USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot 177:sc= -0.965 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.0843 K(o=-5,f=-9!) USER MOD Set 1.3: A 126 ASN : amide:sc= -4.13! C(o=-5!,f=-6.3!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0.604 (180deg=0.545) USER MOD Single : A 9 ASN : amide:sc= 0.0715 K(o=0.071,f=-0.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.3!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 116:sc= 0.243 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.228 USER MOD Single : A 87 ASN : amide:sc= -0.551 X(o=-0.55,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 163:sc= -0.094 (180deg=-0.454) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot -169:sc= -0.142 USER MOD Single : A 109 THR OG1 : rot 35:sc= 0.337 USER MOD Single : A 112 ASN : amide:sc= -0.0442 K(o=-0.044,f=-0.96) USER MOD Single : A 116 TYR OH : rot 5:sc= 1.06 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 27:sc= 0.247 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -105.945 80.971 27.597 1.00 40.34 N ATOM 35 CA ALA A 3 -104.543 80.886 27.956 1.00 60.21 C ATOM 36 C ALA A 3 -104.421 80.139 29.277 1.00 73.11 C ATOM 37 O ALA A 3 -104.164 80.730 30.330 1.00 31.32 O ATOM 38 CB ALA A 3 -103.925 82.279 28.030 1.00 64.43 C ATOM 0 HA ALA A 3 -103.993 80.337 27.192 1.00 60.21 H new ATOM 0 HB1 ALA A 3 -102.872 82.196 28.301 1.00 64.43 H new ATOM 0 HB2 ALA A 3 -104.013 82.768 27.060 1.00 64.43 H new ATOM 0 HB3 ALA A 3 -104.448 82.869 28.782 1.00 64.43 H new ATOM 44 N ARG A 4 -104.676 78.837 29.221 1.00 34.54 N ATOM 45 CA ARG A 4 -104.786 78.013 30.422 1.00 25.42 C ATOM 46 C ARG A 4 -104.049 76.697 30.269 1.00 22.41 C ATOM 47 O ARG A 4 -104.120 76.064 29.213 1.00 34.40 O ATOM 48 CB ARG A 4 -106.258 77.705 30.739 1.00 3.21 C ATOM 49 CG ARG A 4 -107.055 78.872 31.299 1.00 61.31 C ATOM 50 CD ARG A 4 -106.522 79.347 32.651 1.00 45.33 C ATOM 51 NE ARG A 4 -106.377 78.248 33.620 1.00 24.42 N ATOM 52 CZ ARG A 4 -107.368 77.767 34.383 1.00 3.05 C ATOM 53 NH1 ARG A 4 -108.588 78.283 34.326 1.00 73.22 N ATOM 54 NH2 ARG A 4 -107.122 76.753 35.200 1.00 45.44 N ATOM 0 H ARG A 4 -104.812 78.324 28.350 1.00 34.54 H new ATOM 0 HA ARG A 4 -104.337 78.584 31.234 1.00 25.42 H new ATOM 0 HB2 ARG A 4 -106.745 77.357 29.828 1.00 3.21 H new ATOM 0 HB3 ARG A 4 -106.295 76.883 31.454 1.00 3.21 H new ATOM 0 HG2 ARG A 4 -107.029 79.700 30.590 1.00 61.31 H new ATOM 0 HG3 ARG A 4 -108.099 78.577 31.406 1.00 61.31 H new ATOM 0 HD2 ARG A 4 -105.555 79.830 32.507 1.00 45.33 H new ATOM 0 HD3 ARG A 4 -107.196 80.100 33.059 1.00 45.33 H new ATOM 0 HE ARG A 4 -105.455 77.822 33.718 1.00 24.42 H new ATOM 0 HH11 ARG A 4 -108.785 79.059 33.694 1.00 73.22 H new ATOM 0 HH12 ARG A 4 -109.330 77.904 34.914 1.00 73.22 H new ATOM 0 HH21 ARG A 4 -106.187 76.348 35.243 1.00 45.44 H new ATOM 0 HH22 ARG A 4 -107.868 76.378 35.786 1.00 45.44 H new ATOM 68 N ASP A 5 -103.356 76.288 31.327 1.00 45.22 N ATOM 69 CA ASP A 5 -102.770 74.958 31.402 1.00 23.11 C ATOM 70 C ASP A 5 -102.745 74.491 32.857 1.00 14.34 C ATOM 71 O ASP A 5 -102.269 75.189 33.757 1.00 4.55 O ATOM 72 CB ASP A 5 -101.365 74.893 30.744 1.00 64.10 C ATOM 73 CG ASP A 5 -100.295 75.716 31.436 1.00 75.13 C ATOM 74 OD1 ASP A 5 -100.196 76.929 31.168 1.00 43.13 O ATOM 75 OD2 ASP A 5 -99.529 75.139 32.228 1.00 3.32 O ATOM 0 H ASP A 5 -103.187 76.866 32.150 1.00 45.22 H new ATOM 0 HA ASP A 5 -103.395 74.275 30.827 1.00 23.11 H new ATOM 0 HB2 ASP A 5 -101.041 73.853 30.716 1.00 64.10 H new ATOM 0 HB3 ASP A 5 -101.448 75.228 29.710 1.00 64.10 H new ATOM 80 N ASN A 6 -103.338 73.335 33.083 1.00 45.12 N ATOM 81 CA ASN A 6 -103.357 72.703 34.393 1.00 43.12 C ATOM 82 C ASN A 6 -102.273 71.634 34.429 1.00 51.04 C ATOM 83 O ASN A 6 -102.193 70.805 33.522 1.00 51.13 O ATOM 84 CB ASN A 6 -104.745 72.086 34.659 1.00 42.14 C ATOM 85 CG ASN A 6 -104.875 71.395 36.008 1.00 60.05 C ATOM 86 OD1 ASN A 6 -104.289 71.809 37.007 1.00 74.11 O ATOM 87 ND2 ASN A 6 -105.632 70.316 36.035 1.00 32.31 N ATOM 0 H ASN A 6 -103.824 72.803 32.361 1.00 45.12 H new ATOM 0 HA ASN A 6 -103.163 73.441 35.172 1.00 43.12 H new ATOM 0 HB2 ASN A 6 -105.498 72.872 34.592 1.00 42.14 H new ATOM 0 HB3 ASN A 6 -104.966 71.365 33.872 1.00 42.14 H new ATOM 0 HD21 ASN A 6 -105.747 69.795 36.904 1.00 32.31 H new ATOM 0 HD22 ASN A 6 -106.103 70.002 35.186 1.00 32.31 H new ATOM 94 N LYS A 7 -101.431 71.668 35.454 1.00 52.11 N ATOM 95 CA LYS A 7 -100.341 70.714 35.568 1.00 75.21 C ATOM 96 C LYS A 7 -100.162 70.261 37.011 1.00 3.32 C ATOM 97 O LYS A 7 -100.576 70.939 37.957 1.00 10.41 O ATOM 98 CB LYS A 7 -99.016 71.292 35.009 1.00 2.31 C ATOM 99 CG LYS A 7 -98.283 72.296 35.905 1.00 42.24 C ATOM 100 CD LYS A 7 -98.253 73.703 35.329 1.00 35.03 C ATOM 101 CE LYS A 7 -99.536 74.460 35.609 1.00 33.10 C ATOM 102 NZ LYS A 7 -99.479 75.852 35.109 1.00 14.13 N ATOM 0 H LYS A 7 -101.483 72.345 36.215 1.00 52.11 H new ATOM 0 HA LYS A 7 -100.605 69.845 34.965 1.00 75.21 H new ATOM 0 HB2 LYS A 7 -98.341 70.462 34.802 1.00 2.31 H new ATOM 0 HB3 LYS A 7 -99.229 71.776 34.056 1.00 2.31 H new ATOM 0 HG2 LYS A 7 -98.765 72.321 36.882 1.00 42.24 H new ATOM 0 HG3 LYS A 7 -97.260 71.953 36.063 1.00 42.24 H new ATOM 0 HD2 LYS A 7 -97.410 74.250 35.752 1.00 35.03 H new ATOM 0 HD3 LYS A 7 -98.091 73.650 34.252 1.00 35.03 H new ATOM 0 HE2 LYS A 7 -100.373 73.941 35.141 1.00 33.10 H new ATOM 0 HE3 LYS A 7 -99.725 74.468 36.682 1.00 33.10 H new ATOM 0 HZ1 LYS A 7 -100.308 76.378 35.452 1.00 14.13 H new ATOM 0 HZ2 LYS A 7 -98.611 76.310 35.454 1.00 14.13 H new ATOM 0 HZ3 LYS A 7 -99.478 75.848 34.069 1.00 14.13 H new ATOM 116 N PHE A 8 -99.551 69.095 37.154 1.00 74.34 N ATOM 117 CA PHE A 8 -99.176 68.550 38.451 1.00 55.35 C ATOM 118 C PHE A 8 -97.670 68.299 38.460 1.00 62.31 C ATOM 119 O PHE A 8 -97.197 67.272 38.957 1.00 32.40 O ATOM 120 CB PHE A 8 -99.953 67.252 38.740 1.00 73.14 C ATOM 121 CG PHE A 8 -101.401 67.456 39.106 1.00 33.13 C ATOM 122 CD1 PHE A 8 -102.369 67.636 38.129 1.00 43.04 C ATOM 123 CD2 PHE A 8 -101.794 67.460 40.433 1.00 34.00 C ATOM 124 CE1 PHE A 8 -103.692 67.818 38.470 1.00 62.14 C ATOM 125 CE2 PHE A 8 -103.117 67.642 40.779 1.00 54.25 C ATOM 126 CZ PHE A 8 -104.067 67.822 39.796 1.00 54.31 C ATOM 0 H PHE A 8 -99.299 68.496 36.368 1.00 74.34 H new ATOM 0 HA PHE A 8 -99.429 69.263 39.236 1.00 55.35 H new ATOM 0 HB2 PHE A 8 -99.901 66.610 37.861 1.00 73.14 H new ATOM 0 HB3 PHE A 8 -99.458 66.721 39.553 1.00 73.14 H new ATOM 0 HD1 PHE A 8 -102.082 67.634 37.088 1.00 43.04 H new ATOM 0 HD2 PHE A 8 -101.055 67.319 41.208 1.00 34.00 H new ATOM 0 HE1 PHE A 8 -104.435 67.957 37.698 1.00 62.14 H new ATOM 0 HE2 PHE A 8 -103.408 67.643 41.819 1.00 54.25 H new ATOM 0 HZ PHE A 8 -105.103 67.966 40.065 1.00 54.31 H new ATOM 136 N ASN A 9 -96.931 69.279 37.910 1.00 13.15 N ATOM 137 CA ASN A 9 -95.475 69.207 37.751 1.00 13.01 C ATOM 138 C ASN A 9 -94.791 69.114 39.108 1.00 1.42 C ATOM 139 O ASN A 9 -94.877 70.022 39.936 1.00 63.52 O ATOM 140 CB ASN A 9 -94.978 70.428 36.967 1.00 61.52 C ATOM 141 CG ASN A 9 -93.507 70.356 36.592 1.00 34.14 C ATOM 142 OD1 ASN A 9 -92.923 69.276 36.463 1.00 40.24 O ATOM 143 ND2 ASN A 9 -92.907 71.510 36.386 1.00 22.01 N ATOM 0 H ASN A 9 -97.335 70.149 37.562 1.00 13.15 H new ATOM 0 HA ASN A 9 -95.223 68.307 37.190 1.00 13.01 H new ATOM 0 HB2 ASN A 9 -95.571 70.531 36.058 1.00 61.52 H new ATOM 0 HB3 ASN A 9 -95.149 71.325 37.562 1.00 61.52 H new ATOM 0 HD21 ASN A 9 -91.925 71.532 36.110 1.00 22.01 H new ATOM 0 HD22 ASN A 9 -93.424 72.382 36.503 1.00 22.01 H new ATOM 150 N THR A 10 -94.127 67.992 39.315 1.00 23.01 N ATOM 151 CA THR A 10 -93.680 67.592 40.636 1.00 33.44 C ATOM 152 C THR A 10 -92.222 67.993 40.923 1.00 5.41 C ATOM 153 O THR A 10 -91.904 68.333 42.069 1.00 14.33 O ATOM 154 CB THR A 10 -93.903 66.060 40.825 1.00 11.44 C ATOM 155 OG1 THR A 10 -93.431 65.615 42.101 1.00 54.04 O ATOM 156 CG2 THR A 10 -93.247 65.236 39.717 1.00 4.24 C ATOM 0 H THR A 10 -93.883 67.334 38.575 1.00 23.01 H new ATOM 0 HA THR A 10 -94.281 68.133 41.367 1.00 33.44 H new ATOM 0 HB THR A 10 -94.980 65.902 40.771 1.00 11.44 H new ATOM 0 HG1 THR A 10 -93.586 64.651 42.189 1.00 54.04 H new ATOM 0 HG21 THR A 10 -93.431 64.176 39.894 1.00 4.24 H new ATOM 0 HG22 THR A 10 -93.669 65.521 38.753 1.00 4.24 H new ATOM 0 HG23 THR A 10 -92.173 65.422 39.713 1.00 4.24 H new ATOM 164 N TRP A 11 -91.359 67.971 39.873 1.00 0.32 N ATOM 165 CA TRP A 11 -89.900 68.209 39.986 1.00 74.13 C ATOM 166 C TRP A 11 -89.229 67.276 41.005 1.00 44.53 C ATOM 167 O TRP A 11 -88.248 67.642 41.656 1.00 31.44 O ATOM 168 CB TRP A 11 -89.577 69.677 40.320 1.00 12.33 C ATOM 169 CG TRP A 11 -89.714 70.624 39.163 1.00 10.24 C ATOM 170 CD1 TRP A 11 -90.416 71.788 39.150 1.00 15.03 C ATOM 171 CD2 TRP A 11 -89.133 70.493 37.852 1.00 71.44 C ATOM 172 NE1 TRP A 11 -90.289 72.403 37.932 1.00 4.03 N ATOM 173 CE2 TRP A 11 -89.517 71.623 37.113 1.00 71.21 C ATOM 174 CE3 TRP A 11 -88.320 69.532 37.232 1.00 74.31 C ATOM 175 CZ2 TRP A 11 -89.128 71.823 35.792 1.00 61.13 C ATOM 176 CZ3 TRP A 11 -87.936 69.732 35.921 1.00 35.34 C ATOM 177 CH2 TRP A 11 -88.338 70.870 35.216 1.00 73.42 C ATOM 0 H TRP A 11 -91.662 67.786 38.917 1.00 0.32 H new ATOM 0 HA TRP A 11 -89.487 67.982 39.003 1.00 74.13 H new ATOM 0 HB2 TRP A 11 -90.236 70.007 41.123 1.00 12.33 H new ATOM 0 HB3 TRP A 11 -88.557 69.734 40.701 1.00 12.33 H new ATOM 0 HD1 TRP A 11 -90.991 72.172 39.980 1.00 15.03 H new ATOM 0 HE1 TRP A 11 -90.704 73.299 37.676 1.00 4.03 H new ATOM 0 HE3 TRP A 11 -88.000 68.652 37.770 1.00 74.31 H new ATOM 0 HZ2 TRP A 11 -89.439 72.699 35.243 1.00 61.13 H new ATOM 0 HZ3 TRP A 11 -87.314 68.997 35.432 1.00 35.34 H new ATOM 0 HH2 TRP A 11 -88.017 70.998 34.193 1.00 73.42 H new ATOM 188 N ASN A 12 -89.731 66.055 41.096 1.00 62.31 N ATOM 189 CA ASN A 12 -89.247 65.097 42.078 1.00 72.20 C ATOM 190 C ASN A 12 -88.706 63.857 41.353 1.00 12.05 C ATOM 191 O ASN A 12 -88.845 62.716 41.804 1.00 52.32 O ATOM 192 CB ASN A 12 -90.380 64.759 43.059 1.00 54.33 C ATOM 193 CG ASN A 12 -89.893 64.223 44.388 1.00 41.44 C ATOM 194 OD1 ASN A 12 -88.797 64.551 44.845 1.00 51.40 O ATOM 195 ND2 ASN A 12 -90.707 63.404 45.019 1.00 24.54 N ATOM 0 H ASN A 12 -90.478 65.702 40.498 1.00 62.31 H new ATOM 0 HA ASN A 12 -88.427 65.519 42.659 1.00 72.20 H new ATOM 0 HB2 ASN A 12 -90.976 65.655 43.235 1.00 54.33 H new ATOM 0 HB3 ASN A 12 -91.039 64.022 42.599 1.00 54.33 H new ATOM 0 HD21 ASN A 12 -90.439 63.015 45.923 1.00 24.54 H new ATOM 0 HD22 ASN A 12 -91.606 63.159 44.604 1.00 24.54 H new ATOM 202 N ASP A 13 -88.054 64.121 40.226 1.00 23.32 N ATOM 203 CA ASP A 13 -87.491 63.091 39.364 1.00 63.12 C ATOM 204 C ASP A 13 -85.996 62.844 39.658 1.00 21.42 C ATOM 205 O ASP A 13 -85.279 62.248 38.847 1.00 2.40 O ATOM 206 CB ASP A 13 -87.709 63.470 37.883 1.00 32.51 C ATOM 207 CG ASP A 13 -87.062 64.794 37.484 1.00 60.32 C ATOM 208 OD1 ASP A 13 -87.615 65.867 37.820 1.00 12.23 O ATOM 209 OD2 ASP A 13 -85.996 64.767 36.852 1.00 62.44 O ATOM 0 H ASP A 13 -87.900 65.069 39.882 1.00 23.32 H new ATOM 0 HA ASP A 13 -88.011 62.156 39.572 1.00 63.12 H new ATOM 0 HB2 ASP A 13 -87.309 62.676 37.252 1.00 32.51 H new ATOM 0 HB3 ASP A 13 -88.780 63.525 37.686 1.00 32.51 H new ATOM 214 N SER A 14 -85.532 63.269 40.828 1.00 14.11 N ATOM 215 CA SER A 14 -84.166 62.991 41.249 1.00 33.42 C ATOM 216 C SER A 14 -84.109 61.724 42.102 1.00 21.44 C ATOM 217 O SER A 14 -84.475 61.733 43.280 1.00 71.42 O ATOM 218 CB SER A 14 -83.575 64.164 42.038 1.00 32.14 C ATOM 219 OG SER A 14 -83.474 65.330 41.244 1.00 62.13 O ATOM 0 H SER A 14 -86.081 63.806 41.499 1.00 14.11 H new ATOM 0 HA SER A 14 -83.573 62.844 40.346 1.00 33.42 H new ATOM 0 HB2 SER A 14 -84.199 64.369 42.908 1.00 32.14 H new ATOM 0 HB3 SER A 14 -82.588 63.891 42.411 1.00 32.14 H new ATOM 0 HG SER A 14 -83.095 66.058 41.779 1.00 62.13 H new ATOM 225 N ARG A 15 -83.689 60.628 41.478 1.00 70.43 N ATOM 226 CA ARG A 15 -83.353 59.406 42.199 1.00 3.43 C ATOM 227 C ARG A 15 -82.213 58.689 41.472 1.00 51.03 C ATOM 228 O ARG A 15 -82.370 58.194 40.351 1.00 73.12 O ATOM 229 CB ARG A 15 -84.591 58.482 42.482 1.00 4.41 C ATOM 230 CG ARG A 15 -85.227 57.705 41.320 1.00 14.35 C ATOM 231 CD ARG A 15 -86.246 58.509 40.525 1.00 12.33 C ATOM 232 NE ARG A 15 -85.647 59.261 39.421 1.00 42.20 N ATOM 233 CZ ARG A 15 -85.668 58.874 38.135 1.00 44.31 C ATOM 234 NH1 ARG A 15 -86.219 57.718 37.776 1.00 71.25 N ATOM 235 NH2 ARG A 15 -85.107 59.647 37.211 1.00 44.22 N ATOM 0 H ARG A 15 -83.573 60.562 40.467 1.00 70.43 H new ATOM 0 HA ARG A 15 -83.007 59.682 43.195 1.00 3.43 H new ATOM 0 HB2 ARG A 15 -84.292 57.756 43.238 1.00 4.41 H new ATOM 0 HB3 ARG A 15 -85.369 59.103 42.926 1.00 4.41 H new ATOM 0 HG2 ARG A 15 -84.439 57.368 40.646 1.00 14.35 H new ATOM 0 HG3 ARG A 15 -85.712 56.812 41.715 1.00 14.35 H new ATOM 0 HD2 ARG A 15 -87.004 57.833 40.128 1.00 12.33 H new ATOM 0 HD3 ARG A 15 -86.756 59.202 41.194 1.00 12.33 H new ATOM 0 HE ARG A 15 -85.181 60.141 39.644 1.00 42.20 H new ATOM 0 HH11 ARG A 15 -86.634 57.110 38.482 1.00 71.25 H new ATOM 0 HH12 ARG A 15 -86.226 57.439 36.795 1.00 71.25 H new ATOM 0 HH21 ARG A 15 -84.665 60.526 37.481 1.00 44.22 H new ATOM 0 HH22 ARG A 15 -85.118 59.361 36.232 1.00 44.22 H new ATOM 249 N GLY A 16 -81.039 58.707 42.090 1.00 62.44 N ATOM 250 CA GLY A 16 -79.861 58.171 41.441 1.00 45.34 C ATOM 251 C GLY A 16 -78.804 57.677 42.403 1.00 12.04 C ATOM 252 O GLY A 16 -77.808 58.362 42.644 1.00 44.31 O ATOM 0 H GLY A 16 -80.883 59.082 43.026 1.00 62.44 H new ATOM 0 HA2 GLY A 16 -80.159 57.349 40.790 1.00 45.34 H new ATOM 0 HA3 GLY A 16 -79.427 58.941 40.803 1.00 45.34 H new ATOM 256 N ASN A 17 -79.017 56.494 42.957 1.00 0.11 N ATOM 257 CA ASN A 17 -78.002 55.848 43.776 1.00 22.35 C ATOM 258 C ASN A 17 -77.400 54.684 42.996 1.00 61.25 C ATOM 259 O ASN A 17 -78.093 54.013 42.228 1.00 61.11 O ATOM 260 CB ASN A 17 -78.564 55.382 45.136 1.00 1.22 C ATOM 261 CG ASN A 17 -79.572 54.249 45.058 1.00 11.24 C ATOM 262 OD1 ASN A 17 -79.217 53.080 45.134 1.00 3.32 O ATOM 263 ND2 ASN A 17 -80.836 54.593 44.896 1.00 75.13 N ATOM 0 H ASN A 17 -79.881 55.962 42.855 1.00 0.11 H new ATOM 0 HA ASN A 17 -77.222 56.575 44.002 1.00 22.35 H new ATOM 0 HB2 ASN A 17 -77.733 55.067 45.767 1.00 1.22 H new ATOM 0 HB3 ASN A 17 -79.034 56.233 45.629 1.00 1.22 H new ATOM 0 HD21 ASN A 17 -81.556 53.873 44.830 1.00 75.13 H new ATOM 0 HD22 ASN A 17 -81.093 55.578 44.837 1.00 75.13 H new ATOM 270 N TYR A 18 -76.107 54.465 43.172 1.00 74.23 N ATOM 271 CA TYR A 18 -75.410 53.418 42.444 1.00 41.22 C ATOM 272 C TYR A 18 -74.323 52.791 43.297 1.00 41.24 C ATOM 273 O TYR A 18 -73.806 53.411 44.231 1.00 75.42 O ATOM 274 CB TYR A 18 -74.819 53.958 41.118 1.00 54.42 C ATOM 275 CG TYR A 18 -73.757 55.035 41.264 1.00 23.53 C ATOM 276 CD1 TYR A 18 -74.105 56.377 41.363 1.00 71.21 C ATOM 277 CD2 TYR A 18 -72.404 54.710 41.284 1.00 74.11 C ATOM 278 CE1 TYR A 18 -73.144 57.355 41.494 1.00 73.24 C ATOM 279 CE2 TYR A 18 -71.441 55.685 41.411 1.00 13.45 C ATOM 280 CZ TYR A 18 -71.814 57.003 41.511 1.00 34.21 C ATOM 281 OH TYR A 18 -70.850 57.970 41.641 1.00 14.24 O ATOM 0 H TYR A 18 -75.519 54.998 43.813 1.00 74.23 H new ATOM 0 HA TYR A 18 -76.139 52.645 42.200 1.00 41.22 H new ATOM 0 HB2 TYR A 18 -74.390 53.122 40.565 1.00 54.42 H new ATOM 0 HB3 TYR A 18 -75.634 54.356 40.513 1.00 54.42 H new ATOM 0 HD1 TYR A 18 -75.147 56.658 41.337 1.00 71.21 H new ATOM 0 HD2 TYR A 18 -72.105 53.676 41.198 1.00 74.11 H new ATOM 0 HE1 TYR A 18 -73.433 58.392 41.583 1.00 73.24 H new ATOM 0 HE2 TYR A 18 -70.396 55.415 41.432 1.00 13.45 H new ATOM 0 HH TYR A 18 -69.964 57.551 41.636 1.00 14.24 H new ATOM 291 N TRP A 19 -73.990 51.557 42.973 1.00 3.11 N ATOM 292 CA TRP A 19 -72.842 50.904 43.550 1.00 25.11 C ATOM 293 C TRP A 19 -71.972 50.370 42.419 1.00 32.11 C ATOM 294 O TRP A 19 -72.265 49.324 41.827 1.00 2.33 O ATOM 295 CB TRP A 19 -73.266 49.792 44.519 1.00 32.22 C ATOM 296 CG TRP A 19 -72.106 49.141 45.210 1.00 15.24 C ATOM 297 CD1 TRP A 19 -71.013 49.771 45.736 1.00 14.32 C ATOM 298 CD2 TRP A 19 -71.920 47.743 45.448 1.00 41.22 C ATOM 299 NE1 TRP A 19 -70.155 48.844 46.273 1.00 13.33 N ATOM 300 CE2 TRP A 19 -70.693 47.595 46.120 1.00 54.02 C ATOM 301 CE3 TRP A 19 -72.675 46.602 45.168 1.00 52.20 C ATOM 302 CZ2 TRP A 19 -70.196 46.350 46.500 1.00 52.11 C ATOM 303 CZ3 TRP A 19 -72.184 45.368 45.549 1.00 41.14 C ATOM 304 CH2 TRP A 19 -70.961 45.251 46.216 1.00 34.24 C ATOM 0 H TRP A 19 -74.508 50.985 42.305 1.00 3.11 H new ATOM 0 HA TRP A 19 -72.266 51.619 44.137 1.00 25.11 H new ATOM 0 HB2 TRP A 19 -73.940 50.208 45.268 1.00 32.22 H new ATOM 0 HB3 TRP A 19 -73.826 49.035 43.971 1.00 32.22 H new ATOM 0 HD1 TRP A 19 -70.849 50.838 45.730 1.00 14.32 H new ATOM 0 HE1 TRP A 19 -69.260 49.053 46.715 1.00 13.33 H new ATOM 0 HE3 TRP A 19 -73.626 46.683 44.663 1.00 52.20 H new ATOM 0 HZ2 TRP A 19 -69.243 46.256 47.000 1.00 52.11 H new ATOM 0 HZ3 TRP A 19 -72.755 44.478 45.328 1.00 41.14 H new ATOM 0 HH2 TRP A 19 -70.612 44.273 46.513 1.00 34.24 H new ATOM 315 N SER A 20 -70.941 51.127 42.080 1.00 2.40 N ATOM 316 CA SER A 20 -70.040 50.772 40.996 1.00 41.33 C ATOM 317 C SER A 20 -68.619 51.204 41.322 1.00 72.42 C ATOM 318 O SER A 20 -68.318 52.396 41.367 1.00 20.42 O ATOM 319 CB SER A 20 -70.483 51.431 39.680 1.00 3.41 C ATOM 320 OG SER A 20 -71.769 50.987 39.282 1.00 10.04 O ATOM 0 H SER A 20 -70.706 52.003 42.547 1.00 2.40 H new ATOM 0 HA SER A 20 -70.070 49.689 40.878 1.00 41.33 H new ATOM 0 HB2 SER A 20 -70.492 52.514 39.800 1.00 3.41 H new ATOM 0 HB3 SER A 20 -69.760 51.203 38.897 1.00 3.41 H new ATOM 0 HG SER A 20 -72.022 51.426 38.443 1.00 10.04 H new ATOM 326 N ASP A 21 -67.756 50.235 41.577 1.00 2.12 N ATOM 327 CA ASP A 21 -66.334 50.500 41.725 1.00 41.34 C ATOM 328 C ASP A 21 -65.632 50.139 40.436 1.00 12.13 C ATOM 329 O ASP A 21 -65.730 48.999 39.964 1.00 70.11 O ATOM 330 CB ASP A 21 -65.710 49.701 42.874 1.00 44.14 C ATOM 331 CG ASP A 21 -66.332 49.992 44.221 1.00 1.41 C ATOM 332 OD1 ASP A 21 -66.026 51.050 44.812 1.00 74.11 O ATOM 333 OD2 ASP A 21 -67.108 49.152 44.710 1.00 62.13 O ATOM 0 H ASP A 21 -68.016 49.255 41.686 1.00 2.12 H new ATOM 0 HA ASP A 21 -66.215 51.559 41.955 1.00 41.34 H new ATOM 0 HB2 ASP A 21 -65.808 48.637 42.660 1.00 44.14 H new ATOM 0 HB3 ASP A 21 -64.643 49.920 42.921 1.00 44.14 H new ATOM 338 N TYR A 22 -64.963 51.112 39.850 1.00 72.10 N ATOM 339 CA TYR A 22 -64.190 50.869 38.648 1.00 50.41 C ATOM 340 C TYR A 22 -62.752 50.505 39.015 1.00 32.42 C ATOM 341 O TYR A 22 -61.981 51.323 39.518 1.00 42.01 O ATOM 342 CB TYR A 22 -64.279 52.032 37.622 1.00 4.41 C ATOM 343 CG TYR A 22 -64.092 53.451 38.156 1.00 54.23 C ATOM 344 CD1 TYR A 22 -65.158 54.160 38.710 1.00 24.41 C ATOM 345 CD2 TYR A 22 -62.861 54.093 38.070 1.00 22.53 C ATOM 346 CE1 TYR A 22 -65.001 55.455 39.162 1.00 62.41 C ATOM 347 CE2 TYR A 22 -62.697 55.387 38.527 1.00 3.23 C ATOM 348 CZ TYR A 22 -63.769 56.063 39.071 1.00 44.34 C ATOM 349 OH TYR A 22 -63.611 57.357 39.521 1.00 62.22 O ATOM 0 H TYR A 22 -64.939 52.075 40.185 1.00 72.10 H new ATOM 0 HA TYR A 22 -64.631 50.015 38.133 1.00 50.41 H new ATOM 0 HB2 TYR A 22 -63.528 51.860 36.851 1.00 4.41 H new ATOM 0 HB3 TYR A 22 -65.253 51.980 37.136 1.00 4.41 H new ATOM 0 HD1 TYR A 22 -66.126 53.686 38.787 1.00 24.41 H new ATOM 0 HD2 TYR A 22 -62.019 53.572 37.639 1.00 22.53 H new ATOM 0 HE1 TYR A 22 -65.840 55.988 39.585 1.00 62.41 H new ATOM 0 HE2 TYR A 22 -61.732 55.867 38.458 1.00 3.23 H new ATOM 0 HH TYR A 22 -62.682 57.639 39.387 1.00 62.22 H new ATOM 848 N PRO A 59 -20.665 -2.620 14.924 1.00 3.22 N ATOM 849 CA PRO A 59 -19.791 -3.435 14.076 1.00 51.52 C ATOM 850 C PRO A 59 -18.574 -2.660 13.601 1.00 4.13 C ATOM 851 O PRO A 59 -18.671 -1.493 13.215 1.00 62.43 O ATOM 852 CB PRO A 59 -20.681 -3.857 12.901 1.00 51.45 C ATOM 853 CG PRO A 59 -21.825 -2.899 12.910 1.00 24.34 C ATOM 854 CD PRO A 59 -22.016 -2.493 14.341 1.00 23.53 C ATOM 0 HA PRO A 59 -19.385 -4.290 14.617 1.00 51.52 H new ATOM 0 HB2 PRO A 59 -20.136 -3.810 11.958 1.00 51.45 H new ATOM 0 HB3 PRO A 59 -21.027 -4.884 13.019 1.00 51.45 H new ATOM 0 HG2 PRO A 59 -21.613 -2.032 12.284 1.00 24.34 H new ATOM 0 HG3 PRO A 59 -22.727 -3.365 12.513 1.00 24.34 H new ATOM 0 HD2 PRO A 59 -22.392 -1.473 14.421 1.00 23.53 H new ATOM 0 HD3 PRO A 59 -22.733 -3.138 14.848 1.00 23.53 H new ATOM 862 N VAL A 60 -17.438 -3.314 13.663 1.00 55.43 N ATOM 863 CA VAL A 60 -16.164 -2.649 13.470 1.00 25.10 C ATOM 864 C VAL A 60 -15.865 -2.423 11.974 1.00 24.11 C ATOM 865 O VAL A 60 -15.974 -3.329 11.146 1.00 74.43 O ATOM 866 CB VAL A 60 -15.034 -3.437 14.201 1.00 4.40 C ATOM 867 CG1 VAL A 60 -14.856 -4.855 13.661 1.00 10.21 C ATOM 868 CG2 VAL A 60 -13.720 -2.671 14.182 1.00 34.33 C ATOM 0 H VAL A 60 -17.367 -4.315 13.847 1.00 55.43 H new ATOM 0 HA VAL A 60 -16.212 -1.656 13.917 1.00 25.10 H new ATOM 0 HB VAL A 60 -15.352 -3.537 15.239 1.00 4.40 H new ATOM 0 HG11 VAL A 60 -14.056 -5.355 14.208 1.00 10.21 H new ATOM 0 HG12 VAL A 60 -15.785 -5.412 13.787 1.00 10.21 H new ATOM 0 HG13 VAL A 60 -14.600 -4.812 12.602 1.00 10.21 H new ATOM 0 HG21 VAL A 60 -12.955 -3.249 14.700 1.00 34.33 H new ATOM 0 HG22 VAL A 60 -13.412 -2.503 13.150 1.00 34.33 H new ATOM 0 HG23 VAL A 60 -13.851 -1.712 14.682 1.00 34.33 H new ATOM 878 N LEU A 61 -15.563 -1.171 11.644 1.00 40.12 N ATOM 879 CA LEU A 61 -15.121 -0.789 10.310 1.00 0.13 C ATOM 880 C LEU A 61 -13.610 -1.092 10.178 1.00 51.51 C ATOM 881 O LEU A 61 -12.956 -1.293 11.195 1.00 13.23 O ATOM 882 CB LEU A 61 -15.483 0.711 9.969 1.00 20.33 C ATOM 883 CG LEU A 61 -15.374 1.850 11.044 1.00 22.40 C ATOM 884 CD1 LEU A 61 -16.530 1.819 12.037 1.00 43.20 C ATOM 885 CD2 LEU A 61 -14.042 1.842 11.785 1.00 31.10 C ATOM 0 H LEU A 61 -15.619 -0.391 12.298 1.00 40.12 H new ATOM 0 HA LEU A 61 -15.657 -1.381 9.568 1.00 0.13 H new ATOM 0 HB2 LEU A 61 -14.851 1.006 9.131 1.00 20.33 H new ATOM 0 HB3 LEU A 61 -16.512 0.714 9.609 1.00 20.33 H new ATOM 0 HG LEU A 61 -15.431 2.782 10.482 1.00 22.40 H new ATOM 0 HD11 LEU A 61 -16.410 2.626 12.760 1.00 43.20 H new ATOM 0 HD12 LEU A 61 -17.472 1.947 11.503 1.00 43.20 H new ATOM 0 HD13 LEU A 61 -16.536 0.862 12.559 1.00 43.20 H new ATOM 0 HD21 LEU A 61 -14.027 2.652 12.514 1.00 31.10 H new ATOM 0 HD22 LEU A 61 -13.917 0.889 12.298 1.00 31.10 H new ATOM 0 HD23 LEU A 61 -13.229 1.980 11.073 1.00 31.10 H new ATOM 897 N PRO A 62 -13.012 -1.152 8.966 1.00 61.23 N ATOM 898 CA PRO A 62 -11.615 -1.547 8.842 1.00 43.11 C ATOM 899 C PRO A 62 -10.621 -0.427 9.101 1.00 4.12 C ATOM 900 O PRO A 62 -10.983 0.721 9.390 1.00 43.14 O ATOM 901 CB PRO A 62 -11.484 -1.981 7.395 1.00 60.32 C ATOM 902 CG PRO A 62 -12.537 -1.241 6.648 1.00 4.44 C ATOM 903 CD PRO A 62 -13.609 -0.862 7.643 1.00 4.24 C ATOM 0 HA PRO A 62 -11.384 -2.312 9.583 1.00 43.11 H new ATOM 0 HB2 PRO A 62 -10.493 -1.748 7.006 1.00 60.32 H new ATOM 0 HB3 PRO A 62 -11.620 -3.058 7.297 1.00 60.32 H new ATOM 0 HG2 PRO A 62 -12.120 -0.352 6.175 1.00 4.44 H new ATOM 0 HG3 PRO A 62 -12.952 -1.861 5.853 1.00 4.44 H new ATOM 0 HD2 PRO A 62 -13.879 0.190 7.552 1.00 4.24 H new ATOM 0 HD3 PRO A 62 -14.519 -1.440 7.484 1.00 4.24 H new ATOM 911 N THR A 63 -9.363 -0.794 8.992 1.00 31.52 N ATOM 912 CA THR A 63 -8.261 0.124 9.069 1.00 24.11 C ATOM 913 C THR A 63 -7.179 -0.351 8.117 1.00 13.01 C ATOM 914 O THR A 63 -6.673 -1.459 8.272 1.00 2.22 O ATOM 915 CB THR A 63 -7.677 0.213 10.496 1.00 53.51 C ATOM 916 OG1 THR A 63 -8.670 0.635 11.428 1.00 64.31 O ATOM 917 CG2 THR A 63 -6.535 1.186 10.534 1.00 22.44 C ATOM 0 H THR A 63 -9.077 -1.762 8.844 1.00 31.52 H new ATOM 0 HA THR A 63 -8.621 1.117 8.799 1.00 24.11 H new ATOM 0 HB THR A 63 -7.325 -0.781 10.771 1.00 53.51 H new ATOM 0 HG1 THR A 63 -8.278 0.683 12.325 1.00 64.31 H new ATOM 0 HG21 THR A 63 -6.134 1.237 11.546 1.00 22.44 H new ATOM 0 HG22 THR A 63 -5.753 0.856 9.850 1.00 22.44 H new ATOM 0 HG23 THR A 63 -6.887 2.173 10.233 1.00 22.44 H new ATOM 925 N ALA A 64 -6.842 0.467 7.134 1.00 12.44 N ATOM 926 CA ALA A 64 -5.765 0.144 6.217 1.00 61.35 C ATOM 927 C ALA A 64 -4.457 0.733 6.714 1.00 70.41 C ATOM 928 O ALA A 64 -4.285 1.949 6.743 1.00 11.35 O ATOM 929 CB ALA A 64 -6.075 0.649 4.824 1.00 34.12 C ATOM 0 H ALA A 64 -7.300 1.360 6.951 1.00 12.44 H new ATOM 0 HA ALA A 64 -5.667 -0.941 6.172 1.00 61.35 H new ATOM 0 HB1 ALA A 64 -5.254 0.395 4.154 1.00 34.12 H new ATOM 0 HB2 ALA A 64 -6.993 0.184 4.465 1.00 34.12 H new ATOM 0 HB3 ALA A 64 -6.202 1.731 4.849 1.00 34.12 H new ATOM 935 N ARG A 65 -3.548 -0.134 7.130 1.00 54.31 N ATOM 936 CA ARG A 65 -2.223 0.282 7.570 1.00 23.14 C ATOM 937 C ARG A 65 -1.183 -0.624 6.932 1.00 73.33 C ATOM 938 O ARG A 65 -1.493 -1.746 6.544 1.00 13.32 O ATOM 939 CB ARG A 65 -2.088 0.243 9.103 1.00 13.13 C ATOM 940 CG ARG A 65 -2.906 1.295 9.835 1.00 23.24 C ATOM 941 CD ARG A 65 -2.572 1.356 11.318 1.00 64.31 C ATOM 942 NE ARG A 65 -3.497 2.225 12.051 1.00 65.33 N ATOM 943 CZ ARG A 65 -3.142 3.088 13.006 1.00 74.45 C ATOM 944 NH1 ARG A 65 -1.868 3.258 13.336 1.00 65.33 N ATOM 945 NH2 ARG A 65 -4.079 3.798 13.619 1.00 35.43 N ATOM 0 H ARG A 65 -3.705 -1.141 7.173 1.00 54.31 H new ATOM 0 HA ARG A 65 -2.066 1.315 7.258 1.00 23.14 H new ATOM 0 HB2 ARG A 65 -2.388 -0.743 9.457 1.00 13.13 H new ATOM 0 HB3 ARG A 65 -1.038 0.370 9.366 1.00 13.13 H new ATOM 0 HG2 ARG A 65 -2.726 2.271 9.384 1.00 23.24 H new ATOM 0 HG3 ARG A 65 -3.967 1.078 9.712 1.00 23.24 H new ATOM 0 HD2 ARG A 65 -2.606 0.351 11.740 1.00 64.31 H new ATOM 0 HD3 ARG A 65 -1.553 1.721 11.446 1.00 64.31 H new ATOM 0 HE ARG A 65 -4.487 2.166 11.814 1.00 65.33 H new ATOM 0 HH11 ARG A 65 -1.142 2.725 12.858 1.00 65.33 H new ATOM 0 HH12 ARG A 65 -1.615 3.922 14.068 1.00 65.33 H new ATOM 0 HH21 ARG A 65 -5.059 3.682 13.359 1.00 35.43 H new ATOM 0 HH22 ARG A 65 -3.820 4.460 14.350 1.00 35.43 H new ATOM 959 N PHE A 66 0.032 -0.116 6.790 1.00 31.24 N ATOM 960 CA PHE A 66 1.137 -0.872 6.212 1.00 42.23 C ATOM 961 C PHE A 66 2.459 -0.262 6.644 1.00 31.44 C ATOM 962 O PHE A 66 2.480 0.855 7.172 1.00 74.31 O ATOM 963 CB PHE A 66 1.049 -0.918 4.666 1.00 62.41 C ATOM 964 CG PHE A 66 0.871 0.418 3.977 1.00 42.43 C ATOM 965 CD1 PHE A 66 1.955 1.233 3.705 1.00 2.34 C ATOM 966 CD2 PHE A 66 -0.387 0.849 3.596 1.00 0.01 C ATOM 967 CE1 PHE A 66 1.786 2.436 3.065 1.00 31.22 C ATOM 968 CE2 PHE A 66 -0.559 2.053 2.956 1.00 32.14 C ATOM 969 CZ PHE A 66 0.527 2.851 2.694 1.00 35.21 C ATOM 0 H PHE A 66 0.282 0.832 7.072 1.00 31.24 H new ATOM 0 HA PHE A 66 1.073 -1.897 6.577 1.00 42.23 H new ATOM 0 HB2 PHE A 66 1.956 -1.385 4.283 1.00 62.41 H new ATOM 0 HB3 PHE A 66 0.216 -1.563 4.387 1.00 62.41 H new ATOM 0 HD1 PHE A 66 2.946 0.920 3.999 1.00 2.34 H new ATOM 0 HD2 PHE A 66 -1.247 0.230 3.805 1.00 0.01 H new ATOM 0 HE1 PHE A 66 2.643 3.058 2.852 1.00 31.22 H new ATOM 0 HE2 PHE A 66 -1.548 2.371 2.659 1.00 32.14 H new ATOM 0 HZ PHE A 66 0.394 3.801 2.198 1.00 35.21 H new ATOM 979 N THR A 67 3.552 -0.976 6.420 1.00 22.22 N ATOM 980 CA THR A 67 4.863 -0.412 6.650 1.00 12.44 C ATOM 981 C THR A 67 5.802 -0.743 5.486 1.00 11.24 C ATOM 982 O THR A 67 5.720 -1.813 4.870 1.00 23.25 O ATOM 983 CB THR A 67 5.458 -0.859 8.021 1.00 25.23 C ATOM 984 OG1 THR A 67 6.481 0.055 8.424 1.00 31.23 O ATOM 985 CG2 THR A 67 6.040 -2.271 7.995 1.00 44.33 C ATOM 0 H THR A 67 3.553 -1.938 6.082 1.00 22.22 H new ATOM 0 HA THR A 67 4.757 0.672 6.699 1.00 12.44 H new ATOM 0 HB THR A 67 4.631 -0.861 8.731 1.00 25.23 H new ATOM 0 HG1 THR A 67 6.851 -0.228 9.286 1.00 31.23 H new ATOM 0 HG21 THR A 67 6.437 -2.519 8.979 1.00 44.33 H new ATOM 0 HG22 THR A 67 5.258 -2.982 7.729 1.00 44.33 H new ATOM 0 HG23 THR A 67 6.841 -2.321 7.258 1.00 44.33 H new ATOM 993 N SER A 68 6.636 0.220 5.157 1.00 63.25 N ATOM 994 CA SER A 68 7.704 0.043 4.195 1.00 32.10 C ATOM 995 C SER A 68 9.033 0.236 4.904 1.00 42.15 C ATOM 996 O SER A 68 9.095 0.957 5.907 1.00 44.34 O ATOM 997 CB SER A 68 7.541 1.048 3.046 1.00 42.21 C ATOM 998 OG SER A 68 7.398 2.378 3.530 1.00 20.52 O ATOM 0 H SER A 68 6.592 1.158 5.554 1.00 63.25 H new ATOM 0 HA SER A 68 7.669 -0.960 3.770 1.00 32.10 H new ATOM 0 HB2 SER A 68 8.407 0.991 2.387 1.00 42.21 H new ATOM 0 HB3 SER A 68 6.668 0.781 2.450 1.00 42.21 H new ATOM 0 HG SER A 68 8.160 2.918 3.232 1.00 20.52 H new ATOM 1004 N ASP A 69 10.076 -0.436 4.417 1.00 35.40 N ATOM 1005 CA ASP A 69 11.427 -0.271 4.964 1.00 24.31 C ATOM 1006 C ASP A 69 11.917 1.159 4.762 1.00 50.34 C ATOM 1007 O ASP A 69 12.344 1.820 5.712 1.00 22.01 O ATOM 1008 CB ASP A 69 12.400 -1.251 4.301 1.00 62.33 C ATOM 1009 CG ASP A 69 13.796 -1.194 4.897 1.00 50.31 C ATOM 1010 OD1 ASP A 69 14.023 -1.832 5.939 1.00 63.01 O ATOM 1011 OD2 ASP A 69 14.665 -0.518 4.322 1.00 63.30 O ATOM 0 H ASP A 69 10.014 -1.100 3.645 1.00 35.40 H new ATOM 0 HA ASP A 69 11.387 -0.482 6.033 1.00 24.31 H new ATOM 0 HB2 ASP A 69 12.010 -2.264 4.399 1.00 62.33 H new ATOM 0 HB3 ASP A 69 12.457 -1.033 3.235 1.00 62.33 H new ATOM 1016 N ILE A 70 11.833 1.628 3.521 1.00 71.54 N ATOM 1017 CA ILE A 70 12.231 2.979 3.183 1.00 44.34 C ATOM 1018 C ILE A 70 11.039 3.820 2.745 1.00 24.51 C ATOM 1019 O ILE A 70 10.026 3.293 2.277 1.00 32.31 O ATOM 1020 CB ILE A 70 13.348 3.004 2.092 1.00 55.10 C ATOM 1021 CG1 ILE A 70 13.045 2.075 0.890 1.00 11.21 C ATOM 1022 CG2 ILE A 70 14.685 2.637 2.706 1.00 23.33 C ATOM 1023 CD1 ILE A 70 12.307 2.739 -0.264 1.00 73.35 C ATOM 0 H ILE A 70 11.489 1.082 2.731 1.00 71.54 H new ATOM 0 HA ILE A 70 12.644 3.419 4.091 1.00 44.34 H new ATOM 0 HB ILE A 70 13.383 4.022 1.703 1.00 55.10 H new ATOM 0 HG12 ILE A 70 13.986 1.671 0.516 1.00 11.21 H new ATOM 0 HG13 ILE A 70 12.453 1.230 1.243 1.00 11.21 H new ATOM 0 HG21 ILE A 70 15.457 2.658 1.936 1.00 23.33 H new ATOM 0 HG22 ILE A 70 14.934 3.353 3.489 1.00 23.33 H new ATOM 0 HG23 ILE A 70 14.626 1.636 3.134 1.00 23.33 H new ATOM 0 HD11 ILE A 70 12.141 2.010 -1.057 1.00 73.35 H new ATOM 0 HD12 ILE A 70 11.347 3.118 0.088 1.00 73.35 H new ATOM 0 HD13 ILE A 70 12.904 3.565 -0.650 1.00 73.35 H new ATOM 1035 N THR A 71 11.172 5.121 2.918 1.00 20.35 N ATOM 1036 CA THR A 71 10.219 6.086 2.381 1.00 42.23 C ATOM 1037 C THR A 71 10.960 7.087 1.490 1.00 5.31 C ATOM 1038 O THR A 71 10.355 7.920 0.810 1.00 14.10 O ATOM 1039 CB THR A 71 9.473 6.845 3.506 1.00 42.12 C ATOM 1040 OG1 THR A 71 10.403 7.324 4.483 1.00 53.24 O ATOM 1041 CG2 THR A 71 8.433 5.965 4.186 1.00 12.52 C ATOM 0 H THR A 71 11.943 5.544 3.435 1.00 20.35 H new ATOM 0 HA THR A 71 9.476 5.539 1.800 1.00 42.23 H new ATOM 0 HB THR A 71 8.958 7.687 3.044 1.00 42.12 H new ATOM 0 HG1 THR A 71 9.919 7.803 5.188 1.00 53.24 H new ATOM 0 HG21 THR A 71 7.931 6.533 4.969 1.00 12.52 H new ATOM 0 HG22 THR A 71 7.699 5.635 3.451 1.00 12.52 H new ATOM 0 HG23 THR A 71 8.923 5.096 4.626 1.00 12.52 H new ATOM 1049 N GLU A 72 12.290 6.960 1.486 1.00 61.33 N ATOM 1050 CA GLU A 72 13.172 7.890 0.811 1.00 20.20 C ATOM 1051 C GLU A 72 14.379 7.128 0.273 1.00 41.23 C ATOM 1052 O GLU A 72 14.762 6.093 0.830 1.00 35.15 O ATOM 1053 CB GLU A 72 13.634 8.956 1.810 1.00 62.20 C ATOM 1054 CG GLU A 72 14.211 10.209 1.178 1.00 63.33 C ATOM 1055 CD GLU A 72 13.154 11.034 0.477 1.00 10.04 C ATOM 1056 OE1 GLU A 72 12.327 11.657 1.171 1.00 12.24 O ATOM 1057 OE2 GLU A 72 13.166 11.086 -0.761 1.00 3.33 O ATOM 0 H GLU A 72 12.780 6.200 1.958 1.00 61.33 H new ATOM 0 HA GLU A 72 12.649 8.372 -0.016 1.00 20.20 H new ATOM 0 HB2 GLU A 72 12.788 9.238 2.437 1.00 62.20 H new ATOM 0 HB3 GLU A 72 14.385 8.518 2.467 1.00 62.20 H new ATOM 0 HG2 GLU A 72 14.691 10.814 1.947 1.00 63.33 H new ATOM 0 HG3 GLU A 72 14.985 9.930 0.463 1.00 63.33 H new ATOM 1064 N GLY A 73 14.961 7.626 -0.808 1.00 13.12 N ATOM 1065 CA GLY A 73 16.171 7.044 -1.340 1.00 73.51 C ATOM 1066 C GLY A 73 16.042 6.746 -2.808 1.00 43.00 C ATOM 1067 O GLY A 73 15.012 7.026 -3.408 1.00 74.54 O ATOM 0 H GLY A 73 14.611 8.430 -1.329 1.00 13.12 H new ATOM 0 HA2 GLY A 73 17.005 7.727 -1.179 1.00 73.51 H new ATOM 0 HA3 GLY A 73 16.402 6.125 -0.800 1.00 73.51 H new ATOM 1071 N PHE A 74 17.089 6.177 -3.376 1.00 62.22 N ATOM 1072 CA PHE A 74 17.092 5.788 -4.779 1.00 72.54 C ATOM 1073 C PHE A 74 16.439 4.418 -4.900 1.00 74.44 C ATOM 1074 O PHE A 74 16.421 3.674 -3.913 1.00 23.14 O ATOM 1075 CB PHE A 74 18.525 5.784 -5.360 1.00 53.23 C ATOM 1076 CG PHE A 74 19.557 5.015 -4.553 1.00 0.11 C ATOM 1077 CD1 PHE A 74 19.788 3.662 -4.784 1.00 41.34 C ATOM 1078 CD2 PHE A 74 20.309 5.651 -3.574 1.00 72.31 C ATOM 1079 CE1 PHE A 74 20.734 2.967 -4.052 1.00 24.23 C ATOM 1080 CE2 PHE A 74 21.254 4.961 -2.841 1.00 53.14 C ATOM 1081 CZ PHE A 74 21.468 3.619 -3.080 1.00 42.52 C ATOM 0 H PHE A 74 17.958 5.971 -2.883 1.00 62.22 H new ATOM 0 HA PHE A 74 16.525 6.515 -5.361 1.00 72.54 H new ATOM 0 HB2 PHE A 74 18.489 5.364 -6.365 1.00 53.23 H new ATOM 0 HB3 PHE A 74 18.861 6.816 -5.457 1.00 53.23 H new ATOM 0 HD1 PHE A 74 19.221 3.147 -5.545 1.00 41.34 H new ATOM 0 HD2 PHE A 74 20.152 6.702 -3.383 1.00 72.31 H new ATOM 0 HE1 PHE A 74 20.898 1.916 -4.240 1.00 24.23 H new ATOM 0 HE2 PHE A 74 21.826 5.472 -2.080 1.00 53.14 H new ATOM 0 HZ PHE A 74 22.208 3.079 -2.508 1.00 42.52 H new ATOM 1091 N ALA A 75 15.867 4.133 -6.078 1.00 30.24 N ATOM 1092 CA ALA A 75 15.213 2.847 -6.382 1.00 1.54 C ATOM 1093 C ALA A 75 16.131 1.644 -6.105 1.00 22.30 C ATOM 1094 O ALA A 75 17.101 1.417 -6.828 1.00 32.42 O ATOM 1095 CB ALA A 75 14.746 2.840 -7.834 1.00 73.50 C ATOM 0 H ALA A 75 15.844 4.793 -6.855 1.00 30.24 H new ATOM 0 HA ALA A 75 14.353 2.747 -5.719 1.00 1.54 H new ATOM 0 HB1 ALA A 75 14.263 1.888 -8.056 1.00 73.50 H new ATOM 0 HB2 ALA A 75 14.037 3.653 -7.992 1.00 73.50 H new ATOM 0 HB3 ALA A 75 15.604 2.974 -8.493 1.00 73.50 H new ATOM 1101 N PRO A 76 15.847 0.866 -5.032 1.00 22.35 N ATOM 1102 CA PRO A 76 16.716 -0.209 -4.565 1.00 4.44 C ATOM 1103 C PRO A 76 16.280 -1.600 -5.031 1.00 2.41 C ATOM 1104 O PRO A 76 16.686 -2.603 -4.429 1.00 34.35 O ATOM 1105 CB PRO A 76 16.571 -0.087 -3.044 1.00 63.12 C ATOM 1106 CG PRO A 76 15.229 0.549 -2.803 1.00 34.42 C ATOM 1107 CD PRO A 76 14.678 0.987 -4.144 1.00 42.03 C ATOM 0 HA PRO A 76 17.732 -0.113 -4.948 1.00 4.44 H new ATOM 0 HB2 PRO A 76 16.630 -1.065 -2.567 1.00 63.12 H new ATOM 0 HB3 PRO A 76 17.372 0.521 -2.624 1.00 63.12 H new ATOM 0 HG2 PRO A 76 14.552 -0.158 -2.324 1.00 34.42 H new ATOM 0 HG3 PRO A 76 15.326 1.403 -2.132 1.00 34.42 H new ATOM 0 HD2 PRO A 76 13.855 0.351 -4.470 1.00 42.03 H new ATOM 0 HD3 PRO A 76 14.299 2.008 -4.111 1.00 42.03 H new ATOM 1115 N LEU A 77 15.460 -1.620 -6.108 1.00 75.32 N ATOM 1116 CA LEU A 77 14.857 -2.825 -6.695 1.00 75.14 C ATOM 1117 C LEU A 77 13.777 -3.414 -5.779 1.00 4.11 C ATOM 1118 O LEU A 77 12.590 -3.178 -5.986 1.00 42.22 O ATOM 1119 CB LEU A 77 15.908 -3.891 -7.079 1.00 22.42 C ATOM 1120 CG LEU A 77 15.346 -5.159 -7.717 1.00 24.24 C ATOM 1121 CD1 LEU A 77 15.012 -4.929 -9.181 1.00 2.32 C ATOM 1122 CD2 LEU A 77 16.318 -6.311 -7.542 1.00 23.13 C ATOM 0 H LEU A 77 15.196 -0.768 -6.603 1.00 75.32 H new ATOM 0 HA LEU A 77 14.378 -2.510 -7.622 1.00 75.14 H new ATOM 0 HB2 LEU A 77 16.622 -3.442 -7.770 1.00 22.42 H new ATOM 0 HB3 LEU A 77 16.463 -4.170 -6.183 1.00 22.42 H new ATOM 0 HG LEU A 77 14.417 -5.421 -7.210 1.00 24.24 H new ATOM 0 HD11 LEU A 77 14.614 -5.847 -9.612 1.00 2.32 H new ATOM 0 HD12 LEU A 77 14.268 -4.137 -9.264 1.00 2.32 H new ATOM 0 HD13 LEU A 77 15.914 -4.638 -9.719 1.00 2.32 H new ATOM 0 HD21 LEU A 77 15.905 -7.209 -8.002 1.00 23.13 H new ATOM 0 HD22 LEU A 77 17.266 -6.063 -8.019 1.00 23.13 H new ATOM 0 HD23 LEU A 77 16.482 -6.490 -6.479 1.00 23.13 H new ATOM 1134 N SER A 78 14.192 -4.145 -4.755 1.00 64.32 N ATOM 1135 CA SER A 78 13.268 -4.855 -3.902 1.00 54.43 C ATOM 1136 C SER A 78 13.260 -4.256 -2.499 1.00 12.43 C ATOM 1137 O SER A 78 14.314 -3.951 -1.935 1.00 54.50 O ATOM 1138 CB SER A 78 13.652 -6.335 -3.878 1.00 61.21 C ATOM 1139 OG SER A 78 15.024 -6.502 -3.542 1.00 3.11 O ATOM 0 H SER A 78 15.173 -4.258 -4.498 1.00 64.32 H new ATOM 0 HA SER A 78 12.256 -4.760 -4.296 1.00 54.43 H new ATOM 0 HB2 SER A 78 13.030 -6.864 -3.155 1.00 61.21 H new ATOM 0 HB3 SER A 78 13.456 -6.781 -4.853 1.00 61.21 H new ATOM 0 HG SER A 78 15.244 -7.457 -3.532 1.00 3.11 H new ATOM 1145 N VAL A 79 12.063 -4.032 -1.976 1.00 24.42 N ATOM 1146 CA VAL A 79 11.883 -3.504 -0.618 1.00 54.14 C ATOM 1147 C VAL A 79 10.966 -4.433 0.182 1.00 61.24 C ATOM 1148 O VAL A 79 9.943 -4.891 -0.337 1.00 45.04 O ATOM 1149 CB VAL A 79 11.305 -2.045 -0.637 1.00 24.25 C ATOM 1150 CG1 VAL A 79 11.015 -1.504 0.762 1.00 54.45 C ATOM 1151 CG2 VAL A 79 12.257 -1.098 -1.341 1.00 22.43 C ATOM 0 H VAL A 79 11.189 -4.208 -2.472 1.00 24.42 H new ATOM 0 HA VAL A 79 12.861 -3.461 -0.138 1.00 54.14 H new ATOM 0 HB VAL A 79 10.361 -2.102 -1.179 1.00 24.25 H new ATOM 0 HG11 VAL A 79 10.617 -0.492 0.686 1.00 54.45 H new ATOM 0 HG12 VAL A 79 10.284 -2.145 1.256 1.00 54.45 H new ATOM 0 HG13 VAL A 79 11.936 -1.489 1.344 1.00 54.45 H new ATOM 0 HG21 VAL A 79 11.836 -0.093 -1.342 1.00 22.43 H new ATOM 0 HG22 VAL A 79 13.214 -1.090 -0.819 1.00 22.43 H new ATOM 0 HG23 VAL A 79 12.407 -1.430 -2.368 1.00 22.43 H new ATOM 1161 N ARG A 80 11.362 -4.732 1.430 1.00 34.32 N ATOM 1162 CA ARG A 80 10.518 -5.484 2.360 1.00 3.04 C ATOM 1163 C ARG A 80 9.269 -4.670 2.722 1.00 45.03 C ATOM 1164 O ARG A 80 9.350 -3.511 3.161 1.00 11.43 O ATOM 1165 CB ARG A 80 11.316 -5.900 3.620 1.00 41.13 C ATOM 1166 CG ARG A 80 11.970 -4.744 4.374 1.00 30.13 C ATOM 1167 CD ARG A 80 12.821 -5.206 5.544 1.00 64.04 C ATOM 1168 NE ARG A 80 13.980 -5.989 5.115 1.00 31.33 N ATOM 1169 CZ ARG A 80 15.250 -5.571 5.178 1.00 1.21 C ATOM 1170 NH1 ARG A 80 15.548 -4.332 5.572 1.00 53.44 N ATOM 1171 NH2 ARG A 80 16.227 -6.392 4.819 1.00 1.42 N ATOM 0 H ARG A 80 12.267 -4.461 1.815 1.00 34.32 H new ATOM 0 HA ARG A 80 10.190 -6.401 1.870 1.00 3.04 H new ATOM 0 HB2 ARG A 80 10.646 -6.426 4.300 1.00 41.13 H new ATOM 0 HB3 ARG A 80 12.091 -6.608 3.325 1.00 41.13 H new ATOM 0 HG2 ARG A 80 12.590 -4.172 3.684 1.00 30.13 H new ATOM 0 HG3 ARG A 80 11.195 -4.070 4.739 1.00 30.13 H new ATOM 0 HD2 ARG A 80 13.161 -4.337 6.108 1.00 64.04 H new ATOM 0 HD3 ARG A 80 12.211 -5.805 6.219 1.00 64.04 H new ATOM 0 HE ARG A 80 13.808 -6.922 4.740 1.00 31.33 H new ATOM 0 HH11 ARG A 80 14.802 -3.686 5.831 1.00 53.44 H new ATOM 0 HH12 ARG A 80 16.522 -4.030 5.614 1.00 53.44 H new ATOM 0 HH21 ARG A 80 16.008 -7.335 4.497 1.00 1.42 H new ATOM 0 HH22 ARG A 80 17.197 -6.081 4.864 1.00 1.42 H new ATOM 1185 N PHE A 81 8.113 -5.263 2.480 1.00 5.45 N ATOM 1186 CA PHE A 81 6.847 -4.579 2.660 1.00 11.31 C ATOM 1187 C PHE A 81 5.849 -5.499 3.354 1.00 61.21 C ATOM 1188 O PHE A 81 5.604 -6.622 2.900 1.00 74.44 O ATOM 1189 CB PHE A 81 6.313 -4.117 1.297 1.00 1.03 C ATOM 1190 CG PHE A 81 5.190 -3.126 1.388 1.00 14.40 C ATOM 1191 CD1 PHE A 81 5.458 -1.777 1.523 1.00 14.03 C ATOM 1192 CD2 PHE A 81 3.869 -3.543 1.352 1.00 45.13 C ATOM 1193 CE1 PHE A 81 4.433 -0.862 1.607 1.00 31.13 C ATOM 1194 CE2 PHE A 81 2.845 -2.630 1.436 1.00 0.01 C ATOM 1195 CZ PHE A 81 3.128 -1.294 1.571 1.00 14.04 C ATOM 0 H PHE A 81 8.027 -6.226 2.155 1.00 5.45 H new ATOM 0 HA PHE A 81 6.994 -3.702 3.291 1.00 11.31 H new ATOM 0 HB2 PHE A 81 7.131 -3.674 0.729 1.00 1.03 H new ATOM 0 HB3 PHE A 81 5.972 -4.988 0.737 1.00 1.03 H new ATOM 0 HD1 PHE A 81 6.482 -1.437 1.563 1.00 14.03 H new ATOM 0 HD2 PHE A 81 3.642 -4.595 1.257 1.00 45.13 H new ATOM 0 HE1 PHE A 81 4.653 0.191 1.701 1.00 31.13 H new ATOM 0 HE2 PHE A 81 1.819 -2.964 1.396 1.00 0.01 H new ATOM 0 HZ PHE A 81 2.322 -0.579 1.649 1.00 14.04 H new ATOM 1205 N LYS A 82 5.284 -5.024 4.458 1.00 12.30 N ATOM 1206 CA LYS A 82 4.292 -5.786 5.205 1.00 33.02 C ATOM 1207 C LYS A 82 3.006 -5.000 5.410 1.00 2.45 C ATOM 1208 O LYS A 82 3.000 -3.771 5.442 1.00 72.34 O ATOM 1209 CB LYS A 82 4.833 -6.242 6.563 1.00 11.34 C ATOM 1210 CG LYS A 82 5.755 -7.453 6.492 1.00 51.20 C ATOM 1211 CD LYS A 82 5.945 -8.092 7.858 1.00 23.23 C ATOM 1212 CE LYS A 82 4.640 -8.674 8.393 1.00 25.34 C ATOM 1213 NZ LYS A 82 4.804 -9.266 9.741 1.00 72.13 N ATOM 0 H LYS A 82 5.498 -4.110 4.857 1.00 12.30 H new ATOM 0 HA LYS A 82 4.068 -6.666 4.602 1.00 33.02 H new ATOM 0 HB2 LYS A 82 5.373 -5.414 7.023 1.00 11.34 H new ATOM 0 HB3 LYS A 82 3.993 -6.477 7.216 1.00 11.34 H new ATOM 0 HG2 LYS A 82 5.340 -8.187 5.801 1.00 51.20 H new ATOM 0 HG3 LYS A 82 6.723 -7.151 6.093 1.00 51.20 H new ATOM 0 HD2 LYS A 82 6.695 -8.880 7.790 1.00 23.23 H new ATOM 0 HD3 LYS A 82 6.326 -7.349 8.558 1.00 23.23 H new ATOM 0 HE2 LYS A 82 3.883 -7.890 8.431 1.00 25.34 H new ATOM 0 HE3 LYS A 82 4.275 -9.436 7.705 1.00 25.34 H new ATOM 0 HZ1 LYS A 82 3.893 -9.649 10.065 1.00 72.13 H new ATOM 0 HZ2 LYS A 82 5.507 -10.031 9.701 1.00 72.13 H new ATOM 0 HZ3 LYS A 82 5.127 -8.534 10.405 1.00 72.13 H new ATOM 1227 N ASP A 83 1.929 -5.750 5.547 1.00 64.44 N ATOM 1228 CA ASP A 83 0.606 -5.214 5.815 1.00 40.50 C ATOM 1229 C ASP A 83 0.342 -5.142 7.322 1.00 44.11 C ATOM 1230 O ASP A 83 0.740 -6.036 8.072 1.00 14.42 O ATOM 1231 CB ASP A 83 -0.433 -6.107 5.127 1.00 5.20 C ATOM 1232 CG ASP A 83 -1.860 -5.806 5.526 1.00 3.22 C ATOM 1233 OD1 ASP A 83 -2.471 -4.923 4.918 1.00 52.11 O ATOM 1234 OD2 ASP A 83 -2.385 -6.469 6.441 1.00 12.34 O ATOM 0 H ASP A 83 1.948 -6.767 5.474 1.00 64.44 H new ATOM 0 HA ASP A 83 0.538 -4.200 5.422 1.00 40.50 H new ATOM 0 HB2 ASP A 83 -0.337 -5.994 4.047 1.00 5.20 H new ATOM 0 HB3 ASP A 83 -0.213 -7.149 5.360 1.00 5.20 H new ATOM 1239 N PHE A 84 -0.344 -4.082 7.752 1.00 22.12 N ATOM 1240 CA PHE A 84 -0.708 -3.895 9.157 1.00 1.43 C ATOM 1241 C PHE A 84 -2.210 -3.608 9.303 1.00 11.11 C ATOM 1242 O PHE A 84 -2.665 -3.149 10.357 1.00 44.44 O ATOM 1243 CB PHE A 84 0.108 -2.753 9.785 1.00 64.21 C ATOM 1244 CG PHE A 84 1.445 -3.167 10.334 1.00 74.02 C ATOM 1245 CD1 PHE A 84 2.508 -3.448 9.496 1.00 42.24 C ATOM 1246 CD2 PHE A 84 1.637 -3.263 11.701 1.00 21.23 C ATOM 1247 CE1 PHE A 84 3.727 -3.827 10.010 1.00 11.42 C ATOM 1248 CE2 PHE A 84 2.859 -3.638 12.218 1.00 64.20 C ATOM 1249 CZ PHE A 84 3.907 -3.919 11.370 1.00 4.44 C ATOM 0 H PHE A 84 -0.662 -3.332 7.139 1.00 22.12 H new ATOM 0 HA PHE A 84 -0.479 -4.821 9.684 1.00 1.43 H new ATOM 0 HB2 PHE A 84 0.263 -1.979 9.034 1.00 64.21 H new ATOM 0 HB3 PHE A 84 -0.477 -2.305 10.588 1.00 64.21 H new ATOM 0 HD1 PHE A 84 2.380 -3.369 8.426 1.00 42.24 H new ATOM 0 HD2 PHE A 84 0.820 -3.041 12.371 1.00 21.23 H new ATOM 0 HE1 PHE A 84 4.545 -4.053 9.343 1.00 11.42 H new ATOM 0 HE2 PHE A 84 2.994 -3.711 13.287 1.00 64.20 H new ATOM 0 HZ PHE A 84 4.866 -4.210 11.772 1.00 4.44 H new ATOM 1259 N SER A 85 -2.968 -3.899 8.239 1.00 60.51 N ATOM 1260 CA SER A 85 -4.412 -3.683 8.218 1.00 4.41 C ATOM 1261 C SER A 85 -5.144 -4.632 9.163 1.00 3.21 C ATOM 1262 O SER A 85 -4.752 -5.782 9.337 1.00 14.32 O ATOM 1263 CB SER A 85 -4.951 -3.854 6.798 1.00 12.40 C ATOM 1264 OG SER A 85 -4.351 -2.926 5.916 1.00 75.42 O ATOM 0 H SER A 85 -2.595 -4.289 7.373 1.00 60.51 H new ATOM 0 HA SER A 85 -4.593 -2.664 8.560 1.00 4.41 H new ATOM 0 HB2 SER A 85 -4.758 -4.869 6.451 1.00 12.40 H new ATOM 0 HB3 SER A 85 -6.032 -3.717 6.796 1.00 12.40 H new ATOM 0 HG SER A 85 -4.709 -3.054 5.013 1.00 75.42 H new ATOM 1270 N GLU A 86 -6.213 -4.131 9.761 1.00 15.21 N ATOM 1271 CA GLU A 86 -6.965 -4.877 10.758 1.00 52.55 C ATOM 1272 C GLU A 86 -8.460 -4.636 10.553 1.00 62.30 C ATOM 1273 O GLU A 86 -8.850 -3.586 10.025 1.00 21.42 O ATOM 1274 CB GLU A 86 -6.520 -4.435 12.168 1.00 62.42 C ATOM 1275 CG GLU A 86 -7.082 -5.255 13.326 1.00 74.53 C ATOM 1276 CD GLU A 86 -6.726 -6.725 13.254 1.00 54.11 C ATOM 1277 OE1 GLU A 86 -5.669 -7.111 13.791 1.00 4.30 O ATOM 1278 OE2 GLU A 86 -7.506 -7.500 12.658 1.00 73.53 O ATOM 0 H GLU A 86 -6.583 -3.200 9.570 1.00 15.21 H new ATOM 0 HA GLU A 86 -6.772 -5.945 10.653 1.00 52.55 H new ATOM 0 HB2 GLU A 86 -5.432 -4.473 12.214 1.00 62.42 H new ATOM 0 HB3 GLU A 86 -6.809 -3.394 12.310 1.00 62.42 H new ATOM 0 HG2 GLU A 86 -6.710 -4.845 14.265 1.00 74.53 H new ATOM 0 HG3 GLU A 86 -8.167 -5.152 13.340 1.00 74.53 H new ATOM 1285 N ASN A 87 -9.269 -5.652 10.934 1.00 50.25 N ATOM 1286 CA ASN A 87 -10.744 -5.588 10.991 1.00 60.31 C ATOM 1287 C ASN A 87 -11.359 -5.461 9.601 1.00 44.22 C ATOM 1288 O ASN A 87 -12.324 -4.732 9.382 1.00 2.21 O ATOM 1289 CB ASN A 87 -11.191 -4.455 11.926 1.00 50.24 C ATOM 1290 CG ASN A 87 -10.762 -4.700 13.361 1.00 4.55 C ATOM 1291 OD1 ASN A 87 -10.795 -5.827 13.854 1.00 22.44 O ATOM 1292 ND2 ASN A 87 -10.291 -3.657 14.016 1.00 61.34 N ATOM 0 H ASN A 87 -8.902 -6.561 11.217 1.00 50.25 H new ATOM 0 HA ASN A 87 -11.111 -6.528 11.403 1.00 60.31 H new ATOM 0 HB2 ASN A 87 -10.771 -3.511 11.578 1.00 50.24 H new ATOM 0 HB3 ASN A 87 -12.276 -4.357 11.884 1.00 50.24 H new ATOM 0 HD21 ASN A 87 -9.937 -3.769 14.966 1.00 61.34 H new ATOM 0 HD22 ASN A 87 -10.281 -2.738 13.573 1.00 61.34 H new ATOM 1299 N ALA A 88 -10.795 -6.216 8.667 1.00 75.34 N ATOM 1300 CA ALA A 88 -11.235 -6.182 7.289 1.00 74.44 C ATOM 1301 C ALA A 88 -11.873 -7.498 6.889 1.00 53.13 C ATOM 1302 O ALA A 88 -11.426 -8.567 7.304 1.00 63.33 O ATOM 1303 CB ALA A 88 -10.063 -5.881 6.380 1.00 73.11 C ATOM 0 H ALA A 88 -10.026 -6.862 8.847 1.00 75.34 H new ATOM 0 HA ALA A 88 -11.982 -5.395 7.189 1.00 74.44 H new ATOM 0 HB1 ALA A 88 -10.402 -5.857 5.344 1.00 73.11 H new ATOM 0 HB2 ALA A 88 -9.637 -4.913 6.644 1.00 73.11 H new ATOM 0 HB3 ALA A 88 -9.305 -6.655 6.495 1.00 73.11 H new ATOM 1309 N THR A 89 -12.923 -7.401 6.094 1.00 73.20 N ATOM 1310 CA THR A 89 -13.561 -8.557 5.484 1.00 52.44 C ATOM 1311 C THR A 89 -12.738 -8.999 4.271 1.00 0.32 C ATOM 1312 O THR A 89 -12.386 -10.174 4.132 1.00 73.11 O ATOM 1313 CB THR A 89 -14.995 -8.204 5.033 1.00 35.14 C ATOM 1314 OG1 THR A 89 -15.692 -7.571 6.109 1.00 64.11 O ATOM 1315 CG2 THR A 89 -15.770 -9.439 4.582 1.00 24.13 C ATOM 0 H THR A 89 -13.361 -6.513 5.851 1.00 73.20 H new ATOM 0 HA THR A 89 -13.613 -9.364 6.215 1.00 52.44 H new ATOM 0 HB THR A 89 -14.919 -7.528 4.182 1.00 35.14 H new ATOM 0 HG1 THR A 89 -16.585 -7.302 5.807 1.00 64.11 H new ATOM 0 HG21 THR A 89 -16.773 -9.146 4.273 1.00 24.13 H new ATOM 0 HG22 THR A 89 -15.254 -9.906 3.743 1.00 24.13 H new ATOM 0 HG23 THR A 89 -15.837 -10.148 5.407 1.00 24.13 H new ATOM 1323 N SER A 90 -12.420 -8.030 3.417 1.00 55.44 N ATOM 1324 CA SER A 90 -11.672 -8.269 2.192 1.00 1.23 C ATOM 1325 C SER A 90 -10.585 -7.212 2.037 1.00 52.22 C ATOM 1326 O SER A 90 -10.601 -6.195 2.735 1.00 13.34 O ATOM 1327 CB SER A 90 -12.624 -8.223 0.992 1.00 2.54 C ATOM 1328 OG SER A 90 -13.642 -9.204 1.099 1.00 63.13 O ATOM 0 H SER A 90 -12.676 -7.053 3.558 1.00 55.44 H new ATOM 0 HA SER A 90 -11.204 -9.252 2.239 1.00 1.23 H new ATOM 0 HB2 SER A 90 -13.076 -7.234 0.923 1.00 2.54 H new ATOM 0 HB3 SER A 90 -12.060 -8.381 0.073 1.00 2.54 H new ATOM 0 HG SER A 90 -14.234 -9.148 0.320 1.00 63.13 H new ATOM 1334 N ARG A 91 -9.632 -7.462 1.147 1.00 1.13 N ATOM 1335 CA ARG A 91 -8.612 -6.467 0.836 1.00 40.02 C ATOM 1336 C ARG A 91 -8.490 -6.227 -0.659 1.00 11.10 C ATOM 1337 O ARG A 91 -8.930 -7.037 -1.478 1.00 61.03 O ATOM 1338 CB ARG A 91 -7.248 -6.867 1.397 1.00 31.22 C ATOM 1339 CG ARG A 91 -6.677 -8.167 0.838 1.00 45.41 C ATOM 1340 CD ARG A 91 -5.265 -8.405 1.338 1.00 41.43 C ATOM 1341 NE ARG A 91 -5.206 -8.394 2.797 1.00 10.10 N ATOM 1342 CZ ARG A 91 -4.499 -7.525 3.513 1.00 53.50 C ATOM 1343 NH1 ARG A 91 -3.760 -6.589 2.917 1.00 73.42 N ATOM 1344 NH2 ARG A 91 -4.565 -7.564 4.833 1.00 20.53 N ATOM 0 H ARG A 91 -9.544 -8.338 0.631 1.00 1.13 H new ATOM 0 HA ARG A 91 -8.934 -5.541 1.312 1.00 40.02 H new ATOM 0 HB2 ARG A 91 -6.540 -6.062 1.199 1.00 31.22 H new ATOM 0 HB3 ARG A 91 -7.330 -6.960 2.480 1.00 31.22 H new ATOM 0 HG2 ARG A 91 -7.314 -9.002 1.129 1.00 45.41 H new ATOM 0 HG3 ARG A 91 -6.678 -8.129 -0.251 1.00 45.41 H new ATOM 0 HD2 ARG A 91 -4.902 -9.363 0.965 1.00 41.43 H new ATOM 0 HD3 ARG A 91 -4.602 -7.636 0.940 1.00 41.43 H new ATOM 0 HE ARG A 91 -5.743 -9.100 3.300 1.00 10.10 H new ATOM 0 HH11 ARG A 91 -3.732 -6.533 1.899 1.00 73.42 H new ATOM 0 HH12 ARG A 91 -3.223 -5.929 3.479 1.00 73.42 H new ATOM 0 HH21 ARG A 91 -5.155 -8.257 5.294 1.00 20.53 H new ATOM 0 HH22 ARG A 91 -4.026 -6.901 5.390 1.00 20.53 H new ATOM 1358 N LEU A 92 -7.869 -5.111 -0.993 1.00 21.42 N ATOM 1359 CA LEU A 92 -7.601 -4.749 -2.360 1.00 35.55 C ATOM 1360 C LEU A 92 -6.242 -4.057 -2.431 1.00 12.12 C ATOM 1361 O LEU A 92 -6.037 -2.997 -1.839 1.00 22.12 O ATOM 1362 CB LEU A 92 -8.712 -3.829 -2.884 1.00 11.34 C ATOM 1363 CG LEU A 92 -8.704 -3.579 -4.390 1.00 32.51 C ATOM 1364 CD1 LEU A 92 -9.003 -4.863 -5.144 1.00 62.40 C ATOM 1365 CD2 LEU A 92 -9.711 -2.503 -4.749 1.00 34.41 C ATOM 0 H LEU A 92 -7.536 -4.429 -0.312 1.00 21.42 H new ATOM 0 HA LEU A 92 -7.579 -5.641 -2.986 1.00 35.55 H new ATOM 0 HB2 LEU A 92 -9.675 -4.259 -2.610 1.00 11.34 H new ATOM 0 HB3 LEU A 92 -8.635 -2.869 -2.374 1.00 11.34 H new ATOM 0 HG LEU A 92 -7.711 -3.235 -4.680 1.00 32.51 H new ATOM 0 HD11 LEU A 92 -8.993 -4.666 -6.216 1.00 62.40 H new ATOM 0 HD12 LEU A 92 -8.246 -5.610 -4.905 1.00 62.40 H new ATOM 0 HD13 LEU A 92 -9.985 -5.236 -4.853 1.00 62.40 H new ATOM 0 HD21 LEU A 92 -9.695 -2.334 -5.826 1.00 34.41 H new ATOM 0 HD22 LEU A 92 -10.708 -2.822 -4.446 1.00 34.41 H new ATOM 0 HD23 LEU A 92 -9.454 -1.578 -4.233 1.00 34.41 H new ATOM 1377 N TRP A 93 -5.302 -4.691 -3.117 1.00 74.53 N ATOM 1378 CA TRP A 93 -4.000 -4.092 -3.343 1.00 53.24 C ATOM 1379 C TRP A 93 -4.007 -3.331 -4.656 1.00 42.22 C ATOM 1380 O TRP A 93 -4.087 -3.924 -5.731 1.00 72.35 O ATOM 1381 CB TRP A 93 -2.904 -5.159 -3.396 1.00 12.53 C ATOM 1382 CG TRP A 93 -2.515 -5.761 -2.078 1.00 73.24 C ATOM 1383 CD1 TRP A 93 -2.833 -7.007 -1.620 1.00 4.22 C ATOM 1384 CD2 TRP A 93 -1.700 -5.158 -1.064 1.00 14.14 C ATOM 1385 NE1 TRP A 93 -2.253 -7.221 -0.391 1.00 33.35 N ATOM 1386 CE2 TRP A 93 -1.557 -6.097 -0.024 1.00 41.41 C ATOM 1387 CE3 TRP A 93 -1.076 -3.910 -0.938 1.00 42.45 C ATOM 1388 CZ2 TRP A 93 -0.810 -5.833 1.125 1.00 13.43 C ATOM 1389 CZ3 TRP A 93 -0.338 -3.651 0.199 1.00 33.31 C ATOM 1390 CH2 TRP A 93 -0.213 -4.605 1.217 1.00 3.01 C ATOM 0 H TRP A 93 -5.419 -5.618 -3.525 1.00 74.53 H new ATOM 0 HA TRP A 93 -3.793 -3.414 -2.515 1.00 53.24 H new ATOM 0 HB2 TRP A 93 -3.235 -5.960 -4.057 1.00 12.53 H new ATOM 0 HB3 TRP A 93 -2.016 -4.719 -3.849 1.00 12.53 H new ATOM 0 HD1 TRP A 93 -3.450 -7.721 -2.146 1.00 4.22 H new ATOM 0 HE1 TRP A 93 -2.328 -8.077 0.159 1.00 33.35 H new ATOM 0 HE3 TRP A 93 -1.171 -3.166 -1.715 1.00 42.45 H new ATOM 0 HZ2 TRP A 93 -0.707 -6.568 1.910 1.00 13.43 H new ATOM 0 HZ3 TRP A 93 0.152 -2.695 0.306 1.00 33.31 H new ATOM 0 HH2 TRP A 93 0.368 -4.366 2.095 1.00 3.01 H new ATOM 1401 N MET A 94 -3.914 -2.021 -4.560 1.00 21.10 N ATOM 1402 CA MET A 94 -3.909 -1.172 -5.735 1.00 73.32 C ATOM 1403 C MET A 94 -2.493 -0.703 -6.020 1.00 23.04 C ATOM 1404 O MET A 94 -1.919 0.099 -5.282 1.00 44.25 O ATOM 1405 CB MET A 94 -4.864 0.015 -5.561 1.00 11.44 C ATOM 1406 CG MET A 94 -6.330 -0.389 -5.490 1.00 44.44 C ATOM 1407 SD MET A 94 -7.441 1.005 -5.261 1.00 25.11 S ATOM 1408 CE MET A 94 -7.140 1.970 -6.745 1.00 1.14 C ATOM 0 H MET A 94 -3.840 -1.518 -3.676 1.00 21.10 H new ATOM 0 HA MET A 94 -4.264 -1.749 -6.589 1.00 73.32 H new ATOM 0 HB2 MET A 94 -4.599 0.553 -4.651 1.00 11.44 H new ATOM 0 HB3 MET A 94 -4.726 0.707 -6.392 1.00 11.44 H new ATOM 0 HG2 MET A 94 -6.600 -0.913 -6.407 1.00 44.44 H new ATOM 0 HG3 MET A 94 -6.467 -1.092 -4.669 1.00 44.44 H new ATOM 0 HE1 MET A 94 -7.953 2.682 -6.887 1.00 1.14 H new ATOM 0 HE2 MET A 94 -6.198 2.510 -6.643 1.00 1.14 H new ATOM 0 HE3 MET A 94 -7.086 1.305 -7.607 1.00 1.14 H new ATOM 1418 N PHE A 95 -1.925 -1.243 -7.085 1.00 74.41 N ATOM 1419 CA PHE A 95 -0.540 -0.966 -7.450 1.00 12.43 C ATOM 1420 C PHE A 95 -0.449 0.244 -8.378 1.00 10.44 C ATOM 1421 O PHE A 95 0.592 0.900 -8.460 1.00 40.54 O ATOM 1422 CB PHE A 95 0.078 -2.191 -8.148 1.00 70.33 C ATOM 1423 CG PHE A 95 -0.106 -3.492 -7.410 1.00 13.33 C ATOM 1424 CD1 PHE A 95 0.617 -3.767 -6.259 1.00 51.10 C ATOM 1425 CD2 PHE A 95 -1.014 -4.440 -7.867 1.00 22.01 C ATOM 1426 CE1 PHE A 95 0.445 -4.959 -5.584 1.00 45.50 C ATOM 1427 CE2 PHE A 95 -1.189 -5.633 -7.194 1.00 31.45 C ATOM 1428 CZ PHE A 95 -0.462 -5.892 -6.050 1.00 22.05 C ATOM 0 H PHE A 95 -2.404 -1.882 -7.719 1.00 74.41 H new ATOM 0 HA PHE A 95 0.011 -0.748 -6.535 1.00 12.43 H new ATOM 0 HB2 PHE A 95 -0.361 -2.287 -9.141 1.00 70.33 H new ATOM 0 HB3 PHE A 95 1.145 -2.014 -8.286 1.00 70.33 H new ATOM 0 HD1 PHE A 95 1.323 -3.040 -5.886 1.00 51.10 H new ATOM 0 HD2 PHE A 95 -1.589 -4.241 -8.759 1.00 22.01 H new ATOM 0 HE1 PHE A 95 1.019 -5.162 -4.692 1.00 45.50 H new ATOM 0 HE2 PHE A 95 -1.894 -6.363 -7.563 1.00 31.45 H new ATOM 0 HZ PHE A 95 -0.602 -6.822 -5.520 1.00 22.05 H new ATOM 1438 N GLY A 96 -1.549 0.519 -9.075 1.00 34.15 N ATOM 1439 CA GLY A 96 -1.576 1.529 -10.122 1.00 45.45 C ATOM 1440 C GLY A 96 -1.391 0.911 -11.494 1.00 15.24 C ATOM 1441 O GLY A 96 -1.749 1.500 -12.512 1.00 52.34 O ATOM 0 H GLY A 96 -2.442 0.048 -8.928 1.00 34.15 H new ATOM 0 HA2 GLY A 96 -2.525 2.065 -10.088 1.00 45.45 H new ATOM 0 HA3 GLY A 96 -0.789 2.262 -9.943 1.00 45.45 H new ATOM 1445 N ASP A 97 -0.840 -0.294 -11.501 1.00 60.40 N ATOM 1446 CA ASP A 97 -0.543 -1.018 -12.721 1.00 2.54 C ATOM 1447 C ASP A 97 -1.017 -2.467 -12.597 1.00 70.11 C ATOM 1448 O ASP A 97 -0.790 -3.106 -11.562 1.00 61.12 O ATOM 1449 CB ASP A 97 0.961 -0.952 -13.018 1.00 34.43 C ATOM 1450 CG ASP A 97 1.307 -1.498 -14.388 1.00 42.04 C ATOM 1451 OD1 ASP A 97 1.091 -0.789 -15.391 1.00 41.41 O ATOM 1452 OD2 ASP A 97 1.777 -2.646 -14.465 1.00 13.23 O ATOM 0 H ASP A 97 -0.586 -0.798 -10.651 1.00 60.40 H new ATOM 0 HA ASP A 97 -1.074 -0.556 -13.553 1.00 2.54 H new ATOM 0 HB2 ASP A 97 1.297 0.083 -12.948 1.00 34.43 H new ATOM 0 HB3 ASP A 97 1.503 -1.515 -12.259 1.00 34.43 H new ATOM 1457 N GLY A 98 -1.672 -2.970 -13.641 1.00 14.51 N ATOM 1458 CA GLY A 98 -2.048 -4.376 -13.699 1.00 60.13 C ATOM 1459 C GLY A 98 -3.338 -4.687 -12.962 1.00 34.41 C ATOM 1460 O GLY A 98 -4.187 -3.809 -12.779 1.00 41.02 O ATOM 0 H GLY A 98 -1.952 -2.424 -14.456 1.00 14.51 H new ATOM 0 HA2 GLY A 98 -2.154 -4.673 -14.742 1.00 60.13 H new ATOM 0 HA3 GLY A 98 -1.243 -4.977 -13.276 1.00 60.13 H new ATOM 1464 N ASN A 99 -3.484 -5.945 -12.558 1.00 10.11 N ATOM 1465 CA ASN A 99 -4.660 -6.388 -11.820 1.00 51.22 C ATOM 1466 C ASN A 99 -4.459 -6.211 -10.322 1.00 12.55 C ATOM 1467 O ASN A 99 -3.368 -6.437 -9.791 1.00 43.53 O ATOM 1468 CB ASN A 99 -5.018 -7.843 -12.143 1.00 51.14 C ATOM 1469 CG ASN A 99 -5.425 -8.047 -13.590 1.00 74.54 C ATOM 1470 OD1 ASN A 99 -4.598 -8.363 -14.440 1.00 54.00 O ATOM 1471 ND2 ASN A 99 -6.701 -7.859 -13.883 1.00 10.12 N ATOM 0 H ASN A 99 -2.797 -6.679 -12.731 1.00 10.11 H new ATOM 0 HA ASN A 99 -5.495 -5.762 -12.136 1.00 51.22 H new ATOM 0 HB2 ASN A 99 -4.162 -8.480 -11.919 1.00 51.14 H new ATOM 0 HB3 ASN A 99 -5.833 -8.163 -11.494 1.00 51.14 H new ATOM 0 HD21 ASN A 99 -7.027 -7.976 -14.843 1.00 10.12 H new ATOM 0 HD22 ASN A 99 -7.359 -7.597 -13.149 1.00 10.12 H new ATOM 1478 N THR A 100 -5.527 -5.794 -9.659 1.00 34.42 N ATOM 1479 CA THR A 100 -5.494 -5.490 -8.232 1.00 4.24 C ATOM 1480 C THR A 100 -5.618 -6.755 -7.381 1.00 64.11 C ATOM 1481 O THR A 100 -6.360 -7.678 -7.739 1.00 1.52 O ATOM 1482 CB THR A 100 -6.611 -4.491 -7.854 1.00 34.23 C ATOM 1483 OG1 THR A 100 -7.877 -4.929 -8.375 1.00 3.53 O ATOM 1484 CG2 THR A 100 -6.300 -3.103 -8.382 1.00 31.20 C ATOM 0 H THR A 100 -6.440 -5.656 -10.092 1.00 34.42 H new ATOM 0 HA THR A 100 -4.526 -5.034 -8.025 1.00 4.24 H new ATOM 0 HB THR A 100 -6.664 -4.450 -6.766 1.00 34.23 H new ATOM 0 HG1 THR A 100 -8.536 -4.210 -8.281 1.00 3.53 H new ATOM 0 HG21 THR A 100 -7.102 -2.419 -8.102 1.00 31.20 H new ATOM 0 HG22 THR A 100 -5.360 -2.754 -7.955 1.00 31.20 H new ATOM 0 HG23 THR A 100 -6.215 -3.137 -9.468 1.00 31.20 H new ATOM 1602 N THR A 109 7.601 -3.712 -8.295 1.00 62.25 N ATOM 1603 CA THR A 109 9.009 -3.805 -7.966 1.00 30.20 C ATOM 1604 C THR A 109 9.715 -2.671 -8.702 1.00 41.31 C ATOM 1605 O THR A 109 9.302 -2.297 -9.804 1.00 33.21 O ATOM 1606 CB THR A 109 9.574 -5.178 -8.392 1.00 64.13 C ATOM 1607 OG1 THR A 109 8.645 -6.197 -8.013 1.00 53.43 O ATOM 1608 CG2 THR A 109 10.922 -5.471 -7.742 1.00 11.23 C ATOM 0 HA THR A 109 9.165 -3.716 -6.891 1.00 30.20 H new ATOM 0 HB THR A 109 9.721 -5.160 -9.472 1.00 64.13 H new ATOM 0 HG1 THR A 109 7.731 -5.855 -8.100 1.00 53.43 H new ATOM 0 HG21 THR A 109 11.280 -6.447 -8.071 1.00 11.23 H new ATOM 0 HG22 THR A 109 11.640 -4.704 -8.032 1.00 11.23 H new ATOM 0 HG23 THR A 109 10.811 -5.472 -6.658 1.00 11.23 H new ATOM 1616 N PHE A 110 10.752 -2.115 -8.096 1.00 4.23 N ATOM 1617 CA PHE A 110 11.339 -0.870 -8.574 1.00 72.52 C ATOM 1618 C PHE A 110 12.525 -1.157 -9.494 1.00 30.21 C ATOM 1619 O PHE A 110 13.684 -1.114 -9.080 1.00 55.13 O ATOM 1620 CB PHE A 110 11.736 0.015 -7.378 1.00 10.32 C ATOM 1621 CG PHE A 110 10.683 0.062 -6.288 1.00 11.54 C ATOM 1622 CD1 PHE A 110 9.377 0.449 -6.565 1.00 50.24 C ATOM 1623 CD2 PHE A 110 10.998 -0.297 -4.991 1.00 1.11 C ATOM 1624 CE1 PHE A 110 8.416 0.474 -5.574 1.00 32.43 C ATOM 1625 CE2 PHE A 110 10.038 -0.270 -3.998 1.00 51.01 C ATOM 1626 CZ PHE A 110 8.748 0.116 -4.290 1.00 64.23 C ATOM 0 H PHE A 110 11.206 -2.506 -7.271 1.00 4.23 H new ATOM 0 HA PHE A 110 10.601 -0.323 -9.162 1.00 72.52 H new ATOM 0 HB2 PHE A 110 12.670 -0.356 -6.955 1.00 10.32 H new ATOM 0 HB3 PHE A 110 11.927 1.028 -7.733 1.00 10.32 H new ATOM 0 HD1 PHE A 110 9.110 0.735 -7.572 1.00 50.24 H new ATOM 0 HD2 PHE A 110 12.006 -0.602 -4.751 1.00 1.11 H new ATOM 0 HE1 PHE A 110 7.405 0.774 -5.808 1.00 32.43 H new ATOM 0 HE2 PHE A 110 10.300 -0.553 -2.989 1.00 51.01 H new ATOM 0 HZ PHE A 110 8.000 0.137 -3.511 1.00 64.23 H new ATOM 1636 N PHE A 111 12.199 -1.486 -10.746 1.00 12.32 N ATOM 1637 CA PHE A 111 13.194 -1.839 -11.762 1.00 63.14 C ATOM 1638 C PHE A 111 13.792 -0.585 -12.390 1.00 71.35 C ATOM 1639 O PHE A 111 14.978 -0.542 -12.725 1.00 42.54 O ATOM 1640 CB PHE A 111 12.557 -2.685 -12.875 1.00 73.43 C ATOM 1641 CG PHE A 111 11.957 -3.993 -12.425 1.00 52.30 C ATOM 1642 CD1 PHE A 111 12.765 -5.071 -12.097 1.00 24.01 C ATOM 1643 CD2 PHE A 111 10.582 -4.152 -12.353 1.00 44.04 C ATOM 1644 CE1 PHE A 111 12.214 -6.277 -11.705 1.00 3.35 C ATOM 1645 CE2 PHE A 111 10.027 -5.352 -11.960 1.00 11.34 C ATOM 1646 CZ PHE A 111 10.844 -6.417 -11.636 1.00 23.53 C ATOM 0 H PHE A 111 11.237 -1.515 -11.084 1.00 12.32 H new ATOM 0 HA PHE A 111 13.978 -2.412 -11.267 1.00 63.14 H new ATOM 0 HB2 PHE A 111 11.779 -2.094 -13.358 1.00 73.43 H new ATOM 0 HB3 PHE A 111 13.315 -2.892 -13.630 1.00 73.43 H new ATOM 0 HD1 PHE A 111 13.839 -4.967 -12.148 1.00 24.01 H new ATOM 0 HD2 PHE A 111 9.936 -3.325 -12.608 1.00 44.04 H new ATOM 0 HE1 PHE A 111 12.856 -7.108 -11.453 1.00 3.35 H new ATOM 0 HE2 PHE A 111 8.954 -5.459 -11.906 1.00 11.34 H new ATOM 0 HZ PHE A 111 10.411 -7.358 -11.329 1.00 23.53 H new ATOM 1656 N ASN A 112 12.950 0.428 -12.534 1.00 12.35 N ATOM 1657 CA ASN A 112 13.311 1.686 -13.175 1.00 53.14 C ATOM 1658 C ASN A 112 12.896 2.836 -12.282 1.00 74.33 C ATOM 1659 O ASN A 112 12.067 2.649 -11.393 1.00 63.40 O ATOM 1660 CB ASN A 112 12.624 1.820 -14.543 1.00 11.21 C ATOM 1661 CG ASN A 112 13.315 1.037 -15.642 1.00 53.34 C ATOM 1662 OD1 ASN A 112 14.534 0.901 -15.656 1.00 62.23 O ATOM 1663 ND2 ASN A 112 12.542 0.518 -16.581 1.00 22.31 N ATOM 0 H ASN A 112 11.985 0.400 -12.205 1.00 12.35 H new ATOM 0 HA ASN A 112 14.390 1.704 -13.330 1.00 53.14 H new ATOM 0 HB2 ASN A 112 11.592 1.480 -14.458 1.00 11.21 H new ATOM 0 HB3 ASN A 112 12.590 2.873 -14.823 1.00 11.21 H new ATOM 0 HD21 ASN A 112 12.956 -0.014 -17.346 1.00 22.31 H new ATOM 0 HD22 ASN A 112 11.531 0.650 -16.540 1.00 22.31 H new ATOM 1670 N GLU A 113 13.450 4.015 -12.544 1.00 54.21 N ATOM 1671 CA GLU A 113 13.165 5.216 -11.752 1.00 71.41 C ATOM 1672 C GLU A 113 11.775 5.769 -12.048 1.00 2.54 C ATOM 1673 O GLU A 113 11.204 5.523 -13.113 1.00 31.32 O ATOM 1674 CB GLU A 113 14.209 6.323 -12.003 1.00 51.52 C ATOM 1675 CG GLU A 113 15.520 6.147 -11.245 1.00 41.12 C ATOM 1676 CD GLU A 113 16.378 5.013 -11.767 1.00 1.12 C ATOM 1677 OE1 GLU A 113 16.935 5.153 -12.876 1.00 24.35 O ATOM 1678 OE2 GLU A 113 16.521 3.991 -11.071 1.00 5.21 O ATOM 0 H GLU A 113 14.108 4.170 -13.308 1.00 54.21 H new ATOM 0 HA GLU A 113 13.212 4.911 -10.707 1.00 71.41 H new ATOM 0 HB2 GLU A 113 14.425 6.364 -13.071 1.00 51.52 H new ATOM 0 HB3 GLU A 113 13.773 7.284 -11.729 1.00 51.52 H new ATOM 0 HG2 GLU A 113 16.088 7.076 -11.299 1.00 41.12 H new ATOM 0 HG3 GLU A 113 15.300 5.969 -10.192 1.00 41.12 H new ATOM 1685 N GLY A 114 11.254 6.527 -11.104 1.00 54.34 N ATOM 1686 CA GLY A 114 9.941 7.102 -11.252 1.00 71.53 C ATOM 1687 C GLY A 114 9.291 7.344 -9.916 1.00 53.10 C ATOM 1688 O GLY A 114 9.930 7.196 -8.869 1.00 40.31 O ATOM 0 H GLY A 114 11.723 6.756 -10.228 1.00 54.34 H new ATOM 0 HA2 GLY A 114 10.014 8.043 -11.798 1.00 71.53 H new ATOM 0 HA3 GLY A 114 9.316 6.436 -11.847 1.00 71.53 H new ATOM 1692 N GLU A 115 8.029 7.721 -9.940 1.00 12.43 N ATOM 1693 CA GLU A 115 7.291 7.953 -8.719 1.00 61.20 C ATOM 1694 C GLU A 115 6.179 6.920 -8.594 1.00 4.44 C ATOM 1695 O GLU A 115 5.249 6.874 -9.404 1.00 54.32 O ATOM 1696 CB GLU A 115 6.743 9.375 -8.687 1.00 52.53 C ATOM 1697 CG GLU A 115 6.241 9.788 -7.316 1.00 42.32 C ATOM 1698 CD GLU A 115 6.036 11.273 -7.202 1.00 2.12 C ATOM 1699 OE1 GLU A 115 6.998 11.980 -6.856 1.00 60.21 O ATOM 1700 OE2 GLU A 115 4.907 11.742 -7.441 1.00 65.35 O ATOM 0 H GLU A 115 7.493 7.873 -10.795 1.00 12.43 H new ATOM 0 HA GLU A 115 7.959 7.845 -7.864 1.00 61.20 H new ATOM 0 HB2 GLU A 115 7.524 10.066 -9.005 1.00 52.53 H new ATOM 0 HB3 GLU A 115 5.929 9.461 -9.407 1.00 52.53 H new ATOM 0 HG2 GLU A 115 5.301 9.278 -7.108 1.00 42.32 H new ATOM 0 HG3 GLU A 115 6.954 9.464 -6.558 1.00 42.32 H new ATOM 1707 N TYR A 116 6.308 6.086 -7.580 1.00 40.21 N ATOM 1708 CA TYR A 116 5.441 4.935 -7.396 1.00 31.40 C ATOM 1709 C TYR A 116 4.406 5.248 -6.336 1.00 55.20 C ATOM 1710 O TYR A 116 4.643 6.065 -5.458 1.00 13.22 O ATOM 1711 CB TYR A 116 6.251 3.709 -6.942 1.00 63.11 C ATOM 1712 CG TYR A 116 7.675 3.663 -7.454 1.00 23.23 C ATOM 1713 CD1 TYR A 116 7.983 3.110 -8.689 1.00 5.11 C ATOM 1714 CD2 TYR A 116 8.717 4.158 -6.679 1.00 3.33 C ATOM 1715 CE1 TYR A 116 9.290 3.064 -9.137 1.00 14.52 C ATOM 1716 CE2 TYR A 116 10.017 4.118 -7.120 1.00 14.25 C ATOM 1717 CZ TYR A 116 10.302 3.564 -8.345 1.00 22.22 C ATOM 1718 OH TYR A 116 11.598 3.517 -8.783 1.00 42.32 O ATOM 0 H TYR A 116 7.020 6.187 -6.857 1.00 40.21 H new ATOM 0 HA TYR A 116 4.959 4.714 -8.348 1.00 31.40 H new ATOM 0 HB2 TYR A 116 6.271 3.688 -5.852 1.00 63.11 H new ATOM 0 HB3 TYR A 116 5.733 2.808 -7.269 1.00 63.11 H new ATOM 0 HD1 TYR A 116 7.192 2.711 -9.307 1.00 5.11 H new ATOM 0 HD2 TYR A 116 8.500 4.583 -5.710 1.00 3.33 H new ATOM 0 HE1 TYR A 116 9.517 2.638 -10.103 1.00 14.52 H new ATOM 0 HE2 TYR A 116 10.811 4.520 -6.508 1.00 14.25 H new ATOM 0 HH TYR A 116 11.620 3.181 -9.703 1.00 42.32 H new ATOM 1728 N ILE A 117 3.247 4.619 -6.426 1.00 1.23 N ATOM 1729 CA ILE A 117 2.220 4.785 -5.411 1.00 64.02 C ATOM 1730 C ILE A 117 1.759 3.418 -4.903 1.00 2.04 C ATOM 1731 O ILE A 117 1.316 2.572 -5.685 1.00 55.55 O ATOM 1732 CB ILE A 117 1.001 5.610 -5.936 1.00 70.32 C ATOM 1733 CG1 ILE A 117 1.451 6.991 -6.454 1.00 70.14 C ATOM 1734 CG2 ILE A 117 -0.041 5.783 -4.832 1.00 3.05 C ATOM 1735 CD1 ILE A 117 0.374 7.772 -7.179 1.00 24.12 C ATOM 0 H ILE A 117 2.994 3.991 -7.188 1.00 1.23 H new ATOM 0 HA ILE A 117 2.660 5.348 -4.588 1.00 64.02 H new ATOM 0 HB ILE A 117 0.554 5.059 -6.764 1.00 70.32 H new ATOM 0 HG12 ILE A 117 1.806 7.583 -5.611 1.00 70.14 H new ATOM 0 HG13 ILE A 117 2.298 6.854 -7.126 1.00 70.14 H new ATOM 0 HG21 ILE A 117 -0.883 6.360 -5.214 1.00 3.05 H new ATOM 0 HG22 ILE A 117 -0.390 4.804 -4.505 1.00 3.05 H new ATOM 0 HG23 ILE A 117 0.406 6.309 -3.989 1.00 3.05 H new ATOM 0 HD11 ILE A 117 0.778 8.729 -7.508 1.00 24.12 H new ATOM 0 HD12 ILE A 117 0.034 7.205 -8.045 1.00 24.12 H new ATOM 0 HD13 ILE A 117 -0.466 7.945 -6.506 1.00 24.12 H new ATOM 1747 N VAL A 118 1.916 3.193 -3.600 1.00 64.11 N ATOM 1748 CA VAL A 118 1.317 2.032 -2.951 1.00 44.02 C ATOM 1749 C VAL A 118 -0.034 2.436 -2.375 1.00 51.10 C ATOM 1750 O VAL A 118 -0.109 3.341 -1.539 1.00 33.22 O ATOM 1751 CB VAL A 118 2.189 1.437 -1.806 1.00 61.32 C ATOM 1752 CG1 VAL A 118 1.510 0.228 -1.172 1.00 62.32 C ATOM 1753 CG2 VAL A 118 3.565 1.039 -2.302 1.00 32.10 C ATOM 0 H VAL A 118 2.451 3.797 -2.976 1.00 64.11 H new ATOM 0 HA VAL A 118 1.222 1.258 -3.713 1.00 44.02 H new ATOM 0 HB VAL A 118 2.302 2.219 -1.055 1.00 61.32 H new ATOM 0 HG11 VAL A 118 2.141 -0.167 -0.376 1.00 62.32 H new ATOM 0 HG12 VAL A 118 0.547 0.527 -0.758 1.00 62.32 H new ATOM 0 HG13 VAL A 118 1.356 -0.541 -1.929 1.00 62.32 H new ATOM 0 HG21 VAL A 118 4.145 0.628 -1.476 1.00 32.10 H new ATOM 0 HG22 VAL A 118 3.466 0.287 -3.085 1.00 32.10 H new ATOM 0 HG23 VAL A 118 4.075 1.915 -2.703 1.00 32.10 H new ATOM 1763 N SER A 119 -1.086 1.778 -2.833 1.00 70.04 N ATOM 1764 CA SER A 119 -2.407 1.998 -2.298 1.00 21.33 C ATOM 1765 C SER A 119 -2.926 0.709 -1.677 1.00 31.25 C ATOM 1766 O SER A 119 -2.983 -0.339 -2.320 1.00 33.34 O ATOM 1767 CB SER A 119 -3.351 2.504 -3.392 1.00 22.04 C ATOM 1768 OG SER A 119 -4.637 2.782 -2.869 1.00 14.41 O ATOM 0 H SER A 119 -1.043 1.084 -3.579 1.00 70.04 H new ATOM 0 HA SER A 119 -2.359 2.763 -1.523 1.00 21.33 H new ATOM 0 HB2 SER A 119 -2.937 3.405 -3.845 1.00 22.04 H new ATOM 0 HB3 SER A 119 -3.430 1.757 -4.182 1.00 22.04 H new ATOM 0 HG SER A 119 -5.220 3.105 -3.588 1.00 14.41 H new ATOM 1774 N LEU A 120 -3.270 0.793 -0.412 1.00 21.25 N ATOM 1775 CA LEU A 120 -3.835 -0.325 0.310 1.00 1.12 C ATOM 1776 C LEU A 120 -5.199 0.073 0.830 1.00 34.11 C ATOM 1777 O LEU A 120 -5.335 1.025 1.589 1.00 74.11 O ATOM 1778 CB LEU A 120 -2.882 -0.748 1.439 1.00 51.44 C ATOM 1779 CG LEU A 120 -3.340 -1.863 2.401 1.00 53.03 C ATOM 1780 CD1 LEU A 120 -3.856 -3.097 1.659 1.00 10.33 C ATOM 1781 CD2 LEU A 120 -2.177 -2.247 3.283 1.00 65.20 C ATOM 0 H LEU A 120 -3.166 1.640 0.147 1.00 21.25 H new ATOM 0 HA LEU A 120 -3.959 -1.187 -0.346 1.00 1.12 H new ATOM 0 HB2 LEU A 120 -1.945 -1.067 0.982 1.00 51.44 H new ATOM 0 HB3 LEU A 120 -2.660 0.136 2.036 1.00 51.44 H new ATOM 0 HG LEU A 120 -4.169 -1.479 2.996 1.00 53.03 H new ATOM 0 HD11 LEU A 120 -4.166 -3.853 2.381 1.00 10.33 H new ATOM 0 HD12 LEU A 120 -4.707 -2.818 1.037 1.00 10.33 H new ATOM 0 HD13 LEU A 120 -3.063 -3.501 1.029 1.00 10.33 H new ATOM 0 HD21 LEU A 120 -2.486 -3.035 3.969 1.00 65.20 H new ATOM 0 HD22 LEU A 120 -1.354 -2.606 2.665 1.00 65.20 H new ATOM 0 HD23 LEU A 120 -1.850 -1.377 3.853 1.00 65.20 H new ATOM 1793 N ILE A 121 -6.204 -0.651 0.387 1.00 70.15 N ATOM 1794 CA ILE A 121 -7.568 -0.398 0.790 1.00 43.52 C ATOM 1795 C ILE A 121 -8.205 -1.711 1.217 1.00 0.02 C ATOM 1796 O ILE A 121 -8.121 -2.713 0.523 1.00 44.21 O ATOM 1797 CB ILE A 121 -8.374 0.354 -0.338 1.00 64.14 C ATOM 1798 CG1 ILE A 121 -9.857 0.655 0.060 1.00 41.13 C ATOM 1799 CG2 ILE A 121 -8.273 -0.349 -1.693 1.00 43.50 C ATOM 1800 CD1 ILE A 121 -10.893 -0.411 -0.282 1.00 54.11 C ATOM 0 H ILE A 121 -6.097 -1.431 -0.262 1.00 70.15 H new ATOM 0 HA ILE A 121 -7.585 0.276 1.646 1.00 43.52 H new ATOM 0 HB ILE A 121 -7.890 1.325 -0.447 1.00 64.14 H new ATOM 0 HG12 ILE A 121 -9.891 0.829 1.136 1.00 41.13 H new ATOM 0 HG13 ILE A 121 -10.156 1.586 -0.423 1.00 41.13 H new ATOM 0 HG21 ILE A 121 -8.845 0.208 -2.435 1.00 43.50 H new ATOM 0 HG22 ILE A 121 -7.228 -0.397 -2.001 1.00 43.50 H new ATOM 0 HG23 ILE A 121 -8.674 -1.359 -1.610 1.00 43.50 H new ATOM 0 HD11 ILE A 121 -11.878 -0.080 0.046 1.00 54.11 H new ATOM 0 HD12 ILE A 121 -10.905 -0.574 -1.360 1.00 54.11 H new ATOM 0 HD13 ILE A 121 -10.637 -1.343 0.223 1.00 54.11 H new ATOM 1812 N VAL A 122 -8.784 -1.708 2.392 1.00 33.11 N ATOM 1813 CA VAL A 122 -9.482 -2.869 2.904 1.00 44.32 C ATOM 1814 C VAL A 122 -10.967 -2.554 3.058 1.00 61.55 C ATOM 1815 O VAL A 122 -11.342 -1.413 3.313 1.00 42.31 O ATOM 1816 CB VAL A 122 -8.871 -3.377 4.236 1.00 1.23 C ATOM 1817 CG1 VAL A 122 -7.540 -4.066 3.981 1.00 51.23 C ATOM 1818 CG2 VAL A 122 -8.676 -2.245 5.230 1.00 61.35 C ATOM 0 H VAL A 122 -8.787 -0.905 3.021 1.00 33.11 H new ATOM 0 HA VAL A 122 -9.366 -3.678 2.183 1.00 44.32 H new ATOM 0 HB VAL A 122 -9.574 -4.091 4.665 1.00 1.23 H new ATOM 0 HG11 VAL A 122 -7.125 -4.416 4.926 1.00 51.23 H new ATOM 0 HG12 VAL A 122 -7.692 -4.915 3.314 1.00 51.23 H new ATOM 0 HG13 VAL A 122 -6.848 -3.361 3.520 1.00 51.23 H new ATOM 0 HG21 VAL A 122 -8.246 -2.639 6.151 1.00 61.35 H new ATOM 0 HG22 VAL A 122 -8.003 -1.500 4.805 1.00 61.35 H new ATOM 0 HG23 VAL A 122 -9.639 -1.782 5.448 1.00 61.35 H new ATOM 1828 N SER A 123 -11.810 -3.557 2.888 1.00 11.30 N ATOM 1829 CA SER A 123 -13.249 -3.351 2.848 1.00 62.22 C ATOM 1830 C SER A 123 -13.926 -4.171 3.932 1.00 75.42 C ATOM 1831 O SER A 123 -13.412 -5.204 4.337 1.00 12.14 O ATOM 1832 CB SER A 123 -13.800 -3.746 1.475 1.00 11.30 C ATOM 1833 OG SER A 123 -13.156 -3.023 0.444 1.00 42.22 O ATOM 0 H SER A 123 -11.521 -4.529 2.775 1.00 11.30 H new ATOM 0 HA SER A 123 -13.456 -2.295 3.022 1.00 62.22 H new ATOM 0 HB2 SER A 123 -13.660 -4.815 1.317 1.00 11.30 H new ATOM 0 HB3 SER A 123 -14.873 -3.557 1.441 1.00 11.30 H new ATOM 0 HG SER A 123 -13.523 -3.293 -0.424 1.00 42.22 H new ATOM 1839 N ASN A 124 -15.069 -3.692 4.393 1.00 43.23 N ATOM 1840 CA ASN A 124 -15.858 -4.352 5.427 1.00 52.23 C ATOM 1841 C ASN A 124 -17.341 -4.100 5.099 1.00 43.13 C ATOM 1842 O ASN A 124 -17.634 -3.428 4.108 1.00 12.24 O ATOM 1843 CB ASN A 124 -15.455 -3.764 6.804 1.00 61.51 C ATOM 1844 CG ASN A 124 -15.953 -4.538 8.014 1.00 21.12 C ATOM 1845 OD1 ASN A 124 -17.017 -4.251 8.542 1.00 51.23 O ATOM 1846 ND2 ASN A 124 -15.171 -5.497 8.474 1.00 71.54 N ATOM 0 H ASN A 124 -15.483 -2.822 4.057 1.00 43.23 H new ATOM 0 HA ASN A 124 -15.683 -5.427 5.464 1.00 52.23 H new ATOM 0 HB2 ASN A 124 -14.367 -3.708 6.852 1.00 61.51 H new ATOM 0 HB3 ASN A 124 -15.830 -2.742 6.868 1.00 61.51 H new ATOM 0 HD21 ASN A 124 -15.448 -6.029 9.299 1.00 71.54 H new ATOM 0 HD22 ASN A 124 -14.290 -5.706 8.004 1.00 71.54 H new ATOM 1853 N GLU A 125 -18.262 -4.617 5.916 1.00 73.44 N ATOM 1854 CA GLU A 125 -19.700 -4.391 5.731 1.00 42.13 C ATOM 1855 C GLU A 125 -20.112 -2.977 6.173 1.00 64.45 C ATOM 1856 O GLU A 125 -21.191 -2.499 5.806 1.00 4.05 O ATOM 1857 CB GLU A 125 -20.507 -5.439 6.512 1.00 33.35 C ATOM 1858 CG GLU A 125 -20.166 -5.514 8.000 1.00 32.14 C ATOM 1859 CD GLU A 125 -21.014 -6.515 8.746 1.00 50.24 C ATOM 1860 OE1 GLU A 125 -20.764 -7.730 8.617 1.00 73.11 O ATOM 1861 OE2 GLU A 125 -21.932 -6.093 9.471 1.00 12.02 O ATOM 0 H GLU A 125 -18.035 -5.201 6.721 1.00 73.44 H new ATOM 0 HA GLU A 125 -19.915 -4.487 4.667 1.00 42.13 H new ATOM 0 HB2 GLU A 125 -21.569 -5.217 6.405 1.00 33.35 H new ATOM 0 HB3 GLU A 125 -20.340 -6.418 6.063 1.00 33.35 H new ATOM 0 HG2 GLU A 125 -19.115 -5.779 8.114 1.00 32.14 H new ATOM 0 HG3 GLU A 125 -20.297 -4.529 8.448 1.00 32.14 H new ATOM 1868 N ASN A 126 -19.249 -2.312 6.946 1.00 32.00 N ATOM 1869 CA ASN A 126 -19.525 -0.966 7.436 1.00 10.13 C ATOM 1870 C ASN A 126 -19.015 0.064 6.448 1.00 74.42 C ATOM 1871 O ASN A 126 -19.787 0.852 5.907 1.00 33.42 O ATOM 1872 CB ASN A 126 -18.856 -0.717 8.793 1.00 70.12 C ATOM 1873 CG ASN A 126 -19.488 -1.489 9.922 1.00 42.33 C ATOM 1874 OD1 ASN A 126 -20.428 -1.014 10.555 1.00 42.13 O ATOM 1875 ND2 ASN A 126 -18.963 -2.666 10.206 1.00 64.13 N ATOM 0 H ASN A 126 -18.350 -2.689 7.245 1.00 32.00 H new ATOM 0 HA ASN A 126 -20.605 -0.875 7.551 1.00 10.13 H new ATOM 0 HB2 ASN A 126 -17.802 -0.985 8.725 1.00 70.12 H new ATOM 0 HB3 ASN A 126 -18.900 0.348 9.021 1.00 70.12 H new ATOM 0 HD21 ASN A 126 -19.338 -3.219 10.977 1.00 64.13 H new ATOM 0 HD22 ASN A 126 -18.183 -3.023 9.654 1.00 64.13 H new ATOM 1882 N ASP A 127 -17.707 0.017 6.200 1.00 11.24 N ATOM 1883 CA ASP A 127 -17.021 1.009 5.379 1.00 72.30 C ATOM 1884 C ASP A 127 -15.842 0.372 4.679 1.00 13.31 C ATOM 1885 O ASP A 127 -15.542 -0.800 4.893 1.00 55.43 O ATOM 1886 CB ASP A 127 -16.499 2.184 6.231 1.00 21.33 C ATOM 1887 CG ASP A 127 -17.599 3.086 6.760 1.00 55.45 C ATOM 1888 OD1 ASP A 127 -18.050 3.985 6.021 1.00 40.51 O ATOM 1889 OD2 ASP A 127 -18.014 2.900 7.920 1.00 25.42 O ATOM 0 H ASP A 127 -17.094 -0.712 6.564 1.00 11.24 H new ATOM 0 HA ASP A 127 -17.742 1.387 4.654 1.00 72.30 H new ATOM 0 HB2 ASP A 127 -15.930 1.788 7.072 1.00 21.33 H new ATOM 0 HB3 ASP A 127 -15.810 2.779 5.631 1.00 21.33 H new ATOM 1894 N SER A 128 -15.183 1.151 3.841 1.00 13.13 N ATOM 1895 CA SER A 128 -13.910 0.765 3.264 1.00 21.21 C ATOM 1896 C SER A 128 -12.881 1.839 3.597 1.00 32.24 C ATOM 1897 O SER A 128 -13.147 3.034 3.437 1.00 40.23 O ATOM 1898 CB SER A 128 -14.050 0.550 1.751 1.00 12.51 C ATOM 1899 OG SER A 128 -14.763 1.616 1.144 1.00 51.24 O ATOM 0 H SER A 128 -15.515 2.068 3.542 1.00 13.13 H new ATOM 0 HA SER A 128 -13.575 -0.183 3.685 1.00 21.21 H new ATOM 0 HB2 SER A 128 -13.061 0.467 1.300 1.00 12.51 H new ATOM 0 HB3 SER A 128 -14.567 -0.391 1.561 1.00 12.51 H new ATOM 0 HG SER A 128 -14.836 1.454 0.180 1.00 51.24 H new ATOM 1905 N ASP A 129 -11.735 1.419 4.098 1.00 53.11 N ATOM 1906 CA ASP A 129 -10.724 2.345 4.578 1.00 11.25 C ATOM 1907 C ASP A 129 -9.462 2.180 3.758 1.00 25.45 C ATOM 1908 O ASP A 129 -9.039 1.055 3.509 1.00 52.13 O ATOM 1909 CB ASP A 129 -10.446 2.065 6.060 1.00 5.34 C ATOM 1910 CG ASP A 129 -9.615 3.143 6.718 1.00 23.41 C ATOM 1911 OD1 ASP A 129 -10.194 4.178 7.108 1.00 50.41 O ATOM 1912 OD2 ASP A 129 -8.393 2.965 6.849 1.00 2.34 O ATOM 0 H ASP A 129 -11.479 0.435 4.184 1.00 53.11 H new ATOM 0 HA ASP A 129 -11.076 3.371 4.474 1.00 11.25 H new ATOM 0 HB2 ASP A 129 -11.394 1.970 6.590 1.00 5.34 H new ATOM 0 HB3 ASP A 129 -9.931 1.109 6.153 1.00 5.34 H new ATOM 1917 N SER A 130 -8.879 3.287 3.313 1.00 21.52 N ATOM 1918 CA SER A 130 -7.672 3.234 2.506 1.00 24.23 C ATOM 1919 C SER A 130 -6.577 4.139 3.055 1.00 4.11 C ATOM 1920 O SER A 130 -6.844 5.184 3.655 1.00 23.33 O ATOM 1921 CB SER A 130 -7.972 3.609 1.047 1.00 35.00 C ATOM 1922 OG SER A 130 -8.569 4.888 0.946 1.00 63.40 O ATOM 0 H SER A 130 -9.224 4.229 3.498 1.00 21.52 H new ATOM 0 HA SER A 130 -7.311 2.206 2.546 1.00 24.23 H new ATOM 0 HB2 SER A 130 -7.047 3.593 0.470 1.00 35.00 H new ATOM 0 HB3 SER A 130 -8.635 2.863 0.609 1.00 35.00 H new ATOM 0 HG SER A 130 -8.744 5.094 0.004 1.00 63.40 H new ATOM 1928 N ALA A 131 -5.347 3.699 2.847 1.00 34.41 N ATOM 1929 CA ALA A 131 -4.163 4.506 3.063 1.00 42.31 C ATOM 1930 C ALA A 131 -3.267 4.368 1.843 1.00 50.53 C ATOM 1931 O ALA A 131 -3.117 3.274 1.294 1.00 52.34 O ATOM 1932 CB ALA A 131 -3.426 4.081 4.324 1.00 32.51 C ATOM 0 H ALA A 131 -5.143 2.755 2.518 1.00 34.41 H new ATOM 0 HA ALA A 131 -4.452 5.548 3.201 1.00 42.31 H new ATOM 0 HB1 ALA A 131 -2.543 4.706 4.457 1.00 32.51 H new ATOM 0 HB2 ALA A 131 -4.084 4.194 5.186 1.00 32.51 H new ATOM 0 HB3 ALA A 131 -3.122 3.038 4.234 1.00 32.51 H new ATOM 1938 N SER A 132 -2.698 5.473 1.404 1.00 71.54 N ATOM 1939 CA SER A 132 -1.868 5.471 0.217 1.00 55.32 C ATOM 1940 C SER A 132 -0.676 6.390 0.436 1.00 41.20 C ATOM 1941 O SER A 132 -0.811 7.441 1.065 1.00 21.45 O ATOM 1942 CB SER A 132 -2.700 5.917 -0.995 1.00 14.15 C ATOM 1943 OG SER A 132 -2.005 5.701 -2.205 1.00 52.43 O ATOM 0 H SER A 132 -2.796 6.384 1.852 1.00 71.54 H new ATOM 0 HA SER A 132 -1.496 4.465 0.021 1.00 55.32 H new ATOM 0 HB2 SER A 132 -3.642 5.370 -1.012 1.00 14.15 H new ATOM 0 HB3 SER A 132 -2.947 6.974 -0.899 1.00 14.15 H new ATOM 0 HG SER A 132 -1.371 4.963 -2.091 1.00 52.43 H new ATOM 1949 N VAL A 133 0.495 5.995 -0.058 1.00 33.24 N ATOM 1950 CA VAL A 133 1.702 6.800 0.110 1.00 34.41 C ATOM 1951 C VAL A 133 2.437 6.957 -1.212 1.00 44.35 C ATOM 1952 O VAL A 133 2.287 6.145 -2.133 1.00 64.53 O ATOM 1953 CB VAL A 133 2.701 6.236 1.164 1.00 44.35 C ATOM 1954 CG1 VAL A 133 2.147 6.340 2.578 1.00 72.42 C ATOM 1955 CG2 VAL A 133 3.096 4.799 0.847 1.00 73.23 C ATOM 0 H VAL A 133 0.634 5.127 -0.575 1.00 33.24 H new ATOM 0 HA VAL A 133 1.347 7.763 0.476 1.00 34.41 H new ATOM 0 HB VAL A 133 3.598 6.853 1.111 1.00 44.35 H new ATOM 0 HG11 VAL A 133 2.873 5.936 3.284 1.00 72.42 H new ATOM 0 HG12 VAL A 133 1.952 7.386 2.816 1.00 72.42 H new ATOM 0 HG13 VAL A 133 1.219 5.773 2.648 1.00 72.42 H new ATOM 0 HG21 VAL A 133 3.794 4.438 1.603 1.00 73.23 H new ATOM 0 HG22 VAL A 133 2.206 4.169 0.844 1.00 73.23 H new ATOM 0 HG23 VAL A 133 3.571 4.760 -0.133 1.00 73.23 H new ATOM 1965 N THR A 134 3.231 8.008 -1.283 1.00 12.32 N ATOM 1966 CA THR A 134 4.075 8.267 -2.424 1.00 31.31 C ATOM 1967 C THR A 134 5.466 7.686 -2.179 1.00 10.40 C ATOM 1968 O THR A 134 6.197 8.134 -1.296 1.00 2.34 O ATOM 1969 CB THR A 134 4.153 9.785 -2.695 1.00 3.31 C ATOM 1970 OG1 THR A 134 2.834 10.305 -2.908 1.00 14.44 O ATOM 1971 CG2 THR A 134 5.012 10.107 -3.903 1.00 11.43 C ATOM 0 H THR A 134 3.306 8.708 -0.544 1.00 12.32 H new ATOM 0 HA THR A 134 3.648 7.787 -3.304 1.00 31.31 H new ATOM 0 HB THR A 134 4.612 10.248 -1.822 1.00 3.31 H new ATOM 0 HG1 THR A 134 2.886 11.269 -3.078 1.00 14.44 H new ATOM 0 HG21 THR A 134 5.037 11.186 -4.054 1.00 11.43 H new ATOM 0 HG22 THR A 134 6.025 9.740 -3.737 1.00 11.43 H new ATOM 0 HG23 THR A 134 4.592 9.626 -4.787 1.00 11.43 H new ATOM 1979 N ILE A 135 5.808 6.676 -2.962 1.00 12.03 N ATOM 1980 CA ILE A 135 7.122 6.055 -2.896 1.00 23.50 C ATOM 1981 C ILE A 135 8.026 6.811 -3.851 1.00 25.13 C ATOM 1982 O ILE A 135 7.712 6.959 -5.034 1.00 24.20 O ATOM 1983 CB ILE A 135 7.098 4.547 -3.293 1.00 43.20 C ATOM 1984 CG1 ILE A 135 5.983 3.784 -2.558 1.00 12.41 C ATOM 1985 CG2 ILE A 135 8.457 3.884 -3.032 1.00 25.12 C ATOM 1986 CD1 ILE A 135 6.101 3.769 -1.041 1.00 22.41 C ATOM 0 H ILE A 135 5.186 6.265 -3.658 1.00 12.03 H new ATOM 0 HA ILE A 135 7.479 6.101 -1.867 1.00 23.50 H new ATOM 0 HB ILE A 135 6.889 4.501 -4.362 1.00 43.20 H new ATOM 0 HG12 ILE A 135 5.024 4.226 -2.828 1.00 12.41 H new ATOM 0 HG13 ILE A 135 5.972 2.755 -2.916 1.00 12.41 H new ATOM 0 HG21 ILE A 135 8.410 2.833 -3.318 1.00 25.12 H new ATOM 0 HG22 ILE A 135 9.226 4.386 -3.619 1.00 25.12 H new ATOM 0 HG23 ILE A 135 8.702 3.961 -1.973 1.00 25.12 H new ATOM 0 HD11 ILE A 135 5.269 3.207 -0.617 1.00 22.41 H new ATOM 0 HD12 ILE A 135 7.041 3.298 -0.754 1.00 22.41 H new ATOM 0 HD13 ILE A 135 6.078 4.792 -0.664 1.00 22.41 H new ATOM 1998 N ARG A 136 9.140 7.286 -3.341 1.00 43.43 N ATOM 1999 CA ARG A 136 9.965 8.196 -4.091 1.00 21.00 C ATOM 2000 C ARG A 136 11.305 7.560 -4.419 1.00 20.14 C ATOM 2001 O ARG A 136 12.002 7.069 -3.532 1.00 61.51 O ATOM 2002 CB ARG A 136 10.162 9.487 -3.295 1.00 73.21 C ATOM 2003 CG ARG A 136 10.837 10.603 -4.074 1.00 73.52 C ATOM 2004 CD ARG A 136 11.083 11.807 -3.188 1.00 22.11 C ATOM 2005 NE ARG A 136 11.714 12.913 -3.904 1.00 74.42 N ATOM 2006 CZ ARG A 136 12.415 13.884 -3.323 1.00 43.24 C ATOM 2007 NH1 ARG A 136 12.690 13.840 -2.027 1.00 44.14 N ATOM 2008 NH2 ARG A 136 12.864 14.891 -4.056 1.00 13.32 N ATOM 0 H ARG A 136 9.492 7.056 -2.412 1.00 43.43 H new ATOM 0 HA ARG A 136 9.467 8.432 -5.031 1.00 21.00 H new ATOM 0 HB2 ARG A 136 9.190 9.838 -2.948 1.00 73.21 H new ATOM 0 HB3 ARG A 136 10.757 9.267 -2.409 1.00 73.21 H new ATOM 0 HG2 ARG A 136 11.783 10.247 -4.482 1.00 73.52 H new ATOM 0 HG3 ARG A 136 10.213 10.890 -4.920 1.00 73.52 H new ATOM 0 HD2 ARG A 136 10.135 12.144 -2.769 1.00 22.11 H new ATOM 0 HD3 ARG A 136 11.716 11.514 -2.350 1.00 22.11 H new ATOM 0 HE ARG A 136 11.610 12.943 -4.918 1.00 74.42 H new ATOM 0 HH11 ARG A 136 12.363 13.056 -1.463 1.00 44.14 H new ATOM 0 HH12 ARG A 136 13.228 14.591 -1.594 1.00 44.14 H new ATOM 0 HH21 ARG A 136 12.672 14.918 -5.057 1.00 13.32 H new ATOM 0 HH22 ARG A 136 13.402 15.640 -3.619 1.00 13.32 H new ATOM 2022 N ALA A 137 11.628 7.554 -5.700 1.00 52.51 N ATOM 2023 CA ALA A 137 12.964 7.228 -6.138 1.00 42.23 C ATOM 2024 C ALA A 137 13.694 8.528 -6.406 1.00 23.34 C ATOM 2025 O ALA A 137 13.139 9.431 -7.046 1.00 54.30 O ATOM 2026 CB ALA A 137 12.953 6.359 -7.382 1.00 2.34 C ATOM 0 H ALA A 137 10.977 7.773 -6.454 1.00 52.51 H new ATOM 0 HA ALA A 137 13.470 6.655 -5.361 1.00 42.23 H new ATOM 0 HB1 ALA A 137 13.978 6.136 -7.679 1.00 2.34 H new ATOM 0 HB2 ALA A 137 12.426 5.429 -7.171 1.00 2.34 H new ATOM 0 HB3 ALA A 137 12.448 6.887 -8.190 1.00 2.34 H new ATOM 2032 N LEU A 138 14.907 8.636 -5.891 1.00 11.50 N ATOM 2033 CA LEU A 138 15.683 9.856 -6.033 1.00 2.00 C ATOM 2034 C LEU A 138 16.313 9.940 -7.405 1.00 75.05 C ATOM 2035 O LEU A 138 16.677 8.916 -8.006 1.00 70.42 O ATOM 2036 CB LEU A 138 16.763 9.973 -4.947 1.00 61.40 C ATOM 2037 CG LEU A 138 16.260 10.215 -3.516 1.00 42.42 C ATOM 2038 CD1 LEU A 138 17.435 10.452 -2.583 1.00 71.44 C ATOM 2039 CD2 LEU A 138 15.292 11.388 -3.462 1.00 31.20 C ATOM 0 H LEU A 138 15.376 7.894 -5.371 1.00 11.50 H new ATOM 0 HA LEU A 138 14.993 10.691 -5.912 1.00 2.00 H new ATOM 0 HB2 LEU A 138 17.355 9.058 -4.952 1.00 61.40 H new ATOM 0 HB3 LEU A 138 17.434 10.788 -5.217 1.00 61.40 H new ATOM 0 HG LEU A 138 15.722 9.325 -3.190 1.00 42.42 H new ATOM 0 HD11 LEU A 138 17.067 10.623 -1.571 1.00 71.44 H new ATOM 0 HD12 LEU A 138 18.087 9.579 -2.590 1.00 71.44 H new ATOM 0 HD13 LEU A 138 17.995 11.325 -2.918 1.00 71.44 H new ATOM 0 HD21 LEU A 138 14.954 11.534 -2.436 1.00 31.20 H new ATOM 0 HD22 LEU A 138 15.794 12.291 -3.810 1.00 31.20 H new ATOM 0 HD23 LEU A 138 14.434 11.181 -4.101 1.00 31.20 H new