USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 961 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 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 133 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.77) USER MOD Set 2.1: A 108 THR OG1 : rot -43:sc= 0.211 USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 62 SER OG : rot 180:sc= 0.0042 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 37 GLN : amide:sc= 0.429 K(o=3.2,f=-11!) USER MOD Set 4.2: A 93 LYS NZ :NH3+ 153:sc= 2.74 (180deg=-0.426) USER MOD Set 5.1: A 22 SER OG : rot 95:sc= 0.574 USER MOD Set 5.2: A 107 GLN : amide:sc= 0.545 X(o=1.1,f=0.84) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0296 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 11 THR OG1 : rot -28:sc= 1.29 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 29 SER OG : rot 73:sc= 0.0121 USER MOD Single : A 30 MET CE :methyl -170:sc= -1.37 (180deg=-1.73) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 46:sc= 0.733 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 50 GLN : amide:sc= -0.946 X(o=-0.95,f=-1.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.73) USER MOD Single : A 54 SER OG : rot 73:sc= 0.791 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0413 USER MOD Single : A 64 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.25) USER MOD Single : A 67 GLN : amide:sc= -0.486 K(o=-0.49,f=-2.1) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 71 MET CE :methyl 173:sc= -0.224 (180deg=-0.296) USER MOD Single : A 75 SER OG : rot 48:sc= 0.952 USER MOD Single : A 76 SER OG : rot -160:sc= 0.0522 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -160:sc= -0.118 USER MOD Single : A 94 THR OG1 : rot 9:sc= 0.431 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 64:sc= 0.299 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 85:sc= 1.27 USER MOD Single : A 103 ASN : amide:sc=-0.00583 X(o=-0.0058,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 121 THR OG1 : rot 15:sc= 0.81 USER MOD Single : A 122 GLN : amide:sc= -0.013 K(o=-0.013,f=-2.7!) USER MOD Single : A 125 SER OG : rot 20:sc= 0.376 USER MOD Single : A 126 MET CE :methyl 174:sc= -0.025 (180deg=-0.0805) USER MOD Single : A 129 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.79) USER MOD Single : A 136 SER OG : rot 180:sc= 0.0836 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.188 9.650 13.241 1.00 20.24 N ATOM 2 CA GLY A 1 22.425 8.279 12.789 1.00 22.43 C ATOM 3 C GLY A 1 21.474 7.966 11.657 1.00 15.20 C ATOM 4 O GLY A 1 21.282 8.787 10.766 1.00 42.53 O ATOM 0 H1 GLY A 1 23.097 10.104 13.464 1.00 20.24 H new ATOM 0 H2 GLY A 1 21.709 10.186 12.489 1.00 20.24 H new ATOM 0 H3 GLY A 1 21.589 9.637 14.091 1.00 20.24 H new ATOM 0 HA2 GLY A 1 23.457 8.165 12.457 1.00 22.43 H new ATOM 0 HA3 GLY A 1 22.275 7.580 13.612 1.00 22.43 H new ATOM 8 N SER A 2 20.862 6.783 11.677 1.00 21.41 N ATOM 9 CA SER A 2 19.892 6.302 10.696 1.00 70.53 C ATOM 10 C SER A 2 20.363 6.195 9.236 1.00 12.43 C ATOM 11 O SER A 2 19.675 5.544 8.453 1.00 52.45 O ATOM 12 CB SER A 2 18.616 7.149 10.827 1.00 4.44 C ATOM 13 OG SER A 2 18.124 7.093 12.157 1.00 23.32 O ATOM 0 H SER A 2 21.038 6.101 12.414 1.00 21.41 H new ATOM 0 HA SER A 2 19.711 5.256 10.945 1.00 70.53 H new ATOM 0 HB2 SER A 2 18.827 8.183 10.553 1.00 4.44 H new ATOM 0 HB3 SER A 2 17.857 6.785 10.135 1.00 4.44 H new ATOM 0 HG SER A 2 17.312 7.637 12.229 1.00 23.32 H new ATOM 19 N GLY A 3 21.530 6.707 8.842 1.00 71.33 N ATOM 20 CA GLY A 3 22.034 6.646 7.469 1.00 42.14 C ATOM 21 C GLY A 3 22.507 5.255 7.034 1.00 71.31 C ATOM 22 O GLY A 3 23.286 5.133 6.083 1.00 33.04 O ATOM 0 H GLY A 3 22.164 7.186 9.482 1.00 71.33 H new ATOM 0 HA2 GLY A 3 21.248 6.979 6.791 1.00 42.14 H new ATOM 0 HA3 GLY A 3 22.862 7.347 7.366 1.00 42.14 H new ATOM 26 N ASN A 4 22.146 4.221 7.794 1.00 11.21 N ATOM 27 CA ASN A 4 22.466 2.821 7.579 1.00 73.13 C ATOM 28 C ASN A 4 21.370 1.963 8.213 1.00 44.44 C ATOM 29 O ASN A 4 20.720 1.178 7.531 1.00 11.23 O ATOM 30 CB ASN A 4 23.836 2.492 8.199 1.00 71.23 C ATOM 31 CG ASN A 4 24.185 1.020 8.039 1.00 21.24 C ATOM 32 OD1 ASN A 4 23.950 0.437 6.985 1.00 64.31 O ATOM 33 ND2 ASN A 4 24.779 0.405 9.044 1.00 13.23 N ATOM 0 H ASN A 4 21.583 4.356 8.634 1.00 11.21 H new ATOM 0 HA ASN A 4 22.518 2.611 6.511 1.00 73.13 H new ATOM 0 HB2 ASN A 4 24.606 3.102 7.726 1.00 71.23 H new ATOM 0 HB3 ASN A 4 23.829 2.752 9.258 1.00 71.23 H new ATOM 0 HD21 ASN A 4 25.052 -0.574 8.953 1.00 13.23 H new ATOM 0 HD22 ASN A 4 24.965 0.908 9.912 1.00 13.23 H new ATOM 40 N SER A 5 21.105 2.173 9.504 1.00 22.51 N ATOM 41 CA SER A 5 20.112 1.429 10.280 1.00 70.31 C ATOM 42 C SER A 5 18.639 1.765 9.993 1.00 12.41 C ATOM 43 O SER A 5 17.775 1.146 10.614 1.00 12.04 O ATOM 44 CB SER A 5 20.389 1.643 11.777 1.00 72.31 C ATOM 45 OG SER A 5 21.778 1.556 12.068 1.00 41.11 O ATOM 0 H SER A 5 21.588 2.884 10.053 1.00 22.51 H new ATOM 0 HA SER A 5 20.231 0.390 9.972 1.00 70.31 H new ATOM 0 HB2 SER A 5 20.013 2.620 12.082 1.00 72.31 H new ATOM 0 HB3 SER A 5 19.847 0.897 12.359 1.00 72.31 H new ATOM 0 HG SER A 5 21.921 1.698 13.027 1.00 41.11 H new ATOM 51 N HIS A 6 18.316 2.730 9.121 1.00 23.31 N ATOM 52 CA HIS A 6 16.934 3.102 8.818 1.00 44.44 C ATOM 53 C HIS A 6 16.695 3.059 7.315 1.00 31.23 C ATOM 54 O HIS A 6 16.934 4.037 6.596 1.00 45.33 O ATOM 55 CB HIS A 6 16.605 4.481 9.403 1.00 72.41 C ATOM 56 CG HIS A 6 15.211 4.978 9.101 1.00 3.51 C ATOM 57 ND1 HIS A 6 14.047 4.560 9.701 1.00 24.41 N ATOM 58 CD2 HIS A 6 14.879 5.944 8.187 1.00 25.51 C ATOM 59 CE1 HIS A 6 13.033 5.254 9.160 1.00 74.34 C ATOM 60 NE2 HIS A 6 13.493 6.130 8.247 1.00 11.11 N ATOM 0 H HIS A 6 19.009 3.273 8.607 1.00 23.31 H new ATOM 0 HA HIS A 6 16.263 2.380 9.284 1.00 44.44 H new ATOM 0 HB2 HIS A 6 16.736 4.443 10.484 1.00 72.41 H new ATOM 0 HB3 HIS A 6 17.325 5.204 9.020 1.00 72.41 H new ATOM 0 HD2 HIS A 6 15.564 6.468 7.537 1.00 25.51 H new ATOM 0 HE1 HIS A 6 11.993 5.127 9.421 1.00 74.34 H new ATOM 0 HE2 HIS A 6 12.941 6.796 7.707 1.00 11.11 H new ATOM 68 N THR A 7 16.284 1.899 6.825 1.00 53.42 N ATOM 69 CA THR A 7 15.969 1.692 5.424 1.00 74.34 C ATOM 70 C THR A 7 14.476 2.038 5.276 1.00 13.42 C ATOM 71 O THR A 7 13.799 2.456 6.223 1.00 22.31 O ATOM 72 CB THR A 7 16.274 0.225 5.052 1.00 32.41 C ATOM 73 OG1 THR A 7 17.446 -0.231 5.686 1.00 60.43 O ATOM 74 CG2 THR A 7 16.485 0.001 3.550 1.00 32.14 C ATOM 0 H THR A 7 16.159 1.065 7.399 1.00 53.42 H new ATOM 0 HA THR A 7 16.561 2.314 4.753 1.00 74.34 H new ATOM 0 HB THR A 7 15.392 -0.324 5.382 1.00 32.41 H new ATOM 0 HG1 THR A 7 17.613 -1.163 5.433 1.00 60.43 H new ATOM 0 HG21 THR A 7 16.695 -1.053 3.365 1.00 32.14 H new ATOM 0 HG22 THR A 7 15.585 0.292 3.009 1.00 32.14 H new ATOM 0 HG23 THR A 7 17.326 0.604 3.207 1.00 32.14 H new ATOM 82 N THR A 8 13.928 1.913 4.080 1.00 64.13 N ATOM 83 CA THR A 8 12.525 2.164 3.775 1.00 70.50 C ATOM 84 C THR A 8 12.226 1.149 2.661 1.00 63.45 C ATOM 85 O THR A 8 13.121 0.921 1.836 1.00 5.03 O ATOM 86 CB THR A 8 12.303 3.649 3.410 1.00 2.35 C ATOM 87 OG1 THR A 8 13.281 4.503 3.985 1.00 23.33 O ATOM 88 CG2 THR A 8 10.959 4.155 3.926 1.00 33.11 C ATOM 0 H THR A 8 14.465 1.623 3.263 1.00 64.13 H new ATOM 0 HA THR A 8 11.835 2.022 4.607 1.00 70.50 H new ATOM 0 HB THR A 8 12.357 3.680 2.322 1.00 2.35 H new ATOM 0 HG1 THR A 8 13.099 5.430 3.725 1.00 23.33 H new ATOM 0 HG21 THR A 8 10.835 5.203 3.652 1.00 33.11 H new ATOM 0 HG22 THR A 8 10.155 3.567 3.484 1.00 33.11 H new ATOM 0 HG23 THR A 8 10.926 4.057 5.011 1.00 33.11 H new ATOM 96 N PRO A 9 11.042 0.517 2.575 1.00 1.14 N ATOM 97 CA PRO A 9 10.784 -0.483 1.541 1.00 15.22 C ATOM 98 C PRO A 9 11.086 0.018 0.134 1.00 61.03 C ATOM 99 O PRO A 9 11.806 -0.627 -0.613 1.00 21.20 O ATOM 100 CB PRO A 9 9.342 -0.953 1.745 1.00 21.24 C ATOM 101 CG PRO A 9 8.707 0.094 2.653 1.00 23.14 C ATOM 102 CD PRO A 9 9.884 0.665 3.442 1.00 71.53 C ATOM 0 HA PRO A 9 11.464 -1.329 1.640 1.00 15.22 H new ATOM 0 HB2 PRO A 9 8.812 -1.024 0.795 1.00 21.24 H new ATOM 0 HB3 PRO A 9 9.311 -1.942 2.202 1.00 21.24 H new ATOM 0 HG2 PRO A 9 8.201 0.868 2.076 1.00 23.14 H new ATOM 0 HG3 PRO A 9 7.962 -0.350 3.313 1.00 23.14 H new ATOM 0 HD2 PRO A 9 9.715 1.711 3.696 1.00 71.53 H new ATOM 0 HD3 PRO A 9 10.025 0.128 4.380 1.00 71.53 H new ATOM 110 N TRP A 10 10.665 1.231 -0.188 1.00 13.20 N ATOM 111 CA TRP A 10 10.847 1.870 -1.482 1.00 31.22 C ATOM 112 C TRP A 10 12.318 2.053 -1.870 1.00 15.21 C ATOM 113 O TRP A 10 12.625 2.320 -3.034 1.00 14.10 O ATOM 114 CB TRP A 10 10.094 3.196 -1.410 1.00 15.54 C ATOM 115 CG TRP A 10 8.708 3.039 -0.858 1.00 74.05 C ATOM 116 CD1 TRP A 10 8.328 3.313 0.410 1.00 34.41 C ATOM 117 CD2 TRP A 10 7.554 2.406 -1.486 1.00 65.43 C ATOM 118 NE1 TRP A 10 7.012 2.942 0.592 1.00 25.32 N ATOM 119 CE2 TRP A 10 6.489 2.357 -0.542 1.00 12.14 C ATOM 120 CE3 TRP A 10 7.322 1.815 -2.746 1.00 4.44 C ATOM 121 CZ2 TRP A 10 5.253 1.769 -0.849 1.00 22.30 C ATOM 122 CZ3 TRP A 10 6.074 1.262 -3.078 1.00 30.33 C ATOM 123 CH2 TRP A 10 5.040 1.232 -2.128 1.00 61.01 C ATOM 0 H TRP A 10 10.165 1.823 0.475 1.00 13.20 H new ATOM 0 HA TRP A 10 10.451 1.234 -2.274 1.00 31.22 H new ATOM 0 HB2 TRP A 10 10.653 3.894 -0.787 1.00 15.54 H new ATOM 0 HB3 TRP A 10 10.037 3.633 -2.407 1.00 15.54 H new ATOM 0 HD1 TRP A 10 8.959 3.756 1.166 1.00 34.41 H new ATOM 0 HE1 TRP A 10 6.491 3.083 1.457 1.00 25.32 H new ATOM 0 HE3 TRP A 10 8.122 1.787 -3.471 1.00 4.44 H new ATOM 0 HZ2 TRP A 10 4.470 1.730 -0.106 1.00 22.30 H new ATOM 0 HZ3 TRP A 10 5.909 0.859 -4.066 1.00 30.33 H new ATOM 0 HH2 TRP A 10 4.084 0.797 -2.381 1.00 61.01 H new ATOM 134 N THR A 11 13.223 1.920 -0.899 1.00 63.22 N ATOM 135 CA THR A 11 14.659 2.069 -1.105 1.00 23.12 C ATOM 136 C THR A 11 15.387 0.729 -1.251 1.00 51.12 C ATOM 137 O THR A 11 16.512 0.745 -1.748 1.00 15.00 O ATOM 138 CB THR A 11 15.293 2.929 0.006 1.00 52.53 C ATOM 139 OG1 THR A 11 15.290 2.271 1.254 1.00 41.30 O ATOM 140 CG2 THR A 11 14.599 4.282 0.166 1.00 11.14 C ATOM 0 H THR A 11 12.972 1.703 0.066 1.00 63.22 H new ATOM 0 HA THR A 11 14.781 2.588 -2.056 1.00 23.12 H new ATOM 0 HB THR A 11 16.322 3.094 -0.313 1.00 52.53 H new ATOM 0 HG1 THR A 11 14.542 1.639 1.289 1.00 41.30 H new ATOM 0 HG21 THR A 11 15.084 4.848 0.961 1.00 11.14 H new ATOM 0 HG22 THR A 11 14.667 4.838 -0.769 1.00 11.14 H new ATOM 0 HG23 THR A 11 13.551 4.125 0.420 1.00 11.14 H new ATOM 148 N ASN A 12 14.830 -0.412 -0.824 1.00 32.31 N ATOM 149 CA ASN A 12 15.487 -1.724 -0.947 1.00 65.22 C ATOM 150 C ASN A 12 14.490 -2.737 -1.490 1.00 2.21 C ATOM 151 O ASN A 12 13.414 -2.877 -0.915 1.00 73.44 O ATOM 152 CB ASN A 12 16.027 -2.282 0.378 1.00 5.32 C ATOM 153 CG ASN A 12 17.525 -2.095 0.544 1.00 14.32 C ATOM 154 OD1 ASN A 12 18.268 -3.073 0.559 1.00 54.01 O ATOM 155 ND2 ASN A 12 17.996 -0.869 0.674 1.00 73.33 N ATOM 0 H ASN A 12 13.911 -0.454 -0.383 1.00 32.31 H new ATOM 0 HA ASN A 12 16.335 -1.568 -1.614 1.00 65.22 H new ATOM 0 HB2 ASN A 12 15.513 -1.794 1.206 1.00 5.32 H new ATOM 0 HB3 ASN A 12 15.792 -3.345 0.439 1.00 5.32 H new ATOM 0 HD21 ASN A 12 18.998 -0.717 0.790 1.00 73.33 H new ATOM 0 HD22 ASN A 12 17.358 -0.073 0.658 1.00 73.33 H new ATOM 162 N PRO A 13 14.834 -3.504 -2.532 1.00 3.33 N ATOM 163 CA PRO A 13 13.909 -4.472 -3.099 1.00 32.11 C ATOM 164 C PRO A 13 13.572 -5.564 -2.087 1.00 23.13 C ATOM 165 O PRO A 13 12.395 -5.816 -1.856 1.00 3.24 O ATOM 166 CB PRO A 13 14.573 -4.973 -4.375 1.00 33.50 C ATOM 167 CG PRO A 13 16.058 -4.722 -4.130 1.00 61.40 C ATOM 168 CD PRO A 13 16.079 -3.466 -3.279 1.00 1.01 C ATOM 0 HA PRO A 13 12.939 -4.041 -3.344 1.00 32.11 H new ATOM 0 HB2 PRO A 13 14.368 -6.030 -4.545 1.00 33.50 H new ATOM 0 HB3 PRO A 13 14.215 -4.434 -5.252 1.00 33.50 H new ATOM 0 HG2 PRO A 13 16.526 -5.561 -3.615 1.00 61.40 H new ATOM 0 HG3 PRO A 13 16.599 -4.580 -5.066 1.00 61.40 H new ATOM 0 HD2 PRO A 13 16.941 -3.455 -2.612 1.00 1.01 H new ATOM 0 HD3 PRO A 13 16.143 -2.570 -3.897 1.00 1.01 H new ATOM 176 N GLY A 14 14.573 -6.140 -1.410 1.00 35.23 N ATOM 177 CA GLY A 14 14.342 -7.182 -0.416 1.00 32.13 C ATOM 178 C GLY A 14 13.465 -6.703 0.747 1.00 60.20 C ATOM 179 O GLY A 14 12.865 -7.524 1.440 1.00 10.54 O ATOM 0 H GLY A 14 15.555 -5.896 -1.538 1.00 35.23 H new ATOM 0 HA2 GLY A 14 13.867 -8.038 -0.896 1.00 32.13 H new ATOM 0 HA3 GLY A 14 15.300 -7.526 -0.026 1.00 32.13 H new ATOM 183 N LEU A 15 13.410 -5.393 1.023 1.00 15.43 N ATOM 184 CA LEU A 15 12.584 -4.855 2.101 1.00 10.33 C ATOM 185 C LEU A 15 11.166 -4.620 1.579 1.00 45.43 C ATOM 186 O LEU A 15 10.208 -4.907 2.302 1.00 44.33 O ATOM 187 CB LEU A 15 13.231 -3.600 2.706 1.00 21.41 C ATOM 188 CG LEU A 15 12.422 -2.995 3.874 1.00 51.02 C ATOM 189 CD1 LEU A 15 12.241 -3.927 5.078 1.00 60.22 C ATOM 190 CD2 LEU A 15 13.134 -1.736 4.370 1.00 60.05 C ATOM 0 H LEU A 15 13.934 -4.686 0.508 1.00 15.43 H new ATOM 0 HA LEU A 15 12.513 -5.573 2.918 1.00 10.33 H new ATOM 0 HB2 LEU A 15 14.232 -3.850 3.058 1.00 21.41 H new ATOM 0 HB3 LEU A 15 13.346 -2.848 1.926 1.00 21.41 H new ATOM 0 HG LEU A 15 11.429 -2.794 3.472 1.00 51.02 H new ATOM 0 HD11 LEU A 15 11.661 -3.418 5.848 1.00 60.22 H new ATOM 0 HD12 LEU A 15 11.715 -4.829 4.764 1.00 60.22 H new ATOM 0 HD13 LEU A 15 13.218 -4.198 5.479 1.00 60.22 H new ATOM 0 HD21 LEU A 15 12.571 -1.301 5.195 1.00 60.05 H new ATOM 0 HD22 LEU A 15 14.136 -1.995 4.712 1.00 60.05 H new ATOM 0 HD23 LEU A 15 13.204 -1.013 3.557 1.00 60.05 H new ATOM 202 N ALA A 16 11.027 -4.110 0.347 1.00 22.12 N ATOM 203 CA ALA A 16 9.737 -3.873 -0.291 1.00 34.02 C ATOM 204 C ALA A 16 9.023 -5.202 -0.455 1.00 12.21 C ATOM 205 O ALA A 16 7.832 -5.295 -0.184 1.00 71.31 O ATOM 206 CB ALA A 16 9.909 -3.239 -1.667 1.00 74.31 C ATOM 0 H ALA A 16 11.822 -3.849 -0.237 1.00 22.12 H new ATOM 0 HA ALA A 16 9.161 -3.192 0.336 1.00 34.02 H new ATOM 0 HB1 ALA A 16 8.930 -3.075 -2.117 1.00 74.31 H new ATOM 0 HB2 ALA A 16 10.427 -2.285 -1.566 1.00 74.31 H new ATOM 0 HB3 ALA A 16 10.494 -3.903 -2.303 1.00 74.31 H new ATOM 212 N GLU A 17 9.766 -6.226 -0.861 1.00 45.02 N ATOM 213 CA GLU A 17 9.290 -7.575 -1.061 1.00 11.11 C ATOM 214 C GLU A 17 8.595 -8.046 0.214 1.00 71.35 C ATOM 215 O GLU A 17 7.443 -8.465 0.156 1.00 42.44 O ATOM 216 CB GLU A 17 10.493 -8.441 -1.447 1.00 72.01 C ATOM 217 CG GLU A 17 10.164 -9.933 -1.400 1.00 34.14 C ATOM 218 CD GLU A 17 11.242 -10.800 -2.036 1.00 71.24 C ATOM 219 OE1 GLU A 17 11.812 -10.420 -3.083 1.00 43.14 O ATOM 220 OE2 GLU A 17 11.391 -11.955 -1.577 1.00 71.53 O ATOM 0 H GLU A 17 10.760 -6.126 -1.067 1.00 45.02 H new ATOM 0 HA GLU A 17 8.556 -7.642 -1.864 1.00 11.11 H new ATOM 0 HB2 GLU A 17 10.824 -8.174 -2.451 1.00 72.01 H new ATOM 0 HB3 GLU A 17 11.322 -8.231 -0.771 1.00 72.01 H new ATOM 0 HG2 GLU A 17 10.027 -10.237 -0.362 1.00 34.14 H new ATOM 0 HG3 GLU A 17 9.217 -10.107 -1.911 1.00 34.14 H new ATOM 227 N ASN A 18 9.260 -7.946 1.367 1.00 62.24 N ATOM 228 CA ASN A 18 8.687 -8.364 2.644 1.00 71.31 C ATOM 229 C ASN A 18 7.535 -7.444 3.066 1.00 72.13 C ATOM 230 O ASN A 18 6.579 -7.898 3.690 1.00 71.33 O ATOM 231 CB ASN A 18 9.791 -8.460 3.701 1.00 2.21 C ATOM 232 CG ASN A 18 10.556 -9.779 3.694 1.00 74.51 C ATOM 233 OD1 ASN A 18 10.479 -10.582 2.765 1.00 53.11 O ATOM 234 ND2 ASN A 18 11.320 -10.013 4.752 1.00 71.21 N ATOM 0 H ASN A 18 10.207 -7.574 1.440 1.00 62.24 H new ATOM 0 HA ASN A 18 8.251 -9.357 2.534 1.00 71.31 H new ATOM 0 HB2 ASN A 18 10.497 -7.644 3.547 1.00 2.21 H new ATOM 0 HB3 ASN A 18 9.348 -8.316 4.686 1.00 2.21 H new ATOM 0 HD21 ASN A 18 11.862 -10.875 4.809 1.00 71.21 H new ATOM 0 HD22 ASN A 18 11.366 -9.331 5.509 1.00 71.21 H new ATOM 241 N PHE A 19 7.603 -6.142 2.760 1.00 2.22 N ATOM 242 CA PHE A 19 6.542 -5.188 3.096 1.00 32.44 C ATOM 243 C PHE A 19 5.259 -5.630 2.379 1.00 23.24 C ATOM 244 O PHE A 19 4.197 -5.725 3.000 1.00 50.31 O ATOM 245 CB PHE A 19 6.997 -3.753 2.752 1.00 33.15 C ATOM 246 CG PHE A 19 5.931 -2.658 2.750 1.00 61.34 C ATOM 247 CD1 PHE A 19 5.569 -2.051 1.532 1.00 30.31 C ATOM 248 CD2 PHE A 19 5.319 -2.205 3.937 1.00 72.12 C ATOM 249 CE1 PHE A 19 4.622 -1.014 1.499 1.00 75.24 C ATOM 250 CE2 PHE A 19 4.356 -1.180 3.905 1.00 72.13 C ATOM 251 CZ PHE A 19 4.017 -0.570 2.686 1.00 12.01 C ATOM 0 H PHE A 19 8.395 -5.722 2.273 1.00 2.22 H new ATOM 0 HA PHE A 19 6.330 -5.177 4.165 1.00 32.44 H new ATOM 0 HB2 PHE A 19 7.773 -3.466 3.462 1.00 33.15 H new ATOM 0 HB3 PHE A 19 7.460 -3.774 1.765 1.00 33.15 H new ATOM 0 HD1 PHE A 19 6.025 -2.387 0.612 1.00 30.31 H new ATOM 0 HD2 PHE A 19 5.593 -2.650 4.882 1.00 72.12 H new ATOM 0 HE1 PHE A 19 4.358 -0.556 0.557 1.00 75.24 H new ATOM 0 HE2 PHE A 19 3.877 -0.862 4.819 1.00 72.13 H new ATOM 0 HZ PHE A 19 3.297 0.234 2.662 1.00 12.01 H new ATOM 261 N LEU A 20 5.375 -5.942 1.089 1.00 61.22 N ATOM 262 CA LEU A 20 4.296 -6.401 0.231 1.00 34.13 C ATOM 263 C LEU A 20 3.833 -7.787 0.676 1.00 63.31 C ATOM 264 O LEU A 20 2.644 -7.965 0.910 1.00 4.50 O ATOM 265 CB LEU A 20 4.779 -6.442 -1.233 1.00 42.45 C ATOM 266 CG LEU A 20 4.532 -5.157 -2.051 1.00 1.32 C ATOM 267 CD1 LEU A 20 4.870 -3.840 -1.344 1.00 60.40 C ATOM 268 CD2 LEU A 20 5.368 -5.206 -3.334 1.00 24.14 C ATOM 0 H LEU A 20 6.266 -5.877 0.596 1.00 61.22 H new ATOM 0 HA LEU A 20 3.456 -5.711 0.306 1.00 34.13 H new ATOM 0 HB2 LEU A 20 5.848 -6.655 -1.239 1.00 42.45 H new ATOM 0 HB3 LEU A 20 4.285 -7.273 -1.737 1.00 42.45 H new ATOM 0 HG LEU A 20 3.457 -5.151 -2.230 1.00 1.32 H new ATOM 0 HD11 LEU A 20 4.658 -3.004 -2.011 1.00 60.40 H new ATOM 0 HD12 LEU A 20 4.266 -3.746 -0.441 1.00 60.40 H new ATOM 0 HD13 LEU A 20 5.927 -3.831 -1.076 1.00 60.40 H new ATOM 0 HD21 LEU A 20 5.196 -4.300 -3.915 1.00 24.14 H new ATOM 0 HD22 LEU A 20 6.425 -5.278 -3.077 1.00 24.14 H new ATOM 0 HD23 LEU A 20 5.078 -6.076 -3.924 1.00 24.14 H new ATOM 280 N ASN A 21 4.745 -8.749 0.844 1.00 3.32 N ATOM 281 CA ASN A 21 4.418 -10.121 1.235 1.00 4.23 C ATOM 282 C ASN A 21 3.612 -10.193 2.521 1.00 4.31 C ATOM 283 O ASN A 21 2.526 -10.765 2.498 1.00 24.12 O ATOM 284 CB ASN A 21 5.678 -10.993 1.378 1.00 4.32 C ATOM 285 CG ASN A 21 6.030 -11.680 0.071 1.00 22.45 C ATOM 286 OD1 ASN A 21 5.690 -12.844 -0.140 1.00 14.42 O ATOM 287 ND2 ASN A 21 6.682 -10.984 -0.838 1.00 65.53 N ATOM 0 H ASN A 21 5.744 -8.593 0.710 1.00 3.32 H new ATOM 0 HA ASN A 21 3.801 -10.511 0.425 1.00 4.23 H new ATOM 0 HB2 ASN A 21 6.515 -10.375 1.702 1.00 4.32 H new ATOM 0 HB3 ASN A 21 5.517 -11.743 2.153 1.00 4.32 H new ATOM 0 HD21 ASN A 21 6.914 -11.409 -1.736 1.00 65.53 H new ATOM 0 HD22 ASN A 21 6.955 -10.021 -0.644 1.00 65.53 H new ATOM 294 N SER A 22 4.065 -9.570 3.612 1.00 42.44 N ATOM 295 CA SER A 22 3.323 -9.631 4.866 1.00 2.21 C ATOM 296 C SER A 22 1.954 -8.940 4.748 1.00 0.21 C ATOM 297 O SER A 22 0.992 -9.323 5.423 1.00 72.34 O ATOM 298 CB SER A 22 4.185 -9.053 5.988 1.00 61.14 C ATOM 299 OG SER A 22 3.682 -9.481 7.231 1.00 75.20 O ATOM 0 H SER A 22 4.928 -9.027 3.650 1.00 42.44 H new ATOM 0 HA SER A 22 3.104 -10.671 5.108 1.00 2.21 H new ATOM 0 HB2 SER A 22 5.219 -9.377 5.871 1.00 61.14 H new ATOM 0 HB3 SER A 22 4.184 -7.964 5.938 1.00 61.14 H new ATOM 0 HG SER A 22 4.162 -10.286 7.518 1.00 75.20 H new ATOM 305 N PHE A 23 1.845 -7.913 3.899 1.00 43.52 N ATOM 306 CA PHE A 23 0.593 -7.204 3.692 1.00 1.15 C ATOM 307 C PHE A 23 -0.374 -8.121 2.946 1.00 20.42 C ATOM 308 O PHE A 23 -1.491 -8.332 3.416 1.00 44.22 O ATOM 309 CB PHE A 23 0.852 -5.883 2.961 1.00 75.13 C ATOM 310 CG PHE A 23 -0.408 -5.173 2.511 1.00 44.14 C ATOM 311 CD1 PHE A 23 -0.725 -5.105 1.140 1.00 33.22 C ATOM 312 CD2 PHE A 23 -1.264 -4.585 3.460 1.00 1.24 C ATOM 313 CE1 PHE A 23 -1.888 -4.438 0.721 1.00 52.15 C ATOM 314 CE2 PHE A 23 -2.429 -3.921 3.039 1.00 22.01 C ATOM 315 CZ PHE A 23 -2.738 -3.843 1.669 1.00 21.25 C ATOM 0 H PHE A 23 2.622 -7.557 3.342 1.00 43.52 H new ATOM 0 HA PHE A 23 0.133 -6.943 4.645 1.00 1.15 H new ATOM 0 HB2 PHE A 23 1.416 -5.220 3.618 1.00 75.13 H new ATOM 0 HB3 PHE A 23 1.478 -6.078 2.090 1.00 75.13 H new ATOM 0 HD1 PHE A 23 -0.074 -5.565 0.412 1.00 33.22 H new ATOM 0 HD2 PHE A 23 -1.026 -4.644 4.512 1.00 1.24 H new ATOM 0 HE1 PHE A 23 -2.129 -4.382 -0.330 1.00 52.15 H new ATOM 0 HE2 PHE A 23 -3.087 -3.471 3.767 1.00 22.01 H new ATOM 0 HZ PHE A 23 -3.629 -3.326 1.345 1.00 21.25 H new ATOM 325 N LEU A 24 0.047 -8.678 1.805 1.00 32.14 N ATOM 326 CA LEU A 24 -0.756 -9.581 0.984 1.00 53.14 C ATOM 327 C LEU A 24 -1.194 -10.791 1.808 1.00 44.32 C ATOM 328 O LEU A 24 -2.364 -11.170 1.749 1.00 70.25 O ATOM 329 CB LEU A 24 0.032 -10.055 -0.254 1.00 11.43 C ATOM 330 CG LEU A 24 0.386 -8.979 -1.300 1.00 3.23 C ATOM 331 CD1 LEU A 24 1.271 -9.587 -2.392 1.00 1.52 C ATOM 332 CD2 LEU A 24 -0.847 -8.349 -1.950 1.00 53.21 C ATOM 0 H LEU A 24 0.977 -8.508 1.421 1.00 32.14 H new ATOM 0 HA LEU A 24 -1.636 -9.034 0.645 1.00 53.14 H new ATOM 0 HB2 LEU A 24 0.959 -10.516 0.088 1.00 11.43 H new ATOM 0 HB3 LEU A 24 -0.548 -10.834 -0.749 1.00 11.43 H new ATOM 0 HG LEU A 24 0.916 -8.189 -0.768 1.00 3.23 H new ATOM 0 HD11 LEU A 24 1.518 -8.822 -3.128 1.00 1.52 H new ATOM 0 HD12 LEU A 24 2.188 -9.970 -1.945 1.00 1.52 H new ATOM 0 HD13 LEU A 24 0.737 -10.402 -2.881 1.00 1.52 H new ATOM 0 HD21 LEU A 24 -0.533 -7.600 -2.677 1.00 53.21 H new ATOM 0 HD22 LEU A 24 -1.428 -9.122 -2.454 1.00 53.21 H new ATOM 0 HD23 LEU A 24 -1.461 -7.876 -1.183 1.00 53.21 H new ATOM 344 N GLN A 25 -0.277 -11.355 2.603 1.00 55.14 N ATOM 345 CA GLN A 25 -0.511 -12.509 3.461 1.00 21.21 C ATOM 346 C GLN A 25 -1.705 -12.301 4.384 1.00 70.01 C ATOM 347 O GLN A 25 -2.511 -13.218 4.550 1.00 70.10 O ATOM 348 CB GLN A 25 0.718 -12.783 4.344 1.00 25.42 C ATOM 349 CG GLN A 25 1.795 -13.621 3.654 1.00 52.33 C ATOM 350 CD GLN A 25 3.147 -13.542 4.365 1.00 10.42 C ATOM 351 OE1 GLN A 25 3.246 -13.355 5.580 1.00 0.23 O ATOM 352 NE2 GLN A 25 4.223 -13.702 3.621 1.00 54.12 N ATOM 0 H GLN A 25 0.679 -11.004 2.664 1.00 55.14 H new ATOM 0 HA GLN A 25 -0.708 -13.351 2.798 1.00 21.21 H new ATOM 0 HB2 GLN A 25 1.152 -11.832 4.653 1.00 25.42 H new ATOM 0 HB3 GLN A 25 0.396 -13.296 5.251 1.00 25.42 H new ATOM 0 HG2 GLN A 25 1.470 -14.661 3.613 1.00 52.33 H new ATOM 0 HG3 GLN A 25 1.910 -13.282 2.624 1.00 52.33 H new ATOM 0 HE21 GLN A 25 4.130 -13.856 2.617 1.00 54.12 H new ATOM 0 HE22 GLN A 25 5.148 -13.672 4.049 1.00 54.12 H new ATOM 361 N GLY A 26 -1.793 -11.117 4.993 1.00 21.33 N ATOM 362 CA GLY A 26 -2.864 -10.783 5.907 1.00 30.15 C ATOM 363 C GLY A 26 -4.119 -10.318 5.192 1.00 32.45 C ATOM 364 O GLY A 26 -5.219 -10.641 5.632 1.00 13.52 O ATOM 0 H GLY A 26 -1.116 -10.366 4.859 1.00 21.33 H new ATOM 0 HA2 GLY A 26 -3.100 -11.654 6.518 1.00 30.15 H new ATOM 0 HA3 GLY A 26 -2.526 -10.000 6.586 1.00 30.15 H new ATOM 368 N LEU A 27 -3.990 -9.571 4.093 1.00 21.55 N ATOM 369 CA LEU A 27 -5.137 -9.072 3.348 1.00 75.44 C ATOM 370 C LEU A 27 -6.013 -10.235 2.867 1.00 33.21 C ATOM 371 O LEU A 27 -7.232 -10.129 2.965 1.00 63.44 O ATOM 372 CB LEU A 27 -4.688 -8.147 2.210 1.00 25.14 C ATOM 373 CG LEU A 27 -5.596 -6.924 2.011 1.00 33.05 C ATOM 374 CD1 LEU A 27 -5.243 -6.230 0.696 1.00 32.31 C ATOM 375 CD2 LEU A 27 -7.091 -7.238 2.004 1.00 55.11 C ATOM 0 H LEU A 27 -3.089 -9.299 3.700 1.00 21.55 H new ATOM 0 HA LEU A 27 -5.756 -8.466 4.010 1.00 75.44 H new ATOM 0 HB2 LEU A 27 -3.673 -7.805 2.411 1.00 25.14 H new ATOM 0 HB3 LEU A 27 -4.654 -8.718 1.282 1.00 25.14 H new ATOM 0 HG LEU A 27 -5.413 -6.282 2.873 1.00 33.05 H new ATOM 0 HD11 LEU A 27 -5.889 -5.363 0.557 1.00 32.31 H new ATOM 0 HD12 LEU A 27 -4.202 -5.907 0.723 1.00 32.31 H new ATOM 0 HD13 LEU A 27 -5.386 -6.925 -0.132 1.00 32.31 H new ATOM 0 HD21 LEU A 27 -7.656 -6.317 1.858 1.00 55.11 H new ATOM 0 HD22 LEU A 27 -7.313 -7.932 1.193 1.00 55.11 H new ATOM 0 HD23 LEU A 27 -7.372 -7.689 2.955 1.00 55.11 H new ATOM 387 N SER A 28 -5.436 -11.351 2.407 1.00 34.21 N ATOM 388 CA SER A 28 -6.234 -12.497 1.956 1.00 33.42 C ATOM 389 C SER A 28 -7.092 -13.078 3.096 1.00 64.25 C ATOM 390 O SER A 28 -8.118 -13.714 2.840 1.00 5.43 O ATOM 391 CB SER A 28 -5.321 -13.581 1.362 1.00 15.43 C ATOM 392 OG SER A 28 -4.135 -13.750 2.114 1.00 3.11 O ATOM 0 H SER A 28 -4.427 -11.485 2.337 1.00 34.21 H new ATOM 0 HA SER A 28 -6.915 -12.144 1.182 1.00 33.42 H new ATOM 0 HB2 SER A 28 -5.861 -14.527 1.321 1.00 15.43 H new ATOM 0 HB3 SER A 28 -5.064 -13.316 0.336 1.00 15.43 H new ATOM 0 HG SER A 28 -3.584 -14.449 1.703 1.00 3.11 H new ATOM 398 N SER A 29 -6.679 -12.861 4.347 1.00 24.30 N ATOM 399 CA SER A 29 -7.341 -13.315 5.560 1.00 64.33 C ATOM 400 C SER A 29 -8.360 -12.294 6.091 1.00 22.41 C ATOM 401 O SER A 29 -9.076 -12.585 7.051 1.00 33.35 O ATOM 402 CB SER A 29 -6.267 -13.499 6.650 1.00 12.43 C ATOM 403 OG SER A 29 -5.056 -14.073 6.180 1.00 14.32 O ATOM 0 H SER A 29 -5.828 -12.335 4.545 1.00 24.30 H new ATOM 0 HA SER A 29 -7.868 -14.239 5.324 1.00 64.33 H new ATOM 0 HB2 SER A 29 -6.048 -12.529 7.096 1.00 12.43 H new ATOM 0 HB3 SER A 29 -6.672 -14.130 7.441 1.00 12.43 H new ATOM 0 HG SER A 29 -4.564 -13.411 5.651 1.00 14.32 H new ATOM 409 N MET A 30 -8.425 -11.101 5.501 1.00 33.14 N ATOM 410 CA MET A 30 -9.289 -10.003 5.907 1.00 43.31 C ATOM 411 C MET A 30 -10.540 -9.856 5.033 1.00 10.44 C ATOM 412 O MET A 30 -10.588 -10.378 3.921 1.00 74.33 O ATOM 413 CB MET A 30 -8.410 -8.743 5.832 1.00 30.15 C ATOM 414 CG MET A 30 -7.369 -8.718 6.956 1.00 62.43 C ATOM 415 SD MET A 30 -8.047 -8.237 8.558 1.00 31.31 S ATOM 416 CE MET A 30 -8.227 -6.469 8.265 1.00 14.34 C ATOM 0 H MET A 30 -7.850 -10.867 4.692 1.00 33.14 H new ATOM 0 HA MET A 30 -9.679 -10.182 6.909 1.00 43.31 H new ATOM 0 HB2 MET A 30 -7.906 -8.707 4.866 1.00 30.15 H new ATOM 0 HB3 MET A 30 -9.039 -7.855 5.897 1.00 30.15 H new ATOM 0 HG2 MET A 30 -6.918 -9.706 7.044 1.00 62.43 H new ATOM 0 HG3 MET A 30 -6.571 -8.026 6.686 1.00 62.43 H new ATOM 0 HE1 MET A 30 -8.467 -5.967 9.203 1.00 14.34 H new ATOM 0 HE2 MET A 30 -7.294 -6.069 7.868 1.00 14.34 H new ATOM 0 HE3 MET A 30 -9.029 -6.299 7.547 1.00 14.34 H new ATOM 426 N PRO A 31 -11.553 -9.094 5.489 1.00 35.24 N ATOM 427 CA PRO A 31 -12.799 -8.855 4.758 1.00 44.52 C ATOM 428 C PRO A 31 -12.670 -7.682 3.769 1.00 44.43 C ATOM 429 O PRO A 31 -13.661 -7.100 3.332 1.00 55.02 O ATOM 430 CB PRO A 31 -13.800 -8.523 5.861 1.00 62.31 C ATOM 431 CG PRO A 31 -12.967 -7.719 6.849 1.00 43.25 C ATOM 432 CD PRO A 31 -11.617 -8.429 6.788 1.00 32.02 C ATOM 0 HA PRO A 31 -13.091 -9.711 4.150 1.00 44.52 H new ATOM 0 HB2 PRO A 31 -14.643 -7.946 5.481 1.00 62.31 H new ATOM 0 HB3 PRO A 31 -14.210 -9.423 6.318 1.00 62.31 H new ATOM 0 HG2 PRO A 31 -12.889 -6.672 6.558 1.00 43.25 H new ATOM 0 HG3 PRO A 31 -13.393 -7.740 7.852 1.00 43.25 H new ATOM 0 HD2 PRO A 31 -10.799 -7.717 6.899 1.00 32.02 H new ATOM 0 HD3 PRO A 31 -11.523 -9.152 7.598 1.00 32.02 H new ATOM 440 N GLY A 32 -11.446 -7.239 3.496 1.00 53.52 N ATOM 441 CA GLY A 32 -11.162 -6.133 2.598 1.00 60.24 C ATOM 442 C GLY A 32 -11.218 -6.577 1.143 1.00 5.23 C ATOM 443 O GLY A 32 -12.178 -6.305 0.428 1.00 41.03 O ATOM 0 H GLY A 32 -10.607 -7.651 3.905 1.00 53.52 H new ATOM 0 HA2 GLY A 32 -11.882 -5.332 2.764 1.00 60.24 H new ATOM 0 HA3 GLY A 32 -10.175 -5.726 2.819 1.00 60.24 H new ATOM 447 N PHE A 33 -10.151 -7.225 0.691 1.00 51.34 N ATOM 448 CA PHE A 33 -10.004 -7.714 -0.670 1.00 64.11 C ATOM 449 C PHE A 33 -10.004 -9.232 -0.580 1.00 0.22 C ATOM 450 O PHE A 33 -9.277 -9.799 0.233 1.00 72.45 O ATOM 451 CB PHE A 33 -8.728 -7.127 -1.303 1.00 12.42 C ATOM 452 CG PHE A 33 -8.764 -5.611 -1.477 1.00 63.32 C ATOM 453 CD1 PHE A 33 -8.875 -4.759 -0.358 1.00 20.03 C ATOM 454 CD2 PHE A 33 -8.708 -5.035 -2.762 1.00 30.44 C ATOM 455 CE1 PHE A 33 -9.088 -3.388 -0.525 1.00 45.14 C ATOM 456 CE2 PHE A 33 -8.830 -3.641 -2.916 1.00 64.42 C ATOM 457 CZ PHE A 33 -9.053 -2.819 -1.804 1.00 51.22 C ATOM 0 H PHE A 33 -9.343 -7.429 1.279 1.00 51.34 H new ATOM 0 HA PHE A 33 -10.817 -7.400 -1.324 1.00 64.11 H new ATOM 0 HB2 PHE A 33 -7.872 -7.391 -0.682 1.00 12.42 H new ATOM 0 HB3 PHE A 33 -8.571 -7.591 -2.277 1.00 12.42 H new ATOM 0 HD1 PHE A 33 -8.795 -5.170 0.637 1.00 20.03 H new ATOM 0 HD2 PHE A 33 -8.571 -5.664 -3.629 1.00 30.44 H new ATOM 0 HE1 PHE A 33 -9.280 -2.765 0.336 1.00 45.14 H new ATOM 0 HE2 PHE A 33 -8.751 -3.202 -3.900 1.00 64.42 H new ATOM 0 HZ PHE A 33 -9.197 -1.756 -1.932 1.00 51.22 H new ATOM 467 N THR A 34 -10.886 -9.873 -1.335 1.00 32.12 N ATOM 468 CA THR A 34 -11.028 -11.318 -1.379 1.00 22.32 C ATOM 469 C THR A 34 -9.886 -11.941 -2.185 1.00 14.54 C ATOM 470 O THR A 34 -9.149 -11.231 -2.875 1.00 72.20 O ATOM 471 CB THR A 34 -12.405 -11.627 -1.995 1.00 42.42 C ATOM 472 OG1 THR A 34 -12.671 -10.760 -3.091 1.00 0.11 O ATOM 473 CG2 THR A 34 -13.495 -11.433 -0.939 1.00 31.23 C ATOM 0 H THR A 34 -11.539 -9.387 -1.950 1.00 32.12 H new ATOM 0 HA THR A 34 -10.972 -11.749 -0.380 1.00 22.32 H new ATOM 0 HB THR A 34 -12.399 -12.659 -2.347 1.00 42.42 H new ATOM 0 HG1 THR A 34 -13.549 -10.972 -3.470 1.00 0.11 H new ATOM 0 HG21 THR A 34 -14.469 -11.652 -1.377 1.00 31.23 H new ATOM 0 HG22 THR A 34 -13.314 -12.106 -0.101 1.00 31.23 H new ATOM 0 HG23 THR A 34 -13.480 -10.402 -0.586 1.00 31.23 H new ATOM 481 N ALA A 35 -9.762 -13.271 -2.140 1.00 43.21 N ATOM 482 CA ALA A 35 -8.736 -14.024 -2.855 1.00 42.25 C ATOM 483 C ALA A 35 -8.718 -13.636 -4.336 1.00 61.15 C ATOM 484 O ALA A 35 -7.654 -13.414 -4.907 1.00 23.22 O ATOM 485 CB ALA A 35 -8.990 -15.520 -2.677 1.00 61.54 C ATOM 0 H ALA A 35 -10.387 -13.863 -1.593 1.00 43.21 H new ATOM 0 HA ALA A 35 -7.756 -13.784 -2.442 1.00 42.25 H new ATOM 0 HB1 ALA A 35 -8.225 -16.085 -3.210 1.00 61.54 H new ATOM 0 HB2 ALA A 35 -8.954 -15.772 -1.617 1.00 61.54 H new ATOM 0 HB3 ALA A 35 -9.972 -15.772 -3.077 1.00 61.54 H new ATOM 491 N SER A 36 -9.899 -13.486 -4.944 1.00 4.54 N ATOM 492 CA SER A 36 -10.029 -13.100 -6.340 1.00 33.44 C ATOM 493 C SER A 36 -9.377 -11.742 -6.607 1.00 14.15 C ATOM 494 O SER A 36 -8.839 -11.532 -7.689 1.00 21.30 O ATOM 495 CB SER A 36 -11.511 -13.044 -6.706 1.00 60.12 C ATOM 496 OG SER A 36 -12.112 -14.304 -6.480 1.00 11.22 O ATOM 0 H SER A 36 -10.792 -13.631 -4.473 1.00 4.54 H new ATOM 0 HA SER A 36 -9.518 -13.841 -6.954 1.00 33.44 H new ATOM 0 HB2 SER A 36 -12.013 -12.281 -6.111 1.00 60.12 H new ATOM 0 HB3 SER A 36 -11.625 -12.759 -7.752 1.00 60.12 H new ATOM 0 HG SER A 36 -13.062 -14.260 -6.715 1.00 11.22 H new ATOM 502 N GLN A 37 -9.499 -10.780 -5.692 1.00 64.03 N ATOM 503 CA GLN A 37 -8.893 -9.466 -5.858 1.00 54.21 C ATOM 504 C GLN A 37 -7.392 -9.536 -5.564 1.00 60.30 C ATOM 505 O GLN A 37 -6.605 -8.840 -6.204 1.00 62.31 O ATOM 506 CB GLN A 37 -9.635 -8.441 -5.000 1.00 4.32 C ATOM 507 CG GLN A 37 -11.076 -8.262 -5.509 1.00 41.00 C ATOM 508 CD GLN A 37 -11.730 -7.020 -4.919 1.00 64.44 C ATOM 509 OE1 GLN A 37 -11.610 -6.758 -3.723 1.00 45.44 O ATOM 510 NE2 GLN A 37 -12.393 -6.213 -5.731 1.00 2.31 N ATOM 0 H GLN A 37 -10.018 -10.892 -4.821 1.00 64.03 H new ATOM 0 HA GLN A 37 -8.987 -9.135 -6.892 1.00 54.21 H new ATOM 0 HB2 GLN A 37 -9.647 -8.768 -3.960 1.00 4.32 H new ATOM 0 HB3 GLN A 37 -9.111 -7.486 -5.028 1.00 4.32 H new ATOM 0 HG2 GLN A 37 -11.072 -8.190 -6.597 1.00 41.00 H new ATOM 0 HG3 GLN A 37 -11.665 -9.142 -5.250 1.00 41.00 H new ATOM 0 HE21 GLN A 37 -12.483 -6.446 -6.720 1.00 2.31 H new ATOM 0 HE22 GLN A 37 -12.814 -5.358 -5.368 1.00 2.31 H new ATOM 519 N LEU A 38 -6.972 -10.360 -4.596 1.00 1.03 N ATOM 520 CA LEU A 38 -5.562 -10.528 -4.252 1.00 44.40 C ATOM 521 C LEU A 38 -4.812 -11.098 -5.449 1.00 31.33 C ATOM 522 O LEU A 38 -3.669 -10.715 -5.660 1.00 44.33 O ATOM 523 CB LEU A 38 -5.381 -11.501 -3.064 1.00 74.23 C ATOM 524 CG LEU A 38 -5.262 -10.889 -1.663 1.00 3.44 C ATOM 525 CD1 LEU A 38 -4.083 -9.923 -1.562 1.00 74.44 C ATOM 526 CD2 LEU A 38 -6.556 -10.251 -1.177 1.00 73.03 C ATOM 0 H LEU A 38 -7.604 -10.928 -4.031 1.00 1.03 H new ATOM 0 HA LEU A 38 -5.170 -9.550 -3.973 1.00 44.40 H new ATOM 0 HB2 LEU A 38 -6.226 -12.189 -3.060 1.00 74.23 H new ATOM 0 HB3 LEU A 38 -4.487 -12.096 -3.249 1.00 74.23 H new ATOM 0 HG LEU A 38 -5.063 -11.722 -0.989 1.00 3.44 H new ATOM 0 HD11 LEU A 38 -4.035 -9.512 -0.554 1.00 74.44 H new ATOM 0 HD12 LEU A 38 -3.157 -10.455 -1.782 1.00 74.44 H new ATOM 0 HD13 LEU A 38 -4.215 -9.112 -2.278 1.00 74.44 H new ATOM 0 HD21 LEU A 38 -6.405 -9.837 -0.180 1.00 73.03 H new ATOM 0 HD22 LEU A 38 -6.848 -9.454 -1.861 1.00 73.03 H new ATOM 0 HD23 LEU A 38 -7.342 -11.005 -1.141 1.00 73.03 H new ATOM 538 N ASP A 39 -5.471 -11.939 -6.249 1.00 33.15 N ATOM 539 CA ASP A 39 -4.933 -12.590 -7.436 1.00 4.12 C ATOM 540 C ASP A 39 -4.277 -11.579 -8.369 1.00 10.14 C ATOM 541 O ASP A 39 -3.135 -11.770 -8.791 1.00 54.32 O ATOM 542 CB ASP A 39 -6.079 -13.280 -8.174 1.00 21.30 C ATOM 543 CG ASP A 39 -5.572 -14.053 -9.379 1.00 31.54 C ATOM 544 OD1 ASP A 39 -5.716 -13.583 -10.531 1.00 22.15 O ATOM 545 OD2 ASP A 39 -5.094 -15.185 -9.175 1.00 10.13 O ATOM 0 H ASP A 39 -6.443 -12.194 -6.074 1.00 33.15 H new ATOM 0 HA ASP A 39 -4.177 -13.313 -7.128 1.00 4.12 H new ATOM 0 HB2 ASP A 39 -6.596 -13.958 -7.495 1.00 21.30 H new ATOM 0 HB3 ASP A 39 -6.807 -12.536 -8.497 1.00 21.30 H new ATOM 550 N ASP A 40 -4.995 -10.499 -8.678 1.00 51.13 N ATOM 551 CA ASP A 40 -4.496 -9.445 -9.550 1.00 11.35 C ATOM 552 C ASP A 40 -3.479 -8.594 -8.806 1.00 60.13 C ATOM 553 O ASP A 40 -2.446 -8.238 -9.377 1.00 52.13 O ATOM 554 CB ASP A 40 -5.632 -8.543 -10.047 1.00 33.30 C ATOM 555 CG ASP A 40 -6.196 -9.058 -11.361 1.00 61.53 C ATOM 556 OD1 ASP A 40 -7.336 -9.580 -11.372 1.00 1.34 O ATOM 557 OD2 ASP A 40 -5.482 -8.975 -12.384 1.00 33.13 O ATOM 0 H ASP A 40 -5.939 -10.334 -8.329 1.00 51.13 H new ATOM 0 HA ASP A 40 -4.029 -9.923 -10.411 1.00 11.35 H new ATOM 0 HB2 ASP A 40 -6.423 -8.501 -9.298 1.00 33.30 H new ATOM 0 HB3 ASP A 40 -5.263 -7.526 -10.178 1.00 33.30 H new ATOM 562 N LEU A 41 -3.749 -8.286 -7.533 1.00 42.05 N ATOM 563 CA LEU A 41 -2.871 -7.472 -6.706 1.00 34.44 C ATOM 564 C LEU A 41 -1.483 -8.083 -6.550 1.00 11.21 C ATOM 565 O LEU A 41 -0.529 -7.315 -6.414 1.00 61.34 O ATOM 566 CB LEU A 41 -3.511 -7.149 -5.347 1.00 21.44 C ATOM 567 CG LEU A 41 -4.198 -5.771 -5.290 1.00 41.22 C ATOM 568 CD1 LEU A 41 -3.196 -4.617 -5.300 1.00 61.13 C ATOM 569 CD2 LEU A 41 -5.297 -5.600 -6.335 1.00 53.45 C ATOM 0 H LEU A 41 -4.591 -8.600 -7.050 1.00 42.05 H new ATOM 0 HA LEU A 41 -2.733 -6.528 -7.233 1.00 34.44 H new ATOM 0 HB2 LEU A 41 -4.245 -7.919 -5.110 1.00 21.44 H new ATOM 0 HB3 LEU A 41 -2.742 -7.193 -4.575 1.00 21.44 H new ATOM 0 HG LEU A 41 -4.703 -5.735 -4.325 1.00 41.22 H new ATOM 0 HD11 LEU A 41 -3.732 -3.669 -5.258 1.00 61.13 H new ATOM 0 HD12 LEU A 41 -2.537 -4.699 -4.435 1.00 61.13 H new ATOM 0 HD13 LEU A 41 -2.603 -4.658 -6.213 1.00 61.13 H new ATOM 0 HD21 LEU A 41 -5.739 -4.608 -6.239 1.00 53.45 H new ATOM 0 HD22 LEU A 41 -4.872 -5.713 -7.332 1.00 53.45 H new ATOM 0 HD23 LEU A 41 -6.067 -6.356 -6.181 1.00 53.45 H new ATOM 581 N SER A 42 -1.328 -9.409 -6.566 1.00 33.42 N ATOM 582 CA SER A 42 -0.013 -10.037 -6.459 1.00 51.43 C ATOM 583 C SER A 42 0.819 -9.641 -7.685 1.00 21.11 C ATOM 584 O SER A 42 2.008 -9.336 -7.558 1.00 23.05 O ATOM 585 CB SER A 42 -0.106 -11.565 -6.308 1.00 54.45 C ATOM 586 OG SER A 42 -1.346 -12.129 -6.709 1.00 4.34 O ATOM 0 H SER A 42 -2.101 -10.069 -6.652 1.00 33.42 H new ATOM 0 HA SER A 42 0.476 -9.680 -5.553 1.00 51.43 H new ATOM 0 HB2 SER A 42 0.691 -12.023 -6.893 1.00 54.45 H new ATOM 0 HB3 SER A 42 0.075 -11.825 -5.265 1.00 54.45 H new ATOM 0 HG SER A 42 -1.618 -11.743 -7.568 1.00 4.34 H new ATOM 592 N THR A 43 0.196 -9.610 -8.865 1.00 21.01 N ATOM 593 CA THR A 43 0.850 -9.237 -10.105 1.00 23.22 C ATOM 594 C THR A 43 1.241 -7.751 -10.026 1.00 20.21 C ATOM 595 O THR A 43 2.345 -7.391 -10.431 1.00 40.42 O ATOM 596 CB THR A 43 -0.083 -9.575 -11.282 1.00 65.11 C ATOM 597 OG1 THR A 43 -0.613 -10.884 -11.129 1.00 31.34 O ATOM 598 CG2 THR A 43 0.662 -9.521 -12.610 1.00 43.02 C ATOM 0 H THR A 43 -0.789 -9.848 -8.980 1.00 21.01 H new ATOM 0 HA THR A 43 1.770 -9.798 -10.267 1.00 23.22 H new ATOM 0 HB THR A 43 -0.884 -8.836 -11.283 1.00 65.11 H new ATOM 0 HG1 THR A 43 -1.206 -11.087 -11.882 1.00 31.34 H new ATOM 0 HG21 THR A 43 -0.023 -9.764 -13.422 1.00 43.02 H new ATOM 0 HG22 THR A 43 1.063 -8.519 -12.762 1.00 43.02 H new ATOM 0 HG23 THR A 43 1.480 -10.241 -12.598 1.00 43.02 H new ATOM 606 N ILE A 44 0.387 -6.887 -9.462 1.00 61.13 N ATOM 607 CA ILE A 44 0.682 -5.456 -9.323 1.00 31.53 C ATOM 608 C ILE A 44 1.845 -5.273 -8.336 1.00 32.33 C ATOM 609 O ILE A 44 2.711 -4.427 -8.552 1.00 20.34 O ATOM 610 CB ILE A 44 -0.585 -4.678 -8.891 1.00 0.33 C ATOM 611 CG1 ILE A 44 -1.671 -4.826 -9.980 1.00 13.22 C ATOM 612 CG2 ILE A 44 -0.295 -3.182 -8.637 1.00 12.00 C ATOM 613 CD1 ILE A 44 -3.005 -4.153 -9.658 1.00 12.31 C ATOM 0 H ILE A 44 -0.523 -7.159 -9.091 1.00 61.13 H new ATOM 0 HA ILE A 44 0.987 -5.045 -10.285 1.00 31.53 H new ATOM 0 HB ILE A 44 -0.933 -5.103 -7.950 1.00 0.33 H new ATOM 0 HG12 ILE A 44 -1.288 -4.411 -10.912 1.00 13.22 H new ATOM 0 HG13 ILE A 44 -1.849 -5.887 -10.152 1.00 13.22 H new ATOM 0 HG21 ILE A 44 -1.214 -2.679 -8.337 1.00 12.00 H new ATOM 0 HG22 ILE A 44 0.447 -3.085 -7.845 1.00 12.00 H new ATOM 0 HG23 ILE A 44 0.087 -2.725 -9.550 1.00 12.00 H new ATOM 0 HD11 ILE A 44 -3.701 -4.312 -10.481 1.00 12.31 H new ATOM 0 HD12 ILE A 44 -3.418 -4.582 -8.745 1.00 12.31 H new ATOM 0 HD13 ILE A 44 -2.848 -3.084 -9.517 1.00 12.31 H new ATOM 625 N ALA A 45 1.901 -6.086 -7.277 1.00 72.42 N ATOM 626 CA ALA A 45 2.944 -6.031 -6.263 1.00 15.33 C ATOM 627 C ALA A 45 4.324 -6.209 -6.915 1.00 0.42 C ATOM 628 O ALA A 45 5.260 -5.472 -6.598 1.00 0.23 O ATOM 629 CB ALA A 45 2.636 -7.072 -5.181 1.00 45.30 C ATOM 0 H ALA A 45 1.207 -6.813 -7.102 1.00 72.42 H new ATOM 0 HA ALA A 45 2.967 -5.056 -5.777 1.00 15.33 H new ATOM 0 HB1 ALA A 45 3.411 -7.041 -4.415 1.00 45.30 H new ATOM 0 HB2 ALA A 45 1.669 -6.851 -4.729 1.00 45.30 H new ATOM 0 HB3 ALA A 45 2.609 -8.065 -5.629 1.00 45.30 H new ATOM 635 N GLN A 46 4.454 -7.138 -7.869 1.00 40.24 N ATOM 636 CA GLN A 46 5.710 -7.372 -8.580 1.00 63.11 C ATOM 637 C GLN A 46 6.148 -6.090 -9.303 1.00 2.20 C ATOM 638 O GLN A 46 7.337 -5.772 -9.343 1.00 10.51 O ATOM 639 CB GLN A 46 5.518 -8.486 -9.621 1.00 25.45 C ATOM 640 CG GLN A 46 5.837 -9.893 -9.119 1.00 35.12 C ATOM 641 CD GLN A 46 7.285 -10.326 -9.376 1.00 11.24 C ATOM 642 OE1 GLN A 46 8.224 -9.527 -9.353 1.00 34.22 O ATOM 643 NE2 GLN A 46 7.510 -11.595 -9.673 1.00 23.42 N ATOM 0 H GLN A 46 3.691 -7.746 -8.167 1.00 40.24 H new ATOM 0 HA GLN A 46 6.472 -7.666 -7.858 1.00 63.11 H new ATOM 0 HB2 GLN A 46 4.485 -8.465 -9.969 1.00 25.45 H new ATOM 0 HB3 GLN A 46 6.149 -8.271 -10.483 1.00 25.45 H new ATOM 0 HG2 GLN A 46 5.637 -9.941 -8.049 1.00 35.12 H new ATOM 0 HG3 GLN A 46 5.164 -10.602 -9.601 1.00 35.12 H new ATOM 0 HE21 GLN A 46 6.736 -12.259 -9.693 1.00 23.42 H new ATOM 0 HE22 GLN A 46 8.458 -11.910 -9.882 1.00 23.42 H new ATOM 652 N SER A 47 5.199 -5.322 -9.850 1.00 63.30 N ATOM 653 CA SER A 47 5.464 -4.084 -10.572 1.00 1.41 C ATOM 654 C SER A 47 6.134 -3.020 -9.698 1.00 44.52 C ATOM 655 O SER A 47 6.787 -2.104 -10.216 1.00 23.33 O ATOM 656 CB SER A 47 4.171 -3.551 -11.185 1.00 34.12 C ATOM 657 OG SER A 47 3.395 -4.601 -11.739 1.00 0.02 O ATOM 0 H SER A 47 4.207 -5.553 -9.799 1.00 63.30 H new ATOM 0 HA SER A 47 6.172 -4.317 -11.368 1.00 1.41 H new ATOM 0 HB2 SER A 47 3.592 -3.030 -10.423 1.00 34.12 H new ATOM 0 HB3 SER A 47 4.407 -2.821 -11.960 1.00 34.12 H new ATOM 0 HG SER A 47 2.572 -4.232 -12.123 1.00 0.02 H new ATOM 663 N LEU A 48 5.966 -3.103 -8.379 1.00 32.02 N ATOM 664 CA LEU A 48 6.573 -2.176 -7.440 1.00 12.03 C ATOM 665 C LEU A 48 8.015 -2.627 -7.238 1.00 63.41 C ATOM 666 O LEU A 48 8.938 -1.833 -7.445 1.00 15.41 O ATOM 667 CB LEU A 48 5.807 -2.168 -6.105 1.00 70.01 C ATOM 668 CG LEU A 48 4.698 -1.109 -6.032 1.00 60.42 C ATOM 669 CD1 LEU A 48 3.647 -1.197 -7.145 1.00 52.23 C ATOM 670 CD2 LEU A 48 3.993 -1.219 -4.680 1.00 34.02 C ATOM 0 H LEU A 48 5.399 -3.824 -7.933 1.00 32.02 H new ATOM 0 HA LEU A 48 6.540 -1.158 -7.827 1.00 12.03 H new ATOM 0 HB2 LEU A 48 5.367 -3.152 -5.943 1.00 70.01 H new ATOM 0 HB3 LEU A 48 6.513 -1.997 -5.293 1.00 70.01 H new ATOM 0 HG LEU A 48 5.196 -0.148 -6.162 1.00 60.42 H new ATOM 0 HD11 LEU A 48 2.906 -0.409 -7.009 1.00 52.23 H new ATOM 0 HD12 LEU A 48 4.132 -1.076 -8.114 1.00 52.23 H new ATOM 0 HD13 LEU A 48 3.155 -2.169 -7.105 1.00 52.23 H new ATOM 0 HD21 LEU A 48 3.203 -0.470 -4.619 1.00 34.02 H new ATOM 0 HD22 LEU A 48 3.559 -2.213 -4.576 1.00 34.02 H new ATOM 0 HD23 LEU A 48 4.714 -1.052 -3.879 1.00 34.02 H new ATOM 682 N VAL A 49 8.195 -3.894 -6.853 1.00 21.44 N ATOM 683 CA VAL A 49 9.480 -4.531 -6.586 1.00 21.30 C ATOM 684 C VAL A 49 10.428 -4.436 -7.782 1.00 60.55 C ATOM 685 O VAL A 49 11.574 -4.030 -7.584 1.00 24.11 O ATOM 686 CB VAL A 49 9.262 -5.995 -6.141 1.00 33.32 C ATOM 687 CG1 VAL A 49 10.586 -6.687 -5.800 1.00 15.32 C ATOM 688 CG2 VAL A 49 8.367 -6.075 -4.897 1.00 31.32 C ATOM 0 H VAL A 49 7.410 -4.530 -6.714 1.00 21.44 H new ATOM 0 HA VAL A 49 9.963 -3.992 -5.771 1.00 21.30 H new ATOM 0 HB VAL A 49 8.785 -6.496 -6.983 1.00 33.32 H new ATOM 0 HG11 VAL A 49 10.391 -7.714 -5.492 1.00 15.32 H new ATOM 0 HG12 VAL A 49 11.232 -6.688 -6.678 1.00 15.32 H new ATOM 0 HG13 VAL A 49 11.078 -6.152 -4.988 1.00 15.32 H new ATOM 0 HG21 VAL A 49 8.234 -7.118 -4.611 1.00 31.32 H new ATOM 0 HG22 VAL A 49 8.835 -5.531 -4.077 1.00 31.32 H new ATOM 0 HG23 VAL A 49 7.396 -5.633 -5.119 1.00 31.32 H new ATOM 698 N GLN A 50 9.969 -4.753 -9.001 1.00 23.01 N ATOM 699 CA GLN A 50 10.799 -4.711 -10.203 1.00 32.25 C ATOM 700 C GLN A 50 11.483 -3.348 -10.335 1.00 33.42 C ATOM 701 O GLN A 50 12.697 -3.295 -10.501 1.00 30.02 O ATOM 702 CB GLN A 50 10.005 -5.137 -11.461 1.00 22.43 C ATOM 703 CG GLN A 50 9.013 -4.083 -11.975 1.00 3.41 C ATOM 704 CD GLN A 50 8.061 -4.560 -13.071 1.00 30.53 C ATOM 705 OE1 GLN A 50 7.731 -5.736 -13.205 1.00 2.35 O ATOM 706 NE2 GLN A 50 7.540 -3.645 -13.866 1.00 54.40 N ATOM 0 H GLN A 50 9.008 -5.046 -9.177 1.00 23.01 H new ATOM 0 HA GLN A 50 11.596 -5.448 -10.107 1.00 32.25 H new ATOM 0 HB2 GLN A 50 10.710 -5.373 -12.258 1.00 22.43 H new ATOM 0 HB3 GLN A 50 9.459 -6.053 -11.237 1.00 22.43 H new ATOM 0 HG2 GLN A 50 8.421 -3.725 -11.133 1.00 3.41 H new ATOM 0 HG3 GLN A 50 9.578 -3.231 -12.353 1.00 3.41 H new ATOM 0 HE21 GLN A 50 7.808 -2.666 -13.762 1.00 54.40 H new ATOM 0 HE22 GLN A 50 6.869 -3.916 -14.585 1.00 54.40 H new ATOM 715 N SER A 51 10.733 -2.247 -10.205 1.00 31.25 N ATOM 716 CA SER A 51 11.297 -0.911 -10.313 1.00 74.12 C ATOM 717 C SER A 51 12.300 -0.634 -9.188 1.00 73.03 C ATOM 718 O SER A 51 13.281 0.065 -9.433 1.00 55.21 O ATOM 719 CB SER A 51 10.178 0.132 -10.378 1.00 3.33 C ATOM 720 OG SER A 51 9.603 0.169 -11.672 1.00 30.50 O ATOM 0 H SER A 51 9.729 -2.264 -10.024 1.00 31.25 H new ATOM 0 HA SER A 51 11.861 -0.842 -11.243 1.00 74.12 H new ATOM 0 HB2 SER A 51 9.411 -0.104 -9.640 1.00 3.33 H new ATOM 0 HB3 SER A 51 10.575 1.115 -10.123 1.00 3.33 H new ATOM 0 HG SER A 51 8.889 0.840 -11.694 1.00 30.50 H new ATOM 726 N ILE A 52 12.104 -1.160 -7.974 1.00 1.25 N ATOM 727 CA ILE A 52 13.060 -0.929 -6.889 1.00 34.30 C ATOM 728 C ILE A 52 14.356 -1.673 -7.251 1.00 32.11 C ATOM 729 O ILE A 52 15.437 -1.143 -6.998 1.00 4.54 O ATOM 730 CB ILE A 52 12.476 -1.290 -5.500 1.00 11.00 C ATOM 731 CG1 ILE A 52 11.187 -0.482 -5.237 1.00 52.35 C ATOM 732 CG2 ILE A 52 13.485 -0.959 -4.387 1.00 61.00 C ATOM 733 CD1 ILE A 52 10.386 -0.909 -4.012 1.00 24.51 C ATOM 0 H ILE A 52 11.304 -1.740 -7.721 1.00 1.25 H new ATOM 0 HA ILE A 52 13.287 0.133 -6.792 1.00 34.30 H new ATOM 0 HB ILE A 52 12.258 -2.358 -5.497 1.00 11.00 H new ATOM 0 HG12 ILE A 52 11.453 0.569 -5.128 1.00 52.35 H new ATOM 0 HG13 ILE A 52 10.545 -0.558 -6.115 1.00 52.35 H new ATOM 0 HG21 ILE A 52 13.057 -1.219 -3.419 1.00 61.00 H new ATOM 0 HG22 ILE A 52 14.400 -1.529 -4.544 1.00 61.00 H new ATOM 0 HG23 ILE A 52 13.713 0.107 -4.408 1.00 61.00 H new ATOM 0 HD11 ILE A 52 9.502 -0.279 -3.918 1.00 24.51 H new ATOM 0 HD12 ILE A 52 10.080 -1.950 -4.122 1.00 24.51 H new ATOM 0 HD13 ILE A 52 11.003 -0.804 -3.119 1.00 24.51 H new ATOM 745 N GLN A 53 14.279 -2.873 -7.847 1.00 12.04 N ATOM 746 CA GLN A 53 15.462 -3.630 -8.257 1.00 4.15 C ATOM 747 C GLN A 53 16.184 -2.859 -9.375 1.00 20.21 C ATOM 748 O GLN A 53 17.414 -2.754 -9.349 1.00 15.25 O ATOM 749 CB GLN A 53 15.097 -5.058 -8.698 1.00 20.11 C ATOM 750 CG GLN A 53 14.695 -5.957 -7.514 1.00 5.22 C ATOM 751 CD GLN A 53 14.525 -7.423 -7.903 1.00 33.12 C ATOM 752 OE1 GLN A 53 15.265 -7.929 -8.743 1.00 41.51 O ATOM 753 NE2 GLN A 53 13.599 -8.147 -7.303 1.00 72.43 N ATOM 0 H GLN A 53 13.397 -3.340 -8.056 1.00 12.04 H new ATOM 0 HA GLN A 53 16.132 -3.735 -7.404 1.00 4.15 H new ATOM 0 HB2 GLN A 53 14.275 -5.015 -9.413 1.00 20.11 H new ATOM 0 HB3 GLN A 53 15.947 -5.503 -9.216 1.00 20.11 H new ATOM 0 HG2 GLN A 53 15.453 -5.880 -6.734 1.00 5.22 H new ATOM 0 HG3 GLN A 53 13.761 -5.590 -7.088 1.00 5.22 H new ATOM 0 HE21 GLN A 53 12.989 -7.719 -6.607 1.00 72.43 H new ATOM 0 HE22 GLN A 53 13.494 -9.135 -7.536 1.00 72.43 H new ATOM 762 N SER A 54 15.433 -2.278 -10.314 1.00 33.30 N ATOM 763 CA SER A 54 15.936 -1.488 -11.427 1.00 3.54 C ATOM 764 C SER A 54 16.698 -0.274 -10.876 1.00 64.20 C ATOM 765 O SER A 54 17.848 -0.033 -11.252 1.00 50.34 O ATOM 766 CB SER A 54 14.752 -1.065 -12.307 1.00 51.51 C ATOM 767 OG SER A 54 14.052 -2.198 -12.793 1.00 2.10 O ATOM 0 H SER A 54 14.416 -2.352 -10.314 1.00 33.30 H new ATOM 0 HA SER A 54 16.626 -2.069 -12.039 1.00 3.54 H new ATOM 0 HB2 SER A 54 14.075 -0.433 -11.733 1.00 51.51 H new ATOM 0 HB3 SER A 54 15.112 -0.468 -13.145 1.00 51.51 H new ATOM 0 HG SER A 54 13.541 -2.605 -12.063 1.00 2.10 H new ATOM 773 N LEU A 55 16.104 0.471 -9.936 1.00 2.31 N ATOM 774 CA LEU A 55 16.742 1.638 -9.328 1.00 64.22 C ATOM 775 C LEU A 55 17.953 1.212 -8.492 1.00 44.53 C ATOM 776 O LEU A 55 18.950 1.939 -8.437 1.00 51.21 O ATOM 777 CB LEU A 55 15.743 2.420 -8.455 1.00 11.10 C ATOM 778 CG LEU A 55 15.030 3.599 -9.145 1.00 12.01 C ATOM 779 CD1 LEU A 55 16.013 4.704 -9.549 1.00 72.22 C ATOM 780 CD2 LEU A 55 14.190 3.195 -10.357 1.00 1.34 C ATOM 0 H LEU A 55 15.168 0.280 -9.578 1.00 2.31 H new ATOM 0 HA LEU A 55 17.081 2.293 -10.131 1.00 64.22 H new ATOM 0 HB2 LEU A 55 14.986 1.725 -8.091 1.00 11.10 H new ATOM 0 HB3 LEU A 55 16.273 2.801 -7.582 1.00 11.10 H new ATOM 0 HG LEU A 55 14.343 3.982 -8.391 1.00 12.01 H new ATOM 0 HD11 LEU A 55 15.469 5.516 -10.032 1.00 72.22 H new ATOM 0 HD12 LEU A 55 16.519 5.084 -8.661 1.00 72.22 H new ATOM 0 HD13 LEU A 55 16.751 4.299 -10.242 1.00 72.22 H new ATOM 0 HD21 LEU A 55 13.721 4.080 -10.786 1.00 1.34 H new ATOM 0 HD22 LEU A 55 14.831 2.726 -11.104 1.00 1.34 H new ATOM 0 HD23 LEU A 55 13.419 2.490 -10.046 1.00 1.34 H new ATOM 792 N ALA A 56 17.907 0.031 -7.861 1.00 42.55 N ATOM 793 CA ALA A 56 19.008 -0.480 -7.052 1.00 11.44 C ATOM 794 C ALA A 56 20.279 -0.611 -7.890 1.00 74.23 C ATOM 795 O ALA A 56 21.370 -0.447 -7.348 1.00 34.22 O ATOM 796 CB ALA A 56 18.670 -1.840 -6.431 1.00 32.14 C ATOM 0 H ALA A 56 17.102 -0.594 -7.901 1.00 42.55 H new ATOM 0 HA ALA A 56 19.173 0.237 -6.248 1.00 11.44 H new ATOM 0 HB1 ALA A 56 19.514 -2.188 -5.836 1.00 32.14 H new ATOM 0 HB2 ALA A 56 17.792 -1.740 -5.792 1.00 32.14 H new ATOM 0 HB3 ALA A 56 18.463 -2.560 -7.223 1.00 32.14 H new ATOM 802 N ALA A 57 20.142 -0.850 -9.200 1.00 73.42 N ATOM 803 CA ALA A 57 21.257 -0.994 -10.122 1.00 24.34 C ATOM 804 C ALA A 57 22.138 0.263 -10.161 1.00 12.14 C ATOM 805 O ALA A 57 23.305 0.166 -10.543 1.00 14.21 O ATOM 806 CB ALA A 57 20.718 -1.326 -11.518 1.00 52.34 C ATOM 0 H ALA A 57 19.232 -0.949 -9.650 1.00 73.42 H new ATOM 0 HA ALA A 57 21.890 -1.809 -9.771 1.00 24.34 H new ATOM 0 HB1 ALA A 57 21.551 -1.435 -12.213 1.00 52.34 H new ATOM 0 HB2 ALA A 57 20.154 -2.258 -11.478 1.00 52.34 H new ATOM 0 HB3 ALA A 57 20.065 -0.521 -11.857 1.00 52.34 H new ATOM 812 N GLN A 58 21.606 1.444 -9.820 1.00 11.24 N ATOM 813 CA GLN A 58 22.361 2.700 -9.802 1.00 11.32 C ATOM 814 C GLN A 58 22.489 3.253 -8.376 1.00 75.10 C ATOM 815 O GLN A 58 23.387 4.055 -8.111 1.00 43.10 O ATOM 816 CB GLN A 58 21.810 3.707 -10.823 1.00 13.31 C ATOM 817 CG GLN A 58 20.429 4.246 -10.454 1.00 13.02 C ATOM 818 CD GLN A 58 19.924 5.259 -11.475 1.00 74.30 C ATOM 819 OE1 GLN A 58 20.075 6.466 -11.312 1.00 14.52 O ATOM 820 NE2 GLN A 58 19.324 4.790 -12.553 1.00 20.14 N ATOM 0 H GLN A 58 20.629 1.554 -9.546 1.00 11.24 H new ATOM 0 HA GLN A 58 23.381 2.495 -10.127 1.00 11.32 H new ATOM 0 HB2 GLN A 58 22.506 4.541 -10.913 1.00 13.31 H new ATOM 0 HB3 GLN A 58 21.757 3.230 -11.802 1.00 13.31 H new ATOM 0 HG2 GLN A 58 19.723 3.419 -10.384 1.00 13.02 H new ATOM 0 HG3 GLN A 58 20.472 4.713 -9.470 1.00 13.02 H new ATOM 0 HE21 GLN A 58 19.206 3.784 -12.674 1.00 20.14 H new ATOM 0 HE22 GLN A 58 18.978 5.433 -13.265 1.00 20.14 H new ATOM 829 N GLY A 59 21.579 2.886 -7.463 1.00 50.34 N ATOM 830 CA GLY A 59 21.633 3.333 -6.076 1.00 61.11 C ATOM 831 C GLY A 59 21.295 4.813 -5.953 1.00 74.33 C ATOM 832 O GLY A 59 21.890 5.512 -5.129 1.00 52.22 O ATOM 0 H GLY A 59 20.790 2.273 -7.670 1.00 50.34 H new ATOM 0 HA2 GLY A 59 20.935 2.748 -5.477 1.00 61.11 H new ATOM 0 HA3 GLY A 59 22.629 3.151 -5.673 1.00 61.11 H new ATOM 836 N ARG A 60 20.399 5.324 -6.800 1.00 4.54 N ATOM 837 CA ARG A 60 20.027 6.729 -6.797 1.00 55.25 C ATOM 838 C ARG A 60 18.550 6.863 -7.116 1.00 44.32 C ATOM 839 O ARG A 60 18.191 6.918 -8.289 1.00 22.33 O ATOM 840 CB ARG A 60 20.937 7.452 -7.816 1.00 3.42 C ATOM 841 CG ARG A 60 20.972 8.985 -7.699 1.00 72.22 C ATOM 842 CD ARG A 60 22.077 9.526 -8.624 1.00 0.30 C ATOM 843 NE ARG A 60 22.627 10.825 -8.190 1.00 4.23 N ATOM 844 CZ ARG A 60 23.781 11.009 -7.526 1.00 60.31 C ATOM 845 NH1 ARG A 60 24.427 9.993 -6.960 1.00 52.04 N ATOM 846 NH2 ARG A 60 24.285 12.231 -7.424 1.00 44.13 N ATOM 0 H ARG A 60 19.914 4.770 -7.506 1.00 4.54 H new ATOM 0 HA ARG A 60 20.172 7.189 -5.820 1.00 55.25 H new ATOM 0 HB2 ARG A 60 21.953 7.073 -7.703 1.00 3.42 H new ATOM 0 HB3 ARG A 60 20.608 7.189 -8.821 1.00 3.42 H new ATOM 0 HG2 ARG A 60 20.006 9.407 -7.977 1.00 72.22 H new ATOM 0 HG3 ARG A 60 21.164 9.281 -6.668 1.00 72.22 H new ATOM 0 HD2 ARG A 60 22.886 8.797 -8.675 1.00 0.30 H new ATOM 0 HD3 ARG A 60 21.677 9.629 -9.633 1.00 0.30 H new ATOM 0 HE ARG A 60 22.082 11.658 -8.414 1.00 4.23 H new ATOM 0 HH11 ARG A 60 24.048 9.048 -7.025 1.00 52.04 H new ATOM 0 HH12 ARG A 60 25.301 10.159 -6.462 1.00 52.04 H new ATOM 0 HH21 ARG A 60 23.798 13.021 -7.847 1.00 44.13 H new ATOM 0 HH22 ARG A 60 25.160 12.381 -6.922 1.00 44.13 H new ATOM 860 N THR A 61 17.676 6.805 -6.118 1.00 14.14 N ATOM 861 CA THR A 61 16.244 6.972 -6.314 1.00 31.25 C ATOM 862 C THR A 61 15.976 8.373 -5.775 1.00 70.21 C ATOM 863 O THR A 61 16.036 8.584 -4.559 1.00 61.12 O ATOM 864 CB THR A 61 15.396 5.897 -5.608 1.00 73.32 C ATOM 865 OG1 THR A 61 15.851 4.591 -5.886 1.00 32.11 O ATOM 866 CG2 THR A 61 13.943 5.994 -6.082 1.00 33.24 C ATOM 0 H THR A 61 17.943 6.640 -5.147 1.00 14.14 H new ATOM 0 HA THR A 61 15.959 6.855 -7.360 1.00 31.25 H new ATOM 0 HB THR A 61 15.480 6.080 -4.537 1.00 73.32 H new ATOM 0 HG1 THR A 61 15.287 3.941 -5.417 1.00 32.11 H new ATOM 0 HG21 THR A 61 13.345 5.232 -5.581 1.00 33.24 H new ATOM 0 HG22 THR A 61 13.547 6.981 -5.843 1.00 33.24 H new ATOM 0 HG23 THR A 61 13.901 5.838 -7.160 1.00 33.24 H new ATOM 874 N SER A 62 15.760 9.351 -6.659 1.00 11.41 N ATOM 875 CA SER A 62 15.483 10.720 -6.234 1.00 24.00 C ATOM 876 C SER A 62 14.263 10.705 -5.295 1.00 12.14 C ATOM 877 O SER A 62 13.334 9.924 -5.535 1.00 11.43 O ATOM 878 CB SER A 62 15.253 11.601 -7.463 1.00 11.33 C ATOM 879 OG SER A 62 16.286 11.398 -8.406 1.00 62.12 O ATOM 0 H SER A 62 15.772 9.218 -7.670 1.00 11.41 H new ATOM 0 HA SER A 62 16.330 11.138 -5.689 1.00 24.00 H new ATOM 0 HB2 SER A 62 14.288 11.367 -7.913 1.00 11.33 H new ATOM 0 HB3 SER A 62 15.221 12.650 -7.168 1.00 11.33 H new ATOM 0 HG SER A 62 16.129 11.965 -9.190 1.00 62.12 H new ATOM 885 N PRO A 63 14.202 11.571 -4.269 1.00 24.13 N ATOM 886 CA PRO A 63 13.096 11.593 -3.314 1.00 23.43 C ATOM 887 C PRO A 63 11.745 11.834 -3.977 1.00 64.45 C ATOM 888 O PRO A 63 10.741 11.284 -3.530 1.00 34.54 O ATOM 889 CB PRO A 63 13.440 12.686 -2.295 1.00 12.34 C ATOM 890 CG PRO A 63 14.416 13.571 -3.058 1.00 51.12 C ATOM 891 CD PRO A 63 15.197 12.556 -3.887 1.00 62.14 C ATOM 0 HA PRO A 63 12.988 10.621 -2.833 1.00 23.43 H new ATOM 0 HB2 PRO A 63 12.554 13.239 -1.982 1.00 12.34 H new ATOM 0 HB3 PRO A 63 13.892 12.270 -1.394 1.00 12.34 H new ATOM 0 HG2 PRO A 63 13.900 14.298 -3.686 1.00 51.12 H new ATOM 0 HG3 PRO A 63 15.065 14.133 -2.387 1.00 51.12 H new ATOM 0 HD2 PRO A 63 15.653 13.021 -4.761 1.00 62.14 H new ATOM 0 HD3 PRO A 63 16.003 12.105 -3.309 1.00 62.14 H new ATOM 899 N ASN A 64 11.726 12.589 -5.079 1.00 25.31 N ATOM 900 CA ASN A 64 10.506 12.909 -5.804 1.00 15.14 C ATOM 901 C ASN A 64 9.852 11.628 -6.317 1.00 14.33 C ATOM 902 O ASN A 64 8.697 11.341 -5.991 1.00 3.12 O ATOM 903 CB ASN A 64 10.773 13.900 -6.952 1.00 51.05 C ATOM 904 CG ASN A 64 11.646 15.053 -6.494 1.00 55.51 C ATOM 905 OD1 ASN A 64 12.860 15.006 -6.686 1.00 11.32 O ATOM 906 ND2 ASN A 64 11.090 16.029 -5.810 1.00 50.41 N ATOM 0 H ASN A 64 12.566 12.995 -5.491 1.00 25.31 H new ATOM 0 HA ASN A 64 9.817 13.399 -5.116 1.00 15.14 H new ATOM 0 HB2 ASN A 64 11.258 13.380 -7.778 1.00 51.05 H new ATOM 0 HB3 ASN A 64 9.826 14.286 -7.330 1.00 51.05 H new ATOM 0 HD21 ASN A 64 11.669 16.774 -5.422 1.00 50.41 H new ATOM 0 HD22 ASN A 64 10.080 16.041 -5.667 1.00 50.41 H new ATOM 913 N LYS A 65 10.593 10.846 -7.114 1.00 42.44 N ATOM 914 CA LYS A 65 10.086 9.592 -7.666 1.00 55.40 C ATOM 915 C LYS A 65 9.849 8.569 -6.561 1.00 12.53 C ATOM 916 O LYS A 65 8.945 7.746 -6.700 1.00 44.14 O ATOM 917 CB LYS A 65 10.981 9.047 -8.795 1.00 33.51 C ATOM 918 CG LYS A 65 12.436 8.731 -8.408 1.00 41.05 C ATOM 919 CD LYS A 65 13.147 7.824 -9.425 1.00 63.30 C ATOM 920 CE LYS A 65 13.305 8.414 -10.832 1.00 65.32 C ATOM 921 NZ LYS A 65 14.342 9.460 -10.917 1.00 64.25 N ATOM 0 H LYS A 65 11.550 11.066 -7.389 1.00 42.44 H new ATOM 0 HA LYS A 65 9.121 9.800 -8.128 1.00 55.40 H new ATOM 0 HB2 LYS A 65 10.525 8.138 -9.187 1.00 33.51 H new ATOM 0 HB3 LYS A 65 10.991 9.774 -9.607 1.00 33.51 H new ATOM 0 HG2 LYS A 65 12.991 9.664 -8.312 1.00 41.05 H new ATOM 0 HG3 LYS A 65 12.449 8.250 -7.430 1.00 41.05 H new ATOM 0 HD2 LYS A 65 14.136 7.579 -9.039 1.00 63.30 H new ATOM 0 HD3 LYS A 65 12.594 6.888 -9.501 1.00 63.30 H new ATOM 0 HE2 LYS A 65 13.551 7.612 -11.528 1.00 65.32 H new ATOM 0 HE3 LYS A 65 12.351 8.832 -11.151 1.00 65.32 H new ATOM 0 HZ1 LYS A 65 14.397 9.816 -11.893 1.00 64.25 H new ATOM 0 HZ2 LYS A 65 14.099 10.243 -10.276 1.00 64.25 H new ATOM 0 HZ3 LYS A 65 15.262 9.060 -10.642 1.00 64.25 H new ATOM 935 N LEU A 66 10.629 8.619 -5.476 1.00 12.35 N ATOM 936 CA LEU A 66 10.508 7.716 -4.340 1.00 24.41 C ATOM 937 C LEU A 66 9.154 7.925 -3.655 1.00 40.30 C ATOM 938 O LEU A 66 8.485 6.955 -3.309 1.00 41.54 O ATOM 939 CB LEU A 66 11.671 7.971 -3.360 1.00 73.34 C ATOM 940 CG LEU A 66 11.832 6.901 -2.267 1.00 72.44 C ATOM 941 CD1 LEU A 66 12.428 5.603 -2.820 1.00 4.14 C ATOM 942 CD2 LEU A 66 12.759 7.429 -1.170 1.00 0.41 C ATOM 0 H LEU A 66 11.376 9.305 -5.366 1.00 12.35 H new ATOM 0 HA LEU A 66 10.560 6.682 -4.680 1.00 24.41 H new ATOM 0 HB2 LEU A 66 12.600 8.035 -3.927 1.00 73.34 H new ATOM 0 HB3 LEU A 66 11.521 8.940 -2.883 1.00 73.34 H new ATOM 0 HG LEU A 66 10.839 6.686 -1.871 1.00 72.44 H new ATOM 0 HD11 LEU A 66 12.524 4.875 -2.015 1.00 4.14 H new ATOM 0 HD12 LEU A 66 11.773 5.203 -3.594 1.00 4.14 H new ATOM 0 HD13 LEU A 66 13.411 5.806 -3.245 1.00 4.14 H new ATOM 0 HD21 LEU A 66 12.874 6.671 -0.395 1.00 0.41 H new ATOM 0 HD22 LEU A 66 13.734 7.661 -1.598 1.00 0.41 H new ATOM 0 HD23 LEU A 66 12.330 8.332 -0.735 1.00 0.41 H new ATOM 954 N GLN A 67 8.724 9.176 -3.466 1.00 50.22 N ATOM 955 CA GLN A 67 7.451 9.481 -2.819 1.00 73.50 C ATOM 956 C GLN A 67 6.267 9.138 -3.717 1.00 23.25 C ATOM 957 O GLN A 67 5.297 8.562 -3.229 1.00 70.15 O ATOM 958 CB GLN A 67 7.426 10.949 -2.356 1.00 43.53 C ATOM 959 CG GLN A 67 6.818 11.121 -0.954 1.00 21.23 C ATOM 960 CD GLN A 67 7.588 10.411 0.173 1.00 5.00 C ATOM 961 OE1 GLN A 67 8.582 9.715 -0.047 1.00 25.52 O ATOM 962 NE2 GLN A 67 7.144 10.550 1.409 1.00 71.43 N ATOM 0 H GLN A 67 9.249 10.001 -3.757 1.00 50.22 H new ATOM 0 HA GLN A 67 7.355 8.852 -1.934 1.00 73.50 H new ATOM 0 HB2 GLN A 67 8.442 11.343 -2.357 1.00 43.53 H new ATOM 0 HB3 GLN A 67 6.854 11.541 -3.070 1.00 43.53 H new ATOM 0 HG2 GLN A 67 6.764 12.185 -0.724 1.00 21.23 H new ATOM 0 HG3 GLN A 67 5.795 10.746 -0.968 1.00 21.23 H new ATOM 0 HE21 GLN A 67 6.322 11.125 1.594 1.00 71.43 H new ATOM 0 HE22 GLN A 67 7.623 10.082 2.179 1.00 71.43 H new ATOM 971 N ALA A 68 6.376 9.396 -5.027 1.00 0.44 N ATOM 972 CA ALA A 68 5.308 9.111 -5.983 1.00 14.43 C ATOM 973 C ALA A 68 4.864 7.641 -5.958 1.00 53.40 C ATOM 974 O ALA A 68 3.715 7.347 -6.302 1.00 22.04 O ATOM 975 CB ALA A 68 5.750 9.516 -7.389 1.00 54.32 C ATOM 0 H ALA A 68 7.208 9.808 -5.449 1.00 0.44 H new ATOM 0 HA ALA A 68 4.441 9.701 -5.687 1.00 14.43 H new ATOM 0 HB1 ALA A 68 4.950 9.301 -8.098 1.00 54.32 H new ATOM 0 HB2 ALA A 68 5.974 10.583 -7.407 1.00 54.32 H new ATOM 0 HB3 ALA A 68 6.641 8.953 -7.666 1.00 54.32 H new ATOM 981 N LEU A 69 5.752 6.732 -5.533 1.00 55.10 N ATOM 982 CA LEU A 69 5.472 5.304 -5.433 1.00 12.15 C ATOM 983 C LEU A 69 4.274 5.071 -4.517 1.00 30.44 C ATOM 984 O LEU A 69 3.447 4.208 -4.814 1.00 32.01 O ATOM 985 CB LEU A 69 6.687 4.541 -4.874 1.00 24.12 C ATOM 986 CG LEU A 69 7.904 4.530 -5.814 1.00 12.04 C ATOM 987 CD1 LEU A 69 9.189 4.088 -5.111 1.00 34.23 C ATOM 988 CD2 LEU A 69 7.656 3.622 -7.015 1.00 0.14 C ATOM 0 H LEU A 69 6.699 6.978 -5.246 1.00 55.10 H new ATOM 0 HA LEU A 69 5.253 4.934 -6.434 1.00 12.15 H new ATOM 0 HB2 LEU A 69 6.979 4.988 -3.924 1.00 24.12 H new ATOM 0 HB3 LEU A 69 6.393 3.513 -4.665 1.00 24.12 H new ATOM 0 HG LEU A 69 8.038 5.559 -6.147 1.00 12.04 H new ATOM 0 HD11 LEU A 69 10.015 4.099 -5.822 1.00 34.23 H new ATOM 0 HD12 LEU A 69 9.408 4.771 -4.290 1.00 34.23 H new ATOM 0 HD13 LEU A 69 9.061 3.079 -4.719 1.00 34.23 H new ATOM 0 HD21 LEU A 69 8.531 3.631 -7.665 1.00 0.14 H new ATOM 0 HD22 LEU A 69 7.471 2.605 -6.670 1.00 0.14 H new ATOM 0 HD23 LEU A 69 6.789 3.981 -7.569 1.00 0.14 H new ATOM 1000 N ASN A 70 4.174 5.845 -3.428 1.00 54.42 N ATOM 1001 CA ASN A 70 3.091 5.758 -2.455 1.00 1.13 C ATOM 1002 C ASN A 70 1.756 5.997 -3.153 1.00 63.41 C ATOM 1003 O ASN A 70 0.807 5.244 -2.921 1.00 61.42 O ATOM 1004 CB ASN A 70 3.275 6.770 -1.310 1.00 32.31 C ATOM 1005 CG ASN A 70 4.441 6.423 -0.395 1.00 72.12 C ATOM 1006 OD1 ASN A 70 4.511 5.325 0.147 1.00 74.52 O ATOM 1007 ND2 ASN A 70 5.348 7.347 -0.139 1.00 25.23 N ATOM 0 H ASN A 70 4.862 6.563 -3.199 1.00 54.42 H new ATOM 0 HA ASN A 70 3.106 4.759 -2.020 1.00 1.13 H new ATOM 0 HB2 ASN A 70 3.433 7.763 -1.731 1.00 32.31 H new ATOM 0 HB3 ASN A 70 2.359 6.816 -0.721 1.00 32.31 H new ATOM 0 HD21 ASN A 70 6.109 7.149 0.511 1.00 25.23 H new ATOM 0 HD22 ASN A 70 5.288 8.260 -0.591 1.00 25.23 H new ATOM 1014 N MET A 71 1.674 7.023 -4.006 1.00 0.22 N ATOM 1015 CA MET A 71 0.450 7.325 -4.735 1.00 15.01 C ATOM 1016 C MET A 71 0.109 6.163 -5.662 1.00 64.30 C ATOM 1017 O MET A 71 -1.022 5.694 -5.647 1.00 2.41 O ATOM 1018 CB MET A 71 0.571 8.596 -5.583 1.00 22.41 C ATOM 1019 CG MET A 71 0.746 9.895 -4.800 1.00 11.43 C ATOM 1020 SD MET A 71 0.619 11.352 -5.878 1.00 1.42 S ATOM 1021 CE MET A 71 2.167 11.235 -6.810 1.00 44.35 C ATOM 0 H MET A 71 2.447 7.658 -4.205 1.00 0.22 H new ATOM 0 HA MET A 71 -0.332 7.482 -3.992 1.00 15.01 H new ATOM 0 HB2 MET A 71 1.419 8.482 -6.258 1.00 22.41 H new ATOM 0 HB3 MET A 71 -0.321 8.684 -6.204 1.00 22.41 H new ATOM 0 HG2 MET A 71 -0.011 9.954 -4.018 1.00 11.43 H new ATOM 0 HG3 MET A 71 1.717 9.893 -4.304 1.00 11.43 H new ATOM 0 HE1 MET A 71 2.176 11.989 -7.597 1.00 44.35 H new ATOM 0 HE2 MET A 71 3.009 11.402 -6.139 1.00 44.35 H new ATOM 0 HE3 MET A 71 2.249 10.244 -7.256 1.00 44.35 H new ATOM 1031 N ALA A 72 1.069 5.679 -6.462 1.00 44.23 N ATOM 1032 CA ALA A 72 0.823 4.581 -7.393 1.00 32.44 C ATOM 1033 C ALA A 72 0.324 3.325 -6.674 1.00 32.44 C ATOM 1034 O ALA A 72 -0.548 2.634 -7.201 1.00 41.12 O ATOM 1035 CB ALA A 72 2.083 4.290 -8.208 1.00 65.25 C ATOM 0 H ALA A 72 2.025 6.035 -6.479 1.00 44.23 H new ATOM 0 HA ALA A 72 0.031 4.889 -8.075 1.00 32.44 H new ATOM 0 HB1 ALA A 72 1.888 3.470 -8.899 1.00 65.25 H new ATOM 0 HB2 ALA A 72 2.365 5.179 -8.771 1.00 65.25 H new ATOM 0 HB3 ALA A 72 2.895 4.013 -7.536 1.00 65.25 H new ATOM 1041 N PHE A 73 0.851 3.049 -5.479 1.00 53.41 N ATOM 1042 CA PHE A 73 0.478 1.902 -4.668 1.00 14.23 C ATOM 1043 C PHE A 73 -0.965 2.042 -4.173 1.00 74.14 C ATOM 1044 O PHE A 73 -1.759 1.116 -4.317 1.00 33.43 O ATOM 1045 CB PHE A 73 1.474 1.786 -3.501 1.00 72.41 C ATOM 1046 CG PHE A 73 1.317 0.587 -2.578 1.00 12.23 C ATOM 1047 CD1 PHE A 73 1.550 0.725 -1.191 1.00 34.30 C ATOM 1048 CD2 PHE A 73 1.039 -0.690 -3.107 1.00 11.33 C ATOM 1049 CE1 PHE A 73 1.527 -0.407 -0.358 1.00 0.31 C ATOM 1050 CE2 PHE A 73 1.004 -1.815 -2.267 1.00 53.33 C ATOM 1051 CZ PHE A 73 1.257 -1.677 -0.895 1.00 51.24 C ATOM 0 H PHE A 73 1.565 3.634 -5.044 1.00 53.41 H new ATOM 0 HA PHE A 73 0.521 0.989 -5.262 1.00 14.23 H new ATOM 0 HB2 PHE A 73 2.482 1.765 -3.916 1.00 72.41 H new ATOM 0 HB3 PHE A 73 1.397 2.691 -2.898 1.00 72.41 H new ATOM 0 HD1 PHE A 73 1.746 1.700 -0.771 1.00 34.30 H new ATOM 0 HD2 PHE A 73 0.852 -0.804 -4.165 1.00 11.33 H new ATOM 0 HE1 PHE A 73 1.718 -0.300 0.700 1.00 0.31 H new ATOM 0 HE2 PHE A 73 0.782 -2.788 -2.679 1.00 53.33 H new ATOM 0 HZ PHE A 73 1.244 -2.545 -0.252 1.00 51.24 H new ATOM 1061 N ALA A 74 -1.323 3.190 -3.589 1.00 2.30 N ATOM 1062 CA ALA A 74 -2.671 3.420 -3.077 1.00 3.12 C ATOM 1063 C ALA A 74 -3.712 3.543 -4.198 1.00 44.52 C ATOM 1064 O ALA A 74 -4.861 3.140 -4.019 1.00 3.40 O ATOM 1065 CB ALA A 74 -2.674 4.673 -2.202 1.00 44.32 C ATOM 0 H ALA A 74 -0.689 3.979 -3.460 1.00 2.30 H new ATOM 0 HA ALA A 74 -2.955 2.552 -2.482 1.00 3.12 H new ATOM 0 HB1 ALA A 74 -3.679 4.847 -1.819 1.00 44.32 H new ATOM 0 HB2 ALA A 74 -1.986 4.536 -1.368 1.00 44.32 H new ATOM 0 HB3 ALA A 74 -2.358 5.532 -2.795 1.00 44.32 H new ATOM 1071 N SER A 75 -3.311 4.053 -5.360 1.00 54.22 N ATOM 1072 CA SER A 75 -4.163 4.246 -6.520 1.00 61.23 C ATOM 1073 C SER A 75 -4.760 2.912 -6.996 1.00 42.53 C ATOM 1074 O SER A 75 -5.961 2.857 -7.272 1.00 21.21 O ATOM 1075 CB SER A 75 -3.330 4.980 -7.578 1.00 74.42 C ATOM 1076 OG SER A 75 -4.091 5.385 -8.685 1.00 40.10 O ATOM 0 H SER A 75 -2.349 4.352 -5.521 1.00 54.22 H new ATOM 0 HA SER A 75 -5.033 4.859 -6.284 1.00 61.23 H new ATOM 0 HB2 SER A 75 -2.864 5.854 -7.124 1.00 74.42 H new ATOM 0 HB3 SER A 75 -2.524 4.328 -7.916 1.00 74.42 H new ATOM 0 HG SER A 75 -4.908 5.829 -8.376 1.00 40.10 H new ATOM 1082 N SER A 76 -3.977 1.826 -7.076 1.00 13.42 N ATOM 1083 CA SER A 76 -4.505 0.531 -7.513 1.00 60.21 C ATOM 1084 C SER A 76 -5.405 -0.068 -6.427 1.00 61.02 C ATOM 1085 O SER A 76 -6.391 -0.737 -6.740 1.00 10.33 O ATOM 1086 CB SER A 76 -3.376 -0.410 -7.959 1.00 53.11 C ATOM 1087 OG SER A 76 -2.195 -0.243 -7.196 1.00 23.04 O ATOM 0 H SER A 76 -2.984 1.821 -6.845 1.00 13.42 H new ATOM 0 HA SER A 76 -5.130 0.678 -8.394 1.00 60.21 H new ATOM 0 HB2 SER A 76 -3.715 -1.443 -7.876 1.00 53.11 H new ATOM 0 HB3 SER A 76 -3.153 -0.231 -9.011 1.00 53.11 H new ATOM 0 HG SER A 76 -1.431 -0.606 -7.691 1.00 23.04 H new ATOM 1093 N LEU A 77 -5.109 0.199 -5.146 1.00 71.53 N ATOM 1094 CA LEU A 77 -5.928 -0.303 -4.045 1.00 73.24 C ATOM 1095 C LEU A 77 -7.329 0.299 -4.171 1.00 62.52 C ATOM 1096 O LEU A 77 -8.312 -0.403 -3.955 1.00 14.22 O ATOM 1097 CB LEU A 77 -5.350 0.074 -2.667 1.00 54.22 C ATOM 1098 CG LEU A 77 -4.024 -0.589 -2.264 1.00 23.30 C ATOM 1099 CD1 LEU A 77 -3.585 -0.059 -0.894 1.00 33.52 C ATOM 1100 CD2 LEU A 77 -4.137 -2.110 -2.181 1.00 65.53 C ATOM 0 H LEU A 77 -4.309 0.759 -4.853 1.00 71.53 H new ATOM 0 HA LEU A 77 -5.950 -1.391 -4.110 1.00 73.24 H new ATOM 0 HB2 LEU A 77 -5.210 1.155 -2.642 1.00 54.22 H new ATOM 0 HB3 LEU A 77 -6.095 -0.169 -1.909 1.00 54.22 H new ATOM 0 HG LEU A 77 -3.293 -0.343 -3.034 1.00 23.30 H new ATOM 0 HD11 LEU A 77 -2.644 -0.529 -0.607 1.00 33.52 H new ATOM 0 HD12 LEU A 77 -3.450 1.021 -0.948 1.00 33.52 H new ATOM 0 HD13 LEU A 77 -4.348 -0.292 -0.152 1.00 33.52 H new ATOM 0 HD21 LEU A 77 -3.174 -2.531 -1.893 1.00 65.53 H new ATOM 0 HD22 LEU A 77 -4.888 -2.379 -1.438 1.00 65.53 H new ATOM 0 HD23 LEU A 77 -4.430 -2.507 -3.153 1.00 65.53 H new ATOM 1112 N ALA A 78 -7.423 1.592 -4.502 1.00 61.11 N ATOM 1113 CA ALA A 78 -8.688 2.302 -4.656 1.00 0.21 C ATOM 1114 C ALA A 78 -9.418 1.855 -5.912 1.00 3.44 C ATOM 1115 O ALA A 78 -10.644 1.823 -5.899 1.00 43.24 O ATOM 1116 CB ALA A 78 -8.422 3.801 -4.746 1.00 44.24 C ATOM 0 H ALA A 78 -6.607 2.179 -4.672 1.00 61.11 H new ATOM 0 HA ALA A 78 -9.311 2.078 -3.790 1.00 0.21 H new ATOM 0 HB1 ALA A 78 -9.367 4.332 -4.861 1.00 44.24 H new ATOM 0 HB2 ALA A 78 -7.925 4.138 -3.836 1.00 44.24 H new ATOM 0 HB3 ALA A 78 -7.784 4.006 -5.605 1.00 44.24 H new ATOM 1122 N GLU A 79 -8.684 1.488 -6.965 1.00 12.32 N ATOM 1123 CA GLU A 79 -9.259 1.030 -8.222 1.00 71.35 C ATOM 1124 C GLU A 79 -10.148 -0.175 -7.919 1.00 40.33 C ATOM 1125 O GLU A 79 -11.358 -0.129 -8.114 1.00 22.51 O ATOM 1126 CB GLU A 79 -8.097 0.670 -9.173 1.00 44.43 C ATOM 1127 CG GLU A 79 -8.408 0.863 -10.652 1.00 10.31 C ATOM 1128 CD GLU A 79 -9.393 -0.138 -11.247 1.00 2.35 C ATOM 1129 OE1 GLU A 79 -10.540 0.298 -11.522 1.00 23.31 O ATOM 1130 OE2 GLU A 79 -8.985 -1.284 -11.542 1.00 61.15 O ATOM 0 H GLU A 79 -7.664 1.502 -6.964 1.00 12.32 H new ATOM 0 HA GLU A 79 -9.870 1.794 -8.703 1.00 71.35 H new ATOM 0 HB2 GLU A 79 -7.231 1.279 -8.914 1.00 44.43 H new ATOM 0 HB3 GLU A 79 -7.817 -0.370 -9.006 1.00 44.43 H new ATOM 0 HG2 GLU A 79 -8.806 1.868 -10.795 1.00 10.31 H new ATOM 0 HG3 GLU A 79 -7.475 0.807 -11.213 1.00 10.31 H new ATOM 1137 N ILE A 80 -9.551 -1.171 -7.268 1.00 24.34 N ATOM 1138 CA ILE A 80 -10.171 -2.424 -6.863 1.00 13.11 C ATOM 1139 C ILE A 80 -11.105 -2.222 -5.660 1.00 32.41 C ATOM 1140 O ILE A 80 -11.851 -3.127 -5.272 1.00 14.42 O ATOM 1141 CB ILE A 80 -9.035 -3.459 -6.725 1.00 71.23 C ATOM 1142 CG1 ILE A 80 -8.261 -3.620 -8.053 1.00 62.04 C ATOM 1143 CG2 ILE A 80 -9.497 -4.847 -6.274 1.00 51.42 C ATOM 1144 CD1 ILE A 80 -9.136 -3.912 -9.283 1.00 35.43 C ATOM 0 H ILE A 80 -8.569 -1.120 -6.996 1.00 24.34 H new ATOM 0 HA ILE A 80 -10.862 -2.825 -7.604 1.00 13.11 H new ATOM 0 HB ILE A 80 -8.393 -3.053 -5.943 1.00 71.23 H new ATOM 0 HG12 ILE A 80 -7.693 -2.708 -8.238 1.00 62.04 H new ATOM 0 HG13 ILE A 80 -7.539 -4.428 -7.939 1.00 62.04 H new ATOM 0 HG21 ILE A 80 -8.636 -5.512 -6.203 1.00 51.42 H new ATOM 0 HG22 ILE A 80 -9.978 -4.771 -5.299 1.00 51.42 H new ATOM 0 HG23 ILE A 80 -10.206 -5.248 -6.998 1.00 51.42 H new ATOM 0 HD11 ILE A 80 -8.503 -4.008 -10.165 1.00 35.43 H new ATOM 0 HD12 ILE A 80 -9.685 -4.841 -9.127 1.00 35.43 H new ATOM 0 HD13 ILE A 80 -9.841 -3.094 -9.430 1.00 35.43 H new ATOM 1156 N ALA A 81 -11.023 -1.076 -4.980 1.00 23.31 N ATOM 1157 CA ALA A 81 -11.908 -0.771 -3.868 1.00 23.44 C ATOM 1158 C ALA A 81 -13.240 -0.306 -4.455 1.00 4.12 C ATOM 1159 O ALA A 81 -14.275 -0.618 -3.878 1.00 3.22 O ATOM 1160 CB ALA A 81 -11.352 0.307 -2.933 1.00 43.53 C ATOM 0 H ALA A 81 -10.345 -0.343 -5.187 1.00 23.31 H new ATOM 0 HA ALA A 81 -12.021 -1.670 -3.262 1.00 23.44 H new ATOM 0 HB1 ALA A 81 -12.060 0.488 -2.124 1.00 43.53 H new ATOM 0 HB2 ALA A 81 -10.402 -0.028 -2.516 1.00 43.53 H new ATOM 0 HB3 ALA A 81 -11.197 1.229 -3.493 1.00 43.53 H new ATOM 1166 N ALA A 82 -13.192 0.446 -5.562 1.00 35.22 N ATOM 1167 CA ALA A 82 -14.355 0.981 -6.242 1.00 74.33 C ATOM 1168 C ALA A 82 -15.067 -0.062 -7.116 1.00 51.21 C ATOM 1169 O ALA A 82 -16.252 0.117 -7.413 1.00 61.15 O ATOM 1170 CB ALA A 82 -13.920 2.157 -7.121 1.00 44.25 C ATOM 0 H ALA A 82 -12.313 0.700 -6.014 1.00 35.22 H new ATOM 0 HA ALA A 82 -15.062 1.299 -5.476 1.00 74.33 H new ATOM 0 HB1 ALA A 82 -14.789 2.566 -7.637 1.00 44.25 H new ATOM 0 HB2 ALA A 82 -13.470 2.930 -6.498 1.00 44.25 H new ATOM 0 HB3 ALA A 82 -13.191 1.813 -7.855 1.00 44.25 H new ATOM 1176 N SER A 83 -14.369 -1.100 -7.585 1.00 51.23 N ATOM 1177 CA SER A 83 -14.959 -2.147 -8.414 1.00 22.40 C ATOM 1178 C SER A 83 -15.974 -2.962 -7.602 1.00 35.04 C ATOM 1179 O SER A 83 -15.913 -2.990 -6.370 1.00 70.32 O ATOM 1180 CB SER A 83 -13.856 -3.087 -8.920 1.00 64.50 C ATOM 1181 OG SER A 83 -12.717 -2.388 -9.388 1.00 34.54 O ATOM 0 H SER A 83 -13.375 -1.235 -7.398 1.00 51.23 H new ATOM 0 HA SER A 83 -15.466 -1.678 -9.258 1.00 22.40 H new ATOM 0 HB2 SER A 83 -13.560 -3.760 -8.115 1.00 64.50 H new ATOM 0 HB3 SER A 83 -14.253 -3.707 -9.724 1.00 64.50 H new ATOM 0 HG SER A 83 -12.044 -3.029 -9.697 1.00 34.54 H new ATOM 1187 N GLU A 84 -16.919 -3.609 -8.285 1.00 20.14 N ATOM 1188 CA GLU A 84 -17.927 -4.441 -7.643 1.00 13.15 C ATOM 1189 C GLU A 84 -17.297 -5.785 -7.249 1.00 43.44 C ATOM 1190 O GLU A 84 -16.125 -6.069 -7.528 1.00 73.05 O ATOM 1191 CB GLU A 84 -19.106 -4.706 -8.603 1.00 4.41 C ATOM 1192 CG GLU A 84 -20.039 -3.510 -8.805 1.00 53.01 C ATOM 1193 CD GLU A 84 -21.238 -3.883 -9.679 1.00 54.44 C ATOM 1194 OE1 GLU A 84 -21.888 -4.919 -9.413 1.00 25.11 O ATOM 1195 OE2 GLU A 84 -21.519 -3.147 -10.659 1.00 15.25 O ATOM 0 H GLU A 84 -17.004 -3.568 -9.301 1.00 20.14 H new ATOM 0 HA GLU A 84 -18.298 -3.920 -6.760 1.00 13.15 H new ATOM 0 HB2 GLU A 84 -18.709 -5.009 -9.572 1.00 4.41 H new ATOM 0 HB3 GLU A 84 -19.688 -5.545 -8.221 1.00 4.41 H new ATOM 0 HG2 GLU A 84 -20.389 -3.151 -7.837 1.00 53.01 H new ATOM 0 HG3 GLU A 84 -19.489 -2.691 -9.268 1.00 53.01 H new ATOM 1202 N GLU A 85 -18.114 -6.640 -6.636 1.00 24.31 N ATOM 1203 CA GLU A 85 -17.850 -7.990 -6.165 1.00 35.22 C ATOM 1204 C GLU A 85 -16.996 -8.039 -4.897 1.00 53.24 C ATOM 1205 O GLU A 85 -17.284 -8.849 -4.014 1.00 42.55 O ATOM 1206 CB GLU A 85 -17.216 -8.871 -7.264 1.00 55.25 C ATOM 1207 CG GLU A 85 -17.847 -8.807 -8.666 1.00 50.11 C ATOM 1208 CD GLU A 85 -19.277 -9.328 -8.673 1.00 22.33 C ATOM 1209 OE1 GLU A 85 -20.218 -8.570 -8.350 1.00 63.23 O ATOM 1210 OE2 GLU A 85 -19.479 -10.527 -8.981 1.00 13.44 O ATOM 0 H GLU A 85 -19.078 -6.371 -6.439 1.00 24.31 H new ATOM 0 HA GLU A 85 -18.829 -8.395 -5.908 1.00 35.22 H new ATOM 0 HB2 GLU A 85 -16.165 -8.596 -7.353 1.00 55.25 H new ATOM 0 HB3 GLU A 85 -17.247 -9.907 -6.926 1.00 55.25 H new ATOM 0 HG2 GLU A 85 -17.835 -7.777 -9.022 1.00 50.11 H new ATOM 0 HG3 GLU A 85 -17.245 -9.392 -9.361 1.00 50.11 H new ATOM 1217 N GLY A 86 -15.972 -7.197 -4.767 1.00 34.54 N ATOM 1218 CA GLY A 86 -15.095 -7.197 -3.606 1.00 75.21 C ATOM 1219 C GLY A 86 -15.665 -6.478 -2.390 1.00 73.51 C ATOM 1220 O GLY A 86 -16.053 -5.313 -2.477 1.00 5.30 O ATOM 0 H GLY A 86 -15.730 -6.496 -5.467 1.00 34.54 H new ATOM 0 HA2 GLY A 86 -14.873 -8.229 -3.333 1.00 75.21 H new ATOM 0 HA3 GLY A 86 -14.149 -6.729 -3.880 1.00 75.21 H new ATOM 1224 N GLY A 87 -15.577 -7.119 -1.224 1.00 15.14 N ATOM 1225 CA GLY A 87 -16.048 -6.568 0.040 1.00 35.12 C ATOM 1226 C GLY A 87 -17.568 -6.419 0.097 1.00 53.42 C ATOM 1227 O GLY A 87 -18.299 -7.001 -0.711 1.00 24.54 O ATOM 0 H GLY A 87 -15.170 -8.050 -1.134 1.00 15.14 H new ATOM 0 HA2 GLY A 87 -15.721 -7.213 0.856 1.00 35.12 H new ATOM 0 HA3 GLY A 87 -15.587 -5.593 0.200 1.00 35.12 H new ATOM 1231 N GLY A 88 -18.035 -5.688 1.110 1.00 20.32 N ATOM 1232 CA GLY A 88 -19.436 -5.385 1.380 1.00 74.51 C ATOM 1233 C GLY A 88 -19.696 -3.890 1.204 1.00 12.44 C ATOM 1234 O GLY A 88 -20.705 -3.516 0.601 1.00 45.04 O ATOM 0 H GLY A 88 -17.410 -5.270 1.800 1.00 20.32 H new ATOM 0 HA2 GLY A 88 -20.075 -5.955 0.705 1.00 74.51 H new ATOM 0 HA3 GLY A 88 -19.692 -5.689 2.395 1.00 74.51 H new ATOM 1238 N SER A 89 -18.803 -3.042 1.726 1.00 3.44 N ATOM 1239 CA SER A 89 -18.861 -1.586 1.639 1.00 52.43 C ATOM 1240 C SER A 89 -17.431 -1.065 1.433 1.00 5.41 C ATOM 1241 O SER A 89 -16.482 -1.551 2.063 1.00 35.35 O ATOM 1242 CB SER A 89 -19.499 -1.013 2.910 1.00 42.13 C ATOM 1243 OG SER A 89 -20.909 -1.039 2.844 1.00 44.13 O ATOM 0 H SER A 89 -17.987 -3.370 2.242 1.00 3.44 H new ATOM 0 HA SER A 89 -19.479 -1.269 0.799 1.00 52.43 H new ATOM 0 HB2 SER A 89 -19.165 -1.586 3.775 1.00 42.13 H new ATOM 0 HB3 SER A 89 -19.160 0.013 3.057 1.00 42.13 H new ATOM 0 HG SER A 89 -21.282 -0.668 3.671 1.00 44.13 H new ATOM 1249 N LEU A 90 -17.274 -0.008 0.634 1.00 63.33 N ATOM 1250 CA LEU A 90 -16.003 0.621 0.274 1.00 72.11 C ATOM 1251 C LEU A 90 -15.282 1.237 1.468 1.00 42.14 C ATOM 1252 O LEU A 90 -14.100 0.957 1.650 1.00 65.40 O ATOM 1253 CB LEU A 90 -16.237 1.627 -0.863 1.00 64.12 C ATOM 1254 CG LEU A 90 -15.007 1.853 -1.767 1.00 13.23 C ATOM 1255 CD1 LEU A 90 -15.495 2.417 -3.098 1.00 42.43 C ATOM 1256 CD2 LEU A 90 -13.978 2.836 -1.231 1.00 64.11 C ATOM 0 H LEU A 90 -18.071 0.456 0.198 1.00 63.33 H new ATOM 0 HA LEU A 90 -15.326 -0.155 -0.083 1.00 72.11 H new ATOM 0 HB2 LEU A 90 -17.067 1.278 -1.477 1.00 64.12 H new ATOM 0 HB3 LEU A 90 -16.539 2.582 -0.433 1.00 64.12 H new ATOM 0 HG LEU A 90 -14.516 0.883 -1.841 1.00 13.23 H new ATOM 0 HD11 LEU A 90 -14.643 2.586 -3.756 1.00 42.43 H new ATOM 0 HD12 LEU A 90 -16.179 1.708 -3.565 1.00 42.43 H new ATOM 0 HD13 LEU A 90 -16.013 3.361 -2.925 1.00 42.43 H new ATOM 0 HD21 LEU A 90 -13.155 2.924 -1.940 1.00 64.11 H new ATOM 0 HD22 LEU A 90 -14.444 3.812 -1.094 1.00 64.11 H new ATOM 0 HD23 LEU A 90 -13.597 2.478 -0.275 1.00 64.11 H new ATOM 1268 N SER A 91 -15.958 2.021 2.313 1.00 40.31 N ATOM 1269 CA SER A 91 -15.309 2.619 3.485 1.00 12.03 C ATOM 1270 C SER A 91 -14.765 1.520 4.412 1.00 33.14 C ATOM 1271 O SER A 91 -13.702 1.654 5.017 1.00 22.20 O ATOM 1272 CB SER A 91 -16.307 3.502 4.226 1.00 25.15 C ATOM 1273 OG SER A 91 -16.732 4.582 3.419 1.00 3.55 O ATOM 0 H SER A 91 -16.945 2.255 2.210 1.00 40.31 H new ATOM 0 HA SER A 91 -14.470 3.233 3.157 1.00 12.03 H new ATOM 0 HB2 SER A 91 -17.170 2.907 4.526 1.00 25.15 H new ATOM 0 HB3 SER A 91 -15.850 3.884 5.139 1.00 25.15 H new ATOM 0 HG SER A 91 -17.372 5.131 3.918 1.00 3.55 H new ATOM 1279 N THR A 92 -15.478 0.399 4.514 1.00 23.33 N ATOM 1280 CA THR A 92 -15.061 -0.729 5.329 1.00 4.03 C ATOM 1281 C THR A 92 -13.809 -1.334 4.679 1.00 13.32 C ATOM 1282 O THR A 92 -12.805 -1.590 5.335 1.00 73.23 O ATOM 1283 CB THR A 92 -16.218 -1.730 5.409 1.00 72.03 C ATOM 1284 OG1 THR A 92 -17.462 -1.058 5.448 1.00 63.25 O ATOM 1285 CG2 THR A 92 -16.053 -2.597 6.643 1.00 63.12 C ATOM 0 H THR A 92 -16.364 0.252 4.030 1.00 23.33 H new ATOM 0 HA THR A 92 -14.813 -0.433 6.348 1.00 4.03 H new ATOM 0 HB THR A 92 -16.200 -2.359 4.519 1.00 72.03 H new ATOM 0 HG1 THR A 92 -18.147 -1.658 5.810 1.00 63.25 H new ATOM 0 HG21 THR A 92 -16.876 -3.309 6.700 1.00 63.12 H new ATOM 0 HG22 THR A 92 -15.109 -3.138 6.584 1.00 63.12 H new ATOM 0 HG23 THR A 92 -16.056 -1.968 7.533 1.00 63.12 H new ATOM 1293 N LYS A 93 -13.846 -1.490 3.355 1.00 14.41 N ATOM 1294 CA LYS A 93 -12.773 -2.016 2.516 1.00 42.43 C ATOM 1295 C LYS A 93 -11.485 -1.243 2.782 1.00 43.44 C ATOM 1296 O LYS A 93 -10.444 -1.852 3.034 1.00 35.13 O ATOM 1297 CB LYS A 93 -13.189 -1.897 1.034 1.00 0.23 C ATOM 1298 CG LYS A 93 -12.660 -3.018 0.149 1.00 53.04 C ATOM 1299 CD LYS A 93 -13.523 -3.141 -1.121 1.00 33.32 C ATOM 1300 CE LYS A 93 -13.171 -4.356 -1.983 1.00 1.22 C ATOM 1301 NZ LYS A 93 -11.883 -4.253 -2.692 1.00 33.22 N ATOM 0 H LYS A 93 -14.672 -1.238 2.811 1.00 14.41 H new ATOM 0 HA LYS A 93 -12.595 -3.066 2.751 1.00 42.43 H new ATOM 0 HB2 LYS A 93 -14.277 -1.883 0.973 1.00 0.23 H new ATOM 0 HB3 LYS A 93 -12.835 -0.943 0.644 1.00 0.23 H new ATOM 0 HG2 LYS A 93 -11.624 -2.818 -0.124 1.00 53.04 H new ATOM 0 HG3 LYS A 93 -12.669 -3.960 0.697 1.00 53.04 H new ATOM 0 HD2 LYS A 93 -14.573 -3.202 -0.833 1.00 33.32 H new ATOM 0 HD3 LYS A 93 -13.408 -2.236 -1.718 1.00 33.32 H new ATOM 0 HE2 LYS A 93 -13.151 -5.242 -1.348 1.00 1.22 H new ATOM 0 HE3 LYS A 93 -13.963 -4.507 -2.716 1.00 1.22 H new ATOM 0 HZ1 LYS A 93 -11.502 -5.206 -2.860 1.00 33.22 H new ATOM 0 HZ2 LYS A 93 -12.026 -3.771 -3.603 1.00 33.22 H new ATOM 0 HZ3 LYS A 93 -11.211 -3.709 -2.114 1.00 33.22 H new ATOM 1315 N THR A 94 -11.537 0.092 2.723 1.00 72.14 N ATOM 1316 CA THR A 94 -10.373 0.930 2.965 1.00 22.00 C ATOM 1317 C THR A 94 -9.907 0.751 4.413 1.00 12.13 C ATOM 1318 O THR A 94 -8.707 0.651 4.658 1.00 2.03 O ATOM 1319 CB THR A 94 -10.651 2.394 2.580 1.00 62.41 C ATOM 1320 OG1 THR A 94 -11.834 2.869 3.171 1.00 64.10 O ATOM 1321 CG2 THR A 94 -10.824 2.518 1.066 1.00 72.31 C ATOM 0 H THR A 94 -12.386 0.614 2.507 1.00 72.14 H new ATOM 0 HA THR A 94 -9.551 0.616 2.322 1.00 22.00 H new ATOM 0 HB THR A 94 -9.800 2.978 2.931 1.00 62.41 H new ATOM 0 HG1 THR A 94 -12.160 2.214 3.823 1.00 64.10 H new ATOM 0 HG21 THR A 94 -11.020 3.558 0.806 1.00 72.31 H new ATOM 0 HG22 THR A 94 -9.914 2.185 0.567 1.00 72.31 H new ATOM 0 HG23 THR A 94 -11.662 1.899 0.744 1.00 72.31 H new ATOM 1329 N SER A 95 -10.831 0.647 5.371 1.00 3.01 N ATOM 1330 CA SER A 95 -10.503 0.452 6.775 1.00 41.44 C ATOM 1331 C SER A 95 -9.735 -0.869 6.967 1.00 14.12 C ATOM 1332 O SER A 95 -8.766 -0.901 7.730 1.00 33.44 O ATOM 1333 CB SER A 95 -11.808 0.522 7.584 1.00 10.11 C ATOM 1334 OG SER A 95 -11.602 0.483 8.984 1.00 43.23 O ATOM 0 H SER A 95 -11.833 0.697 5.187 1.00 3.01 H new ATOM 0 HA SER A 95 -9.838 1.236 7.138 1.00 41.44 H new ATOM 0 HB2 SER A 95 -12.338 1.439 7.327 1.00 10.11 H new ATOM 0 HB3 SER A 95 -12.451 -0.309 7.295 1.00 10.11 H new ATOM 0 HG SER A 95 -12.466 0.532 9.443 1.00 43.23 H new ATOM 1340 N SER A 96 -10.097 -1.938 6.244 1.00 43.40 N ATOM 1341 CA SER A 96 -9.442 -3.236 6.350 1.00 4.32 C ATOM 1342 C SER A 96 -7.953 -3.140 5.995 1.00 41.31 C ATOM 1343 O SER A 96 -7.122 -3.820 6.602 1.00 5.45 O ATOM 1344 CB SER A 96 -10.153 -4.253 5.439 1.00 50.33 C ATOM 1345 OG SER A 96 -11.541 -4.358 5.714 1.00 21.25 O ATOM 0 H SER A 96 -10.859 -1.919 5.566 1.00 43.40 H new ATOM 0 HA SER A 96 -9.511 -3.573 7.384 1.00 4.32 H new ATOM 0 HB2 SER A 96 -10.014 -3.961 4.398 1.00 50.33 H new ATOM 0 HB3 SER A 96 -9.688 -5.231 5.561 1.00 50.33 H new ATOM 0 HG SER A 96 -11.978 -3.502 5.523 1.00 21.25 H new ATOM 1351 N ILE A 97 -7.593 -2.311 5.013 1.00 70.51 N ATOM 1352 CA ILE A 97 -6.215 -2.128 4.571 1.00 12.21 C ATOM 1353 C ILE A 97 -5.366 -1.581 5.712 1.00 4.03 C ATOM 1354 O ILE A 97 -4.275 -2.103 5.915 1.00 72.43 O ATOM 1355 CB ILE A 97 -6.187 -1.193 3.354 1.00 12.24 C ATOM 1356 CG1 ILE A 97 -6.749 -1.940 2.126 1.00 61.24 C ATOM 1357 CG2 ILE A 97 -4.805 -0.618 3.007 1.00 52.11 C ATOM 1358 CD1 ILE A 97 -7.532 -1.022 1.189 1.00 13.22 C ATOM 0 H ILE A 97 -8.263 -1.741 4.497 1.00 70.51 H new ATOM 0 HA ILE A 97 -5.794 -3.089 4.276 1.00 12.21 H new ATOM 0 HB ILE A 97 -6.803 -0.336 3.627 1.00 12.24 H new ATOM 0 HG12 ILE A 97 -5.927 -2.399 1.576 1.00 61.24 H new ATOM 0 HG13 ILE A 97 -7.398 -2.749 2.463 1.00 61.24 H new ATOM 0 HG21 ILE A 97 -4.889 0.029 2.134 1.00 52.11 H new ATOM 0 HG22 ILE A 97 -4.428 -0.041 3.852 1.00 52.11 H new ATOM 0 HG23 ILE A 97 -4.116 -1.434 2.789 1.00 52.11 H new ATOM 0 HD11 ILE A 97 -7.905 -1.599 0.342 1.00 13.22 H new ATOM 0 HD12 ILE A 97 -8.372 -0.583 1.727 1.00 13.22 H new ATOM 0 HD13 ILE A 97 -6.879 -0.228 0.828 1.00 13.22 H new ATOM 1370 N ALA A 98 -5.831 -0.567 6.459 1.00 61.44 N ATOM 1371 CA ALA A 98 -5.041 -0.011 7.559 1.00 52.45 C ATOM 1372 C ALA A 98 -4.720 -1.099 8.578 1.00 14.43 C ATOM 1373 O ALA A 98 -3.612 -1.158 9.112 1.00 53.23 O ATOM 1374 CB ALA A 98 -5.756 1.145 8.273 1.00 22.40 C ATOM 0 H ALA A 98 -6.739 -0.123 6.321 1.00 61.44 H new ATOM 0 HA ALA A 98 -4.124 0.382 7.119 1.00 52.45 H new ATOM 0 HB1 ALA A 98 -5.126 1.520 9.080 1.00 22.40 H new ATOM 0 HB2 ALA A 98 -5.950 1.948 7.561 1.00 22.40 H new ATOM 0 HB3 ALA A 98 -6.700 0.789 8.686 1.00 22.40 H new ATOM 1380 N SER A 99 -5.690 -1.970 8.838 1.00 3.53 N ATOM 1381 CA SER A 99 -5.534 -3.061 9.786 1.00 32.12 C ATOM 1382 C SER A 99 -4.473 -4.042 9.273 1.00 42.15 C ATOM 1383 O SER A 99 -3.587 -4.435 10.037 1.00 64.22 O ATOM 1384 CB SER A 99 -6.889 -3.735 10.001 1.00 13.32 C ATOM 1385 OG SER A 99 -7.907 -2.764 10.167 1.00 23.43 O ATOM 0 H SER A 99 -6.608 -1.937 8.394 1.00 3.53 H new ATOM 0 HA SER A 99 -5.190 -2.685 10.750 1.00 32.12 H new ATOM 0 HB2 SER A 99 -7.123 -4.373 9.149 1.00 13.32 H new ATOM 0 HB3 SER A 99 -6.846 -4.379 10.880 1.00 13.32 H new ATOM 0 HG SER A 99 -8.768 -3.212 10.302 1.00 23.43 H new ATOM 1391 N ALA A 100 -4.536 -4.411 7.984 1.00 43.44 N ATOM 1392 CA ALA A 100 -3.571 -5.329 7.386 1.00 4.45 C ATOM 1393 C ALA A 100 -2.180 -4.690 7.387 1.00 11.35 C ATOM 1394 O ALA A 100 -1.196 -5.359 7.683 1.00 32.22 O ATOM 1395 CB ALA A 100 -4.019 -5.750 5.980 1.00 3.45 C ATOM 0 H ALA A 100 -5.253 -4.082 7.337 1.00 43.44 H new ATOM 0 HA ALA A 100 -3.519 -6.240 7.983 1.00 4.45 H new ATOM 0 HB1 ALA A 100 -3.285 -6.434 5.554 1.00 3.45 H new ATOM 0 HB2 ALA A 100 -4.987 -6.248 6.040 1.00 3.45 H new ATOM 0 HB3 ALA A 100 -4.104 -4.868 5.346 1.00 3.45 H new ATOM 1401 N LEU A 101 -2.092 -3.392 7.077 1.00 22.42 N ATOM 1402 CA LEU A 101 -0.847 -2.636 7.055 1.00 10.22 C ATOM 1403 C LEU A 101 -0.232 -2.677 8.442 1.00 25.34 C ATOM 1404 O LEU A 101 0.951 -2.957 8.554 1.00 20.34 O ATOM 1405 CB LEU A 101 -1.094 -1.169 6.667 1.00 74.44 C ATOM 1406 CG LEU A 101 -1.022 -0.901 5.157 1.00 4.01 C ATOM 1407 CD1 LEU A 101 -1.769 0.390 4.813 1.00 63.44 C ATOM 1408 CD2 LEU A 101 0.440 -0.766 4.715 1.00 74.31 C ATOM 0 H LEU A 101 -2.907 -2.830 6.830 1.00 22.42 H new ATOM 0 HA LEU A 101 -0.181 -3.082 6.316 1.00 10.22 H new ATOM 0 HB2 LEU A 101 -2.076 -0.868 7.033 1.00 74.44 H new ATOM 0 HB3 LEU A 101 -0.360 -0.542 7.172 1.00 74.44 H new ATOM 0 HG LEU A 101 -1.485 -1.739 4.636 1.00 4.01 H new ATOM 0 HD11 LEU A 101 -1.711 0.569 3.739 1.00 63.44 H new ATOM 0 HD12 LEU A 101 -2.814 0.296 5.109 1.00 63.44 H new ATOM 0 HD13 LEU A 101 -1.315 1.226 5.345 1.00 63.44 H new ATOM 0 HD21 LEU A 101 0.480 -0.576 3.642 1.00 74.31 H new ATOM 0 HD22 LEU A 101 0.906 0.063 5.248 1.00 74.31 H new ATOM 0 HD23 LEU A 101 0.975 -1.689 4.940 1.00 74.31 H new ATOM 1420 N SER A 102 -1.022 -2.415 9.485 1.00 51.01 N ATOM 1421 CA SER A 102 -0.566 -2.417 10.868 1.00 12.24 C ATOM 1422 C SER A 102 0.151 -3.727 11.191 1.00 43.25 C ATOM 1423 O SER A 102 1.309 -3.716 11.608 1.00 13.21 O ATOM 1424 CB SER A 102 -1.756 -2.178 11.806 1.00 51.31 C ATOM 1425 OG SER A 102 -2.434 -0.971 11.494 1.00 61.43 O ATOM 0 H SER A 102 -2.012 -2.192 9.386 1.00 51.01 H new ATOM 0 HA SER A 102 0.150 -1.608 11.015 1.00 12.24 H new ATOM 0 HB2 SER A 102 -2.450 -3.015 11.734 1.00 51.31 H new ATOM 0 HB3 SER A 102 -1.405 -2.143 12.837 1.00 51.31 H new ATOM 0 HG SER A 102 -3.084 -1.136 10.779 1.00 61.43 H new ATOM 1431 N ASN A 103 -0.520 -4.854 10.948 1.00 23.54 N ATOM 1432 CA ASN A 103 0.037 -6.177 11.201 1.00 41.24 C ATOM 1433 C ASN A 103 1.283 -6.430 10.347 1.00 53.34 C ATOM 1434 O ASN A 103 2.264 -6.993 10.821 1.00 74.51 O ATOM 1435 CB ASN A 103 -1.039 -7.227 10.903 1.00 1.42 C ATOM 1436 CG ASN A 103 -0.617 -8.575 11.459 1.00 14.34 C ATOM 1437 OD1 ASN A 103 -0.928 -8.891 12.606 1.00 73.13 O ATOM 1438 ND2 ASN A 103 0.065 -9.384 10.673 1.00 65.41 N ATOM 0 H ASN A 103 -1.467 -4.871 10.569 1.00 23.54 H new ATOM 0 HA ASN A 103 0.342 -6.242 12.245 1.00 41.24 H new ATOM 0 HB2 ASN A 103 -1.988 -6.923 11.345 1.00 1.42 H new ATOM 0 HB3 ASN A 103 -1.198 -7.302 9.827 1.00 1.42 H new ATOM 0 HD21 ASN A 103 0.351 -10.303 11.011 1.00 65.41 H new ATOM 0 HD22 ASN A 103 0.307 -9.091 9.726 1.00 65.41 H new ATOM 1445 N ALA A 104 1.269 -5.990 9.088 1.00 23.42 N ATOM 1446 CA ALA A 104 2.382 -6.168 8.171 1.00 74.42 C ATOM 1447 C ALA A 104 3.590 -5.294 8.538 1.00 45.40 C ATOM 1448 O ALA A 104 4.722 -5.704 8.289 1.00 24.02 O ATOM 1449 CB ALA A 104 1.884 -5.889 6.752 1.00 31.34 C ATOM 0 H ALA A 104 0.476 -5.497 8.678 1.00 23.42 H new ATOM 0 HA ALA A 104 2.740 -7.195 8.239 1.00 74.42 H new ATOM 0 HB1 ALA A 104 2.705 -6.017 6.047 1.00 31.34 H new ATOM 0 HB2 ALA A 104 1.081 -6.584 6.505 1.00 31.34 H new ATOM 0 HB3 ALA A 104 1.510 -4.867 6.692 1.00 31.34 H new ATOM 1455 N PHE A 105 3.398 -4.111 9.130 1.00 55.23 N ATOM 1456 CA PHE A 105 4.467 -3.194 9.537 1.00 2.14 C ATOM 1457 C PHE A 105 5.334 -3.852 10.617 1.00 23.20 C ATOM 1458 O PHE A 105 6.555 -3.656 10.677 1.00 21.42 O ATOM 1459 CB PHE A 105 3.863 -1.869 10.025 1.00 12.00 C ATOM 1460 CG PHE A 105 4.078 -0.708 9.075 1.00 24.23 C ATOM 1461 CD1 PHE A 105 5.260 0.053 9.151 1.00 43.04 C ATOM 1462 CD2 PHE A 105 3.093 -0.372 8.130 1.00 54.03 C ATOM 1463 CE1 PHE A 105 5.446 1.153 8.293 1.00 23.23 C ATOM 1464 CE2 PHE A 105 3.275 0.728 7.279 1.00 52.42 C ATOM 1465 CZ PHE A 105 4.447 1.491 7.362 1.00 23.51 C ATOM 0 H PHE A 105 2.467 -3.755 9.346 1.00 55.23 H new ATOM 0 HA PHE A 105 5.107 -2.974 8.682 1.00 2.14 H new ATOM 0 HB2 PHE A 105 2.793 -2.005 10.181 1.00 12.00 H new ATOM 0 HB3 PHE A 105 4.297 -1.618 10.993 1.00 12.00 H new ATOM 0 HD1 PHE A 105 6.024 -0.207 9.868 1.00 43.04 H new ATOM 0 HD2 PHE A 105 2.192 -0.963 8.059 1.00 54.03 H new ATOM 0 HE1 PHE A 105 6.353 1.736 8.349 1.00 23.23 H new ATOM 0 HE2 PHE A 105 2.512 0.987 6.560 1.00 52.42 H new ATOM 0 HZ PHE A 105 4.584 2.341 6.710 1.00 23.51 H new ATOM 1475 N LEU A 106 4.713 -4.683 11.460 1.00 42.33 N ATOM 1476 CA LEU A 106 5.381 -5.432 12.518 1.00 4.11 C ATOM 1477 C LEU A 106 6.439 -6.358 11.908 1.00 40.40 C ATOM 1478 O LEU A 106 7.385 -6.747 12.589 1.00 12.14 O ATOM 1479 CB LEU A 106 4.372 -6.217 13.378 1.00 21.44 C ATOM 1480 CG LEU A 106 3.956 -5.519 14.680 1.00 3.32 C ATOM 1481 CD1 LEU A 106 5.150 -5.183 15.579 1.00 21.12 C ATOM 1482 CD2 LEU A 106 3.152 -4.250 14.405 1.00 34.34 C ATOM 0 H LEU A 106 3.708 -4.854 11.421 1.00 42.33 H new ATOM 0 HA LEU A 106 5.878 -4.726 13.183 1.00 4.11 H new ATOM 0 HB2 LEU A 106 3.479 -6.407 12.783 1.00 21.44 H new ATOM 0 HB3 LEU A 106 4.803 -7.187 13.624 1.00 21.44 H new ATOM 0 HG LEU A 106 3.327 -6.234 15.210 1.00 3.32 H new ATOM 0 HD11 LEU A 106 4.796 -4.691 16.485 1.00 21.12 H new ATOM 0 HD12 LEU A 106 5.674 -6.101 15.846 1.00 21.12 H new ATOM 0 HD13 LEU A 106 5.830 -4.518 15.047 1.00 21.12 H new ATOM 0 HD21 LEU A 106 2.875 -3.783 15.350 1.00 34.34 H new ATOM 0 HD22 LEU A 106 3.756 -3.556 13.821 1.00 34.34 H new ATOM 0 HD23 LEU A 106 2.250 -4.504 13.848 1.00 34.34 H new ATOM 1494 N GLN A 107 6.241 -6.772 10.656 1.00 52.35 N ATOM 1495 CA GLN A 107 7.129 -7.643 9.906 1.00 11.13 C ATOM 1496 C GLN A 107 8.178 -6.882 9.086 1.00 70.02 C ATOM 1497 O GLN A 107 9.063 -7.513 8.504 1.00 42.13 O ATOM 1498 CB GLN A 107 6.267 -8.550 9.030 1.00 64.33 C ATOM 1499 CG GLN A 107 5.341 -9.449 9.875 1.00 1.32 C ATOM 1500 CD GLN A 107 5.609 -10.916 9.594 1.00 73.43 C ATOM 1501 OE1 GLN A 107 4.903 -11.564 8.816 1.00 64.05 O ATOM 1502 NE2 GLN A 107 6.644 -11.446 10.219 1.00 65.03 N ATOM 0 H GLN A 107 5.420 -6.494 10.119 1.00 52.35 H new ATOM 0 HA GLN A 107 7.712 -8.239 10.608 1.00 11.13 H new ATOM 0 HB2 GLN A 107 5.666 -7.940 8.356 1.00 64.33 H new ATOM 0 HB3 GLN A 107 6.910 -9.173 8.408 1.00 64.33 H new ATOM 0 HG2 GLN A 107 5.495 -9.243 10.934 1.00 1.32 H new ATOM 0 HG3 GLN A 107 4.300 -9.216 9.653 1.00 1.32 H new ATOM 0 HE21 GLN A 107 7.203 -10.876 10.854 1.00 65.03 H new ATOM 0 HE22 GLN A 107 6.885 -12.425 10.066 1.00 65.03 H new ATOM 1511 N THR A 108 8.118 -5.550 9.028 1.00 74.03 N ATOM 1512 CA THR A 108 9.085 -4.748 8.283 1.00 71.04 C ATOM 1513 C THR A 108 10.076 -4.087 9.226 1.00 43.33 C ATOM 1514 O THR A 108 11.285 -4.267 9.082 1.00 34.41 O ATOM 1515 CB THR A 108 8.411 -3.711 7.365 1.00 43.31 C ATOM 1516 OG1 THR A 108 7.800 -2.632 8.057 1.00 25.13 O ATOM 1517 CG2 THR A 108 7.348 -4.361 6.488 1.00 12.54 C ATOM 0 H THR A 108 7.398 -5.000 9.496 1.00 74.03 H new ATOM 0 HA THR A 108 9.631 -5.430 7.631 1.00 71.04 H new ATOM 0 HB THR A 108 9.227 -3.309 6.765 1.00 43.31 H new ATOM 0 HG1 THR A 108 7.308 -2.977 8.831 1.00 25.13 H new ATOM 0 HG21 THR A 108 6.890 -3.605 5.851 1.00 12.54 H new ATOM 0 HG22 THR A 108 7.809 -5.128 5.866 1.00 12.54 H new ATOM 0 HG23 THR A 108 6.584 -4.816 7.119 1.00 12.54 H new ATOM 1525 N THR A 109 9.566 -3.335 10.197 1.00 12.44 N ATOM 1526 CA THR A 109 10.363 -2.596 11.162 1.00 14.44 C ATOM 1527 C THR A 109 10.019 -2.919 12.612 1.00 64.32 C ATOM 1528 O THR A 109 10.763 -2.502 13.503 1.00 31.33 O ATOM 1529 CB THR A 109 10.199 -1.097 10.849 1.00 73.32 C ATOM 1530 OG1 THR A 109 8.833 -0.764 10.620 1.00 25.01 O ATOM 1531 CG2 THR A 109 10.988 -0.704 9.598 1.00 34.03 C ATOM 0 H THR A 109 8.562 -3.222 10.335 1.00 12.44 H new ATOM 0 HA THR A 109 11.406 -2.896 11.063 1.00 14.44 H new ATOM 0 HB THR A 109 10.576 -0.556 11.717 1.00 73.32 H new ATOM 0 HG1 THR A 109 8.758 0.194 10.425 1.00 25.01 H new ATOM 0 HG21 THR A 109 10.853 0.360 9.402 1.00 34.03 H new ATOM 0 HG22 THR A 109 12.046 -0.913 9.755 1.00 34.03 H new ATOM 0 HG23 THR A 109 10.627 -1.279 8.745 1.00 34.03 H new ATOM 1539 N GLY A 110 8.934 -3.652 12.875 1.00 62.12 N ATOM 1540 CA GLY A 110 8.547 -3.980 14.239 1.00 25.43 C ATOM 1541 C GLY A 110 7.863 -2.811 14.943 1.00 23.14 C ATOM 1542 O GLY A 110 7.675 -2.876 16.156 1.00 23.34 O ATOM 0 H GLY A 110 8.312 -4.027 12.159 1.00 62.12 H new ATOM 0 HA2 GLY A 110 7.875 -4.838 14.227 1.00 25.43 H new ATOM 0 HA3 GLY A 110 9.431 -4.275 14.804 1.00 25.43 H new ATOM 1546 N VAL A 111 7.477 -1.759 14.216 1.00 12.42 N ATOM 1547 CA VAL A 111 6.819 -0.577 14.762 1.00 63.44 C ATOM 1548 C VAL A 111 5.549 -0.353 13.954 1.00 11.44 C ATOM 1549 O VAL A 111 5.552 -0.549 12.741 1.00 33.42 O ATOM 1550 CB VAL A 111 7.735 0.671 14.701 1.00 54.32 C ATOM 1551 CG1 VAL A 111 7.369 1.651 15.823 1.00 44.00 C ATOM 1552 CG2 VAL A 111 9.230 0.353 14.810 1.00 74.34 C ATOM 0 H VAL A 111 7.619 -1.708 13.207 1.00 12.42 H new ATOM 0 HA VAL A 111 6.587 -0.736 15.815 1.00 63.44 H new ATOM 0 HB VAL A 111 7.565 1.108 13.717 1.00 54.32 H new ATOM 0 HG11 VAL A 111 8.019 2.524 15.770 1.00 44.00 H new ATOM 0 HG12 VAL A 111 6.331 1.964 15.708 1.00 44.00 H new ATOM 0 HG13 VAL A 111 7.496 1.162 16.789 1.00 44.00 H new ATOM 0 HG21 VAL A 111 9.804 1.279 14.759 1.00 74.34 H new ATOM 0 HG22 VAL A 111 9.428 -0.145 15.759 1.00 74.34 H new ATOM 0 HG23 VAL A 111 9.524 -0.301 13.989 1.00 74.34 H new ATOM 1562 N VAL A 112 4.475 0.063 14.616 1.00 3.23 N ATOM 1563 CA VAL A 112 3.175 0.345 14.025 1.00 71.53 C ATOM 1564 C VAL A 112 2.860 1.783 14.431 1.00 24.42 C ATOM 1565 O VAL A 112 2.955 2.121 15.613 1.00 60.54 O ATOM 1566 CB VAL A 112 2.151 -0.733 14.456 1.00 4.52 C ATOM 1567 CG1 VAL A 112 2.039 -0.965 15.970 1.00 64.34 C ATOM 1568 CG2 VAL A 112 0.751 -0.466 13.904 1.00 31.42 C ATOM 0 H VAL A 112 4.489 0.219 15.624 1.00 3.23 H new ATOM 0 HA VAL A 112 3.146 0.286 12.937 1.00 71.53 H new ATOM 0 HB VAL A 112 2.564 -1.642 14.019 1.00 4.52 H new ATOM 0 HG11 VAL A 112 1.296 -1.738 16.166 1.00 64.34 H new ATOM 0 HG12 VAL A 112 3.005 -1.283 16.362 1.00 64.34 H new ATOM 0 HG13 VAL A 112 1.736 -0.039 16.459 1.00 64.34 H new ATOM 0 HG21 VAL A 112 0.073 -1.252 14.237 1.00 31.42 H new ATOM 0 HG22 VAL A 112 0.395 0.498 14.267 1.00 31.42 H new ATOM 0 HG23 VAL A 112 0.786 -0.454 12.815 1.00 31.42 H new ATOM 1578 N ASN A 113 2.559 2.658 13.467 1.00 72.10 N ATOM 1579 CA ASN A 113 2.256 4.065 13.723 1.00 31.53 C ATOM 1580 C ASN A 113 0.938 4.438 13.075 1.00 24.33 C ATOM 1581 O ASN A 113 0.849 4.493 11.847 1.00 61.10 O ATOM 1582 CB ASN A 113 3.393 4.977 13.248 1.00 53.42 C ATOM 1583 CG ASN A 113 4.326 5.284 14.403 1.00 10.30 C ATOM 1584 OD1 ASN A 113 4.085 6.222 15.158 1.00 1.44 O ATOM 1585 ND2 ASN A 113 5.385 4.517 14.573 1.00 73.32 N ATOM 0 H ASN A 113 2.519 2.405 12.480 1.00 72.10 H new ATOM 0 HA ASN A 113 2.163 4.208 14.800 1.00 31.53 H new ATOM 0 HB2 ASN A 113 3.945 4.494 12.442 1.00 53.42 H new ATOM 0 HB3 ASN A 113 2.983 5.903 12.844 1.00 53.42 H new ATOM 0 HD21 ASN A 113 6.026 4.697 15.346 1.00 73.32 H new ATOM 0 HD22 ASN A 113 5.563 3.744 13.932 1.00 73.32 H new ATOM 1592 N GLN A 114 -0.061 4.732 13.905 1.00 72.01 N ATOM 1593 CA GLN A 114 -1.401 5.092 13.479 1.00 20.25 C ATOM 1594 C GLN A 114 -1.439 6.140 12.361 1.00 74.01 C ATOM 1595 O GLN A 114 -1.990 5.799 11.315 1.00 21.23 O ATOM 1596 CB GLN A 114 -2.279 5.487 14.679 1.00 54.41 C ATOM 1597 CG GLN A 114 -3.719 5.805 14.240 1.00 74.01 C ATOM 1598 CD GLN A 114 -4.634 6.146 15.410 1.00 75.20 C ATOM 1599 OE1 GLN A 114 -4.445 7.143 16.097 1.00 34.53 O ATOM 1600 NE2 GLN A 114 -5.689 5.380 15.619 1.00 34.22 N ATOM 0 H GLN A 114 0.048 4.725 14.919 1.00 72.01 H new ATOM 0 HA GLN A 114 -1.826 4.193 13.032 1.00 20.25 H new ATOM 0 HB2 GLN A 114 -2.290 4.676 15.407 1.00 54.41 H new ATOM 0 HB3 GLN A 114 -1.848 6.356 15.177 1.00 54.41 H new ATOM 0 HG2 GLN A 114 -3.704 6.641 13.541 1.00 74.01 H new ATOM 0 HG3 GLN A 114 -4.127 4.949 13.703 1.00 74.01 H new ATOM 0 HE21 GLN A 114 -5.840 4.552 15.043 1.00 34.22 H new ATOM 0 HE22 GLN A 114 -6.353 5.617 16.356 1.00 34.22 H new ATOM 1609 N PRO A 115 -0.900 7.369 12.500 1.00 71.24 N ATOM 1610 CA PRO A 115 -0.983 8.358 11.431 1.00 34.15 C ATOM 1611 C PRO A 115 -0.165 7.999 10.195 1.00 41.01 C ATOM 1612 O PRO A 115 -0.524 8.434 9.097 1.00 12.43 O ATOM 1613 CB PRO A 115 -0.514 9.678 12.041 1.00 74.53 C ATOM 1614 CG PRO A 115 0.416 9.240 13.169 1.00 74.33 C ATOM 1615 CD PRO A 115 -0.208 7.932 13.651 1.00 42.23 C ATOM 0 HA PRO A 115 -2.008 8.414 11.065 1.00 34.15 H new ATOM 0 HB2 PRO A 115 0.006 10.296 11.309 1.00 74.53 H new ATOM 0 HB3 PRO A 115 -1.351 10.266 12.417 1.00 74.53 H new ATOM 0 HG2 PRO A 115 1.436 9.092 12.815 1.00 74.33 H new ATOM 0 HG3 PRO A 115 0.459 9.983 13.966 1.00 74.33 H new ATOM 0 HD2 PRO A 115 0.556 7.248 14.020 1.00 42.23 H new ATOM 0 HD3 PRO A 115 -0.900 8.110 14.474 1.00 42.23 H new ATOM 1623 N PHE A 116 0.926 7.243 10.340 1.00 43.11 N ATOM 1624 CA PHE A 116 1.745 6.866 9.197 1.00 22.23 C ATOM 1625 C PHE A 116 0.962 5.915 8.298 1.00 42.14 C ATOM 1626 O PHE A 116 0.951 6.067 7.082 1.00 73.13 O ATOM 1627 CB PHE A 116 3.073 6.257 9.655 1.00 20.00 C ATOM 1628 CG PHE A 116 4.094 6.124 8.540 1.00 53.15 C ATOM 1629 CD1 PHE A 116 4.646 4.869 8.221 1.00 41.52 C ATOM 1630 CD2 PHE A 116 4.516 7.269 7.835 1.00 55.41 C ATOM 1631 CE1 PHE A 116 5.666 4.783 7.252 1.00 61.41 C ATOM 1632 CE2 PHE A 116 5.506 7.173 6.843 1.00 32.42 C ATOM 1633 CZ PHE A 116 6.093 5.929 6.561 1.00 13.22 C ATOM 0 H PHE A 116 1.257 6.884 11.235 1.00 43.11 H new ATOM 0 HA PHE A 116 1.989 7.757 8.619 1.00 22.23 H new ATOM 0 HB2 PHE A 116 3.492 6.875 10.449 1.00 20.00 H new ATOM 0 HB3 PHE A 116 2.884 5.273 10.083 1.00 20.00 H new ATOM 0 HD1 PHE A 116 4.290 3.977 8.716 1.00 41.52 H new ATOM 0 HD2 PHE A 116 4.074 8.229 8.059 1.00 55.41 H new ATOM 0 HE1 PHE A 116 6.123 3.828 7.039 1.00 61.41 H new ATOM 0 HE2 PHE A 116 5.815 8.053 6.299 1.00 32.42 H new ATOM 0 HZ PHE A 116 6.870 5.854 5.815 1.00 13.22 H new ATOM 1643 N ILE A 117 0.275 4.952 8.904 1.00 22.53 N ATOM 1644 CA ILE A 117 -0.533 3.966 8.206 1.00 62.30 C ATOM 1645 C ILE A 117 -1.843 4.606 7.724 1.00 13.24 C ATOM 1646 O ILE A 117 -2.278 4.372 6.597 1.00 14.11 O ATOM 1647 CB ILE A 117 -0.763 2.781 9.167 1.00 63.53 C ATOM 1648 CG1 ILE A 117 0.575 2.102 9.550 1.00 53.35 C ATOM 1649 CG2 ILE A 117 -1.680 1.746 8.508 1.00 52.11 C ATOM 1650 CD1 ILE A 117 0.459 1.310 10.851 1.00 55.22 C ATOM 0 H ILE A 117 0.266 4.835 9.917 1.00 22.53 H new ATOM 0 HA ILE A 117 -0.028 3.596 7.313 1.00 62.30 H new ATOM 0 HB ILE A 117 -1.229 3.170 10.072 1.00 63.53 H new ATOM 0 HG12 ILE A 117 0.887 1.436 8.746 1.00 53.35 H new ATOM 0 HG13 ILE A 117 1.350 2.861 9.655 1.00 53.35 H new ATOM 0 HG21 ILE A 117 -1.838 0.912 9.192 1.00 52.11 H new ATOM 0 HG22 ILE A 117 -2.639 2.208 8.271 1.00 52.11 H new ATOM 0 HG23 ILE A 117 -1.217 1.381 7.591 1.00 52.11 H new ATOM 0 HD11 ILE A 117 1.419 0.850 11.084 1.00 55.22 H new ATOM 0 HD12 ILE A 117 0.172 1.981 11.661 1.00 55.22 H new ATOM 0 HD13 ILE A 117 -0.298 0.534 10.738 1.00 55.22 H new ATOM 1662 N ASN A 118 -2.468 5.439 8.564 1.00 60.04 N ATOM 1663 CA ASN A 118 -3.730 6.113 8.270 1.00 20.23 C ATOM 1664 C ASN A 118 -3.661 6.926 6.985 1.00 22.40 C ATOM 1665 O ASN A 118 -4.628 6.959 6.232 1.00 12.23 O ATOM 1666 CB ASN A 118 -4.143 7.028 9.432 1.00 42.21 C ATOM 1667 CG ASN A 118 -5.536 7.602 9.232 1.00 72.32 C ATOM 1668 OD1 ASN A 118 -5.728 8.631 8.588 1.00 15.02 O ATOM 1669 ND2 ASN A 118 -6.543 6.962 9.797 1.00 45.25 N ATOM 0 H ASN A 118 -2.099 5.666 9.487 1.00 60.04 H new ATOM 0 HA ASN A 118 -4.478 5.332 8.137 1.00 20.23 H new ATOM 0 HB2 ASN A 118 -4.112 6.466 10.365 1.00 42.21 H new ATOM 0 HB3 ASN A 118 -3.425 7.842 9.526 1.00 42.21 H new ATOM 0 HD21 ASN A 118 -7.493 7.321 9.701 1.00 45.25 H new ATOM 0 HD22 ASN A 118 -6.371 6.109 10.329 1.00 45.25 H new ATOM 1676 N GLU A 119 -2.532 7.575 6.704 1.00 65.22 N ATOM 1677 CA GLU A 119 -2.419 8.374 5.493 1.00 2.32 C ATOM 1678 C GLU A 119 -2.504 7.527 4.224 1.00 0.15 C ATOM 1679 O GLU A 119 -2.959 8.027 3.193 1.00 3.55 O ATOM 1680 CB GLU A 119 -1.153 9.218 5.539 1.00 53.53 C ATOM 1681 CG GLU A 119 0.080 8.566 4.915 1.00 10.04 C ATOM 1682 CD GLU A 119 1.327 9.438 5.128 1.00 44.24 C ATOM 1683 OE1 GLU A 119 1.295 10.383 5.952 1.00 42.23 O ATOM 1684 OE2 GLU A 119 2.315 9.286 4.376 1.00 14.14 O ATOM 0 H GLU A 119 -1.697 7.562 7.290 1.00 65.22 H new ATOM 0 HA GLU A 119 -3.275 9.047 5.454 1.00 2.32 H new ATOM 0 HB2 GLU A 119 -1.344 10.162 5.028 1.00 53.53 H new ATOM 0 HB3 GLU A 119 -0.932 9.458 6.579 1.00 53.53 H new ATOM 0 HG2 GLU A 119 0.239 7.582 5.357 1.00 10.04 H new ATOM 0 HG3 GLU A 119 -0.085 8.414 3.848 1.00 10.04 H new ATOM 1691 N ILE A 120 -2.054 6.271 4.286 1.00 22.41 N ATOM 1692 CA ILE A 120 -2.105 5.363 3.153 1.00 32.13 C ATOM 1693 C ILE A 120 -3.575 5.091 2.908 1.00 22.45 C ATOM 1694 O ILE A 120 -4.021 5.138 1.765 1.00 41.21 O ATOM 1695 CB ILE A 120 -1.323 4.058 3.435 1.00 54.43 C ATOM 1696 CG1 ILE A 120 0.148 4.339 3.793 1.00 74.31 C ATOM 1697 CG2 ILE A 120 -1.416 3.072 2.256 1.00 45.43 C ATOM 1698 CD1 ILE A 120 0.921 5.061 2.688 1.00 60.30 C ATOM 0 H ILE A 120 -1.645 5.862 5.126 1.00 22.41 H new ATOM 0 HA ILE A 120 -1.633 5.800 2.273 1.00 32.13 H new ATOM 0 HB ILE A 120 -1.794 3.592 4.300 1.00 54.43 H new ATOM 0 HG12 ILE A 120 0.183 4.940 4.702 1.00 74.31 H new ATOM 0 HG13 ILE A 120 0.646 3.395 4.016 1.00 74.31 H new ATOM 0 HG21 ILE A 120 -0.854 2.168 2.492 1.00 45.43 H new ATOM 0 HG22 ILE A 120 -2.460 2.814 2.079 1.00 45.43 H new ATOM 0 HG23 ILE A 120 -0.999 3.534 1.361 1.00 45.43 H new ATOM 0 HD11 ILE A 120 1.949 5.225 3.011 1.00 60.30 H new ATOM 0 HD12 ILE A 120 0.917 4.452 1.784 1.00 60.30 H new ATOM 0 HD13 ILE A 120 0.448 6.021 2.481 1.00 60.30 H new ATOM 1710 N THR A 121 -4.327 4.812 3.975 1.00 1.31 N ATOM 1711 CA THR A 121 -5.751 4.547 3.804 1.00 10.31 C ATOM 1712 C THR A 121 -6.473 5.793 3.309 1.00 53.34 C ATOM 1713 O THR A 121 -7.398 5.652 2.506 1.00 41.50 O ATOM 1714 CB THR A 121 -6.398 3.892 5.027 1.00 3.55 C ATOM 1715 OG1 THR A 121 -5.985 4.431 6.267 1.00 4.03 O ATOM 1716 CG2 THR A 121 -6.018 2.418 5.026 1.00 51.21 C ATOM 0 H THR A 121 -3.986 4.765 4.935 1.00 1.31 H new ATOM 0 HA THR A 121 -5.856 3.792 3.024 1.00 10.31 H new ATOM 0 HB THR A 121 -7.470 4.069 4.941 1.00 3.55 H new ATOM 0 HG1 THR A 121 -5.536 5.289 6.117 1.00 4.03 H new ATOM 0 HG21 THR A 121 -6.467 1.926 5.889 1.00 51.21 H new ATOM 0 HG22 THR A 121 -6.381 1.949 4.111 1.00 51.21 H new ATOM 0 HG23 THR A 121 -4.933 2.322 5.077 1.00 51.21 H new ATOM 1724 N GLN A 122 -6.025 6.986 3.721 1.00 52.53 N ATOM 1725 CA GLN A 122 -6.620 8.236 3.271 1.00 72.42 C ATOM 1726 C GLN A 122 -6.476 8.302 1.754 1.00 41.23 C ATOM 1727 O GLN A 122 -7.453 8.637 1.098 1.00 24.34 O ATOM 1728 CB GLN A 122 -5.990 9.486 3.891 1.00 3.41 C ATOM 1729 CG GLN A 122 -6.423 9.776 5.325 1.00 14.24 C ATOM 1730 CD GLN A 122 -5.779 11.071 5.815 1.00 44.32 C ATOM 1731 OE1 GLN A 122 -4.554 11.199 5.850 1.00 31.41 O ATOM 1732 NE2 GLN A 122 -6.560 12.049 6.231 1.00 11.02 N ATOM 0 H GLN A 122 -5.247 7.104 4.370 1.00 52.53 H new ATOM 0 HA GLN A 122 -7.662 8.235 3.591 1.00 72.42 H new ATOM 0 HB2 GLN A 122 -4.906 9.379 3.868 1.00 3.41 H new ATOM 0 HB3 GLN A 122 -6.238 10.347 3.270 1.00 3.41 H new ATOM 0 HG2 GLN A 122 -7.509 9.859 5.376 1.00 14.24 H new ATOM 0 HG3 GLN A 122 -6.135 8.949 5.974 1.00 14.24 H new ATOM 0 HE21 GLN A 122 -7.574 11.940 6.201 1.00 11.02 H new ATOM 0 HE22 GLN A 122 -6.150 12.914 6.583 1.00 11.02 H new ATOM 1741 N LEU A 123 -5.309 7.965 1.183 1.00 24.35 N ATOM 1742 CA LEU A 123 -5.117 7.998 -0.268 1.00 14.32 C ATOM 1743 C LEU A 123 -6.143 7.100 -0.964 1.00 34.44 C ATOM 1744 O LEU A 123 -6.705 7.501 -1.983 1.00 55.31 O ATOM 1745 CB LEU A 123 -3.710 7.538 -0.687 1.00 45.54 C ATOM 1746 CG LEU A 123 -2.525 8.472 -0.393 1.00 13.53 C ATOM 1747 CD1 LEU A 123 -1.239 7.798 -0.890 1.00 5.01 C ATOM 1748 CD2 LEU A 123 -2.674 9.842 -1.066 1.00 3.41 C ATOM 0 H LEU A 123 -4.486 7.667 1.708 1.00 24.35 H new ATOM 0 HA LEU A 123 -5.247 9.037 -0.570 1.00 14.32 H new ATOM 0 HB2 LEU A 123 -3.512 6.584 -0.198 1.00 45.54 H new ATOM 0 HB3 LEU A 123 -3.727 7.349 -1.760 1.00 45.54 H new ATOM 0 HG LEU A 123 -2.491 8.645 0.683 1.00 13.53 H new ATOM 0 HD11 LEU A 123 -0.387 8.447 -0.689 1.00 5.01 H new ATOM 0 HD12 LEU A 123 -1.102 6.849 -0.372 1.00 5.01 H new ATOM 0 HD13 LEU A 123 -1.314 7.618 -1.962 1.00 5.01 H new ATOM 0 HD21 LEU A 123 -1.810 10.461 -0.825 1.00 3.41 H new ATOM 0 HD22 LEU A 123 -2.737 9.712 -2.146 1.00 3.41 H new ATOM 0 HD23 LEU A 123 -3.581 10.328 -0.705 1.00 3.41 H new ATOM 1760 N VAL A 124 -6.397 5.901 -0.426 1.00 23.41 N ATOM 1761 CA VAL A 124 -7.353 4.974 -1.021 1.00 12.41 C ATOM 1762 C VAL A 124 -8.767 5.569 -0.974 1.00 33.22 C ATOM 1763 O VAL A 124 -9.453 5.598 -1.996 1.00 43.33 O ATOM 1764 CB VAL A 124 -7.326 3.588 -0.340 1.00 11.24 C ATOM 1765 CG1 VAL A 124 -8.037 2.547 -1.209 1.00 55.24 C ATOM 1766 CG2 VAL A 124 -5.925 3.016 -0.089 1.00 2.31 C ATOM 0 H VAL A 124 -5.950 5.554 0.423 1.00 23.41 H new ATOM 0 HA VAL A 124 -7.060 4.825 -2.060 1.00 12.41 H new ATOM 0 HB VAL A 124 -7.815 3.764 0.618 1.00 11.24 H new ATOM 0 HG11 VAL A 124 -8.007 1.577 -0.712 1.00 55.24 H new ATOM 0 HG12 VAL A 124 -9.074 2.846 -1.360 1.00 55.24 H new ATOM 0 HG13 VAL A 124 -7.536 2.476 -2.174 1.00 55.24 H new ATOM 0 HG21 VAL A 124 -6.011 2.042 0.392 1.00 2.31 H new ATOM 0 HG22 VAL A 124 -5.401 2.907 -1.039 1.00 2.31 H new ATOM 0 HG23 VAL A 124 -5.366 3.692 0.558 1.00 2.31 H new ATOM 1776 N SER A 125 -9.228 6.029 0.196 1.00 33.51 N ATOM 1777 CA SER A 125 -10.565 6.599 0.339 1.00 64.34 C ATOM 1778 C SER A 125 -10.727 7.861 -0.504 1.00 45.11 C ATOM 1779 O SER A 125 -11.782 8.057 -1.112 1.00 63.15 O ATOM 1780 CB SER A 125 -10.876 6.858 1.817 1.00 32.41 C ATOM 1781 OG SER A 125 -9.807 7.480 2.499 1.00 43.31 O ATOM 0 H SER A 125 -8.687 6.015 1.061 1.00 33.51 H new ATOM 0 HA SER A 125 -11.289 5.876 -0.036 1.00 64.34 H new ATOM 0 HB2 SER A 125 -11.764 7.486 1.892 1.00 32.41 H new ATOM 0 HB3 SER A 125 -11.112 5.912 2.305 1.00 32.41 H new ATOM 0 HG SER A 125 -9.213 7.913 1.851 1.00 43.31 H new ATOM 1787 N MET A 126 -9.683 8.691 -0.540 1.00 2.21 N ATOM 1788 CA MET A 126 -9.607 9.938 -1.275 1.00 31.42 C ATOM 1789 C MET A 126 -9.803 9.658 -2.755 1.00 33.35 C ATOM 1790 O MET A 126 -10.574 10.380 -3.378 1.00 40.33 O ATOM 1791 CB MET A 126 -8.251 10.610 -1.014 1.00 22.51 C ATOM 1792 CG MET A 126 -8.108 11.969 -1.695 1.00 5.54 C ATOM 1793 SD MET A 126 -6.506 12.777 -1.446 1.00 41.33 S ATOM 1794 CE MET A 126 -5.463 11.742 -2.510 1.00 62.31 C ATOM 0 H MET A 126 -8.825 8.493 -0.026 1.00 2.21 H new ATOM 0 HA MET A 126 -10.392 10.617 -0.942 1.00 31.42 H new ATOM 0 HB2 MET A 126 -8.116 10.734 0.060 1.00 22.51 H new ATOM 0 HB3 MET A 126 -7.455 9.952 -1.361 1.00 22.51 H new ATOM 0 HG2 MET A 126 -8.273 11.843 -2.765 1.00 5.54 H new ATOM 0 HG3 MET A 126 -8.893 12.629 -1.327 1.00 5.54 H new ATOM 0 HE1 MET A 126 -4.460 12.165 -2.558 1.00 62.31 H new ATOM 0 HE2 MET A 126 -5.412 10.733 -2.100 1.00 62.31 H new ATOM 0 HE3 MET A 126 -5.890 11.705 -3.512 1.00 62.31 H new ATOM 1804 N PHE A 127 -9.129 8.638 -3.296 1.00 24.21 N ATOM 1805 CA PHE A 127 -9.244 8.279 -4.701 1.00 21.14 C ATOM 1806 C PHE A 127 -10.629 7.706 -4.983 1.00 5.13 C ATOM 1807 O PHE A 127 -11.301 8.152 -5.909 1.00 45.52 O ATOM 1808 CB PHE A 127 -8.131 7.286 -5.076 1.00 11.02 C ATOM 1809 CG PHE A 127 -8.067 6.878 -6.547 1.00 53.43 C ATOM 1810 CD1 PHE A 127 -6.937 7.220 -7.314 1.00 5.34 C ATOM 1811 CD2 PHE A 127 -9.103 6.139 -7.160 1.00 73.14 C ATOM 1812 CE1 PHE A 127 -6.866 6.882 -8.678 1.00 24.35 C ATOM 1813 CE2 PHE A 127 -9.039 5.809 -8.524 1.00 61.13 C ATOM 1814 CZ PHE A 127 -7.925 6.193 -9.287 1.00 72.51 C ATOM 0 H PHE A 127 -8.491 8.043 -2.768 1.00 24.21 H new ATOM 0 HA PHE A 127 -9.123 9.169 -5.318 1.00 21.14 H new ATOM 0 HB2 PHE A 127 -7.172 7.724 -4.799 1.00 11.02 H new ATOM 0 HB3 PHE A 127 -8.257 6.386 -4.475 1.00 11.02 H new ATOM 0 HD1 PHE A 127 -6.116 7.747 -6.851 1.00 5.34 H new ATOM 0 HD2 PHE A 127 -9.954 5.824 -6.574 1.00 73.14 H new ATOM 0 HE1 PHE A 127 -5.995 7.153 -9.256 1.00 24.35 H new ATOM 0 HE2 PHE A 127 -9.847 5.260 -8.985 1.00 61.13 H new ATOM 0 HZ PHE A 127 -7.884 5.958 -10.340 1.00 72.51 H new ATOM 1824 N ALA A 128 -11.058 6.714 -4.199 1.00 43.42 N ATOM 1825 CA ALA A 128 -12.339 6.050 -4.372 1.00 62.21 C ATOM 1826 C ALA A 128 -13.536 6.999 -4.331 1.00 30.31 C ATOM 1827 O ALA A 128 -14.335 7.010 -5.265 1.00 11.32 O ATOM 1828 CB ALA A 128 -12.477 4.950 -3.330 1.00 32.45 C ATOM 0 H ALA A 128 -10.513 6.349 -3.418 1.00 43.42 H new ATOM 0 HA ALA A 128 -12.348 5.622 -5.374 1.00 62.21 H new ATOM 0 HB1 ALA A 128 -13.437 4.448 -3.455 1.00 32.45 H new ATOM 0 HB2 ALA A 128 -11.671 4.227 -3.455 1.00 32.45 H new ATOM 0 HB3 ALA A 128 -12.423 5.385 -2.332 1.00 32.45 H new ATOM 1834 N GLN A 129 -13.719 7.750 -3.245 1.00 12.44 N ATOM 1835 CA GLN A 129 -14.840 8.675 -3.153 1.00 45.41 C ATOM 1836 C GLN A 129 -14.582 9.863 -4.071 1.00 61.50 C ATOM 1837 O GLN A 129 -15.356 10.081 -5.004 1.00 4.42 O ATOM 1838 CB GLN A 129 -15.077 9.134 -1.702 1.00 24.20 C ATOM 1839 CG GLN A 129 -16.141 8.277 -0.998 1.00 65.32 C ATOM 1840 CD GLN A 129 -17.574 8.621 -1.409 1.00 72.22 C ATOM 1841 OE1 GLN A 129 -17.902 9.780 -1.662 1.00 32.13 O ATOM 1842 NE2 GLN A 129 -18.469 7.647 -1.456 1.00 61.31 N ATOM 0 H GLN A 129 -13.111 7.734 -2.426 1.00 12.44 H new ATOM 0 HA GLN A 129 -15.748 8.163 -3.472 1.00 45.41 H new ATOM 0 HB2 GLN A 129 -14.141 9.080 -1.146 1.00 24.20 H new ATOM 0 HB3 GLN A 129 -15.390 10.178 -1.698 1.00 24.20 H new ATOM 0 HG2 GLN A 129 -15.952 7.226 -1.216 1.00 65.32 H new ATOM 0 HG3 GLN A 129 -16.041 8.402 0.080 1.00 65.32 H new ATOM 0 HE21 GLN A 129 -18.191 6.688 -1.245 1.00 61.31 H new ATOM 0 HE22 GLN A 129 -19.437 7.855 -1.703 1.00 61.31 H new ATOM 1851 N ALA A 130 -13.513 10.621 -3.798 1.00 23.23 N ATOM 1852 CA ALA A 130 -13.037 11.835 -4.475 1.00 43.43 C ATOM 1853 C ALA A 130 -13.996 13.024 -4.337 1.00 10.54 C ATOM 1854 O ALA A 130 -13.566 14.181 -4.432 1.00 11.01 O ATOM 1855 CB ALA A 130 -12.656 11.582 -5.928 1.00 54.54 C ATOM 0 H ALA A 130 -12.899 10.376 -3.021 1.00 23.23 H new ATOM 0 HA ALA A 130 -12.125 12.118 -3.949 1.00 43.43 H new ATOM 0 HB1 ALA A 130 -12.311 12.512 -6.381 1.00 54.54 H new ATOM 0 HB2 ALA A 130 -11.859 10.840 -5.971 1.00 54.54 H new ATOM 0 HB3 ALA A 130 -13.525 11.213 -6.473 1.00 54.54 H new ATOM 1861 N GLY A 131 -15.263 12.737 -4.049 1.00 12.12 N ATOM 1862 CA GLY A 131 -16.346 13.663 -3.854 1.00 11.02 C ATOM 1863 C GLY A 131 -16.258 14.353 -2.501 1.00 61.54 C ATOM 1864 O GLY A 131 -15.287 14.202 -1.751 1.00 64.24 O ATOM 0 H GLY A 131 -15.570 11.770 -3.940 1.00 12.12 H new ATOM 0 HA2 GLY A 131 -16.332 14.412 -4.646 1.00 11.02 H new ATOM 0 HA3 GLY A 131 -17.296 13.134 -3.932 1.00 11.02 H new ATOM 1868 N MET A 132 -17.295 15.128 -2.217 1.00 60.12 N ATOM 1869 CA MET A 132 -17.462 15.899 -1.005 1.00 54.31 C ATOM 1870 C MET A 132 -18.386 15.118 -0.067 1.00 13.13 C ATOM 1871 O MET A 132 -17.909 14.317 0.739 1.00 42.43 O ATOM 1872 CB MET A 132 -17.954 17.287 -1.425 1.00 61.34 C ATOM 1873 CG MET A 132 -18.093 18.233 -0.244 1.00 13.55 C ATOM 1874 SD MET A 132 -18.549 19.894 -0.767 1.00 54.31 S ATOM 1875 CE MET A 132 -18.763 20.615 0.864 1.00 75.42 C ATOM 0 H MET A 132 -18.078 15.238 -2.861 1.00 60.12 H new ATOM 0 HA MET A 132 -16.544 16.054 -0.438 1.00 54.31 H new ATOM 0 HB2 MET A 132 -17.259 17.713 -2.148 1.00 61.34 H new ATOM 0 HB3 MET A 132 -18.917 17.192 -1.926 1.00 61.34 H new ATOM 0 HG2 MET A 132 -18.847 17.848 0.443 1.00 13.55 H new ATOM 0 HG3 MET A 132 -17.152 18.270 0.304 1.00 13.55 H new ATOM 0 HE1 MET A 132 -19.052 21.661 0.764 1.00 75.42 H new ATOM 0 HE2 MET A 132 -19.541 20.073 1.402 1.00 75.42 H new ATOM 0 HE3 MET A 132 -17.826 20.549 1.417 1.00 75.42 H new ATOM 1885 N ASN A 133 -19.698 15.337 -0.141 1.00 11.43 N ATOM 1886 CA ASN A 133 -20.711 14.670 0.668 1.00 54.50 C ATOM 1887 C ASN A 133 -22.019 14.669 -0.114 1.00 61.31 C ATOM 1888 O ASN A 133 -22.143 15.363 -1.129 1.00 62.54 O ATOM 1889 CB ASN A 133 -20.910 15.363 2.031 1.00 12.13 C ATOM 1890 CG ASN A 133 -21.645 16.700 1.935 1.00 40.33 C ATOM 1891 OD1 ASN A 133 -22.860 16.770 1.789 1.00 52.33 O ATOM 1892 ND2 ASN A 133 -20.932 17.809 2.016 1.00 34.34 N ATOM 0 H ASN A 133 -20.098 16.012 -0.793 1.00 11.43 H new ATOM 0 HA ASN A 133 -20.382 13.652 0.875 1.00 54.50 H new ATOM 0 HB2 ASN A 133 -21.468 14.697 2.690 1.00 12.13 H new ATOM 0 HB3 ASN A 133 -19.936 15.525 2.492 1.00 12.13 H new ATOM 0 HD21 ASN A 133 -21.393 18.717 1.957 1.00 34.34 H new ATOM 0 HD22 ASN A 133 -19.921 17.757 2.138 1.00 34.34 H new ATOM 1899 N ASP A 134 -22.994 13.925 0.388 1.00 21.04 N ATOM 1900 CA ASP A 134 -24.330 13.761 -0.162 1.00 14.44 C ATOM 1901 C ASP A 134 -25.355 13.859 0.980 1.00 54.10 C ATOM 1902 O ASP A 134 -24.967 13.975 2.149 1.00 11.32 O ATOM 1903 CB ASP A 134 -24.371 12.422 -0.908 1.00 20.24 C ATOM 1904 CG ASP A 134 -25.709 12.167 -1.591 1.00 50.33 C ATOM 1905 OD1 ASP A 134 -26.156 10.997 -1.552 1.00 20.20 O ATOM 1906 OD2 ASP A 134 -26.284 13.143 -2.124 1.00 44.42 O ATOM 0 H ASP A 134 -22.864 13.386 1.244 1.00 21.04 H new ATOM 0 HA ASP A 134 -24.584 14.545 -0.876 1.00 14.44 H new ATOM 0 HB2 ASP A 134 -23.578 12.403 -1.655 1.00 20.24 H new ATOM 0 HB3 ASP A 134 -24.167 11.614 -0.206 1.00 20.24 H new ATOM 1911 N VAL A 135 -26.654 13.873 0.667 1.00 20.42 N ATOM 1912 CA VAL A 135 -27.745 13.969 1.638 1.00 62.14 C ATOM 1913 C VAL A 135 -28.876 13.004 1.272 1.00 12.10 C ATOM 1914 O VAL A 135 -28.910 12.469 0.163 1.00 20.03 O ATOM 1915 CB VAL A 135 -28.258 15.423 1.742 1.00 34.34 C ATOM 1916 CG1 VAL A 135 -27.205 16.344 2.374 1.00 41.42 C ATOM 1917 CG2 VAL A 135 -28.721 16.002 0.393 1.00 65.54 C ATOM 0 H VAL A 135 -26.984 13.816 -0.297 1.00 20.42 H new ATOM 0 HA VAL A 135 -27.363 13.682 2.618 1.00 62.14 H new ATOM 0 HB VAL A 135 -29.133 15.380 2.391 1.00 34.34 H new ATOM 0 HG11 VAL A 135 -27.598 17.359 2.432 1.00 41.42 H new ATOM 0 HG12 VAL A 135 -26.966 15.989 3.376 1.00 41.42 H new ATOM 0 HG13 VAL A 135 -26.303 16.339 1.762 1.00 41.42 H new ATOM 0 HG21 VAL A 135 -29.069 17.025 0.536 1.00 65.54 H new ATOM 0 HG22 VAL A 135 -27.888 15.997 -0.310 1.00 65.54 H new ATOM 0 HG23 VAL A 135 -29.534 15.394 -0.004 1.00 65.54 H new ATOM 1927 N SER A 136 -29.779 12.746 2.217 1.00 23.53 N ATOM 1928 CA SER A 136 -30.918 11.865 2.014 1.00 64.33 C ATOM 1929 C SER A 136 -32.069 12.637 1.365 1.00 61.35 C ATOM 1930 O SER A 136 -31.988 13.825 1.048 1.00 40.33 O ATOM 1931 CB SER A 136 -31.374 11.287 3.373 1.00 72.02 C ATOM 1932 OG SER A 136 -32.040 10.031 3.256 1.00 31.24 O ATOM 0 H SER A 136 -29.736 13.149 3.153 1.00 23.53 H new ATOM 0 HA SER A 136 -30.625 11.048 1.354 1.00 64.33 H new ATOM 0 HB2 SER A 136 -30.505 11.171 4.021 1.00 72.02 H new ATOM 0 HB3 SER A 136 -32.040 12.000 3.858 1.00 72.02 H new ATOM 0 HG SER A 136 -32.302 9.716 4.146 1.00 31.24 H new ATOM 1938 N ALA A 137 -33.125 11.869 1.178 1.00 73.53 N ATOM 1939 CA ALA A 137 -34.456 12.073 0.673 1.00 73.44 C ATOM 1940 C ALA A 137 -35.297 11.156 1.578 1.00 33.11 C ATOM 1941 O ALA A 137 -36.534 11.240 1.471 1.00 63.52 O ATOM 1942 CB ALA A 137 -34.551 11.670 -0.802 1.00 74.53 C ATOM 0 H ALA A 137 -33.033 10.886 1.435 1.00 73.53 H new ATOM 0 HA ALA A 137 -34.785 13.112 0.697 1.00 73.44 H new ATOM 0 HB1 ALA A 137 -35.568 11.834 -1.159 1.00 74.53 H new ATOM 0 HB2 ALA A 137 -33.858 12.273 -1.389 1.00 74.53 H new ATOM 0 HB3 ALA A 137 -34.295 10.616 -0.908 1.00 74.53 H new TER 1948 ALA A 137