAL 73 5.823 3.844 -10.496 1.00 1.00 ATOM 621 CG2 VAL 73 3.566 3.173 -11.016 1.00 1.00 ATOM 622 N GLU 74 3.587 0.902 -7.961 1.00 1.00 ATOM 623 CA GLU 74 2.534 -0.034 -7.582 1.00 1.00 ATOM 624 C GLU 74 1.878 0.471 -6.295 1.00 1.00 ATOM 625 O GLU 74 0.657 0.462 -6.167 1.00 1.00 ATOM 626 HN GLU 74 4.506 0.508 -7.947 1.00 1.00 ATOM 627 CB GLU 74 3.102 -1.440 -7.359 1.00 1.00 ATOM 628 CG GLU 74 3.672 -2.070 -8.629 1.00 1.00 ATOM 629 CD GLU 74 2.614 -2.328 -9.686 1.00 1.00 ATOM 630 OE1 GLU 74 1.500 -2.749 -9.385 1.00 1.00 ATOM 631 OE2 GLU 74 2.988 -2.096 -10.874 1.00 1.00 ATOM 632 N ALA 75 2.701 0.921 -5.355 1.00 1.00 ATOM 633 CA ALA 75 2.211 1.440 -4.080 1.00 1.00 ATOM 634 C ALA 75 1.332 2.670 -4.300 1.00 1.00 ATOM 635 O ALA 75 0.240 2.772 -3.738 1.00 1.00 ATOM 636 HN ALA 75 3.697 0.939 -5.445 1.00 1.00 ATOM 637 CB ALA 75 3.388 1.803 -3.142 1.00 1.00 ATOM 638 N SER 76 1.809 3.593 -5.131 1.00 1.00 ATOM 639 CA SER 76 1.075 4.814 -5.434 1.00 1.00 ATOM 640 C SER 76 -0.288 4.517 -6.057 1.00 1.00 ATOM 641 O SER 76 -1.307 5.064 -5.625 1.00 1.00 ATOM 642 HN SER 76 2.689 3.519 -5.600 1.00 1.00 ATOM 643 CB SER 76 1.882 5.718 -6.392 1.00 1.00 ATOM 644 OG SER 76 2.089 5.030 -7.631 1.00 1.00 ATOM 645 N ILE 77 -0.311 3.657 -7.073 1.00 1.00 ATOM 646 CA ILE 77 -1.571 3.310 -7.727 1.00 1.00 ATOM 647 C ILE 77 -2.485 2.600 -6.728 1.00 1.00 ATOM 648 O ILE 77 -3.697 2.807 -6.721 1.00 1.00 ATOM 649 HN ILE 77 0.488 3.197 -7.460 1.00 1.00 ATOM 650 CB ILE 77 -1.351 2.375 -8.931 1.00 1.00 ATOM 651 CG1 ILE 77 -0.728 1.056 -8.466 1.00 1.00 ATOM 652 CG2 ILE 77 -0.560 3.168 -9.974 1.00 1.00 ATOM 653 CD1 ILE 77 -0.761 0.026 -9.695 1.00 1.00 ATOM 654 N GLY 78 -1.890 1.763 -5.884 1.00 1.00 ATOM 655 CA GLY 78 -2.668 1.034 -4.889 1.00 1.00 ATOM 656 C GLY 78 -3.340 2.037 -3.965 1.00 1.00 ATOM 657 O GLY 78 -4.501 1.886 -3.589 1.00 1.00 ATOM 658 HN GLY 78 -0.909 1.568 -5.857 1.00 1.00 ATOM 659 N LEU 79 -2.600 3.076 -3.595 1.00 1.00 ATOM 660 CA LEU 79 -3.150 4.097 -2.723 1.00 1.00 ATOM 661 C LEU 79 -4.328 4.795 -3.398 1.00 1.00 ATOM 662 O LEU 79 -5.341 5.061 -2.755 1.00 1.00 ATOM 663 HN LEU 79 -1.652 3.241 -3.867 1.00 1.00 ATOM 664 CB LEU 79 -2.066 5.118 -2.376 1.00 1.00 ATOM 665 CG LEU 79 -2.509 6.188 -1.416 1.00 1.00 ATOM 666 CD1 LEU 79 -2.857 5.689 -0.048 1.00 1.00 ATOM 667 CD2 LEU 79 -1.295 7.230 -1.258 1.00 1.00 ATOM 668 N ALA 80 -4.187 5.098 -4.687 1.00 1.00 ATOM 669 CA ALA 80 -5.258 5.767 -5.431 1.00 1.00 ATOM 670 C ALA 80 -6.508 4.902 -5.449 1.00 1.00 ATOM 671 O ALA 80 -7.629 5.403 -5.314 1.00 1.00 ATOM 672 HN ALA 80 -3.373 4.902 -5.233 1.00 1.00 ATOM 673 CB ALA 80 -4.871 6.017 -6.891 1.00 1.00 ATOM 674 N ALA 81 -6.308 3.601 -5.638 1.00 1.00 ATOM 675 CA ALA 81 -7.437 2.680 -5.695 1.00 1.00 ATOM 676 C ALA 81 -8.189 2.659 -4.376 1.00 1.00 ATOM 677 O ALA 81 -9.420 2.666 -4.365 1.00 1.00 ATOM 678 HN ALA 81 -5.418 3.160 -5.752 1.00 1.00 ATOM 679 CB ALA 81 -6.960 1.287 -6.072 1.00 1.00 ATOM 680 N ILE 82 -7.459 2.641 -3.261 1.00 1.00 ATOM 681 CA ILE 82 -8.113 2.660 -1.947 1.00 1.00 ATOM 682 C ILE 82 -8.935 3.940 -1.707 1.00 1.00 ATOM 683 O ILE 82 -10.083 3.845 -1.225 1.00 1.00 ATOM 684 HN ILE 82 -6.460 2.613 -3.217 1.00 1.00 ATOM 685 CB ILE 82 -7.132 2.346 -0.822 1.00 1.00 ATOM 686 CG1 ILE 82 -6.422 1.037 -0.956 1.00 1.00 ATOM 687 CG2 ILE 82 -7.887 2.496 0.506 1.00 1.00 ATOM 688 CD1 ILE 82 -7.310 -0.195 -0.992 1.00 1.00 ATOM 689 N ASN 83 -8.376 5.119 -2.008 1.00 1.00 ATOM 690 CA ASN 83 -9.061 6.411 -1.987 1.00 1.00 ATOM 691 C ASN 83 -10.318 6.400 -2.772 1.00 1.00 ATOM 692 O ASN 83 -11.393 6.658 -2.240 1.00 1.00 ATOM 693 HN ASN 83 -7.414 5.173 -2.275 1.00 1.00 ATOM 694 CB ASN 83 -8.192 7.514 -2.525 1.00 1.00 ATOM 695 CG ASN 83 -6.899 7.977 -1.846 1.00 1.00 ATOM 696 OD1 ASN 83 -7.007 7.517 -0.474 1.00 1.00 ATOM 697 ND2 ASN 83 -6.212 8.851 -2.125 1.00 1.00 ATOM 698 N ALA 84 -10.229 5.939 -4.028 1.00 1.00 ATOM 699 CA ALA 84 -11.402 5.936 -4.875 1.00 1.00 ATOM 700 C ALA 84 -12.422 4.945 -4.461 1.00 1.00 ATOM 701 O ALA 84 -13.632 5.209 -4.512 1.00 1.00 ATOM 702 HN ALA 84 -9.407 5.580 -4.469 1.00 1.00 ATOM 703 CB ALA 84 -10.931 5.684 -6.353 1.00 1.00 ATOM 704 N TYR 85 -11.966 3.775 -4.025 1.00 1.00 ATOM 705 CA TYR 85 -12.862 2.706 -3.576 1.00 1.00 ATOM 706 C TYR 85 -13.805 3.215 -2.479 1.00 1.00 ATOM 707 O TYR 85 -14.999 2.922 -2.482 1.00 1.00 ATOM 708 HN TYR 85 -10.995 3.542 -3.972 1.00 1.00 ATOM 709 CB TYR 85 -12.034 1.526 -3.045 1.00 1.00 ATOM 710 CG TYR 85 -11.169 0.819 -4.089 1.00 1.00 ATOM 711 CD1 TYR 85 -11.588 0.785 -5.438 1.00 1.00 ATOM 712 CD2 TYR 85 -10.297 -0.190 -3.715 1.00 1.00 ATOM 713 CE1 TYR 85 -10.947 0.005 -6.393 1.00 1.00 ATOM 714 CE2 TYR 85 -9.671 -1.017 -4.634 1.00 1.00 ATOM 715 CZ TYR 85 -10.009 -0.919 -5.967 1.00 1.00 ATOM 716 OH TYR 85 -9.452 -1.765 -6.893 1.00 1.00 ATOM 717 N TYR 86 -13.260 3.976 -1.543 1.00 1.00 ATOM 718 CA TYR 86 -14.042 4.530 -0.454 1.00 1.00 ATOM 719 C TYR 86 -15.221 5.352 -0.982 1.00 1.00 ATOM 720 O TYR 86 -16.310 5.334 -0.410 1.00 1.00 ATOM 721 HN TYR 86 -12.291 4.223 -1.514 1.00 1.00 ATOM 722 CB TYR 86 -13.158 5.422 0.407 1.00 1.00 ATOM 723 CG TYR 86 -13.852 5.999 1.617 1.00 1.00 ATOM 724 CD1 TYR 86 -14.034 5.230 2.792 1.00 1.00 ATOM 725 CD2 TYR 86 -14.699 7.105 1.514 1.00 1.00 ATOM 726 CE1 TYR 86 -14.811 5.654 3.863 1.00 1.00 ATOM 727 CE2 TYR 86 -15.521 7.532 2.545 1.00 1.00 ATOM 728 CZ TYR 86 -15.577 6.796 3.709 1.00 1.00 ATOM 729 OH TYR 86 -16.428 7.158 4.725 1.00 1.00 ATOM 730 N ASN 87 -15.000 6.079 -2.068 1.00 1.00 ATOM 731 CA ASN 87 -16.058 6.893 -2.651 1.00 1.00 ATOM 732 C ASN 87 -17.046 6.041 -3.432 1.00 1.00 ATOM 733 O ASN 87 -18.248 6.276 -3.395 1.00 1.00 ATOM 734 HN ASN 87 -14.131 6.130 -2.559 1.00 1.00 ATOM 735 CB ASN 87 -15.477 7.967 -3.589 1.00 1.00 ATOM 736 CG ASN 87 -14.637 8.954 -2.788 1.00 1.00 ATOM 737 OD1 ASN 87 -15.083 9.793 -2.085 1.00 1.00 ATOM 738 ND2 ASN 87 -13.297 8.822 -3.002 1.00 1.00 ATOM 739 N ASN 88 -16.526 5.042 -4.146 1.00 1.00 ATOM 740 CA ASN 88 -17.350 4.136 -4.980 1.00 1.00 ATOM 741 C ASN 88 -18.325 3.369 -4.107 1.00 1.00 ATOM 742 O ASN 88 -17.892 2.605 -3.250 1.00 1.00 ATOM 743 HN ASN 88 -15.548 4.837 -4.167 1.00 1.00 ATOM 744 CB ASN 88 -16.453 3.156 -5.751 1.00 1.00 ATOM 745 CG ASN 88 -15.528 3.858 -6.797 1.00 1.00 ATOM 746 OD1 ASN 88 -15.887 4.986 -7.144 1.00 1.00 ATOM 747 ND2 ASN 88 -14.554 3.154 -7.218 1.00 1.00 ATOM 748 N PRO 89 -19.636 3.577 -4.310 1.00 1.00 ATOM 749 CA PRO 89 -20.733 2.964 -3.564 1.00 1.00 ATOM 750 C PRO 89 -20.591 1.454 -3.387 1.00 1.00 ATOM 751 O PRO 89 -21.004 0.920 -2.351 1.00 1.00 ATOM 752 CB PRO 89 -21.968 3.270 -4.420 1.00 1.00 ATOM 753 CG PRO 89 -21.518 4.040 -5.610 1.00 1.00 ATOM 754 CD PRO 89 -20.370 4.918 -4.966 1.00 1.00 ATOM 755 N GLN 90 -20.007 0.757 -4.364 1.00 1.00 ATOM 756 CA GLN 90 -19.892 -0.697 -4.272 1.00 1.00 ATOM 757 C GLN 90 -18.854 -1.153 -3.250 1.00 1.00 ATOM 758 O GLN 90 -19.021 -2.149 -2.534 1.00 1.00 ATOM 759 HN GLN 90 -19.617 1.143 -5.200 1.00 1.00 ATOM 760 CB GLN 90 -19.526 -1.278 -5.649 1.00 1.00 ATOM 761 CG GLN 90 -19.455 -2.797 -5.665 1.00 1.00 ATOM 762 CD GLN 90 -20.936 -3.354 -5.374 1.00 1.00 ATOM 763 OE1 GLN 90 -21.891 -3.088 -6.108 1.00 1.00 ATOM 764 NE2 GLN 90 -21.059 -4.111 -4.302 1.00 1.00 ATOM 765 N VAL 91 -17.747 -0.420 -3.200 1.00 1.00 ATOM 766 CA VAL 91 -16.720 -0.685 -2.168 1.00 1.00 ATOM 767 C VAL 91 -17.213 -0.259 -0.813 1.00 1.00 ATOM 768 O VAL 91 -17.063 -0.954 0.203 1.00 1.00 ATOM 769 HN VAL 91 -17.518 0.333 -3.817 1.00 1.00 ATOM 770 CB VAL 91 -15.410 0.021 -2.581 1.00 1.00 ATOM 771 CG1 VAL 91 -14.835 -0.442 -3.928 1.00 1.00 ATOM 772 CG2 VAL 91 -14.354 -0.093 -1.497 1.00 1.00 ATOM 773 N ALA 92 -17.890 0.880 -0.688 1.00 1.00 ATOM 774 CA ALA 92 -18.521 1.229 0.589 1.00 1.00 ATOM 775 C ALA 92 -19.499 0.152 1.021 1.00 1.00 ATOM 776 O ALA 92 -19.440 -0.317 2.154 1.00 1.00 ATOM 777 HN ALA 92 -18.023 1.562 -1.407 1.00 1.00 ATOM 778 CB ALA 92 -19.206 2.606 0.454 1.00 1.00 ATOM 779 N ARG 93 -20.366 -0.307 0.118 1.00 1.00 ATOM 780 CA ARG 93 -21.299 -1.356 0.542 1.00 1.00 ATOM 781 C ARG 93 -20.547 -2.581 1.045 1.00 1.00 ATOM 782 O ARG 93 -20.837 -3.114 2.119 1.00 1.00 ATOM 783 HN ARG 93 -20.473 -0.029 -0.837 1.00 1.00 ATOM 784 CB ARG 93 -22.193 -1.779 -0.634 1.00 1.00 ATOM 785 CG ARG 93 -23.214 -0.787 -1.208 1.00 1.00 ATOM 786 CD ARG 93 -23.898 -1.414 -2.266 1.00 1.00 ATOM 787 NE ARG 93 -24.853 -0.437 -2.777 1.00 1.00 ATOM 788 CZ ARG 93 -25.681 -0.682 -3.790 1.00 1.00 ATOM 789 NH1 ARG 93 -25.600 -1.844 -4.440 1.00 1.00 ATOM 790 NH2 ARG 93 -26.528 0.273 -4.157 1.00 1.00 ATOM 791 N GLU 94 -19.578 -3.027 0.252 1.00 1.00 ATOM 792 CA GLU 94 -18.784 -4.201 0.601 1.00 1.00 ATOM 793 C GLU 94 -17.994 -4.018 1.894 1.00 1.00 ATOM 794 O GLU 94 -17.617 -4.997 2.535 1.00 1.00 ATOM 795 HN GLU 94 -19.323 -2.608 -0.620 1.00 1.00 ATOM 796 CB GLU 94 -17.809 -4.547 -0.532 1.00 1.00 ATOM 797 CG GLU 94 -18.458 -5.138 -1.774 1.00 1.00 ATOM 798 CD GLU 94 -17.617 -5.454 -2.978 1.00 1.00 ATOM 799 OE1 GLU 94 -16.468 -5.128 -3.095 1.00 1.00 ATOM 800 OE2 GLU 94 -18.180 -6.096 -3.883 1.00 1.00 ATOM 801 N HIS 95 -17.748 -2.768 2.275 1.00 1.00 ATOM 802 CA HIS 95 -16.992 -2.488 3.492 1.00 1.00 ATOM 803 C HIS 95 -17.810 -1.859 4.629 1.00 1.00 ATOM 804 O HIS 95 -17.260 -1.291 5.576 1.00 1.00 ATOM 805 HN HIS 95 -18.044 -1.949 1.784 1.00 1.00 ATOM 806 CB HIS 95 -15.779 -1.620 3.147 1.00 1.00 ATOM 807 CG HIS 95 -14.767 -2.332 2.247 1.00 1.00 ATOM 808 ND1 HIS 95 -13.987 -3.389 2.720 1.00 1.00 ATOM 809 CD2 HIS 95 -14.494 -2.087 0.971 1.00 1.00 ATOM 810 CE1 HIS 95 -13.210 -3.839 1.682 1.00 1.00 ATOM 811 NE2 HIS 95 -13.513 -3.031 0.590 1.00 1.00 TER END