USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 824 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 56 CYS SG : rot 67:sc= -0.585 USER MOD Set 1.2: A 80 SER OG : rot 94:sc= -0.161 USER MOD Set 2.1: A 45 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.12) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.407 USER MOD Set 2.3: A 93 ASN : amide:sc= -0.365 K(o=-1.4,f=0.73) USER MOD Set 3.1: A 28 HIS : no HE2:sc= -0.582 K(o=-1.1,f=-5.9!) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= -0.517 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0292 (180deg=-0.271) USER MOD Single : A 11 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-5.1!) USER MOD Single : A 13 ASN : amide:sc= -1.1 K(o=-1.1,f=-6.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.39! K(o=-1.4!,f=-3.2) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= -0.224 (180deg=-0.26) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -148:sc= -2.59 (180deg=-6.46!) USER MOD Single : A 50 THR OG1 : rot -33:sc= 1.07 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 27:sc= 0.11 USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 0.583 (180deg=0.583) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0078 K(o=-0.0078,f=-0.76) USER MOD Single : A 75 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.069) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0369 K(o=-0.037,f=-0.54) USER MOD Single : A 95 ASN : amide:sc= -4.16! C(o=-4.2!,f=-3.9!) USER MOD Single : A 97 SER OG : rot 116:sc= -0.704 USER MOD Single : A 102 LYS NZ :NH3+ 145:sc= 0.96 (180deg=0.584) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.857 -12.857 -1.178 1.00 0.00 N ATOM 2 CA GLY A 1 24.047 -11.662 -1.325 1.00 0.00 C ATOM 3 C GLY A 1 22.969 -11.558 -0.264 1.00 0.00 C ATOM 4 O GLY A 1 21.860 -12.061 -0.445 1.00 0.00 O ATOM 0 H1 GLY A 1 25.579 -12.881 -1.926 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.323 -12.848 -0.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.251 -13.699 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.689 -10.783 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.583 -11.660 -2.311 1.00 0.00 H new ATOM 8 N SER A 2 23.295 -10.906 0.847 1.00 0.00 N ATOM 9 CA SER A 2 22.348 -10.743 1.944 1.00 0.00 C ATOM 10 C SER A 2 21.342 -9.639 1.633 1.00 0.00 C ATOM 11 O SER A 2 21.652 -8.684 0.920 1.00 0.00 O ATOM 12 CB SER A 2 23.090 -10.422 3.243 1.00 0.00 C ATOM 13 OG SER A 2 23.711 -11.579 3.775 1.00 0.00 O ATOM 0 H SER A 2 24.208 -10.482 1.012 1.00 0.00 H new ATOM 0 HA SER A 2 21.806 -11.681 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.842 -9.655 3.056 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.392 -10.012 3.973 1.00 0.00 H new ATOM 0 HG SER A 2 24.180 -11.347 4.604 1.00 0.00 H new ATOM 19 N SER A 3 20.135 -9.777 2.173 1.00 0.00 N ATOM 20 CA SER A 3 19.081 -8.795 1.951 1.00 0.00 C ATOM 21 C SER A 3 19.369 -7.507 2.717 1.00 0.00 C ATOM 22 O SER A 3 19.208 -7.446 3.935 1.00 0.00 O ATOM 23 CB SER A 3 17.727 -9.363 2.378 1.00 0.00 C ATOM 24 OG SER A 3 17.120 -10.085 1.321 1.00 0.00 O ATOM 0 H SER A 3 19.863 -10.560 2.768 1.00 0.00 H new ATOM 0 HA SER A 3 19.051 -8.566 0.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.859 -10.017 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.071 -8.551 2.691 1.00 0.00 H new ATOM 0 HG SER A 3 16.257 -10.439 1.620 1.00 0.00 H new ATOM 30 N GLY A 4 19.797 -6.478 1.991 1.00 0.00 N ATOM 31 CA GLY A 4 20.101 -5.204 2.618 1.00 0.00 C ATOM 32 C GLY A 4 18.989 -4.727 3.530 1.00 0.00 C ATOM 33 O GLY A 4 18.910 -5.134 4.689 1.00 0.00 O ATOM 0 H GLY A 4 19.939 -6.504 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.023 -5.296 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.279 -4.456 1.846 1.00 0.00 H new ATOM 37 N SER A 5 18.129 -3.859 3.008 1.00 0.00 N ATOM 38 CA SER A 5 17.019 -3.320 3.785 1.00 0.00 C ATOM 39 C SER A 5 16.088 -4.437 4.248 1.00 0.00 C ATOM 40 O SER A 5 15.102 -4.754 3.583 1.00 0.00 O ATOM 41 CB SER A 5 16.236 -2.299 2.957 1.00 0.00 C ATOM 42 OG SER A 5 14.981 -2.015 3.550 1.00 0.00 O ATOM 0 H SER A 5 18.179 -3.514 2.050 1.00 0.00 H new ATOM 0 HA SER A 5 17.430 -2.824 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.815 -1.380 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.086 -2.683 1.948 1.00 0.00 H new ATOM 0 HG SER A 5 14.501 -1.359 3.002 1.00 0.00 H new ATOM 48 N SER A 6 16.409 -5.029 5.394 1.00 0.00 N ATOM 49 CA SER A 6 15.605 -6.113 5.946 1.00 0.00 C ATOM 50 C SER A 6 14.141 -5.699 6.062 1.00 0.00 C ATOM 51 O SER A 6 13.275 -6.239 5.377 1.00 0.00 O ATOM 52 CB SER A 6 16.141 -6.526 7.318 1.00 0.00 C ATOM 53 OG SER A 6 17.206 -7.451 7.193 1.00 0.00 O ATOM 0 H SER A 6 17.220 -4.776 5.958 1.00 0.00 H new ATOM 0 HA SER A 6 15.671 -6.963 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.483 -5.644 7.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.338 -6.969 7.907 1.00 0.00 H new ATOM 0 HG SER A 6 17.532 -7.697 8.084 1.00 0.00 H new ATOM 59 N GLY A 7 13.873 -4.734 6.937 1.00 0.00 N ATOM 60 CA GLY A 7 12.514 -4.262 7.129 1.00 0.00 C ATOM 61 C GLY A 7 11.525 -5.398 7.297 1.00 0.00 C ATOM 62 O GLY A 7 11.889 -6.519 7.654 1.00 0.00 O ATOM 0 H GLY A 7 14.573 -4.271 7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.477 -3.619 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.220 -3.652 6.275 1.00 0.00 H new ATOM 66 N PRO A 8 10.240 -5.113 7.039 1.00 0.00 N ATOM 67 CA PRO A 8 9.169 -6.106 7.158 1.00 0.00 C ATOM 68 C PRO A 8 9.250 -7.178 6.077 1.00 0.00 C ATOM 69 O PRO A 8 10.267 -7.314 5.397 1.00 0.00 O ATOM 70 CB PRO A 8 7.894 -5.275 6.993 1.00 0.00 C ATOM 71 CG PRO A 8 8.317 -4.087 6.199 1.00 0.00 C ATOM 72 CD PRO A 8 9.735 -3.798 6.610 1.00 0.00 C ATOM 0 HA PRO A 8 9.220 -6.649 8.101 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.117 -5.840 6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.486 -4.980 7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.254 -4.290 5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.671 -3.233 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.319 -3.394 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.778 -3.068 7.418 1.00 0.00 H new ATOM 80 N LYS A 9 8.171 -7.939 5.923 1.00 0.00 N ATOM 81 CA LYS A 9 8.118 -8.999 4.923 1.00 0.00 C ATOM 82 C LYS A 9 7.006 -8.738 3.912 1.00 0.00 C ATOM 83 O LYS A 9 7.131 -9.082 2.736 1.00 0.00 O ATOM 84 CB LYS A 9 7.900 -10.355 5.599 1.00 0.00 C ATOM 85 CG LYS A 9 9.179 -10.990 6.115 1.00 0.00 C ATOM 86 CD LYS A 9 9.494 -10.538 7.532 1.00 0.00 C ATOM 87 CE LYS A 9 10.417 -11.520 8.238 1.00 0.00 C ATOM 88 NZ LYS A 9 9.732 -12.809 8.535 1.00 0.00 N ATOM 0 H LYS A 9 7.321 -7.841 6.478 1.00 0.00 H new ATOM 0 HA LYS A 9 9.070 -9.013 4.393 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.206 -10.230 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.428 -11.034 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.083 -12.075 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.007 -10.729 5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.960 -9.553 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.568 -10.437 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.292 -11.708 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.776 -11.077 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.246 -13.310 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.758 -12.621 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.714 -13.398 7.678 1.00 0.00 H new ATOM 102 N ILE A 10 5.921 -8.128 4.377 1.00 0.00 N ATOM 103 CA ILE A 10 4.790 -7.819 3.512 1.00 0.00 C ATOM 104 C ILE A 10 4.976 -6.472 2.823 1.00 0.00 C ATOM 105 O ILE A 10 5.375 -5.491 3.451 1.00 0.00 O ATOM 106 CB ILE A 10 3.467 -7.802 4.300 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.695 -7.251 5.709 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.869 -9.200 4.362 1.00 0.00 C ATOM 109 CD1 ILE A 10 4.060 -8.314 6.721 1.00 0.00 C ATOM 0 H ILE A 10 5.802 -7.838 5.348 1.00 0.00 H new ATOM 0 HA ILE A 10 4.745 -8.606 2.759 1.00 0.00 H new ATOM 0 HB ILE A 10 2.762 -7.150 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.489 -6.505 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.792 -6.739 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.934 -9.171 4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.675 -9.558 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.568 -9.873 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.207 -7.852 7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.256 -9.048 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.980 -8.810 6.412 1.00 0.00 H new ATOM 121 N HIS A 11 4.683 -6.430 1.527 1.00 0.00 N ATOM 122 CA HIS A 11 4.815 -5.201 0.752 1.00 0.00 C ATOM 123 C HIS A 11 3.650 -5.044 -0.220 1.00 0.00 C ATOM 124 O HIS A 11 3.254 -5.998 -0.890 1.00 0.00 O ATOM 125 CB HIS A 11 6.138 -5.197 -0.014 1.00 0.00 C ATOM 126 CG HIS A 11 6.133 -6.081 -1.223 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.492 -5.747 -2.397 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.698 -7.293 -1.436 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.661 -6.715 -3.280 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.389 -7.665 -2.721 1.00 0.00 N ATOM 0 H HIS A 11 4.353 -7.233 0.991 1.00 0.00 H new ATOM 0 HA HIS A 11 4.802 -4.360 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.367 -4.177 -0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.937 -5.516 0.656 1.00 0.00 H new ATOM 0 HD1 HIS A 11 4.969 -4.886 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.283 -7.861 -0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.271 -6.728 -4.287 1.00 0.00 H new ATOM 138 N PHE A 12 3.105 -3.834 -0.292 1.00 0.00 N ATOM 139 CA PHE A 12 1.984 -3.552 -1.181 1.00 0.00 C ATOM 140 C PHE A 12 2.417 -3.628 -2.642 1.00 0.00 C ATOM 141 O PHE A 12 3.547 -3.283 -2.985 1.00 0.00 O ATOM 142 CB PHE A 12 1.403 -2.168 -0.881 1.00 0.00 C ATOM 143 CG PHE A 12 0.418 -2.165 0.253 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.775 -2.863 0.153 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.684 -1.463 1.417 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.683 -2.863 1.195 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.220 -1.459 2.462 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.406 -2.159 2.350 1.00 0.00 C ATOM 0 H PHE A 12 3.422 -3.033 0.255 1.00 0.00 H new ATOM 0 HA PHE A 12 1.216 -4.306 -1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.218 -1.484 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.914 -1.786 -1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.998 -3.413 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.609 -0.912 1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.608 -3.413 1.106 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.000 -0.909 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.115 -2.155 3.165 1.00 0.00 H new ATOM 158 N ASN A 13 1.508 -4.083 -3.499 1.00 0.00 N ATOM 159 CA ASN A 13 1.795 -4.206 -4.924 1.00 0.00 C ATOM 160 C ASN A 13 2.433 -2.929 -5.463 1.00 0.00 C ATOM 161 O ASN A 13 3.119 -2.949 -6.484 1.00 0.00 O ATOM 162 CB ASN A 13 0.512 -4.515 -5.699 1.00 0.00 C ATOM 163 CG ASN A 13 -0.650 -3.643 -5.264 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.523 -2.832 -4.346 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.791 -3.805 -5.924 1.00 0.00 N ATOM 0 H ASN A 13 0.567 -4.372 -3.232 1.00 0.00 H new ATOM 0 HA ASN A 13 2.499 -5.027 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.691 -4.372 -6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.249 -5.563 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.607 -3.245 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.851 -4.489 -6.678 1.00 0.00 H new ATOM 172 N PHE A 14 2.202 -1.820 -4.768 1.00 0.00 N ATOM 173 CA PHE A 14 2.753 -0.534 -5.176 1.00 0.00 C ATOM 174 C PHE A 14 3.220 0.267 -3.964 1.00 0.00 C ATOM 175 O PHE A 14 2.966 -0.112 -2.822 1.00 0.00 O ATOM 176 CB PHE A 14 1.711 0.267 -5.960 1.00 0.00 C ATOM 177 CG PHE A 14 0.337 0.215 -5.355 1.00 0.00 C ATOM 178 CD1 PHE A 14 0.133 0.580 -4.034 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.750 -0.198 -6.108 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.130 0.533 -3.475 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.016 -0.247 -5.554 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.206 0.120 -4.237 1.00 0.00 C ATOM 0 H PHE A 14 1.637 -1.787 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 14 3.613 -0.724 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.034 1.306 -6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.665 -0.113 -6.981 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.970 0.905 -3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.607 -0.485 -7.139 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.276 0.819 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.855 -0.572 -6.151 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.194 0.084 -3.803 1.00 0.00 H new ATOM 192 N GLU A 15 3.905 1.377 -4.224 1.00 0.00 N ATOM 193 CA GLU A 15 4.409 2.230 -3.154 1.00 0.00 C ATOM 194 C GLU A 15 3.423 3.353 -2.844 1.00 0.00 C ATOM 195 O GLU A 15 3.409 3.895 -1.738 1.00 0.00 O ATOM 196 CB GLU A 15 5.766 2.821 -3.539 1.00 0.00 C ATOM 197 CG GLU A 15 5.760 3.538 -4.879 1.00 0.00 C ATOM 198 CD GLU A 15 7.100 4.164 -5.212 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.018 3.422 -5.620 1.00 0.00 O ATOM 200 OE2 GLU A 15 7.231 5.398 -5.064 1.00 0.00 O ATOM 0 H GLU A 15 4.123 1.706 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 15 4.528 1.617 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.082 3.520 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.506 2.021 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.488 2.832 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.994 4.313 -4.869 1.00 0.00 H new ATOM 207 N LEU A 16 2.599 3.697 -3.827 1.00 0.00 N ATOM 208 CA LEU A 16 1.609 4.756 -3.661 1.00 0.00 C ATOM 209 C LEU A 16 0.395 4.511 -4.553 1.00 0.00 C ATOM 210 O LEU A 16 0.511 3.925 -5.630 1.00 0.00 O ATOM 211 CB LEU A 16 2.228 6.116 -3.986 1.00 0.00 C ATOM 212 CG LEU A 16 1.245 7.266 -4.205 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.918 8.603 -3.932 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.686 7.228 -5.620 1.00 0.00 C ATOM 0 H LEU A 16 2.596 3.258 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 16 1.280 4.752 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.901 6.390 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.838 6.010 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 16 0.417 7.149 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.203 9.410 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.269 8.630 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.765 8.729 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.012 8.054 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.502 7.319 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.166 6.283 -5.781 1.00 0.00 H new ATOM 226 N LEU A 17 -0.767 4.965 -4.098 1.00 0.00 N ATOM 227 CA LEU A 17 -2.003 4.798 -4.855 1.00 0.00 C ATOM 228 C LEU A 17 -2.625 6.150 -5.188 1.00 0.00 C ATOM 229 O LEU A 17 -3.131 6.846 -4.307 1.00 0.00 O ATOM 230 CB LEU A 17 -2.998 3.948 -4.063 1.00 0.00 C ATOM 231 CG LEU A 17 -4.406 3.842 -4.650 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.417 2.903 -5.846 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.391 3.370 -3.591 1.00 0.00 C ATOM 0 H LEU A 17 -0.880 5.452 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.762 4.290 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.590 2.942 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.076 4.359 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.713 4.832 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.427 2.840 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.742 3.283 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.089 1.912 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.388 3.300 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.087 2.390 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.405 4.081 -2.765 1.00 0.00 H new ATOM 245 N ASP A 18 -2.584 6.516 -6.465 1.00 0.00 N ATOM 246 CA ASP A 18 -3.146 7.784 -6.915 1.00 0.00 C ATOM 247 C ASP A 18 -4.520 7.576 -7.545 1.00 0.00 C ATOM 248 O ASP A 18 -4.629 7.221 -8.719 1.00 0.00 O ATOM 249 CB ASP A 18 -2.208 8.454 -7.920 1.00 0.00 C ATOM 250 CG ASP A 18 -1.960 7.594 -9.144 1.00 0.00 C ATOM 251 OD1 ASP A 18 -1.041 6.749 -9.100 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.686 7.765 -10.145 1.00 0.00 O ATOM 0 H ASP A 18 -2.168 5.953 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.258 8.432 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.634 9.408 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.257 8.673 -7.435 1.00 0.00 H new ATOM 257 N ILE A 19 -5.566 7.797 -6.756 1.00 0.00 N ATOM 258 CA ILE A 19 -6.933 7.634 -7.236 1.00 0.00 C ATOM 259 C ILE A 19 -7.310 8.746 -8.209 1.00 0.00 C ATOM 260 O ILE A 19 -8.346 8.682 -8.870 1.00 0.00 O ATOM 261 CB ILE A 19 -7.941 7.621 -6.072 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.890 8.948 -5.310 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.656 6.456 -5.137 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.784 8.978 -4.090 1.00 0.00 C ATOM 0 H ILE A 19 -5.493 8.089 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.974 6.674 -7.751 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.944 7.496 -6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.862 9.142 -5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.179 9.755 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.377 6.461 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.738 5.519 -5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.648 6.552 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.698 9.947 -3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.818 8.816 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.481 8.193 -3.398 1.00 0.00 H new ATOM 276 N GLY A 20 -6.461 9.766 -8.292 1.00 0.00 N ATOM 277 CA GLY A 20 -6.722 10.878 -9.187 1.00 0.00 C ATOM 278 C GLY A 20 -7.951 11.669 -8.787 1.00 0.00 C ATOM 279 O GLY A 20 -8.162 11.948 -7.606 1.00 0.00 O ATOM 0 H GLY A 20 -5.597 9.842 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.856 11.540 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.851 10.501 -10.202 1.00 0.00 H new ATOM 283 N LYS A 21 -8.764 12.034 -9.771 1.00 0.00 N ATOM 284 CA LYS A 21 -9.979 12.799 -9.517 1.00 0.00 C ATOM 285 C LYS A 21 -11.189 11.877 -9.401 1.00 0.00 C ATOM 286 O LYS A 21 -11.439 11.052 -10.280 1.00 0.00 O ATOM 287 CB LYS A 21 -10.208 13.820 -10.634 1.00 0.00 C ATOM 288 CG LYS A 21 -9.524 15.154 -10.389 1.00 0.00 C ATOM 289 CD LYS A 21 -10.215 16.281 -11.138 1.00 0.00 C ATOM 290 CE LYS A 21 -10.357 15.961 -12.618 1.00 0.00 C ATOM 291 NZ LYS A 21 -11.010 17.072 -13.365 1.00 0.00 N ATOM 0 H LYS A 21 -8.604 11.812 -10.754 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.854 13.327 -8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.847 13.404 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.279 13.986 -10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.523 15.373 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.482 15.093 -10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.200 16.456 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.646 17.203 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.373 15.766 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.942 15.049 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.089 16.816 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.959 17.241 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.439 17.936 -13.272 1.00 0.00 H new ATOM 305 N VAL A 22 -11.937 12.023 -8.313 1.00 0.00 N ATOM 306 CA VAL A 22 -13.122 11.205 -8.084 1.00 0.00 C ATOM 307 C VAL A 22 -14.348 12.074 -7.826 1.00 0.00 C ATOM 308 O VAL A 22 -14.232 13.278 -7.598 1.00 0.00 O ATOM 309 CB VAL A 22 -12.923 10.250 -6.892 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.964 9.129 -7.260 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.422 11.014 -5.676 1.00 0.00 C ATOM 0 H VAL A 22 -11.744 12.701 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.281 10.617 -8.988 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.885 9.804 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.836 8.465 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.369 8.565 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.999 9.552 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.287 10.324 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.470 11.489 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.150 11.777 -5.400 1.00 0.00 H new ATOM 321 N PHE A 23 -15.523 11.455 -7.863 1.00 0.00 N ATOM 322 CA PHE A 23 -16.773 12.171 -7.634 1.00 0.00 C ATOM 323 C PHE A 23 -17.126 12.188 -6.149 1.00 0.00 C ATOM 324 O PHE A 23 -17.064 11.161 -5.473 1.00 0.00 O ATOM 325 CB PHE A 23 -17.908 11.528 -8.433 1.00 0.00 C ATOM 326 CG PHE A 23 -18.983 12.498 -8.834 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.663 13.666 -9.506 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.312 12.240 -8.540 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.650 14.561 -9.876 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.303 13.131 -8.908 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.972 14.292 -9.578 1.00 0.00 C ATOM 0 H PHE A 23 -15.636 10.459 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.640 13.200 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.494 11.066 -9.329 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.353 10.730 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.631 13.880 -9.744 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.577 11.333 -8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.388 15.470 -10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.335 12.919 -8.672 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.745 14.988 -9.868 1.00 0.00 H new ATOM 341 N THR A 24 -17.495 13.362 -5.648 1.00 0.00 N ATOM 342 CA THR A 24 -17.856 13.515 -4.244 1.00 0.00 C ATOM 343 C THR A 24 -19.216 12.890 -3.956 1.00 0.00 C ATOM 344 O THR A 24 -20.131 12.963 -4.775 1.00 0.00 O ATOM 345 CB THR A 24 -17.887 14.998 -3.830 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.240 15.113 -2.447 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.882 15.776 -4.678 1.00 0.00 C ATOM 0 H THR A 24 -17.552 14.222 -6.194 1.00 0.00 H new ATOM 0 HA THR A 24 -17.091 13.000 -3.663 1.00 0.00 H new ATOM 0 HB THR A 24 -16.893 15.417 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.256 16.059 -2.191 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.886 16.821 -4.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.595 15.711 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.879 15.355 -4.548 1.00 0.00 H new ATOM 355 N GLY A 25 -19.343 12.274 -2.784 1.00 0.00 N ATOM 356 CA GLY A 25 -20.596 11.646 -2.408 1.00 0.00 C ATOM 357 C GLY A 25 -20.623 10.165 -2.733 1.00 0.00 C ATOM 358 O GLY A 25 -20.827 9.332 -1.851 1.00 0.00 O ATOM 0 H GLY A 25 -18.600 12.199 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.761 11.783 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.417 12.143 -2.924 1.00 0.00 H new ATOM 362 N SER A 26 -20.417 9.837 -4.005 1.00 0.00 N ATOM 363 CA SER A 26 -20.424 8.447 -4.447 1.00 0.00 C ATOM 364 C SER A 26 -19.295 7.662 -3.787 1.00 0.00 C ATOM 365 O SER A 26 -18.230 8.208 -3.500 1.00 0.00 O ATOM 366 CB SER A 26 -20.291 8.373 -5.969 1.00 0.00 C ATOM 367 OG SER A 26 -20.021 7.048 -6.393 1.00 0.00 O ATOM 0 H SER A 26 -20.243 10.515 -4.747 1.00 0.00 H new ATOM 0 HA SER A 26 -21.374 8.002 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 26 -21.210 8.727 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 26 -19.490 9.034 -6.300 1.00 0.00 H new ATOM 0 HG SER A 26 -19.942 7.027 -7.370 1.00 0.00 H new ATOM 373 N ALA A 27 -19.536 6.377 -3.549 1.00 0.00 N ATOM 374 CA ALA A 27 -18.539 5.515 -2.926 1.00 0.00 C ATOM 375 C ALA A 27 -17.504 5.048 -3.943 1.00 0.00 C ATOM 376 O ALA A 27 -17.843 4.703 -5.075 1.00 0.00 O ATOM 377 CB ALA A 27 -19.213 4.320 -2.268 1.00 0.00 C ATOM 0 H ALA A 27 -20.413 5.910 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.021 6.093 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.457 3.684 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.909 4.669 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.757 3.749 -3.021 1.00 0.00 H new ATOM 383 N HIS A 28 -16.239 5.041 -3.532 1.00 0.00 N ATOM 384 CA HIS A 28 -15.154 4.616 -4.409 1.00 0.00 C ATOM 385 C HIS A 28 -14.785 3.158 -4.150 1.00 0.00 C ATOM 386 O HIS A 28 -15.111 2.603 -3.100 1.00 0.00 O ATOM 387 CB HIS A 28 -13.928 5.508 -4.206 1.00 0.00 C ATOM 388 CG HIS A 28 -14.263 6.958 -4.045 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.531 7.815 -3.250 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.256 7.703 -4.584 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.062 9.024 -3.305 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.110 8.983 -4.108 1.00 0.00 N ATOM 0 H HIS A 28 -15.941 5.324 -2.599 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.495 4.708 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.384 5.169 -3.324 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.258 5.391 -5.058 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -12.709 7.556 -2.705 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.021 7.356 -5.262 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.700 9.897 -2.782 1.00 0.00 H new ATOM 400 N CYS A 29 -14.107 2.545 -5.113 1.00 0.00 N ATOM 401 CA CYS A 29 -13.696 1.151 -4.991 1.00 0.00 C ATOM 402 C CYS A 29 -12.225 0.983 -5.360 1.00 0.00 C ATOM 403 O CYS A 29 -11.791 1.409 -6.430 1.00 0.00 O ATOM 404 CB CYS A 29 -14.563 0.261 -5.883 1.00 0.00 C ATOM 405 SG CYS A 29 -14.075 -1.479 -5.887 1.00 0.00 S ATOM 0 H CYS A 29 -13.830 2.991 -5.987 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.828 0.849 -3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.600 0.336 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.524 0.640 -6.904 1.00 0.00 H new ATOM 0 HG CYS A 29 -14.868 -2.150 -6.668 1.00 0.00 H new ATOM 411 N TYR A 30 -11.464 0.362 -4.466 1.00 0.00 N ATOM 412 CA TYR A 30 -10.041 0.141 -4.696 1.00 0.00 C ATOM 413 C TYR A 30 -9.599 -1.203 -4.125 1.00 0.00 C ATOM 414 O TYR A 30 -10.248 -1.756 -3.238 1.00 0.00 O ATOM 415 CB TYR A 30 -9.221 1.269 -4.068 1.00 0.00 C ATOM 416 CG TYR A 30 -9.691 2.651 -4.461 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.808 3.013 -5.797 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.019 3.595 -3.495 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.237 4.275 -6.160 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.450 4.859 -3.849 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.556 5.194 -5.183 1.00 0.00 C ATOM 422 OH TYR A 30 -10.985 6.452 -5.541 1.00 0.00 O ATOM 0 H TYR A 30 -11.808 0.003 -3.576 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.870 0.132 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.262 1.176 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.177 1.153 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.559 2.296 -6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.936 3.336 -2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.322 4.540 -7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.702 5.580 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.169 6.977 -4.734 1.00 0.00 H new ATOM 432 N GLU A 31 -8.490 -1.722 -4.642 1.00 0.00 N ATOM 433 CA GLU A 31 -7.960 -3.001 -4.185 1.00 0.00 C ATOM 434 C GLU A 31 -6.439 -2.952 -4.073 1.00 0.00 C ATOM 435 O GLU A 31 -5.756 -2.461 -4.971 1.00 0.00 O ATOM 436 CB GLU A 31 -8.376 -4.122 -5.140 1.00 0.00 C ATOM 437 CG GLU A 31 -8.198 -5.514 -4.560 1.00 0.00 C ATOM 438 CD GLU A 31 -8.332 -6.604 -5.606 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.934 -6.365 -6.765 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.834 -7.695 -5.266 1.00 0.00 O ATOM 0 H GLU A 31 -7.941 -1.277 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.373 -3.203 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.421 -3.984 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.792 -4.042 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.217 -5.585 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.939 -5.674 -3.777 1.00 0.00 H new ATOM 447 N ALA A 32 -5.916 -3.465 -2.964 1.00 0.00 N ATOM 448 CA ALA A 32 -4.477 -3.481 -2.735 1.00 0.00 C ATOM 449 C ALA A 32 -3.991 -4.886 -2.393 1.00 0.00 C ATOM 450 O ALA A 32 -4.412 -5.472 -1.396 1.00 0.00 O ATOM 451 CB ALA A 32 -4.108 -2.508 -1.624 1.00 0.00 C ATOM 0 H ALA A 32 -6.468 -3.875 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.984 -3.168 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.030 -2.531 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.412 -1.500 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.618 -2.796 -0.704 1.00 0.00 H new ATOM 457 N ILE A 33 -3.105 -5.419 -3.227 1.00 0.00 N ATOM 458 CA ILE A 33 -2.562 -6.755 -3.012 1.00 0.00 C ATOM 459 C ILE A 33 -1.263 -6.699 -2.215 1.00 0.00 C ATOM 460 O ILE A 33 -0.273 -6.118 -2.661 1.00 0.00 O ATOM 461 CB ILE A 33 -2.302 -7.478 -4.346 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.486 -7.284 -5.296 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.046 -8.958 -4.106 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.832 -7.419 -4.620 1.00 0.00 C ATOM 0 H ILE A 33 -2.748 -4.947 -4.058 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.309 -7.312 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.414 -7.046 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.416 -6.297 -5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.418 -8.015 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.864 -9.455 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.174 -9.077 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.916 -9.404 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.624 -7.269 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.923 -8.415 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.920 -6.670 -3.833 1.00 0.00 H new ATOM 476 N LEU A 34 -1.274 -7.308 -1.034 1.00 0.00 N ATOM 477 CA LEU A 34 -0.095 -7.330 -0.175 1.00 0.00 C ATOM 478 C LEU A 34 0.639 -8.662 -0.291 1.00 0.00 C ATOM 479 O LEU A 34 0.119 -9.706 0.103 1.00 0.00 O ATOM 480 CB LEU A 34 -0.497 -7.081 1.280 1.00 0.00 C ATOM 481 CG LEU A 34 0.630 -6.663 2.225 1.00 0.00 C ATOM 482 CD1 LEU A 34 1.236 -5.341 1.781 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.118 -6.563 3.655 1.00 0.00 C ATOM 0 H LEU A 34 -2.085 -7.793 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 34 0.578 -6.537 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.264 -6.307 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.953 -7.990 1.671 1.00 0.00 H new ATOM 0 HG LEU A 34 1.408 -7.426 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.036 -5.060 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.640 -5.446 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.467 -4.569 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.934 -6.264 4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.679 -5.821 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.268 -7.532 3.972 1.00 0.00 H new ATOM 495 N TYR A 35 1.851 -8.617 -0.833 1.00 0.00 N ATOM 496 CA TYR A 35 2.657 -9.820 -1.001 1.00 0.00 C ATOM 497 C TYR A 35 3.515 -10.079 0.234 1.00 0.00 C ATOM 498 O TYR A 35 4.334 -9.246 0.620 1.00 0.00 O ATOM 499 CB TYR A 35 3.549 -9.693 -2.238 1.00 0.00 C ATOM 500 CG TYR A 35 2.781 -9.671 -3.539 1.00 0.00 C ATOM 501 CD1 TYR A 35 1.874 -8.656 -3.817 1.00 0.00 C ATOM 502 CD2 TYR A 35 2.960 -10.667 -4.492 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.169 -8.632 -5.004 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.260 -10.651 -5.683 1.00 0.00 C ATOM 505 CZ TYR A 35 1.366 -9.632 -5.934 1.00 0.00 C ATOM 506 OH TYR A 35 0.666 -9.613 -7.119 1.00 0.00 O ATOM 0 H TYR A 35 2.296 -7.761 -1.163 1.00 0.00 H new ATOM 0 HA TYR A 35 1.980 -10.664 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.138 -8.779 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.252 -10.525 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.718 -7.871 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.659 -11.467 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.468 -7.835 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.412 -11.432 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 35 0.922 -10.387 -7.663 1.00 0.00 H new ATOM 516 N ASN A 36 3.319 -11.241 0.849 1.00 0.00 N ATOM 517 CA ASN A 36 4.074 -11.611 2.040 1.00 0.00 C ATOM 518 C ASN A 36 5.382 -12.302 1.664 1.00 0.00 C ATOM 519 O ASN A 36 5.380 -13.353 1.023 1.00 0.00 O ATOM 520 CB ASN A 36 3.238 -12.530 2.934 1.00 0.00 C ATOM 521 CG ASN A 36 3.947 -12.878 4.229 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.709 -12.076 4.768 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.698 -14.081 4.734 1.00 0.00 N ATOM 0 H ASN A 36 2.644 -11.942 0.542 1.00 0.00 H new ATOM 0 HA ASN A 36 4.310 -10.698 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.289 -12.045 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.006 -13.447 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.146 -14.372 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.059 -14.714 4.253 1.00 0.00 H new ATOM 530 N LYS A 37 6.498 -11.703 2.066 1.00 0.00 N ATOM 531 CA LYS A 37 7.813 -12.259 1.773 1.00 0.00 C ATOM 532 C LYS A 37 8.365 -13.015 2.978 1.00 0.00 C ATOM 533 O LYS A 37 9.576 -13.168 3.125 1.00 0.00 O ATOM 534 CB LYS A 37 8.782 -11.146 1.369 1.00 0.00 C ATOM 535 CG LYS A 37 8.413 -10.463 0.063 1.00 0.00 C ATOM 536 CD LYS A 37 8.733 -11.341 -1.135 1.00 0.00 C ATOM 537 CE LYS A 37 7.812 -11.041 -2.308 1.00 0.00 C ATOM 538 NZ LYS A 37 6.507 -11.747 -2.183 1.00 0.00 N ATOM 0 H LYS A 37 6.517 -10.832 2.596 1.00 0.00 H new ATOM 0 HA LYS A 37 7.707 -12.959 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.816 -10.400 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.785 -11.563 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.350 -10.222 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.953 -9.520 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.769 -11.185 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.637 -12.390 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.639 -9.966 -2.369 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.298 -11.339 -3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.948 -11.599 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.674 -12.765 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.986 -11.371 -1.365 1.00 0.00 H new ATOM 552 N GLY A 38 7.466 -13.486 3.838 1.00 0.00 N ATOM 553 CA GLY A 38 7.883 -14.221 5.018 1.00 0.00 C ATOM 554 C GLY A 38 7.910 -15.719 4.788 1.00 0.00 C ATOM 555 O GLY A 38 7.197 -16.235 3.928 1.00 0.00 O ATOM 0 H GLY A 38 6.457 -13.372 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.875 -13.885 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.205 -13.995 5.841 1.00 0.00 H new ATOM 559 N SER A 39 8.737 -16.419 5.559 1.00 0.00 N ATOM 560 CA SER A 39 8.859 -17.866 5.431 1.00 0.00 C ATOM 561 C SER A 39 7.589 -18.563 5.909 1.00 0.00 C ATOM 562 O SER A 39 7.151 -19.552 5.321 1.00 0.00 O ATOM 563 CB SER A 39 10.062 -18.370 6.231 1.00 0.00 C ATOM 564 OG SER A 39 10.240 -19.766 6.060 1.00 0.00 O ATOM 0 H SER A 39 9.332 -16.007 6.278 1.00 0.00 H new ATOM 0 HA SER A 39 9.007 -18.101 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.961 -17.844 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.920 -18.145 7.288 1.00 0.00 H new ATOM 0 HG SER A 39 11.016 -20.063 6.580 1.00 0.00 H new ATOM 570 N ILE A 40 7.002 -18.039 6.980 1.00 0.00 N ATOM 571 CA ILE A 40 5.781 -18.609 7.537 1.00 0.00 C ATOM 572 C ILE A 40 4.679 -17.560 7.634 1.00 0.00 C ATOM 573 O ILE A 40 4.901 -16.383 7.348 1.00 0.00 O ATOM 574 CB ILE A 40 6.027 -19.211 8.933 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.426 -18.113 9.922 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.101 -20.286 8.865 1.00 0.00 C ATOM 577 CD1 ILE A 40 6.145 -18.469 11.365 1.00 0.00 C ATOM 0 H ILE A 40 7.352 -17.221 7.479 1.00 0.00 H new ATOM 0 HA ILE A 40 5.465 -19.402 6.859 1.00 0.00 H new ATOM 0 HB ILE A 40 5.103 -19.671 9.282 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.489 -17.902 9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.891 -17.197 9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.263 -20.702 9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.780 -21.078 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.030 -19.849 8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.453 -17.646 12.009 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.078 -18.651 11.494 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.702 -19.367 11.633 1.00 0.00 H new ATOM 589 N ASP A 41 3.491 -17.993 8.042 1.00 0.00 N ATOM 590 CA ASP A 41 2.354 -17.091 8.180 1.00 0.00 C ATOM 591 C ASP A 41 2.807 -15.716 8.661 1.00 0.00 C ATOM 592 O ASP A 41 3.774 -15.598 9.413 1.00 0.00 O ATOM 593 CB ASP A 41 1.330 -17.673 9.155 1.00 0.00 C ATOM 594 CG ASP A 41 0.881 -19.066 8.759 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.749 -19.892 8.407 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.339 -19.331 8.803 1.00 0.00 O ATOM 0 H ASP A 41 3.291 -18.964 8.283 1.00 0.00 H new ATOM 0 HA ASP A 41 1.889 -16.979 7.200 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.762 -17.704 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.463 -17.015 9.203 1.00 0.00 H new ATOM 601 N ALA A 42 2.103 -14.679 8.220 1.00 0.00 N ATOM 602 CA ALA A 42 2.431 -13.312 8.606 1.00 0.00 C ATOM 603 C ALA A 42 1.214 -12.596 9.180 1.00 0.00 C ATOM 604 O ALA A 42 0.206 -12.416 8.495 1.00 0.00 O ATOM 605 CB ALA A 42 2.984 -12.546 7.413 1.00 0.00 C ATOM 0 H ALA A 42 1.301 -14.760 7.595 1.00 0.00 H new ATOM 0 HA ALA A 42 3.194 -13.353 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.225 -11.527 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.886 -13.039 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.238 -12.522 6.618 1.00 0.00 H new ATOM 611 N LEU A 43 1.313 -12.189 10.441 1.00 0.00 N ATOM 612 CA LEU A 43 0.219 -11.492 11.108 1.00 0.00 C ATOM 613 C LEU A 43 0.258 -9.998 10.802 1.00 0.00 C ATOM 614 O LEU A 43 1.167 -9.289 11.234 1.00 0.00 O ATOM 615 CB LEU A 43 0.291 -11.716 12.619 1.00 0.00 C ATOM 616 CG LEU A 43 -0.417 -12.965 13.147 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.531 -14.154 13.152 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.969 -12.715 14.542 1.00 0.00 C ATOM 0 H LEU A 43 2.140 -12.330 11.022 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.720 -11.897 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.340 -11.768 12.909 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.134 -10.844 13.116 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.251 -13.194 12.484 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.010 -15.033 13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.878 -14.347 12.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.386 -13.935 13.792 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.469 -13.614 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.152 -12.460 15.216 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.682 -11.891 14.509 1.00 0.00 H new ATOM 630 N PHE A 44 -0.735 -9.526 10.056 1.00 0.00 N ATOM 631 CA PHE A 44 -0.815 -8.116 9.693 1.00 0.00 C ATOM 632 C PHE A 44 -2.039 -7.460 10.325 1.00 0.00 C ATOM 633 O PHE A 44 -3.004 -8.135 10.681 1.00 0.00 O ATOM 634 CB PHE A 44 -0.868 -7.961 8.171 1.00 0.00 C ATOM 635 CG PHE A 44 -2.166 -8.416 7.568 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.422 -9.764 7.378 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.130 -7.495 7.190 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.615 -10.187 6.823 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.326 -7.912 6.635 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.568 -9.259 6.450 1.00 0.00 C ATOM 0 H PHE A 44 -1.496 -10.099 9.691 1.00 0.00 H new ATOM 0 HA PHE A 44 0.078 -7.618 10.071 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.704 -6.914 7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.051 -8.530 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.680 -10.494 7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.945 -6.440 7.330 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.802 -11.241 6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.070 -7.185 6.346 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.501 -9.586 6.015 1.00 0.00 H new ATOM 650 N ASN A 45 -1.991 -6.139 10.462 1.00 0.00 N ATOM 651 CA ASN A 45 -3.094 -5.391 11.053 1.00 0.00 C ATOM 652 C ASN A 45 -3.125 -3.959 10.527 1.00 0.00 C ATOM 653 O ASN A 45 -2.100 -3.417 10.115 1.00 0.00 O ATOM 654 CB ASN A 45 -2.974 -5.383 12.578 1.00 0.00 C ATOM 655 CG ASN A 45 -4.077 -4.581 13.241 1.00 0.00 C ATOM 656 OD1 ASN A 45 -4.050 -3.350 13.243 1.00 0.00 O ATOM 657 ND2 ASN A 45 -5.056 -5.277 13.808 1.00 0.00 N ATOM 0 H ASN A 45 -1.200 -5.565 10.172 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.025 -5.883 10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.002 -6.408 12.947 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.007 -4.968 12.861 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.826 -4.792 14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.038 -6.297 13.782 1.00 0.00 H new ATOM 664 N MET A 46 -4.308 -3.353 10.543 1.00 0.00 N ATOM 665 CA MET A 46 -4.471 -1.984 10.069 1.00 0.00 C ATOM 666 C MET A 46 -4.650 -1.021 11.239 1.00 0.00 C ATOM 667 O MET A 46 -5.280 -1.357 12.242 1.00 0.00 O ATOM 668 CB MET A 46 -5.672 -1.888 9.126 1.00 0.00 C ATOM 669 CG MET A 46 -5.543 -2.759 7.887 1.00 0.00 C ATOM 670 SD MET A 46 -4.303 -2.145 6.732 1.00 0.00 S ATOM 671 CE MET A 46 -4.754 -0.415 6.639 1.00 0.00 C ATOM 0 H MET A 46 -5.167 -3.788 10.879 1.00 0.00 H new ATOM 0 HA MET A 46 -3.568 -1.704 9.526 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.573 -2.173 9.669 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.800 -0.850 8.819 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.283 -3.774 8.187 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.508 -2.812 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.527 -0.033 5.644 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.821 -0.306 6.834 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.190 0.149 7.382 1.00 0.00 H new ATOM 681 N THR A 47 -4.091 0.177 11.104 1.00 0.00 N ATOM 682 CA THR A 47 -4.187 1.188 12.150 1.00 0.00 C ATOM 683 C THR A 47 -5.315 2.171 11.862 1.00 0.00 C ATOM 684 O THR A 47 -5.392 2.767 10.787 1.00 0.00 O ATOM 685 CB THR A 47 -2.867 1.967 12.302 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.855 1.115 12.849 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.056 3.181 13.199 1.00 0.00 C ATOM 0 H THR A 47 -3.567 0.471 10.280 1.00 0.00 H new ATOM 0 HA THR A 47 -4.397 0.661 13.081 1.00 0.00 H new ATOM 0 HB THR A 47 -2.557 2.309 11.315 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.019 1.618 12.941 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.111 3.716 13.292 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.805 3.842 12.764 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.388 2.857 14.185 1.00 0.00 H new ATOM 695 N PRO A 48 -6.212 2.349 12.843 1.00 0.00 N ATOM 696 CA PRO A 48 -7.352 3.262 12.718 1.00 0.00 C ATOM 697 C PRO A 48 -6.925 4.726 12.711 1.00 0.00 C ATOM 698 O PRO A 48 -6.184 5.185 13.581 1.00 0.00 O ATOM 699 CB PRO A 48 -8.190 2.956 13.962 1.00 0.00 C ATOM 700 CG PRO A 48 -7.216 2.415 14.951 1.00 0.00 C ATOM 701 CD PRO A 48 -6.182 1.672 14.151 1.00 0.00 C ATOM 0 HA PRO A 48 -7.888 3.118 11.780 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.680 3.853 14.339 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.975 2.232 13.742 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.759 3.219 15.528 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.709 1.752 15.662 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.196 1.733 14.613 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.427 0.614 14.062 1.00 0.00 H new ATOM 709 N PRO A 49 -7.401 5.477 11.707 1.00 0.00 N ATOM 710 CA PRO A 49 -7.081 6.901 11.563 1.00 0.00 C ATOM 711 C PRO A 49 -7.737 7.754 12.644 1.00 0.00 C ATOM 712 O PRO A 49 -8.667 7.312 13.319 1.00 0.00 O ATOM 713 CB PRO A 49 -7.647 7.254 10.186 1.00 0.00 C ATOM 714 CG PRO A 49 -8.734 6.261 9.957 1.00 0.00 C ATOM 715 CD PRO A 49 -8.288 4.995 10.635 1.00 0.00 C ATOM 0 HA PRO A 49 -6.012 7.091 11.661 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.032 8.274 10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.881 7.187 9.414 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.678 6.614 10.371 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.895 6.097 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.133 4.434 11.034 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.763 4.333 9.946 1.00 0.00 H new ATOM 723 N THR A 50 -7.247 8.980 12.802 1.00 0.00 N ATOM 724 CA THR A 50 -7.785 9.895 13.801 1.00 0.00 C ATOM 725 C THR A 50 -8.246 11.199 13.160 1.00 0.00 C ATOM 726 O THR A 50 -8.649 12.133 13.852 1.00 0.00 O ATOM 727 CB THR A 50 -6.745 10.211 14.891 1.00 0.00 C ATOM 728 OG1 THR A 50 -7.296 11.127 15.844 1.00 0.00 O ATOM 729 CG2 THR A 50 -5.484 10.805 14.281 1.00 0.00 C ATOM 0 H THR A 50 -6.478 9.362 12.251 1.00 0.00 H new ATOM 0 HA THR A 50 -8.639 9.397 14.259 1.00 0.00 H new ATOM 0 HB THR A 50 -6.483 9.279 15.392 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.923 11.730 15.393 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.764 11.020 15.071 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.050 10.094 13.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.733 11.727 13.756 1.00 0.00 H new ATOM 737 N SER A 51 -8.184 11.255 11.833 1.00 0.00 N ATOM 738 CA SER A 51 -8.592 12.447 11.099 1.00 0.00 C ATOM 739 C SER A 51 -9.937 12.228 10.413 1.00 0.00 C ATOM 740 O SER A 51 -10.267 11.113 10.010 1.00 0.00 O ATOM 741 CB SER A 51 -7.532 12.820 10.061 1.00 0.00 C ATOM 742 OG SER A 51 -6.440 13.491 10.665 1.00 0.00 O ATOM 0 H SER A 51 -7.855 10.489 11.245 1.00 0.00 H new ATOM 0 HA SER A 51 -8.696 13.265 11.812 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.177 11.920 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.976 13.457 9.296 1.00 0.00 H new ATOM 0 HG SER A 51 -5.776 13.717 9.981 1.00 0.00 H new ATOM 748 N ALA A 52 -10.710 13.302 10.285 1.00 0.00 N ATOM 749 CA ALA A 52 -12.018 13.229 9.647 1.00 0.00 C ATOM 750 C ALA A 52 -11.906 12.692 8.224 1.00 0.00 C ATOM 751 O ALA A 52 -12.858 12.123 7.687 1.00 0.00 O ATOM 752 CB ALA A 52 -12.682 14.599 9.645 1.00 0.00 C ATOM 0 H ALA A 52 -10.453 14.232 10.615 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.636 12.538 10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.658 14.529 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.806 14.945 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.058 15.305 9.097 1.00 0.00 H new ATOM 758 N LEU A 53 -10.738 12.875 7.618 1.00 0.00 N ATOM 759 CA LEU A 53 -10.502 12.409 6.256 1.00 0.00 C ATOM 760 C LEU A 53 -10.131 10.929 6.243 1.00 0.00 C ATOM 761 O LEU A 53 -10.823 10.111 5.640 1.00 0.00 O ATOM 762 CB LEU A 53 -9.390 13.230 5.600 1.00 0.00 C ATOM 763 CG LEU A 53 -9.484 13.398 4.083 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.860 12.080 3.423 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.493 14.480 3.728 1.00 0.00 C ATOM 0 H LEU A 53 -9.940 13.343 8.048 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.424 12.539 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.381 14.220 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.434 12.762 5.835 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.507 13.703 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.922 12.218 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.102 11.330 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.826 11.746 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.547 14.586 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.474 14.204 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.182 15.427 4.170 1.00 0.00 H new ATOM 777 N GLY A 54 -9.035 10.593 6.917 1.00 0.00 N ATOM 778 CA GLY A 54 -8.593 9.212 6.972 1.00 0.00 C ATOM 779 C GLY A 54 -9.707 8.262 7.361 1.00 0.00 C ATOM 780 O GLY A 54 -9.805 7.157 6.827 1.00 0.00 O ATOM 0 H GLY A 54 -8.446 11.252 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.196 8.922 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.777 9.123 7.689 1.00 0.00 H new ATOM 784 N ALA A 55 -10.550 8.690 8.295 1.00 0.00 N ATOM 785 CA ALA A 55 -11.663 7.869 8.754 1.00 0.00 C ATOM 786 C ALA A 55 -12.553 7.449 7.589 1.00 0.00 C ATOM 787 O ALA A 55 -12.991 6.300 7.513 1.00 0.00 O ATOM 788 CB ALA A 55 -12.477 8.620 9.798 1.00 0.00 C ATOM 0 H ALA A 55 -10.483 9.601 8.749 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.253 6.967 9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.305 7.995 10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.841 8.865 10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.869 9.539 9.362 1.00 0.00 H new ATOM 794 N CYS A 56 -12.816 8.385 6.685 1.00 0.00 N ATOM 795 CA CYS A 56 -13.656 8.112 5.523 1.00 0.00 C ATOM 796 C CYS A 56 -13.206 6.838 4.815 1.00 0.00 C ATOM 797 O CYS A 56 -13.982 6.207 4.097 1.00 0.00 O ATOM 798 CB CYS A 56 -13.616 9.291 4.550 1.00 0.00 C ATOM 799 SG CYS A 56 -14.412 10.790 5.175 1.00 0.00 S ATOM 0 H CYS A 56 -12.460 9.340 6.733 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.680 7.972 5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.577 9.517 4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.100 8.997 3.619 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.730 11.258 6.178 1.00 0.00 H new ATOM 805 N PHE A 57 -11.947 6.466 5.022 1.00 0.00 N ATOM 806 CA PHE A 57 -11.392 5.268 4.401 1.00 0.00 C ATOM 807 C PHE A 57 -11.682 4.033 5.248 1.00 0.00 C ATOM 808 O PHE A 57 -11.795 4.117 6.471 1.00 0.00 O ATOM 809 CB PHE A 57 -9.883 5.422 4.204 1.00 0.00 C ATOM 810 CG PHE A 57 -9.516 6.415 3.138 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.732 7.770 3.331 1.00 0.00 C ATOM 812 CD2 PHE A 57 -8.954 5.994 1.944 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.396 8.686 2.352 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.615 6.905 0.961 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.836 8.253 1.166 1.00 0.00 C ATOM 0 H PHE A 57 -11.292 6.976 5.614 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.867 5.140 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.431 5.730 5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.457 4.452 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.168 8.114 4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.779 4.941 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.571 9.739 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.178 6.563 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.571 8.967 0.400 1.00 0.00 H new ATOM 825 N VAL A 58 -11.803 2.885 4.588 1.00 0.00 N ATOM 826 CA VAL A 58 -12.079 1.631 5.279 1.00 0.00 C ATOM 827 C VAL A 58 -11.231 0.496 4.718 1.00 0.00 C ATOM 828 O VAL A 58 -11.446 0.042 3.594 1.00 0.00 O ATOM 829 CB VAL A 58 -13.567 1.247 5.171 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.819 -0.103 5.825 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.441 2.323 5.797 1.00 0.00 C ATOM 0 H VAL A 58 -11.714 2.798 3.576 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.826 1.785 6.328 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.828 1.167 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.875 -0.357 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.220 -0.866 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.542 -0.054 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.489 2.036 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.180 2.437 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.281 3.269 5.279 1.00 0.00 H new ATOM 841 N PHE A 59 -10.265 0.040 5.509 1.00 0.00 N ATOM 842 CA PHE A 59 -9.382 -1.043 5.091 1.00 0.00 C ATOM 843 C PHE A 59 -9.793 -2.361 5.742 1.00 0.00 C ATOM 844 O PHE A 59 -9.983 -2.434 6.956 1.00 0.00 O ATOM 845 CB PHE A 59 -7.932 -0.715 5.450 1.00 0.00 C ATOM 846 CG PHE A 59 -7.362 0.426 4.656 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.795 1.724 4.875 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.392 0.201 3.692 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.273 2.775 4.146 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.866 1.248 2.960 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.306 2.537 3.188 1.00 0.00 C ATOM 0 H PHE A 59 -10.074 0.403 6.443 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.466 -1.150 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.874 -0.473 6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.317 -1.601 5.291 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.549 1.916 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.043 -0.805 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.620 3.782 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.112 1.059 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.895 3.358 2.619 1.00 0.00 H new ATOM 861 N SER A 60 -9.928 -3.401 4.924 1.00 0.00 N ATOM 862 CA SER A 60 -10.320 -4.715 5.419 1.00 0.00 C ATOM 863 C SER A 60 -9.682 -5.822 4.584 1.00 0.00 C ATOM 864 O SER A 60 -9.359 -5.642 3.410 1.00 0.00 O ATOM 865 CB SER A 60 -11.843 -4.858 5.396 1.00 0.00 C ATOM 866 OG SER A 60 -12.421 -4.350 6.586 1.00 0.00 O ATOM 0 H SER A 60 -9.772 -3.359 3.917 1.00 0.00 H new ATOM 0 HA SER A 60 -9.968 -4.809 6.446 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.248 -4.326 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.111 -5.908 5.277 1.00 0.00 H new ATOM 0 HG SER A 60 -11.840 -3.656 6.962 1.00 0.00 H new ATOM 872 N PRO A 61 -9.495 -6.996 5.205 1.00 0.00 N ATOM 873 CA PRO A 61 -9.875 -7.223 6.602 1.00 0.00 C ATOM 874 C PRO A 61 -8.987 -6.456 7.576 1.00 0.00 C ATOM 875 O PRO A 61 -7.763 -6.449 7.443 1.00 0.00 O ATOM 876 CB PRO A 61 -9.686 -8.731 6.782 1.00 0.00 C ATOM 877 CG PRO A 61 -8.670 -9.110 5.760 1.00 0.00 C ATOM 878 CD PRO A 61 -8.898 -8.194 4.590 1.00 0.00 C ATOM 0 HA PRO A 61 -10.888 -6.879 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.343 -8.970 7.789 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.622 -9.268 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.660 -8.997 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.782 -10.154 5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.966 -7.960 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.565 -8.642 3.853 1.00 0.00 H new ATOM 886 N LYS A 62 -9.610 -5.810 8.556 1.00 0.00 N ATOM 887 CA LYS A 62 -8.877 -5.041 9.554 1.00 0.00 C ATOM 888 C LYS A 62 -7.603 -5.767 9.973 1.00 0.00 C ATOM 889 O LYS A 62 -6.598 -5.137 10.302 1.00 0.00 O ATOM 890 CB LYS A 62 -9.757 -4.786 10.779 1.00 0.00 C ATOM 891 CG LYS A 62 -10.151 -6.052 11.520 1.00 0.00 C ATOM 892 CD LYS A 62 -11.468 -5.880 12.258 1.00 0.00 C ATOM 893 CE LYS A 62 -11.267 -5.208 13.607 1.00 0.00 C ATOM 894 NZ LYS A 62 -10.902 -6.188 14.667 1.00 0.00 N ATOM 0 H LYS A 62 -10.622 -5.804 8.680 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.600 -4.086 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.228 -4.124 11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.660 -4.263 10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.234 -6.877 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.367 -6.318 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.151 -5.285 11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.936 -6.854 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.484 -4.455 13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.181 -4.688 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.757 -5.688 15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.668 -6.883 14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.025 -6.679 14.399 1.00 0.00 H new ATOM 908 N GLU A 63 -7.652 -7.096 9.956 1.00 0.00 N ATOM 909 CA GLU A 63 -6.500 -7.907 10.334 1.00 0.00 C ATOM 910 C GLU A 63 -6.677 -9.351 9.875 1.00 0.00 C ATOM 911 O GLU A 63 -7.794 -9.800 9.620 1.00 0.00 O ATOM 912 CB GLU A 63 -6.293 -7.863 11.849 1.00 0.00 C ATOM 913 CG GLU A 63 -7.169 -8.843 12.612 1.00 0.00 C ATOM 914 CD GLU A 63 -7.370 -8.441 14.060 1.00 0.00 C ATOM 915 OE1 GLU A 63 -6.471 -8.716 14.882 1.00 0.00 O ATOM 916 OE2 GLU A 63 -8.426 -7.851 14.370 1.00 0.00 O ATOM 0 H GLU A 63 -8.476 -7.633 9.685 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.620 -7.494 9.842 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.247 -8.075 12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.496 -6.853 12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.139 -8.915 12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.717 -9.834 12.573 1.00 0.00 H new ATOM 923 N GLY A 64 -5.566 -10.074 9.771 1.00 0.00 N ATOM 924 CA GLY A 64 -5.620 -11.459 9.342 1.00 0.00 C ATOM 925 C GLY A 64 -4.244 -12.087 9.237 1.00 0.00 C ATOM 926 O GLY A 64 -3.348 -11.769 10.019 1.00 0.00 O ATOM 0 H GLY A 64 -4.630 -9.725 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.224 -12.031 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.118 -11.517 8.374 1.00 0.00 H new ATOM 930 N ILE A 65 -4.076 -12.982 8.269 1.00 0.00 N ATOM 931 CA ILE A 65 -2.800 -13.656 8.066 1.00 0.00 C ATOM 932 C ILE A 65 -2.513 -13.854 6.581 1.00 0.00 C ATOM 933 O ILE A 65 -3.398 -14.229 5.812 1.00 0.00 O ATOM 934 CB ILE A 65 -2.768 -15.025 8.770 1.00 0.00 C ATOM 935 CG1 ILE A 65 -2.907 -14.848 10.283 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.481 -15.764 8.434 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.167 -16.143 11.022 1.00 0.00 C ATOM 0 H ILE A 65 -4.807 -13.257 7.613 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.032 -13.015 8.500 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.609 -15.620 8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.996 -14.393 10.673 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.722 -14.153 10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.474 -16.730 8.939 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.420 -15.918 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.626 -15.175 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.254 -15.941 12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.093 -16.589 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.341 -16.833 10.849 1.00 0.00 H new ATOM 949 N ILE A 66 -1.270 -13.600 6.186 1.00 0.00 N ATOM 950 CA ILE A 66 -0.866 -13.753 4.794 1.00 0.00 C ATOM 951 C ILE A 66 0.154 -14.876 4.638 1.00 0.00 C ATOM 952 O ILE A 66 1.336 -14.699 4.932 1.00 0.00 O ATOM 953 CB ILE A 66 -0.267 -12.449 4.235 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.147 -11.255 4.612 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.110 -12.543 2.724 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.565 -9.921 4.198 1.00 0.00 C ATOM 0 H ILE A 66 -0.526 -13.288 6.810 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.765 -14.001 4.230 1.00 0.00 H new ATOM 0 HB ILE A 66 0.720 -12.302 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.126 -11.375 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.303 -11.255 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.314 -11.614 2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.553 -13.372 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.085 -12.710 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.242 -9.120 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.401 -9.779 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.435 -9.901 3.116 1.00 0.00 H new ATOM 968 N GLU A 67 -0.311 -16.030 4.171 1.00 0.00 N ATOM 969 CA GLU A 67 0.562 -17.181 3.975 1.00 0.00 C ATOM 970 C GLU A 67 1.928 -16.746 3.452 1.00 0.00 C ATOM 971 O GLU A 67 2.076 -15.694 2.829 1.00 0.00 O ATOM 972 CB GLU A 67 -0.076 -18.174 3.001 1.00 0.00 C ATOM 973 CG GLU A 67 0.294 -17.925 1.548 1.00 0.00 C ATOM 974 CD GLU A 67 -0.669 -18.584 0.580 1.00 0.00 C ATOM 975 OE1 GLU A 67 -1.894 -18.426 0.761 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.196 -19.257 -0.361 1.00 0.00 O ATOM 0 H GLU A 67 -1.287 -16.193 3.922 1.00 0.00 H new ATOM 0 HA GLU A 67 0.700 -17.668 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.226 -19.185 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.160 -18.126 3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.314 -16.851 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.301 -18.299 1.364 1.00 0.00 H new ATOM 983 N PRO A 68 2.952 -17.573 3.710 1.00 0.00 N ATOM 984 CA PRO A 68 4.324 -17.295 3.274 1.00 0.00 C ATOM 985 C PRO A 68 4.486 -17.408 1.762 1.00 0.00 C ATOM 986 O PRO A 68 3.994 -18.352 1.144 1.00 0.00 O ATOM 987 CB PRO A 68 5.146 -18.375 3.983 1.00 0.00 C ATOM 988 CG PRO A 68 4.186 -19.490 4.215 1.00 0.00 C ATOM 989 CD PRO A 68 2.848 -18.844 4.446 1.00 0.00 C ATOM 0 HA PRO A 68 4.631 -16.278 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.988 -18.698 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.559 -18.006 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.152 -20.161 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.484 -20.089 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.033 -19.462 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.659 -18.680 5.507 1.00 0.00 H new ATOM 997 N SER A 69 5.179 -16.440 1.172 1.00 0.00 N ATOM 998 CA SER A 69 5.403 -16.429 -0.268 1.00 0.00 C ATOM 999 C SER A 69 4.078 -16.402 -1.024 1.00 0.00 C ATOM 1000 O SER A 69 3.964 -16.952 -2.119 1.00 0.00 O ATOM 1001 CB SER A 69 6.218 -17.654 -0.688 1.00 0.00 C ATOM 1002 OG SER A 69 7.339 -17.835 0.159 1.00 0.00 O ATOM 0 H SER A 69 5.595 -15.653 1.669 1.00 0.00 H new ATOM 0 HA SER A 69 5.962 -15.527 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.587 -18.542 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.552 -17.536 -1.719 1.00 0.00 H new ATOM 0 HG SER A 69 7.842 -18.625 -0.129 1.00 0.00 H new ATOM 1008 N GLY A 70 3.078 -15.757 -0.431 1.00 0.00 N ATOM 1009 CA GLY A 70 1.774 -15.670 -1.061 1.00 0.00 C ATOM 1010 C GLY A 70 1.299 -14.238 -1.214 1.00 0.00 C ATOM 1011 O GLY A 70 2.107 -13.315 -1.309 1.00 0.00 O ATOM 0 H GLY A 70 3.148 -15.293 0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.816 -16.143 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.049 -16.229 -0.469 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.017 -14.053 -1.240 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.600 -12.724 -1.383 1.00 0.00 C ATOM 1017 C VAL A 71 -1.931 -12.625 -0.646 1.00 0.00 C ATOM 1018 O VAL A 71 -2.526 -13.639 -0.282 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.817 -12.364 -2.865 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.512 -12.066 -3.543 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.553 -13.485 -3.583 1.00 0.00 C ATOM 0 H VAL A 71 -0.700 -14.807 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 71 0.107 -12.019 -0.945 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.432 -11.466 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.338 -11.814 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.995 -11.227 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.156 -12.944 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.698 -13.214 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.966 -14.402 -3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.523 -13.644 -3.112 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.391 -11.397 -0.431 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.653 -11.166 0.263 1.00 0.00 C ATOM 1033 C GLN A 72 -4.337 -9.905 -0.256 1.00 0.00 C ATOM 1034 O GLN A 72 -3.776 -8.812 -0.191 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.416 -11.048 1.770 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.644 -10.597 2.545 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.683 -11.693 2.682 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.346 -12.865 2.851 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.954 -11.316 2.611 1.00 0.00 N ATOM 0 H GLN A 72 -1.910 -10.548 -0.727 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.306 -12.017 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.088 -12.014 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.605 -10.342 1.948 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.340 -10.263 3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.091 -9.739 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.187 -10.333 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.697 -12.009 2.698 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.551 -10.066 -0.772 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.312 -8.941 -1.301 1.00 0.00 C ATOM 1050 C ALA A 73 -6.804 -8.035 -0.178 1.00 0.00 C ATOM 1051 O ALA A 73 -7.195 -8.510 0.889 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.484 -9.441 -2.132 1.00 0.00 C ATOM 0 H ALA A 73 -6.029 -10.965 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.652 -8.356 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.044 -8.590 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.112 -10.041 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.138 -10.051 -1.509 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.783 -6.730 -0.424 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.228 -5.758 0.567 1.00 0.00 C ATOM 1060 C ILE A 74 -8.343 -4.879 0.013 1.00 0.00 C ATOM 1061 O ILE A 74 -8.137 -4.124 -0.937 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.067 -4.861 1.036 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.924 -5.715 1.587 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.553 -3.874 2.088 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.137 -6.161 3.017 1.00 0.00 C ATOM 0 H ILE A 74 -6.462 -6.321 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.605 -6.325 1.418 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.694 -4.297 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.801 -6.595 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.995 -5.147 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.722 -3.247 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.337 -3.247 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.948 -4.420 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.287 -6.762 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.229 -5.286 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.048 -6.756 3.081 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.524 -4.982 0.614 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.673 -4.195 0.180 1.00 0.00 C ATOM 1079 C GLN A 75 -10.647 -2.804 0.806 1.00 0.00 C ATOM 1080 O GLN A 75 -10.757 -2.659 2.024 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.975 -4.908 0.548 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.129 -6.269 -0.111 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.213 -6.181 -1.622 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.302 -6.126 -2.193 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.059 -6.167 -2.279 1.00 0.00 N ATOM 0 H GLN A 75 -9.711 -5.602 1.402 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.620 -4.088 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.020 -5.030 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.818 -4.278 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.284 -6.900 0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.027 -6.754 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.179 -6.214 -1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.053 -6.109 -3.297 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.500 -1.785 -0.034 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.460 -0.406 0.437 1.00 0.00 C ATOM 1096 C ILE A 76 -11.653 0.387 -0.085 1.00 0.00 C ATOM 1097 O ILE A 76 -12.006 0.296 -1.260 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.161 0.299 0.006 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.944 -0.438 0.570 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.168 1.749 0.464 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.687 -0.244 -0.249 1.00 0.00 C ATOM 0 H ILE A 76 -10.407 -1.888 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.499 -0.443 1.526 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.100 0.283 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.761 -0.095 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.169 -1.503 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.243 2.234 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -10.017 2.267 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.249 1.787 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.865 -0.794 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.851 -0.614 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.437 0.816 -0.286 1.00 0.00 H new ATOM 1113 N SER A 77 -12.269 1.168 0.797 1.00 0.00 N ATOM 1114 CA SER A 77 -13.424 1.977 0.427 1.00 0.00 C ATOM 1115 C SER A 77 -13.301 3.390 0.989 1.00 0.00 C ATOM 1116 O SER A 77 -13.299 3.589 2.204 1.00 0.00 O ATOM 1117 CB SER A 77 -14.713 1.326 0.932 1.00 0.00 C ATOM 1118 OG SER A 77 -15.198 0.369 0.005 1.00 0.00 O ATOM 0 H SER A 77 -11.987 1.257 1.773 1.00 0.00 H new ATOM 0 HA SER A 77 -13.459 2.039 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.529 0.846 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.470 2.092 1.098 1.00 0.00 H new ATOM 0 HG SER A 77 -16.021 -0.034 0.351 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.198 4.369 0.096 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.073 5.764 0.502 1.00 0.00 C ATOM 1126 C PHE A 78 -14.263 6.582 0.010 1.00 0.00 C ATOM 1127 O PHE A 78 -14.696 6.442 -1.134 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.771 6.359 -0.039 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.758 7.861 -0.048 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -12.069 8.577 1.097 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.434 8.558 -1.201 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -12.058 9.959 1.092 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.421 9.939 -1.212 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.734 10.641 -0.064 1.00 0.00 C ATOM 0 H PHE A 78 -13.199 4.222 -0.913 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.056 5.800 1.591 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.938 6.000 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.609 5.996 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.323 8.049 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.189 8.015 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.303 10.505 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.166 10.470 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.725 11.721 -0.071 1.00 0.00 H new ATOM 1144 N SER A 79 -14.787 7.436 0.882 1.00 0.00 N ATOM 1145 CA SER A 79 -15.930 8.274 0.539 1.00 0.00 C ATOM 1146 C SER A 79 -16.028 9.471 1.481 1.00 0.00 C ATOM 1147 O SER A 79 -16.366 9.325 2.655 1.00 0.00 O ATOM 1148 CB SER A 79 -17.223 7.459 0.597 1.00 0.00 C ATOM 1149 OG SER A 79 -18.356 8.283 0.387 1.00 0.00 O ATOM 0 H SER A 79 -14.439 7.566 1.832 1.00 0.00 H new ATOM 0 HA SER A 79 -15.787 8.643 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.196 6.674 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.303 6.966 1.566 1.00 0.00 H new ATOM 0 HG SER A 79 -19.169 7.738 0.427 1.00 0.00 H new ATOM 1155 N SER A 80 -15.730 10.655 0.955 1.00 0.00 N ATOM 1156 CA SER A 80 -15.780 11.878 1.748 1.00 0.00 C ATOM 1157 C SER A 80 -16.452 13.004 0.968 1.00 0.00 C ATOM 1158 O SER A 80 -16.427 13.021 -0.263 1.00 0.00 O ATOM 1159 CB SER A 80 -14.369 12.300 2.163 1.00 0.00 C ATOM 1160 OG SER A 80 -14.402 13.467 2.967 1.00 0.00 O ATOM 0 H SER A 80 -15.452 10.793 -0.016 1.00 0.00 H new ATOM 0 HA SER A 80 -16.369 11.678 2.643 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.890 11.489 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.765 12.483 1.275 1.00 0.00 H new ATOM 0 HG SER A 80 -14.420 13.212 3.913 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.050 13.943 1.693 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.727 15.073 1.070 1.00 0.00 C ATOM 1168 C ILE A 81 -16.896 16.346 1.190 1.00 0.00 C ATOM 1169 O ILE A 81 -17.431 17.454 1.152 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.111 15.317 1.700 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.985 15.475 3.217 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.057 14.175 1.358 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.295 15.797 3.902 1.00 0.00 C ATOM 0 H ILE A 81 -17.079 13.943 2.713 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.855 14.822 0.017 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.523 16.240 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.581 14.554 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.267 16.266 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.031 14.362 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.167 14.105 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.652 13.239 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.130 15.895 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.691 16.733 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.009 14.995 3.716 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.585 16.179 1.331 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.680 17.314 1.452 1.00 0.00 C ATOM 1187 C ILE A 82 -13.922 17.555 0.151 1.00 0.00 C ATOM 1188 O ILE A 82 -12.896 16.925 -0.109 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.665 17.106 2.592 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.390 16.983 3.934 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.665 18.251 2.627 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.660 16.121 4.939 1.00 0.00 C ATOM 0 H ILE A 82 -15.127 15.268 1.364 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.296 18.185 1.678 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.120 16.180 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.529 17.979 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.383 16.567 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.955 18.089 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.129 18.295 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.193 19.191 2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.232 16.079 5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.544 15.114 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.677 16.548 5.138 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.434 18.472 -0.663 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.805 18.798 -1.938 1.00 0.00 C ATOM 1206 C LEU A 83 -12.372 19.279 -1.732 1.00 0.00 C ATOM 1207 O LEU A 83 -11.993 19.679 -0.632 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.614 19.871 -2.669 1.00 0.00 C ATOM 1209 CG LEU A 83 -16.134 19.705 -2.634 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.797 20.653 -3.622 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -16.520 18.264 -2.934 1.00 0.00 C ATOM 0 H LEU A 83 -15.282 19.002 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.781 17.893 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.364 20.841 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -14.295 19.892 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.485 19.953 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.878 20.521 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.548 21.682 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.441 20.436 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -17.605 18.164 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -16.157 17.989 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.075 17.605 -2.188 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.580 19.238 -2.799 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.198 19.674 -2.714 1.00 0.00 C ATOM 1225 C GLY A 84 -9.228 18.512 -2.631 1.00 0.00 C ATOM 1226 O GLY A 84 -9.637 17.364 -2.468 1.00 0.00 O ATOM 0 H GLY A 84 -11.870 18.911 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.958 20.282 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.074 20.310 -1.838 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.938 18.812 -2.745 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.906 17.783 -2.684 1.00 0.00 C ATOM 1232 C ASN A 85 -6.678 17.325 -1.247 1.00 0.00 C ATOM 1233 O ASN A 85 -6.826 18.104 -0.305 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.597 18.308 -3.278 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.651 18.417 -4.789 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.990 17.457 -5.481 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.315 19.592 -5.310 1.00 0.00 N ATOM 0 H ASN A 85 -7.583 19.759 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.246 16.928 -3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.375 19.287 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.780 17.645 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.332 19.725 -6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.040 20.361 -4.699 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.317 16.056 -1.086 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.068 15.494 0.237 1.00 0.00 C ATOM 1246 C PHE A 86 -4.994 14.412 0.175 1.00 0.00 C ATOM 1247 O PHE A 86 -4.997 13.572 -0.725 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.359 14.915 0.819 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.758 13.603 0.204 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -6.998 12.464 0.417 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.893 13.509 -0.585 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.362 11.257 -0.148 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.262 12.304 -1.152 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.496 11.176 -0.932 1.00 0.00 C ATOM 0 H PHE A 86 -6.190 15.398 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.713 16.296 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.236 14.781 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.166 15.634 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.112 12.520 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.496 14.388 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.760 10.377 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.148 12.244 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.783 10.233 -1.372 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.078 14.440 1.137 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.997 13.463 1.191 1.00 0.00 C ATOM 1266 C GLU A 87 -2.944 12.786 2.558 1.00 0.00 C ATOM 1267 O GLU A 87 -2.681 13.432 3.571 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.656 14.135 0.890 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.474 13.181 0.935 1.00 0.00 C ATOM 1270 CD GLU A 87 0.855 13.891 0.762 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.933 14.806 -0.085 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.816 13.533 1.474 1.00 0.00 O ATOM 0 H GLU A 87 -4.063 15.128 1.890 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.191 12.702 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.703 14.595 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.492 14.938 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.477 12.650 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.586 12.432 0.151 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.195 11.480 2.575 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.177 10.716 3.817 1.00 0.00 C ATOM 1281 C GLU A 88 -2.379 9.426 3.650 1.00 0.00 C ATOM 1282 O GLU A 88 -2.254 8.900 2.545 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.604 10.391 4.263 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.402 11.612 4.687 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.685 12.443 5.733 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -3.814 11.888 6.436 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -4.994 13.647 5.850 1.00 0.00 O ATOM 0 H GLU A 88 -3.413 10.930 1.744 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.695 11.325 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.126 9.892 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.564 9.687 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.604 12.231 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.367 11.292 5.081 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.839 8.924 4.757 1.00 0.00 N ATOM 1295 CA GLU A 89 -1.051 7.697 4.733 1.00 0.00 C ATOM 1296 C GLU A 89 -1.437 6.781 5.890 1.00 0.00 C ATOM 1297 O GLU A 89 -1.609 7.231 7.023 1.00 0.00 O ATOM 1298 CB GLU A 89 0.442 8.023 4.801 1.00 0.00 C ATOM 1299 CG GLU A 89 0.760 9.253 5.635 1.00 0.00 C ATOM 1300 CD GLU A 89 2.240 9.583 5.647 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.687 10.339 4.760 1.00 0.00 O ATOM 1302 OE2 GLU A 89 2.950 9.085 6.546 1.00 0.00 O ATOM 0 H GLU A 89 -1.933 9.348 5.680 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.260 7.179 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.974 7.166 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.819 8.173 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.205 10.106 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.419 9.092 6.658 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.572 5.492 5.597 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.939 4.511 6.611 1.00 0.00 C ATOM 1311 C PHE A 90 -0.748 3.625 6.967 1.00 0.00 C ATOM 1312 O PHE A 90 0.235 3.560 6.228 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.102 3.647 6.119 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.278 4.446 5.633 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.192 5.189 4.467 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.468 4.453 6.342 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.272 5.925 4.016 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.551 5.186 5.896 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.453 5.924 4.733 1.00 0.00 C ATOM 0 H PHE A 90 -1.433 5.102 4.665 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.249 5.050 7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.751 3.004 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.427 2.993 6.929 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.271 5.193 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.550 3.879 7.253 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.193 6.500 3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.474 5.182 6.457 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.298 6.499 4.385 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.843 2.946 8.105 1.00 0.00 N ATOM 1330 CA LEU A 91 0.226 2.064 8.561 1.00 0.00 C ATOM 1331 C LEU A 91 -0.315 0.675 8.883 1.00 0.00 C ATOM 1332 O LEU A 91 -1.447 0.529 9.345 1.00 0.00 O ATOM 1333 CB LEU A 91 0.911 2.656 9.794 1.00 0.00 C ATOM 1334 CG LEU A 91 1.779 3.891 9.552 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.543 4.262 10.813 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.738 3.650 8.396 1.00 0.00 C ATOM 0 H LEU A 91 -1.649 2.989 8.729 1.00 0.00 H new ATOM 0 HA LEU A 91 0.956 1.972 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.143 2.914 10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.532 1.883 10.246 1.00 0.00 H new ATOM 0 HG LEU A 91 1.127 4.724 9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.155 5.143 10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.838 4.478 11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.185 3.431 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.348 4.539 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.384 2.804 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.170 3.434 7.491 1.00 0.00 H new ATOM 1348 N VAL A 92 0.502 -0.345 8.639 1.00 0.00 N ATOM 1349 CA VAL A 92 0.108 -1.722 8.906 1.00 0.00 C ATOM 1350 C VAL A 92 0.973 -2.340 9.999 1.00 0.00 C ATOM 1351 O VAL A 92 2.154 -2.612 9.790 1.00 0.00 O ATOM 1352 CB VAL A 92 0.206 -2.590 7.637 1.00 0.00 C ATOM 1353 CG1 VAL A 92 0.136 -4.067 7.994 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.892 -2.219 6.652 1.00 0.00 C ATOM 0 H VAL A 92 1.442 -0.243 8.256 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.929 -1.695 9.240 1.00 0.00 H new ATOM 0 HB VAL A 92 1.168 -2.401 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.207 -4.665 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.961 -4.320 8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.810 -4.276 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.808 -2.842 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.866 -2.378 7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.791 -1.170 6.372 1.00 0.00 H new ATOM 1364 N ASN A 93 0.376 -2.558 11.166 1.00 0.00 N ATOM 1365 CA ASN A 93 1.092 -3.144 12.293 1.00 0.00 C ATOM 1366 C ASN A 93 1.357 -4.628 12.058 1.00 0.00 C ATOM 1367 O ASN A 93 0.426 -5.427 11.953 1.00 0.00 O ATOM 1368 CB ASN A 93 0.294 -2.956 13.585 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.482 -1.653 13.600 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.016 -0.626 14.063 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.709 -1.689 13.093 1.00 0.00 N ATOM 0 H ASN A 93 -0.602 -2.338 11.356 1.00 0.00 H new ATOM 0 HA ASN A 93 2.050 -2.632 12.387 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.398 -3.789 13.706 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.974 -2.980 14.436 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.279 -0.843 13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.081 -2.562 12.720 1.00 0.00 H new ATOM 1378 N VAL A 94 2.634 -4.990 11.976 1.00 0.00 N ATOM 1379 CA VAL A 94 3.022 -6.378 11.754 1.00 0.00 C ATOM 1380 C VAL A 94 3.666 -6.974 13.001 1.00 0.00 C ATOM 1381 O VAL A 94 4.439 -6.310 13.690 1.00 0.00 O ATOM 1382 CB VAL A 94 4.002 -6.505 10.573 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.223 -7.967 10.218 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.489 -5.727 9.370 1.00 0.00 C ATOM 0 H VAL A 94 3.417 -4.341 12.060 1.00 0.00 H new ATOM 0 HA VAL A 94 2.111 -6.928 11.520 1.00 0.00 H new ATOM 0 HB VAL A 94 4.960 -6.079 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.918 -8.037 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.637 -8.492 11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.272 -8.421 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.194 -5.827 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.518 -6.121 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.387 -4.674 9.634 1.00 0.00 H new ATOM 1394 N ASN A 95 3.342 -8.232 13.284 1.00 0.00 N ATOM 1395 CA ASN A 95 3.889 -8.918 14.449 1.00 0.00 C ATOM 1396 C ASN A 95 5.343 -9.317 14.212 1.00 0.00 C ATOM 1397 O ASN A 95 5.624 -10.304 13.534 1.00 0.00 O ATOM 1398 CB ASN A 95 3.055 -10.159 14.774 1.00 0.00 C ATOM 1399 CG ASN A 95 1.875 -9.843 15.673 1.00 0.00 C ATOM 1400 OD1 ASN A 95 1.738 -8.722 16.165 1.00 0.00 O ATOM 1401 ND2 ASN A 95 1.016 -10.831 15.891 1.00 0.00 N ATOM 0 H ASN A 95 2.704 -8.796 12.723 1.00 0.00 H new ATOM 0 HA ASN A 95 3.852 -8.231 15.295 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.693 -10.603 13.847 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.688 -10.903 15.258 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.203 -10.677 16.487 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.169 -11.744 15.463 1.00 0.00 H new ATOM 1408 N GLY A 96 6.263 -8.541 14.777 1.00 0.00 N ATOM 1409 CA GLY A 96 7.676 -8.830 14.616 1.00 0.00 C ATOM 1410 C GLY A 96 8.411 -7.732 13.873 1.00 0.00 C ATOM 1411 O GLY A 96 9.334 -7.119 14.410 1.00 0.00 O ATOM 0 H GLY A 96 6.055 -7.718 15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.130 -8.967 15.597 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.792 -9.770 14.077 1.00 0.00 H new ATOM 1415 N SER A 97 8.003 -7.484 12.632 1.00 0.00 N ATOM 1416 CA SER A 97 8.633 -6.456 11.812 1.00 0.00 C ATOM 1417 C SER A 97 8.975 -5.227 12.648 1.00 0.00 C ATOM 1418 O SER A 97 8.268 -4.870 13.591 1.00 0.00 O ATOM 1419 CB SER A 97 7.712 -6.061 10.656 1.00 0.00 C ATOM 1420 OG SER A 97 6.898 -4.956 11.008 1.00 0.00 O ATOM 0 H SER A 97 7.239 -7.981 12.173 1.00 0.00 H new ATOM 0 HA SER A 97 9.558 -6.866 11.407 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.310 -5.812 9.779 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.083 -6.908 10.382 1.00 0.00 H new ATOM 0 HG SER A 97 7.119 -4.192 10.436 1.00 0.00 H new ATOM 1426 N PRO A 98 10.085 -4.563 12.296 1.00 0.00 N ATOM 1427 CA PRO A 98 10.547 -3.363 13.000 1.00 0.00 C ATOM 1428 C PRO A 98 9.636 -2.163 12.761 1.00 0.00 C ATOM 1429 O PRO A 98 9.298 -1.434 13.692 1.00 0.00 O ATOM 1430 CB PRO A 98 11.933 -3.110 12.400 1.00 0.00 C ATOM 1431 CG PRO A 98 11.881 -3.738 11.050 1.00 0.00 C ATOM 1432 CD PRO A 98 10.976 -4.932 11.183 1.00 0.00 C ATOM 0 HA PRO A 98 10.555 -3.503 14.081 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.147 -2.043 12.333 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.717 -3.554 13.013 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.497 -3.038 10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.876 -4.037 10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.417 -5.117 10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.538 -5.840 11.402 1.00 0.00 H new ATOM 1440 N GLU A 99 9.242 -1.966 11.506 1.00 0.00 N ATOM 1441 CA GLU A 99 8.371 -0.855 11.146 1.00 0.00 C ATOM 1442 C GLU A 99 7.210 -1.332 10.278 1.00 0.00 C ATOM 1443 O GLU A 99 7.338 -2.264 9.483 1.00 0.00 O ATOM 1444 CB GLU A 99 9.164 0.225 10.406 1.00 0.00 C ATOM 1445 CG GLU A 99 10.192 0.929 11.277 1.00 0.00 C ATOM 1446 CD GLU A 99 11.051 1.902 10.493 1.00 0.00 C ATOM 1447 OE1 GLU A 99 11.720 1.464 9.534 1.00 0.00 O ATOM 1448 OE2 GLU A 99 11.053 3.102 10.840 1.00 0.00 O ATOM 0 H GLU A 99 9.512 -2.561 10.723 1.00 0.00 H new ATOM 0 HA GLU A 99 7.965 -0.433 12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.671 -0.228 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.470 0.965 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.680 1.465 12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.832 0.185 11.751 1.00 0.00 H new ATOM 1455 N PRO A 100 6.048 -0.681 10.434 1.00 0.00 N ATOM 1456 CA PRO A 100 4.842 -1.021 9.674 1.00 0.00 C ATOM 1457 C PRO A 100 4.963 -0.654 8.198 1.00 0.00 C ATOM 1458 O PRO A 100 5.775 0.192 7.824 1.00 0.00 O ATOM 1459 CB PRO A 100 3.751 -0.183 10.345 1.00 0.00 C ATOM 1460 CG PRO A 100 4.477 0.969 10.951 1.00 0.00 C ATOM 1461 CD PRO A 100 5.823 0.439 11.363 1.00 0.00 C ATOM 0 HA PRO A 100 4.643 -2.093 9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.009 0.153 9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.219 -0.759 11.103 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.581 1.785 10.236 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.934 1.365 11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.599 1.199 11.272 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.823 0.106 12.401 1.00 0.00 H new ATOM 1469 N VAL A 101 4.150 -1.295 7.365 1.00 0.00 N ATOM 1470 CA VAL A 101 4.165 -1.034 5.930 1.00 0.00 C ATOM 1471 C VAL A 101 3.443 0.267 5.601 1.00 0.00 C ATOM 1472 O VAL A 101 2.214 0.315 5.558 1.00 0.00 O ATOM 1473 CB VAL A 101 3.510 -2.186 5.144 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.213 -1.755 3.716 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.402 -3.418 5.163 1.00 0.00 C ATOM 0 H VAL A 101 3.473 -1.999 7.659 1.00 0.00 H new ATOM 0 HA VAL A 101 5.211 -0.950 5.634 1.00 0.00 H new ATOM 0 HB VAL A 101 2.566 -2.442 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.751 -2.581 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.533 -0.903 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.142 -1.472 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.924 -4.222 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.362 -3.179 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.560 -3.737 6.193 1.00 0.00 H new ATOM 1485 N LYS A 102 4.215 1.323 5.367 1.00 0.00 N ATOM 1486 CA LYS A 102 3.651 2.627 5.039 1.00 0.00 C ATOM 1487 C LYS A 102 2.829 2.556 3.756 1.00 0.00 C ATOM 1488 O LYS A 102 3.191 1.852 2.812 1.00 0.00 O ATOM 1489 CB LYS A 102 4.766 3.664 4.887 1.00 0.00 C ATOM 1490 CG LYS A 102 4.281 5.006 4.365 1.00 0.00 C ATOM 1491 CD LYS A 102 3.716 5.867 5.482 1.00 0.00 C ATOM 1492 CE LYS A 102 4.819 6.593 6.238 1.00 0.00 C ATOM 1493 NZ LYS A 102 4.337 7.134 7.539 1.00 0.00 N ATOM 0 H LYS A 102 5.234 1.301 5.399 1.00 0.00 H new ATOM 0 HA LYS A 102 2.994 2.927 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.247 3.812 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.525 3.273 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.106 5.530 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.516 4.847 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.019 6.594 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.150 5.243 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.649 5.909 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.203 7.409 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.100 7.075 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.054 8.127 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.521 6.578 7.865 1.00 0.00 H new ATOM 1507 N LEU A 103 1.723 3.291 3.726 1.00 0.00 N ATOM 1508 CA LEU A 103 0.850 3.313 2.557 1.00 0.00 C ATOM 1509 C LEU A 103 0.289 4.712 2.324 1.00 0.00 C ATOM 1510 O LEU A 103 -0.581 5.176 3.062 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.295 2.314 2.732 1.00 0.00 C ATOM 1512 CG LEU A 103 -1.269 2.198 1.559 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.553 1.684 0.320 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.433 1.287 1.922 1.00 0.00 C ATOM 0 H LEU A 103 1.409 3.880 4.498 1.00 0.00 H new ATOM 0 HA LEU A 103 1.441 3.029 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.134 1.330 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.860 2.592 3.622 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.664 3.190 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.262 1.608 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.246 2.374 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.129 0.701 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.117 1.216 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.055 0.295 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.962 1.698 2.782 1.00 0.00 H new ATOM 1526 N THR A 104 0.790 5.380 1.289 1.00 0.00 N ATOM 1527 CA THR A 104 0.338 6.725 0.957 1.00 0.00 C ATOM 1528 C THR A 104 -0.707 6.696 -0.153 1.00 0.00 C ATOM 1529 O THR A 104 -0.551 5.985 -1.146 1.00 0.00 O ATOM 1530 CB THR A 104 1.512 7.620 0.517 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.529 7.625 1.526 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.041 9.043 0.258 1.00 0.00 C ATOM 0 H THR A 104 1.509 5.011 0.667 1.00 0.00 H new ATOM 0 HA THR A 104 -0.107 7.140 1.861 1.00 0.00 H new ATOM 0 HB THR A 104 1.921 7.216 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.273 8.195 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.888 9.656 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.288 9.039 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.609 9.455 1.170 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.771 7.472 0.022 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.841 7.536 -0.966 1.00 0.00 C ATOM 1542 C ILE A 105 -3.159 8.979 -1.339 1.00 0.00 C ATOM 1543 O ILE A 105 -3.606 9.763 -0.502 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.123 6.855 -0.452 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.893 5.353 -0.275 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.278 7.111 -1.409 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.961 4.672 0.553 1.00 0.00 C ATOM 0 H ILE A 105 -1.915 8.065 0.839 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.487 7.005 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.379 7.280 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.850 4.882 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.923 5.195 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.177 6.624 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.453 8.184 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.032 6.709 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.734 3.609 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.989 5.117 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.931 4.799 0.071 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.928 9.323 -2.602 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.191 10.673 -3.087 1.00 0.00 C ATOM 1561 C ARG A 106 -4.411 10.694 -4.002 1.00 0.00 C ATOM 1562 O ARG A 106 -4.635 9.765 -4.777 1.00 0.00 O ATOM 1563 CB ARG A 106 -1.971 11.216 -3.833 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.792 10.623 -5.221 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.497 11.092 -5.864 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.624 12.428 -6.440 1.00 0.00 N ATOM 1567 CZ ARG A 106 0.414 13.168 -6.816 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.648 12.703 -6.680 1.00 0.00 N ATOM 1569 NH2 ARG A 106 0.217 14.375 -7.332 1.00 0.00 N ATOM 0 H ARG A 106 -2.559 8.686 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.394 11.309 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.060 12.299 -3.919 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.076 11.016 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.794 9.535 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.636 10.906 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.298 11.093 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.203 10.388 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.560 12.814 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.803 11.775 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.443 13.273 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.731 14.735 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.014 14.943 -7.620 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.199 11.760 -3.906 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.388 11.882 -4.730 1.00 0.00 C ATOM 1585 C GLY A 107 -7.004 13.265 -4.658 1.00 0.00 C ATOM 1586 O GLY A 107 -6.478 14.152 -3.984 1.00 0.00 O ATOM 0 H GLY A 107 -5.035 12.542 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.134 11.654 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.124 11.143 -4.413 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.119 13.451 -5.356 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.806 14.737 -5.371 1.00 0.00 C ATOM 1592 C CYS A 108 -10.319 14.546 -5.342 1.00 0.00 C ATOM 1593 O CYS A 108 -10.862 13.699 -6.051 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.405 15.539 -6.610 1.00 0.00 C ATOM 1595 SG CYS A 108 -9.181 17.168 -6.719 1.00 0.00 S ATOM 0 H CYS A 108 -8.566 12.727 -5.919 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.510 15.289 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.322 15.663 -6.614 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.663 14.965 -7.500 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.778 17.769 -7.799 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.995 15.338 -4.515 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.445 15.256 -4.393 1.00 0.00 C ATOM 1603 C VAL A 109 -13.123 16.426 -5.097 1.00 0.00 C ATOM 1604 O VAL A 109 -12.898 17.586 -4.751 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.883 15.235 -2.916 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.384 15.010 -2.808 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.119 14.168 -2.149 1.00 0.00 C ATOM 0 H VAL A 109 -10.561 16.044 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.751 14.324 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.652 16.203 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.675 14.998 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.910 15.815 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.643 14.056 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.441 14.168 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.316 13.191 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.051 14.379 -2.198 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.955 16.113 -6.085 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.667 17.139 -6.836 1.00 0.00 C ATOM 1619 C ILE A 110 -16.163 16.848 -6.882 1.00 0.00 C ATOM 1620 O ILE A 110 -16.589 15.705 -6.718 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.134 17.254 -8.277 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.366 15.945 -9.035 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.656 17.612 -8.267 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.309 16.100 -10.539 1.00 0.00 C ATOM 0 H ILE A 110 -14.152 15.158 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.498 18.083 -6.318 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.677 18.049 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.617 15.217 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.339 15.540 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.294 17.690 -9.292 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.516 18.566 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.097 16.837 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.482 15.133 -11.011 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -15.076 16.804 -10.862 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.328 16.475 -10.829 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.957 17.890 -7.107 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.398 17.725 -7.172 1.00 0.00 C ATOM 1638 C GLY A 111 -19.003 18.387 -8.394 1.00 0.00 C ATOM 1639 O GLY A 111 -18.328 19.097 -9.140 1.00 0.00 O ATOM 0 H GLY A 111 -16.629 18.846 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.639 16.662 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.850 18.146 -6.274 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.305 18.154 -8.614 1.00 0.00 N ATOM 1644 CA PRO A 112 -21.029 18.723 -9.755 1.00 0.00 C ATOM 1645 C PRO A 112 -21.219 20.231 -9.627 1.00 0.00 C ATOM 1646 O PRO A 112 -20.296 21.006 -9.876 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.382 18.008 -9.709 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.553 17.612 -8.283 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.171 17.319 -7.766 1.00 0.00 C ATOM 0 HA PRO A 112 -20.489 18.583 -10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.188 18.664 -10.037 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.392 17.138 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -23.023 18.411 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.196 16.736 -8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -21.073 17.579 -6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.924 16.261 -7.858 1.00 0.00 H new TER 1657 PRO A 112