USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 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 51 THR OG1 : rot 91:sc= 0.958 USER MOD Set 1.2: A 52 HIS : no HD1:sc= -2.5! C(o=-1.5!,f=-11!) 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 34:sc= 0.901 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.96 K(o=-3,f=-4.7!) USER MOD Single : A 16 CYS SG : rot 51:sc= 1.03 USER MOD Single : A 19 SER OG : rot -177:sc= -2.47! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.023) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -157:sc= -0.0314 (180deg=-0.67) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -19:sc= 0.364 USER MOD Single : A 37 MET CE :methyl -105:sc= -0.079 (180deg=-0.775) USER MOD Single : A 38 GLN : amide:sc= -0.8 K(o=-0.8,f=-2.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -91:sc= -0.0808 USER MOD Single : A 58 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.0075) USER MOD Single : A 59 THR OG1 : rot -47:sc= 0.642 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= -0.0368 (180deg=-0.389) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -5.68! K(o=-5.7!,f=-4.2) USER MOD Single : A 82 SER OG : rot 89:sc= 0.197 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl -159:sc= -4! (180deg=-5.98!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 93 MET CE :methyl 158:sc= -0.0445 (180deg=-0.329) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00992 USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= -0.0584 (180deg=-0.413) USER MOD Single : A 100 ASN : amide:sc= -0.0394 K(o=-0.039,f=-0.82) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.079 29.306 -5.590 1.00 0.00 N ATOM 2 CA GLY A 1 -17.733 28.546 -4.403 1.00 0.00 C ATOM 3 C GLY A 1 -16.965 29.372 -3.390 1.00 0.00 C ATOM 4 O GLY A 1 -16.094 30.161 -3.754 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.603 28.698 -6.251 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.672 30.117 -5.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.211 29.649 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.644 28.165 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.135 27.681 -4.690 1.00 0.00 H new ATOM 8 N SER A 2 -17.291 29.191 -2.114 1.00 0.00 N ATOM 9 CA SER A 2 -16.630 29.930 -1.044 1.00 0.00 C ATOM 10 C SER A 2 -15.862 28.984 -0.125 1.00 0.00 C ATOM 11 O SER A 2 -15.283 29.407 0.875 1.00 0.00 O ATOM 12 CB SER A 2 -17.656 30.725 -0.235 1.00 0.00 C ATOM 13 OG SER A 2 -18.669 29.877 0.277 1.00 0.00 O ATOM 0 H SER A 2 -18.008 28.539 -1.796 1.00 0.00 H new ATOM 0 HA SER A 2 -15.921 30.623 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.157 31.238 0.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.104 31.493 -0.865 1.00 0.00 H new ATOM 0 HG SER A 2 -19.312 30.409 0.792 1.00 0.00 H new ATOM 19 N SER A 3 -15.863 27.701 -0.472 1.00 0.00 N ATOM 20 CA SER A 3 -15.171 26.694 0.323 1.00 0.00 C ATOM 21 C SER A 3 -14.184 25.908 -0.536 1.00 0.00 C ATOM 22 O SER A 3 -14.534 25.411 -1.605 1.00 0.00 O ATOM 23 CB SER A 3 -16.179 25.739 0.965 1.00 0.00 C ATOM 24 OG SER A 3 -15.528 24.791 1.793 1.00 0.00 O ATOM 0 H SER A 3 -16.335 27.335 -1.298 1.00 0.00 H new ATOM 0 HA SER A 3 -14.615 27.206 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.899 26.307 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.741 25.222 0.187 1.00 0.00 H new ATOM 0 HG SER A 3 -16.194 24.194 2.193 1.00 0.00 H new ATOM 30 N GLY A 4 -12.948 25.799 -0.058 1.00 0.00 N ATOM 31 CA GLY A 4 -11.930 25.073 -0.793 1.00 0.00 C ATOM 32 C GLY A 4 -10.579 25.760 -0.743 1.00 0.00 C ATOM 33 O GLY A 4 -10.427 26.882 -1.224 1.00 0.00 O ATOM 0 H GLY A 4 -12.634 26.201 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.838 24.067 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.242 24.967 -1.832 1.00 0.00 H new ATOM 37 N SER A 5 -9.595 25.084 -0.158 1.00 0.00 N ATOM 38 CA SER A 5 -8.251 25.638 -0.042 1.00 0.00 C ATOM 39 C SER A 5 -7.423 25.321 -1.284 1.00 0.00 C ATOM 40 O SER A 5 -7.047 24.172 -1.516 1.00 0.00 O ATOM 41 CB SER A 5 -7.554 25.086 1.203 1.00 0.00 C ATOM 42 OG SER A 5 -7.362 23.686 1.101 1.00 0.00 O ATOM 0 H SER A 5 -9.703 24.152 0.243 1.00 0.00 H new ATOM 0 HA SER A 5 -8.338 26.721 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.591 25.580 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.150 25.311 2.087 1.00 0.00 H new ATOM 0 HG SER A 5 -7.199 23.446 0.165 1.00 0.00 H new ATOM 48 N SER A 6 -7.145 26.348 -2.081 1.00 0.00 N ATOM 49 CA SER A 6 -6.365 26.179 -3.301 1.00 0.00 C ATOM 50 C SER A 6 -5.188 25.237 -3.069 1.00 0.00 C ATOM 51 O SER A 6 -4.685 25.118 -1.952 1.00 0.00 O ATOM 52 CB SER A 6 -5.858 27.534 -3.799 1.00 0.00 C ATOM 53 OG SER A 6 -6.936 28.400 -4.110 1.00 0.00 O ATOM 0 H SER A 6 -7.448 27.306 -1.904 1.00 0.00 H new ATOM 0 HA SER A 6 -7.014 25.740 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.228 27.992 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.236 27.391 -4.683 1.00 0.00 H new ATOM 0 HG SER A 6 -6.585 29.259 -4.424 1.00 0.00 H new ATOM 59 N GLY A 7 -4.754 24.569 -4.133 1.00 0.00 N ATOM 60 CA GLY A 7 -3.640 23.645 -4.025 1.00 0.00 C ATOM 61 C GLY A 7 -4.089 22.199 -3.967 1.00 0.00 C ATOM 62 O GLY A 7 -4.001 21.555 -2.922 1.00 0.00 O ATOM 0 H GLY A 7 -5.154 24.651 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.975 23.782 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.063 23.879 -3.130 1.00 0.00 H new ATOM 66 N PHE A 8 -4.574 21.686 -5.094 1.00 0.00 N ATOM 67 CA PHE A 8 -5.042 20.307 -5.166 1.00 0.00 C ATOM 68 C PHE A 8 -3.866 19.334 -5.194 1.00 0.00 C ATOM 69 O PHE A 8 -3.091 19.306 -6.151 1.00 0.00 O ATOM 70 CB PHE A 8 -5.913 20.106 -6.408 1.00 0.00 C ATOM 71 CG PHE A 8 -6.942 21.184 -6.598 1.00 0.00 C ATOM 72 CD1 PHE A 8 -8.176 21.100 -5.973 1.00 0.00 C ATOM 73 CD2 PHE A 8 -6.676 22.280 -7.402 1.00 0.00 C ATOM 74 CE1 PHE A 8 -9.125 22.090 -6.146 1.00 0.00 C ATOM 75 CE2 PHE A 8 -7.621 23.274 -7.578 1.00 0.00 C ATOM 76 CZ PHE A 8 -8.847 23.178 -6.950 1.00 0.00 C ATOM 0 H PHE A 8 -4.653 22.205 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.638 20.105 -4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.272 20.067 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.417 19.142 -6.337 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.399 20.251 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.719 22.359 -7.897 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.083 22.013 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.400 24.125 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.587 23.952 -7.087 1.00 0.00 H new ATOM 86 N LYS A 9 -3.739 18.538 -4.138 1.00 0.00 N ATOM 87 CA LYS A 9 -2.660 17.563 -4.039 1.00 0.00 C ATOM 88 C LYS A 9 -3.151 16.168 -4.411 1.00 0.00 C ATOM 89 O LYS A 9 -4.353 15.936 -4.539 1.00 0.00 O ATOM 90 CB LYS A 9 -2.083 17.552 -2.622 1.00 0.00 C ATOM 91 CG LYS A 9 -1.106 18.683 -2.353 1.00 0.00 C ATOM 92 CD LYS A 9 0.225 18.445 -3.046 1.00 0.00 C ATOM 93 CE LYS A 9 0.965 19.751 -3.295 1.00 0.00 C ATOM 94 NZ LYS A 9 2.431 19.539 -3.445 1.00 0.00 N ATOM 0 H LYS A 9 -4.371 18.549 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.878 17.852 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.902 17.613 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.580 16.600 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.534 19.624 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.946 18.780 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.842 17.787 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.057 17.934 -3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.573 20.224 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.780 20.436 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.898 20.453 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.810 19.111 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.610 18.905 -4.250 1.00 0.00 H new ATOM 108 N VAL A 10 -2.213 15.241 -4.583 1.00 0.00 N ATOM 109 CA VAL A 10 -2.551 13.868 -4.937 1.00 0.00 C ATOM 110 C VAL A 10 -2.101 12.894 -3.854 1.00 0.00 C ATOM 111 O VAL A 10 -0.943 12.886 -3.435 1.00 0.00 O ATOM 112 CB VAL A 10 -1.911 13.461 -6.278 1.00 0.00 C ATOM 113 CG1 VAL A 10 -1.972 11.952 -6.462 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.595 14.175 -7.433 1.00 0.00 C ATOM 0 H VAL A 10 -1.213 15.417 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.636 13.823 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.863 13.760 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.515 11.683 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.432 11.464 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.012 11.626 -6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.130 13.876 -8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.652 13.909 -7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.494 15.253 -7.306 1.00 0.00 H new ATOM 124 N PRO A 11 -3.035 12.052 -3.390 1.00 0.00 N ATOM 125 CA PRO A 11 -2.757 11.056 -2.350 1.00 0.00 C ATOM 126 C PRO A 11 -1.854 9.934 -2.849 1.00 0.00 C ATOM 127 O PRO A 11 -1.748 9.676 -4.048 1.00 0.00 O ATOM 128 CB PRO A 11 -4.145 10.511 -2.002 1.00 0.00 C ATOM 129 CG PRO A 11 -4.960 10.739 -3.227 1.00 0.00 C ATOM 130 CD PRO A 11 -4.435 12.006 -3.844 1.00 0.00 C ATOM 0 HA PRO A 11 -2.229 11.489 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.102 9.452 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.569 11.029 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.868 9.901 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.017 10.834 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.504 11.982 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.995 12.879 -3.508 1.00 0.00 H new ATOM 138 N PRO A 12 -1.186 9.249 -1.909 1.00 0.00 N ATOM 139 CA PRO A 12 -0.279 8.142 -2.229 1.00 0.00 C ATOM 140 C PRO A 12 -1.024 6.912 -2.736 1.00 0.00 C ATOM 141 O PRO A 12 -0.416 5.978 -3.259 1.00 0.00 O ATOM 142 CB PRO A 12 0.401 7.842 -0.891 1.00 0.00 C ATOM 143 CG PRO A 12 -0.565 8.313 0.139 1.00 0.00 C ATOM 144 CD PRO A 12 -1.264 9.502 -0.460 1.00 0.00 C ATOM 0 HA PRO A 12 0.417 8.402 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.608 6.777 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.355 8.362 -0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.278 7.528 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.050 8.586 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.297 9.574 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.773 10.436 -0.188 1.00 0.00 H new ATOM 152 N PHE A 13 -2.343 6.917 -2.577 1.00 0.00 N ATOM 153 CA PHE A 13 -3.171 5.801 -3.018 1.00 0.00 C ATOM 154 C PHE A 13 -4.208 6.262 -4.038 1.00 0.00 C ATOM 155 O PHE A 13 -5.251 5.631 -4.207 1.00 0.00 O ATOM 156 CB PHE A 13 -3.870 5.153 -1.821 1.00 0.00 C ATOM 157 CG PHE A 13 -2.921 4.662 -0.766 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.750 4.011 -1.117 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.200 4.852 0.578 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.874 3.559 -0.148 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.328 4.402 1.551 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.164 3.754 1.188 1.00 0.00 C ATOM 0 H PHE A 13 -2.862 7.682 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.522 5.066 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.554 5.875 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.474 4.317 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.519 3.855 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.109 5.357 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.036 3.054 -0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.557 4.557 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.482 3.400 1.947 1.00 0.00 H new ATOM 172 N GLN A 14 -3.912 7.366 -4.716 1.00 0.00 N ATOM 173 CA GLN A 14 -4.818 7.913 -5.718 1.00 0.00 C ATOM 174 C GLN A 14 -5.185 6.856 -6.755 1.00 0.00 C ATOM 175 O GLN A 14 -4.311 6.257 -7.381 1.00 0.00 O ATOM 176 CB GLN A 14 -4.181 9.121 -6.408 1.00 0.00 C ATOM 177 CG GLN A 14 -5.146 9.896 -7.291 1.00 0.00 C ATOM 178 CD GLN A 14 -5.174 9.383 -8.717 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.241 9.127 -9.276 1.00 0.00 O ATOM 180 NE2 GLN A 14 -3.998 9.229 -9.314 1.00 0.00 N ATOM 0 H GLN A 14 -3.052 7.899 -4.589 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.729 8.231 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.778 9.791 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.340 8.782 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.149 9.835 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.864 10.949 -7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.138 9.454 -8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.954 8.886 -10.274 1.00 0.00 H new ATOM 189 N ASP A 15 -6.483 6.631 -6.929 1.00 0.00 N ATOM 190 CA ASP A 15 -6.966 5.646 -7.890 1.00 0.00 C ATOM 191 C ASP A 15 -6.162 4.353 -7.794 1.00 0.00 C ATOM 192 O ASP A 15 -5.860 3.721 -8.807 1.00 0.00 O ATOM 193 CB ASP A 15 -6.885 6.207 -9.311 1.00 0.00 C ATOM 194 CG ASP A 15 -8.032 7.146 -9.629 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.591 7.742 -8.684 1.00 0.00 O ATOM 196 OD2 ASP A 15 -8.370 7.286 -10.823 1.00 0.00 O ATOM 0 H ASP A 15 -7.219 7.117 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.007 5.424 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.940 6.736 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.885 5.383 -10.024 1.00 0.00 H new ATOM 201 N CYS A 16 -5.818 3.967 -6.570 1.00 0.00 N ATOM 202 CA CYS A 16 -5.047 2.750 -6.341 1.00 0.00 C ATOM 203 C CYS A 16 -5.739 1.851 -5.321 1.00 0.00 C ATOM 204 O CYS A 16 -5.854 2.203 -4.147 1.00 0.00 O ATOM 205 CB CYS A 16 -3.638 3.097 -5.860 1.00 0.00 C ATOM 206 SG CYS A 16 -2.643 3.994 -7.074 1.00 0.00 S ATOM 0 H CYS A 16 -6.061 4.479 -5.722 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.978 2.210 -7.286 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.713 3.697 -4.953 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.120 2.176 -5.591 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.318 5.010 -7.522 1.00 0.00 H new ATOM 212 N ILE A 17 -6.200 0.692 -5.778 1.00 0.00 N ATOM 213 CA ILE A 17 -6.882 -0.256 -4.906 1.00 0.00 C ATOM 214 C ILE A 17 -5.905 -1.278 -4.335 1.00 0.00 C ATOM 215 O ILE A 17 -4.993 -1.735 -5.026 1.00 0.00 O ATOM 216 CB ILE A 17 -8.007 -0.998 -5.651 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.866 -0.008 -6.439 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.863 -1.785 -4.669 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.716 -0.661 -7.507 1.00 0.00 C ATOM 0 H ILE A 17 -6.114 0.387 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.318 0.322 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.556 -1.699 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.515 0.528 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.217 0.733 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.654 -2.304 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.242 -2.513 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.307 -1.102 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.298 0.101 -8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.072 -1.174 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.391 -1.381 -7.045 1.00 0.00 H new ATOM 231 N LEU A 18 -6.102 -1.635 -3.071 1.00 0.00 N ATOM 232 CA LEU A 18 -5.240 -2.606 -2.406 1.00 0.00 C ATOM 233 C LEU A 18 -6.054 -3.536 -1.513 1.00 0.00 C ATOM 234 O LEU A 18 -7.142 -3.181 -1.058 1.00 0.00 O ATOM 235 CB LEU A 18 -4.174 -1.887 -1.577 1.00 0.00 C ATOM 236 CG LEU A 18 -3.621 -0.592 -2.172 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.444 0.601 -1.711 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.158 -0.412 -1.793 1.00 0.00 C ATOM 0 H LEU A 18 -6.852 -1.266 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.751 -3.206 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.595 -1.662 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.343 -2.574 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.688 -0.656 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.036 1.514 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.478 0.477 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.409 0.669 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.782 0.515 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.066 -0.370 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.577 -1.252 -2.174 1.00 0.00 H new ATOM 250 N SER A 19 -5.519 -4.727 -1.264 1.00 0.00 N ATOM 251 CA SER A 19 -6.197 -5.709 -0.425 1.00 0.00 C ATOM 252 C SER A 19 -5.286 -6.180 0.704 1.00 0.00 C ATOM 253 O SER A 19 -4.062 -6.083 0.612 1.00 0.00 O ATOM 254 CB SER A 19 -6.647 -6.905 -1.266 1.00 0.00 C ATOM 255 OG SER A 19 -5.644 -7.282 -2.194 1.00 0.00 O ATOM 0 H SER A 19 -4.619 -5.035 -1.631 1.00 0.00 H new ATOM 0 HA SER A 19 -7.074 -5.233 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.878 -7.747 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.564 -6.654 -1.799 1.00 0.00 H new ATOM 0 HG SER A 19 -5.973 -8.018 -2.751 1.00 0.00 H new ATOM 261 N PHE A 20 -5.892 -6.692 1.770 1.00 0.00 N ATOM 262 CA PHE A 20 -5.137 -7.178 2.919 1.00 0.00 C ATOM 263 C PHE A 20 -5.541 -8.607 3.270 1.00 0.00 C ATOM 264 O PHE A 20 -6.708 -8.884 3.547 1.00 0.00 O ATOM 265 CB PHE A 20 -5.357 -6.263 4.126 1.00 0.00 C ATOM 266 CG PHE A 20 -5.215 -4.803 3.804 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.986 -4.276 3.440 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.310 -3.956 3.867 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.852 -2.933 3.143 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.182 -2.612 3.570 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.951 -2.100 3.210 1.00 0.00 C ATOM 0 H PHE A 20 -6.904 -6.781 1.862 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.079 -7.172 2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.353 -6.442 4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.643 -6.526 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.123 -4.923 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.274 -4.350 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.889 -2.536 2.859 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.044 -1.963 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.848 -1.050 2.981 1.00 0.00 H new ATOM 281 N LEU A 21 -4.567 -9.511 3.256 1.00 0.00 N ATOM 282 CA LEU A 21 -4.819 -10.912 3.572 1.00 0.00 C ATOM 283 C LEU A 21 -3.932 -11.380 4.721 1.00 0.00 C ATOM 284 O LEU A 21 -2.732 -11.110 4.742 1.00 0.00 O ATOM 285 CB LEU A 21 -4.578 -11.785 2.339 1.00 0.00 C ATOM 286 CG LEU A 21 -4.442 -13.286 2.596 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.809 -13.916 2.816 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.722 -13.962 1.438 1.00 0.00 C ATOM 0 H LEU A 21 -3.596 -9.298 3.029 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.860 -11.007 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.401 -11.629 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.671 -11.438 1.844 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.849 -13.428 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.692 -14.984 2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.289 -13.452 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.427 -13.764 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.634 -15.030 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.288 -13.810 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.727 -13.531 1.326 1.00 0.00 H new ATOM 300 N GLY A 22 -4.531 -12.084 5.677 1.00 0.00 N ATOM 301 CA GLY A 22 -3.780 -12.580 6.815 1.00 0.00 C ATOM 302 C GLY A 22 -4.168 -11.893 8.109 1.00 0.00 C ATOM 303 O GLY A 22 -4.499 -12.552 9.096 1.00 0.00 O ATOM 0 H GLY A 22 -5.523 -12.320 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.943 -13.653 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.715 -12.434 6.635 1.00 0.00 H new ATOM 307 N PHE A 23 -4.127 -10.564 8.108 1.00 0.00 N ATOM 308 CA PHE A 23 -4.475 -9.787 9.292 1.00 0.00 C ATOM 309 C PHE A 23 -5.904 -10.086 9.738 1.00 0.00 C ATOM 310 O PHE A 23 -6.740 -10.506 8.938 1.00 0.00 O ATOM 311 CB PHE A 23 -4.318 -8.292 9.010 1.00 0.00 C ATOM 312 CG PHE A 23 -3.057 -7.950 8.270 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.033 -7.936 6.885 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.895 -7.644 8.959 1.00 0.00 C ATOM 315 CE1 PHE A 23 -1.874 -7.621 6.200 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.733 -7.328 8.280 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.722 -7.318 6.899 1.00 0.00 C ATOM 0 H PHE A 23 -3.856 -10.003 7.300 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.796 -10.071 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.174 -7.948 8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.334 -7.749 9.955 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.931 -8.174 6.334 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.897 -7.652 10.039 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.870 -7.612 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.166 -7.089 8.829 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.185 -7.074 6.367 1.00 0.00 H new ATOM 327 N SER A 24 -6.175 -9.866 11.020 1.00 0.00 N ATOM 328 CA SER A 24 -7.500 -10.114 11.575 1.00 0.00 C ATOM 329 C SER A 24 -8.457 -8.979 11.226 1.00 0.00 C ATOM 330 O SER A 24 -8.049 -7.823 11.105 1.00 0.00 O ATOM 331 CB SER A 24 -7.418 -10.278 13.094 1.00 0.00 C ATOM 332 OG SER A 24 -6.693 -11.445 13.442 1.00 0.00 O ATOM 0 H SER A 24 -5.494 -9.516 11.694 1.00 0.00 H new ATOM 0 HA SER A 24 -7.883 -11.036 11.137 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.937 -9.403 13.532 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.423 -10.332 13.512 1.00 0.00 H new ATOM 0 HG SER A 24 -6.653 -11.527 14.418 1.00 0.00 H new ATOM 338 N ASP A 25 -9.732 -9.316 11.064 1.00 0.00 N ATOM 339 CA ASP A 25 -10.749 -8.326 10.730 1.00 0.00 C ATOM 340 C ASP A 25 -10.461 -6.997 11.421 1.00 0.00 C ATOM 341 O ASP A 25 -10.749 -5.930 10.879 1.00 0.00 O ATOM 342 CB ASP A 25 -12.135 -8.833 11.129 1.00 0.00 C ATOM 343 CG ASP A 25 -12.250 -9.094 12.618 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.209 -9.350 13.257 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.382 -9.044 13.144 1.00 0.00 O ATOM 0 H ASP A 25 -10.086 -10.268 11.159 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.726 -8.167 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.886 -8.100 10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.353 -9.752 10.584 1.00 0.00 H new ATOM 350 N GLU A 26 -9.893 -7.070 12.621 1.00 0.00 N ATOM 351 CA GLU A 26 -9.569 -5.872 13.387 1.00 0.00 C ATOM 352 C GLU A 26 -8.399 -5.123 12.755 1.00 0.00 C ATOM 353 O GLU A 26 -8.536 -3.970 12.346 1.00 0.00 O ATOM 354 CB GLU A 26 -9.231 -6.240 14.833 1.00 0.00 C ATOM 355 CG GLU A 26 -10.455 -6.467 15.705 1.00 0.00 C ATOM 356 CD GLU A 26 -10.188 -6.183 17.170 1.00 0.00 C ATOM 357 OE1 GLU A 26 -10.040 -4.996 17.528 1.00 0.00 O ATOM 358 OE2 GLU A 26 -10.127 -7.149 17.959 1.00 0.00 O ATOM 0 H GLU A 26 -9.648 -7.946 13.083 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.443 -5.220 13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.620 -7.143 14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.626 -5.445 15.270 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.268 -5.829 15.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.790 -7.498 15.594 1.00 0.00 H new ATOM 365 N GLU A 27 -7.250 -5.787 12.679 1.00 0.00 N ATOM 366 CA GLU A 27 -6.057 -5.183 12.098 1.00 0.00 C ATOM 367 C GLU A 27 -6.352 -4.618 10.712 1.00 0.00 C ATOM 368 O GLU A 27 -5.846 -3.560 10.338 1.00 0.00 O ATOM 369 CB GLU A 27 -4.927 -6.211 12.013 1.00 0.00 C ATOM 370 CG GLU A 27 -4.182 -6.408 13.322 1.00 0.00 C ATOM 371 CD GLU A 27 -2.847 -7.102 13.135 1.00 0.00 C ATOM 372 OE1 GLU A 27 -2.845 -8.311 12.822 1.00 0.00 O ATOM 373 OE2 GLU A 27 -1.804 -6.435 13.302 1.00 0.00 O ATOM 0 H GLU A 27 -7.120 -6.742 13.012 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.744 -4.364 12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.341 -7.167 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.219 -5.897 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.020 -5.438 13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.800 -6.994 14.003 1.00 0.00 H new ATOM 380 N LYS A 28 -7.174 -5.333 9.952 1.00 0.00 N ATOM 381 CA LYS A 28 -7.539 -4.906 8.606 1.00 0.00 C ATOM 382 C LYS A 28 -8.434 -3.671 8.651 1.00 0.00 C ATOM 383 O LYS A 28 -8.179 -2.717 7.918 1.00 0.00 O ATOM 384 CB LYS A 28 -8.253 -6.039 7.865 1.00 0.00 C ATOM 385 CG LYS A 28 -8.362 -5.812 6.367 1.00 0.00 C ATOM 386 CD LYS A 28 -8.673 -7.103 5.628 1.00 0.00 C ATOM 387 CE LYS A 28 -10.169 -7.369 5.575 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.473 -8.826 5.530 1.00 0.00 N ATOM 0 H LYS A 28 -7.601 -6.212 10.245 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.624 -4.651 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.719 -6.972 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.254 -6.159 8.280 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.143 -5.079 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.428 -5.394 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.276 -7.048 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.172 -7.936 6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.648 -6.925 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.593 -6.882 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.503 -8.965 5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.038 -9.245 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.091 -9.287 6.380 1.00 0.00 H new ATOM 402 N HIS A 29 -9.449 -3.714 9.501 1.00 0.00 N ATOM 403 CA HIS A 29 -10.366 -2.594 9.630 1.00 0.00 C ATOM 404 C HIS A 29 -9.587 -1.281 9.535 1.00 0.00 C ATOM 405 O HIS A 29 -9.822 -0.445 8.662 1.00 0.00 O ATOM 406 CB HIS A 29 -11.183 -2.707 10.918 1.00 0.00 C ATOM 407 CG HIS A 29 -12.201 -1.606 11.098 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.913 -1.426 12.271 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.618 -0.629 10.241 1.00 0.00 C ATOM 410 CE1 HIS A 29 -13.719 -0.387 12.116 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.536 0.105 10.858 1.00 0.00 N ATOM 0 H HIS A 29 -9.657 -4.507 10.108 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.085 -2.610 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.697 -3.668 10.927 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.503 -2.701 11.769 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.262 -0.479 9.233 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.402 0.002 12.857 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.024 0.906 10.457 1.00 0.00 H new ATOM 419 N SER A 30 -8.647 -1.116 10.460 1.00 0.00 N ATOM 420 CA SER A 30 -7.822 0.085 10.506 1.00 0.00 C ATOM 421 C SER A 30 -7.260 0.411 9.126 1.00 0.00 C ATOM 422 O SER A 30 -7.365 1.543 8.653 1.00 0.00 O ATOM 423 CB SER A 30 -6.677 -0.096 11.505 1.00 0.00 C ATOM 424 OG SER A 30 -7.146 -0.014 12.839 1.00 0.00 O ATOM 0 H SER A 30 -8.438 -1.799 11.188 1.00 0.00 H new ATOM 0 HA SER A 30 -8.450 0.915 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.199 -1.062 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.918 0.668 11.335 1.00 0.00 H new ATOM 0 HG SER A 30 -6.396 -0.135 13.458 1.00 0.00 H new ATOM 430 N MET A 31 -6.664 -0.588 8.484 1.00 0.00 N ATOM 431 CA MET A 31 -6.087 -0.408 7.157 1.00 0.00 C ATOM 432 C MET A 31 -7.110 0.188 6.196 1.00 0.00 C ATOM 433 O MET A 31 -6.925 1.292 5.686 1.00 0.00 O ATOM 434 CB MET A 31 -5.578 -1.745 6.614 1.00 0.00 C ATOM 435 CG MET A 31 -4.582 -2.434 7.532 1.00 0.00 C ATOM 436 SD MET A 31 -4.237 -4.132 7.033 1.00 0.00 S ATOM 437 CE MET A 31 -2.527 -3.992 6.518 1.00 0.00 C ATOM 0 H MET A 31 -6.568 -1.531 8.861 1.00 0.00 H new ATOM 0 HA MET A 31 -5.249 0.284 7.243 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.427 -2.408 6.450 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.111 -1.579 5.643 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.651 -1.867 7.543 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.970 -2.430 8.551 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.288 -4.799 5.825 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.373 -3.033 6.024 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.878 -4.059 7.391 1.00 0.00 H new ATOM 447 N GLU A 32 -8.189 -0.550 5.954 1.00 0.00 N ATOM 448 CA GLU A 32 -9.240 -0.093 5.052 1.00 0.00 C ATOM 449 C GLU A 32 -9.530 1.390 5.263 1.00 0.00 C ATOM 450 O GLU A 32 -9.374 2.199 4.349 1.00 0.00 O ATOM 451 CB GLU A 32 -10.516 -0.910 5.266 1.00 0.00 C ATOM 452 CG GLU A 32 -10.418 -2.337 4.755 1.00 0.00 C ATOM 453 CD GLU A 32 -11.635 -3.169 5.112 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.308 -2.837 6.110 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.914 -4.152 4.394 1.00 0.00 O ATOM 0 H GLU A 32 -8.358 -1.466 6.370 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.894 -0.235 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.751 -0.930 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.346 -0.410 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.297 -2.324 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.526 -2.807 5.170 1.00 0.00 H new ATOM 462 N GLU A 33 -9.955 1.738 6.474 1.00 0.00 N ATOM 463 CA GLU A 33 -10.269 3.123 6.804 1.00 0.00 C ATOM 464 C GLU A 33 -9.120 4.049 6.413 1.00 0.00 C ATOM 465 O GLU A 33 -9.328 5.071 5.760 1.00 0.00 O ATOM 466 CB GLU A 33 -10.563 3.260 8.299 1.00 0.00 C ATOM 467 CG GLU A 33 -11.932 2.739 8.700 1.00 0.00 C ATOM 468 CD GLU A 33 -13.064 3.521 8.064 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.437 3.199 6.916 1.00 0.00 O ATOM 470 OE2 GLU A 33 -13.578 4.456 8.714 1.00 0.00 O ATOM 0 H GLU A 33 -10.090 1.080 7.242 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.155 3.413 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.800 2.722 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.486 4.310 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.015 1.690 8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.030 2.783 9.785 1.00 0.00 H new ATOM 477 N MET A 34 -7.909 3.683 6.818 1.00 0.00 N ATOM 478 CA MET A 34 -6.727 4.480 6.510 1.00 0.00 C ATOM 479 C MET A 34 -6.607 4.716 5.008 1.00 0.00 C ATOM 480 O MET A 34 -6.613 5.858 4.546 1.00 0.00 O ATOM 481 CB MET A 34 -5.467 3.786 7.031 1.00 0.00 C ATOM 482 CG MET A 34 -4.229 4.666 6.994 1.00 0.00 C ATOM 483 SD MET A 34 -4.098 5.743 8.434 1.00 0.00 S ATOM 484 CE MET A 34 -3.154 4.705 9.548 1.00 0.00 C ATOM 0 H MET A 34 -7.720 2.840 7.360 1.00 0.00 H new ATOM 0 HA MET A 34 -6.832 5.446 7.005 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.640 3.459 8.056 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.284 2.890 6.438 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.342 4.036 6.935 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.248 5.275 6.090 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.990 5.234 10.487 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.704 3.784 9.741 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.192 4.465 9.094 1.00 0.00 H new ATOM 494 N THR A 35 -6.499 3.630 4.249 1.00 0.00 N ATOM 495 CA THR A 35 -6.376 3.719 2.800 1.00 0.00 C ATOM 496 C THR A 35 -7.271 4.819 2.239 1.00 0.00 C ATOM 497 O THR A 35 -6.880 5.543 1.324 1.00 0.00 O ATOM 498 CB THR A 35 -6.737 2.384 2.122 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.042 1.307 2.761 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.384 2.415 0.643 1.00 0.00 C ATOM 0 H THR A 35 -6.494 2.678 4.615 1.00 0.00 H new ATOM 0 HA THR A 35 -5.334 3.957 2.585 1.00 0.00 H new ATOM 0 HB THR A 35 -7.812 2.231 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.278 1.662 3.261 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.648 1.461 0.186 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.936 3.217 0.154 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.314 2.589 0.528 1.00 0.00 H new ATOM 508 N GLU A 36 -8.473 4.938 2.794 1.00 0.00 N ATOM 509 CA GLU A 36 -9.422 5.951 2.348 1.00 0.00 C ATOM 510 C GLU A 36 -8.983 7.343 2.793 1.00 0.00 C ATOM 511 O GLU A 36 -8.752 8.225 1.967 1.00 0.00 O ATOM 512 CB GLU A 36 -10.819 5.646 2.892 1.00 0.00 C ATOM 513 CG GLU A 36 -11.638 4.735 1.994 1.00 0.00 C ATOM 514 CD GLU A 36 -13.104 4.701 2.378 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.412 4.255 3.503 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.944 5.118 1.553 1.00 0.00 O ATOM 0 H GLU A 36 -8.812 4.346 3.552 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.451 5.930 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.724 5.183 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.357 6.583 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.545 5.070 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.231 3.725 2.039 1.00 0.00 H new ATOM 523 N MET A 37 -8.870 7.530 4.104 1.00 0.00 N ATOM 524 CA MET A 37 -8.458 8.814 4.659 1.00 0.00 C ATOM 525 C MET A 37 -7.352 9.441 3.816 1.00 0.00 C ATOM 526 O MET A 37 -7.418 10.620 3.469 1.00 0.00 O ATOM 527 CB MET A 37 -7.979 8.640 6.101 1.00 0.00 C ATOM 528 CG MET A 37 -9.110 8.429 7.096 1.00 0.00 C ATOM 529 SD MET A 37 -8.550 8.499 8.808 1.00 0.00 S ATOM 530 CE MET A 37 -8.542 6.759 9.233 1.00 0.00 C ATOM 0 H MET A 37 -9.058 6.809 4.801 1.00 0.00 H new ATOM 0 HA MET A 37 -9.321 9.480 4.648 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.300 7.789 6.149 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.408 9.521 6.394 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.875 9.189 6.937 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.577 7.462 6.910 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.398 6.536 9.869 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.601 6.162 8.323 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.622 6.519 9.766 1.00 0.00 H new ATOM 540 N GLN A 38 -6.339 8.645 3.491 1.00 0.00 N ATOM 541 CA GLN A 38 -5.219 9.124 2.689 1.00 0.00 C ATOM 542 C GLN A 38 -5.688 9.569 1.308 1.00 0.00 C ATOM 543 O GLN A 38 -5.431 10.696 0.887 1.00 0.00 O ATOM 544 CB GLN A 38 -4.158 8.031 2.553 1.00 0.00 C ATOM 545 CG GLN A 38 -3.568 7.586 3.881 1.00 0.00 C ATOM 546 CD GLN A 38 -3.160 8.753 4.759 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.813 9.826 4.263 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.200 8.550 6.071 1.00 0.00 N ATOM 0 H GLN A 38 -6.270 7.666 3.770 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.782 9.983 3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.599 7.168 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.355 8.394 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.298 6.975 4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.699 6.955 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.494 7.645 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.937 9.299 6.711 1.00 0.00 H new ATOM 557 N GLY A 39 -6.379 8.675 0.607 1.00 0.00 N ATOM 558 CA GLY A 39 -6.873 8.994 -0.720 1.00 0.00 C ATOM 559 C GLY A 39 -6.840 7.800 -1.653 1.00 0.00 C ATOM 560 O GLY A 39 -6.448 7.921 -2.813 1.00 0.00 O ATOM 0 H GLY A 39 -6.605 7.736 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.895 9.364 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.273 9.799 -1.144 1.00 0.00 H new ATOM 564 N GLY A 40 -7.253 6.642 -1.146 1.00 0.00 N ATOM 565 CA GLY A 40 -7.259 5.438 -1.955 1.00 0.00 C ATOM 566 C GLY A 40 -8.457 4.554 -1.670 1.00 0.00 C ATOM 567 O GLY A 40 -9.318 4.905 -0.864 1.00 0.00 O ATOM 0 H GLY A 40 -7.583 6.517 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.257 5.713 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.344 4.875 -1.770 1.00 0.00 H new ATOM 571 N SER A 41 -8.513 3.404 -2.335 1.00 0.00 N ATOM 572 CA SER A 41 -9.618 2.470 -2.153 1.00 0.00 C ATOM 573 C SER A 41 -9.109 1.113 -1.674 1.00 0.00 C ATOM 574 O SER A 41 -7.904 0.859 -1.661 1.00 0.00 O ATOM 575 CB SER A 41 -10.394 2.303 -3.461 1.00 0.00 C ATOM 576 OG SER A 41 -11.202 3.438 -3.722 1.00 0.00 O ATOM 0 H SER A 41 -7.807 3.097 -3.004 1.00 0.00 H new ATOM 0 HA SER A 41 -10.284 2.878 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.696 2.152 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.020 1.412 -3.405 1.00 0.00 H new ATOM 0 HG SER A 41 -11.687 3.308 -4.564 1.00 0.00 H new ATOM 582 N TYR A 42 -10.035 0.246 -1.281 1.00 0.00 N ATOM 583 CA TYR A 42 -9.682 -1.084 -0.799 1.00 0.00 C ATOM 584 C TYR A 42 -10.717 -2.115 -1.238 1.00 0.00 C ATOM 585 O TYR A 42 -11.922 -1.895 -1.114 1.00 0.00 O ATOM 586 CB TYR A 42 -9.563 -1.081 0.726 1.00 0.00 C ATOM 587 CG TYR A 42 -10.814 -0.606 1.430 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.913 -1.443 1.577 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.896 0.680 1.949 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.057 -1.013 2.219 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.036 1.119 2.594 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.114 0.269 2.726 1.00 0.00 C ATOM 593 OH TYR A 42 -14.253 0.701 3.368 1.00 0.00 O ATOM 0 H TYR A 42 -11.036 0.440 -1.287 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.719 -1.356 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.326 -2.089 1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.728 -0.442 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.872 -2.447 1.182 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.054 1.348 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.903 -1.676 2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.083 2.122 2.992 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.130 1.626 3.666 1.00 0.00 H new ATOM 603 N LEU A 43 -10.237 -3.243 -1.751 1.00 0.00 N ATOM 604 CA LEU A 43 -11.120 -4.311 -2.209 1.00 0.00 C ATOM 605 C LEU A 43 -10.798 -5.623 -1.501 1.00 0.00 C ATOM 606 O LEU A 43 -9.709 -5.815 -0.961 1.00 0.00 O ATOM 607 CB LEU A 43 -10.993 -4.490 -3.722 1.00 0.00 C ATOM 608 CG LEU A 43 -11.872 -3.581 -4.582 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.378 -3.566 -6.020 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.325 -4.029 -4.520 1.00 0.00 C ATOM 0 H LEU A 43 -9.243 -3.442 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.145 -4.031 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.952 -4.325 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.228 -5.526 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.808 -2.567 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.016 -2.914 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.353 -3.196 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.411 -4.577 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.935 -3.371 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.407 -5.051 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.675 -3.986 -3.489 1.00 0.00 H new ATOM 622 N PRO A 44 -11.767 -6.550 -1.504 1.00 0.00 N ATOM 623 CA PRO A 44 -11.610 -7.862 -0.869 1.00 0.00 C ATOM 624 C PRO A 44 -10.621 -8.752 -1.614 1.00 0.00 C ATOM 625 O PRO A 44 -10.360 -8.550 -2.800 1.00 0.00 O ATOM 626 CB PRO A 44 -13.019 -8.458 -0.932 1.00 0.00 C ATOM 627 CG PRO A 44 -13.666 -7.779 -2.090 1.00 0.00 C ATOM 628 CD PRO A 44 -13.091 -6.390 -2.129 1.00 0.00 C ATOM 0 HA PRO A 44 -11.212 -7.780 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.986 -9.538 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.568 -8.275 -0.008 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.462 -8.312 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.749 -7.750 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.011 -6.017 -3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.712 -5.683 -1.579 1.00 0.00 H new ATOM 636 N VAL A 45 -10.074 -9.739 -0.911 1.00 0.00 N ATOM 637 CA VAL A 45 -9.115 -10.662 -1.507 1.00 0.00 C ATOM 638 C VAL A 45 -9.745 -11.444 -2.654 1.00 0.00 C ATOM 639 O VAL A 45 -10.964 -11.599 -2.718 1.00 0.00 O ATOM 640 CB VAL A 45 -8.567 -11.653 -0.463 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.308 -12.332 -0.980 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.297 -10.943 0.855 1.00 0.00 C ATOM 0 H VAL A 45 -10.279 -9.920 0.072 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.292 -10.060 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.319 -12.422 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.936 -13.028 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.538 -12.876 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.547 -11.579 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.910 -11.658 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.563 -10.152 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.224 -10.509 1.231 1.00 0.00 H new ATOM 652 N GLY A 46 -8.904 -11.938 -3.558 1.00 0.00 N ATOM 653 CA GLY A 46 -9.396 -12.699 -4.691 1.00 0.00 C ATOM 654 C GLY A 46 -9.838 -11.812 -5.838 1.00 0.00 C ATOM 655 O GLY A 46 -9.665 -12.163 -7.005 1.00 0.00 O ATOM 0 H GLY A 46 -7.891 -11.825 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.614 -13.374 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.234 -13.319 -4.372 1.00 0.00 H new ATOM 659 N ASP A 47 -10.412 -10.661 -5.506 1.00 0.00 N ATOM 660 CA ASP A 47 -10.881 -9.721 -6.517 1.00 0.00 C ATOM 661 C ASP A 47 -9.781 -9.419 -7.531 1.00 0.00 C ATOM 662 O ASP A 47 -8.596 -9.566 -7.235 1.00 0.00 O ATOM 663 CB ASP A 47 -11.354 -8.424 -5.859 1.00 0.00 C ATOM 664 CG ASP A 47 -12.300 -7.637 -6.744 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.320 -7.893 -7.967 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.022 -6.766 -6.214 1.00 0.00 O ATOM 0 H ASP A 47 -10.564 -10.356 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.719 -10.180 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.852 -8.658 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.489 -7.806 -5.617 1.00 0.00 H new ATOM 671 N GLU A 48 -10.183 -8.998 -8.726 1.00 0.00 N ATOM 672 CA GLU A 48 -9.231 -8.678 -9.783 1.00 0.00 C ATOM 673 C GLU A 48 -9.092 -7.168 -9.950 1.00 0.00 C ATOM 674 O GLU A 48 -8.026 -6.669 -10.312 1.00 0.00 O ATOM 675 CB GLU A 48 -9.671 -9.311 -11.105 1.00 0.00 C ATOM 676 CG GLU A 48 -11.087 -8.944 -11.513 1.00 0.00 C ATOM 677 CD GLU A 48 -12.123 -9.900 -10.954 1.00 0.00 C ATOM 678 OE1 GLU A 48 -12.121 -11.080 -11.362 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.934 -9.469 -10.109 1.00 0.00 O ATOM 0 H GLU A 48 -11.161 -8.871 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.261 -9.086 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.983 -9.003 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.595 -10.395 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.309 -7.933 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.157 -8.935 -12.601 1.00 0.00 H new ATOM 686 N ARG A 49 -10.176 -6.447 -9.686 1.00 0.00 N ATOM 687 CA ARG A 49 -10.176 -4.994 -9.809 1.00 0.00 C ATOM 688 C ARG A 49 -9.073 -4.376 -8.954 1.00 0.00 C ATOM 689 O ARG A 49 -8.666 -3.236 -9.179 1.00 0.00 O ATOM 690 CB ARG A 49 -11.535 -4.426 -9.396 1.00 0.00 C ATOM 691 CG ARG A 49 -12.607 -4.576 -10.463 1.00 0.00 C ATOM 692 CD ARG A 49 -14.003 -4.459 -9.870 1.00 0.00 C ATOM 693 NE ARG A 49 -14.196 -3.192 -9.170 1.00 0.00 N ATOM 694 CZ ARG A 49 -15.306 -2.878 -8.512 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.317 -3.734 -8.464 1.00 0.00 N ATOM 696 NH2 ARG A 49 -15.406 -1.705 -7.899 1.00 0.00 N ATOM 0 H ARG A 49 -11.066 -6.845 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.987 -4.743 -10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.867 -4.926 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.420 -3.369 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.470 -3.812 -11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.499 -5.543 -10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.743 -4.550 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.174 -5.285 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.437 -2.511 -9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.244 -4.637 -8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.168 -3.490 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.630 -1.044 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.259 -1.465 -7.394 1.00 0.00 H new ATOM 710 N CYS A 50 -8.596 -5.135 -7.975 1.00 0.00 N ATOM 711 CA CYS A 50 -7.542 -4.662 -7.085 1.00 0.00 C ATOM 712 C CYS A 50 -6.219 -4.529 -7.832 1.00 0.00 C ATOM 713 O CYS A 50 -5.753 -5.477 -8.466 1.00 0.00 O ATOM 714 CB CYS A 50 -7.379 -5.615 -5.900 1.00 0.00 C ATOM 715 SG CYS A 50 -7.087 -7.336 -6.372 1.00 0.00 S ATOM 0 H CYS A 50 -8.922 -6.081 -7.777 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.829 -3.678 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.548 -5.272 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.276 -5.566 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.224 -7.960 -6.461 1.00 0.00 H new ATOM 721 N THR A 51 -5.617 -3.346 -7.755 1.00 0.00 N ATOM 722 CA THR A 51 -4.349 -3.088 -8.426 1.00 0.00 C ATOM 723 C THR A 51 -3.182 -3.673 -7.640 1.00 0.00 C ATOM 724 O THR A 51 -2.297 -4.281 -8.240 1.00 0.00 O ATOM 725 CB THR A 51 -4.115 -1.579 -8.624 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.282 -0.890 -7.380 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.078 -1.012 -9.656 1.00 0.00 C ATOM 0 H THR A 51 -5.988 -2.551 -7.234 1.00 0.00 H new ATOM 0 HA THR A 51 -4.404 -3.570 -9.402 1.00 0.00 H new ATOM 0 HB THR A 51 -3.096 -1.437 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.421 -0.841 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.893 0.055 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.928 -1.518 -10.610 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.103 -1.166 -9.320 1.00 0.00 H new ATOM 735 N HIS A 52 -3.204 -3.481 -6.329 1.00 0.00 N ATOM 736 CA HIS A 52 -2.144 -3.995 -5.479 1.00 0.00 C ATOM 737 C HIS A 52 -2.739 -4.928 -4.423 1.00 0.00 C ATOM 738 O HIS A 52 -3.949 -4.968 -4.194 1.00 0.00 O ATOM 739 CB HIS A 52 -1.333 -2.850 -4.870 1.00 0.00 C ATOM 740 CG HIS A 52 -0.759 -1.894 -5.888 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.547 -1.187 -6.781 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.531 -1.534 -6.146 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.755 -0.441 -7.537 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.532 -0.657 -7.142 1.00 0.00 N ATOM 0 H HIS A 52 -3.940 -2.976 -5.835 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.445 -4.580 -6.077 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.970 -2.293 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.518 -3.269 -4.281 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.404 -1.901 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.073 0.222 -8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.359 -0.217 -7.545 1.00 0.00 H new ATOM 752 N LEU A 53 -1.856 -5.682 -3.779 1.00 0.00 N ATOM 753 CA LEU A 53 -2.266 -6.623 -2.742 1.00 0.00 C ATOM 754 C LEU A 53 -1.217 -6.708 -1.638 1.00 0.00 C ATOM 755 O LEU A 53 -0.095 -7.161 -1.868 1.00 0.00 O ATOM 756 CB LEU A 53 -2.500 -8.009 -3.346 1.00 0.00 C ATOM 757 CG LEU A 53 -2.485 -9.181 -2.365 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.475 -8.944 -1.235 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.798 -10.484 -3.085 1.00 0.00 C ATOM 0 H LEU A 53 -0.852 -5.661 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.197 -6.261 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.462 -8.002 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.737 -8.186 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.486 -9.257 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.450 -9.789 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.206 -8.033 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.479 -8.841 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.783 -11.307 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.785 -10.419 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.051 -10.661 -3.858 1.00 0.00 H new ATOM 771 N ILE A 54 -1.590 -6.273 -0.439 1.00 0.00 N ATOM 772 CA ILE A 54 -0.682 -6.303 0.700 1.00 0.00 C ATOM 773 C ILE A 54 -0.970 -7.499 1.601 1.00 0.00 C ATOM 774 O ILE A 54 -1.936 -7.497 2.364 1.00 0.00 O ATOM 775 CB ILE A 54 -0.781 -5.012 1.534 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.309 -3.811 0.711 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.037 -5.141 2.810 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.353 -3.290 -0.252 1.00 0.00 C ATOM 0 H ILE A 54 -2.515 -5.896 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 54 0.327 -6.389 0.296 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.824 -4.854 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.019 -3.008 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.582 -4.093 0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.043 -4.221 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.340 -5.975 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.082 -5.320 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.949 -2.439 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.626 -4.078 -0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.237 -2.977 0.304 1.00 0.00 H new ATOM 790 N VAL A 55 -0.124 -8.521 1.508 1.00 0.00 N ATOM 791 CA VAL A 55 -0.285 -9.723 2.317 1.00 0.00 C ATOM 792 C VAL A 55 0.739 -9.768 3.445 1.00 0.00 C ATOM 793 O VAL A 55 1.822 -9.195 3.336 1.00 0.00 O ATOM 794 CB VAL A 55 -0.147 -10.997 1.462 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.121 -10.943 0.624 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.160 -12.235 2.345 1.00 0.00 C ATOM 0 H VAL A 55 0.680 -8.540 0.880 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.288 -9.686 2.742 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.999 -11.053 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.201 -11.851 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.084 -10.077 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.988 -10.862 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.062 -13.126 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.672 -12.189 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.099 -12.279 2.896 1.00 0.00 H new ATOM 806 N GLU A 56 0.388 -10.455 4.528 1.00 0.00 N ATOM 807 CA GLU A 56 1.278 -10.574 5.677 1.00 0.00 C ATOM 808 C GLU A 56 2.240 -11.746 5.501 1.00 0.00 C ATOM 809 O GLU A 56 1.824 -12.904 5.477 1.00 0.00 O ATOM 810 CB GLU A 56 0.467 -10.754 6.962 1.00 0.00 C ATOM 811 CG GLU A 56 1.324 -10.878 8.211 1.00 0.00 C ATOM 812 CD GLU A 56 2.448 -9.860 8.250 1.00 0.00 C ATOM 813 OE1 GLU A 56 3.498 -10.113 7.623 1.00 0.00 O ATOM 814 OE2 GLU A 56 2.277 -8.813 8.908 1.00 0.00 O ATOM 0 H GLU A 56 -0.505 -10.937 4.634 1.00 0.00 H new ATOM 0 HA GLU A 56 1.861 -9.656 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.208 -9.906 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.154 -11.645 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.695 -10.754 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.746 -11.882 8.260 1.00 0.00 H new ATOM 821 N GLU A 57 3.526 -11.435 5.379 1.00 0.00 N ATOM 822 CA GLU A 57 4.546 -12.462 5.204 1.00 0.00 C ATOM 823 C GLU A 57 4.978 -13.035 6.551 1.00 0.00 C ATOM 824 O GLU A 57 6.131 -13.425 6.730 1.00 0.00 O ATOM 825 CB GLU A 57 5.759 -11.888 4.469 1.00 0.00 C ATOM 826 CG GLU A 57 6.497 -10.818 5.256 1.00 0.00 C ATOM 827 CD GLU A 57 5.949 -9.426 5.004 1.00 0.00 C ATOM 828 OE1 GLU A 57 4.895 -9.314 4.345 1.00 0.00 O ATOM 829 OE2 GLU A 57 6.576 -8.450 5.467 1.00 0.00 O ATOM 0 H GLU A 57 3.886 -10.481 5.398 1.00 0.00 H new ATOM 0 HA GLU A 57 4.116 -13.267 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.450 -12.699 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.432 -11.467 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.430 -11.044 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.554 -10.842 4.991 1.00 0.00 H new ATOM 836 N ASN A 58 4.044 -13.082 7.495 1.00 0.00 N ATOM 837 CA ASN A 58 4.327 -13.606 8.826 1.00 0.00 C ATOM 838 C ASN A 58 3.461 -14.825 9.126 1.00 0.00 C ATOM 839 O ASN A 58 3.925 -15.800 9.719 1.00 0.00 O ATOM 840 CB ASN A 58 4.090 -12.525 9.883 1.00 0.00 C ATOM 841 CG ASN A 58 5.299 -11.631 10.076 1.00 0.00 C ATOM 842 OD1 ASN A 58 5.830 -11.515 11.181 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.741 -10.992 8.999 1.00 0.00 N ATOM 0 H ASN A 58 3.084 -12.763 7.363 1.00 0.00 H new ATOM 0 HA ASN A 58 5.373 -13.910 8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.234 -11.916 9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.836 -12.998 10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.551 -10.376 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.271 -11.117 8.103 1.00 0.00 H new ATOM 850 N THR A 59 2.199 -14.765 8.712 1.00 0.00 N ATOM 851 CA THR A 59 1.268 -15.863 8.937 1.00 0.00 C ATOM 852 C THR A 59 0.727 -16.404 7.618 1.00 0.00 C ATOM 853 O THR A 59 -0.153 -17.264 7.602 1.00 0.00 O ATOM 854 CB THR A 59 0.086 -15.425 9.822 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.687 -16.567 10.207 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.801 -14.431 9.087 1.00 0.00 C ATOM 0 H THR A 59 1.799 -13.967 8.219 1.00 0.00 H new ATOM 0 HA THR A 59 1.824 -16.649 9.449 1.00 0.00 H new ATOM 0 HB THR A 59 0.487 -14.941 10.712 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.857 -17.127 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.629 -14.136 9.732 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.217 -13.550 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.193 -14.894 8.181 1.00 0.00 H new ATOM 864 N VAL A 60 1.260 -15.895 6.512 1.00 0.00 N ATOM 865 CA VAL A 60 0.833 -16.329 5.187 1.00 0.00 C ATOM 866 C VAL A 60 1.912 -17.164 4.507 1.00 0.00 C ATOM 867 O VAL A 60 3.105 -16.898 4.657 1.00 0.00 O ATOM 868 CB VAL A 60 0.486 -15.127 4.288 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.061 -15.602 2.950 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.508 -14.211 4.985 1.00 0.00 C ATOM 0 H VAL A 60 1.989 -15.181 6.507 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.059 -16.939 5.326 1.00 0.00 H new ATOM 0 HB VAL A 60 1.398 -14.560 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.301 -14.740 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.688 -16.215 2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.962 -16.192 3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.742 -13.367 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.421 -14.765 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.074 -13.844 5.915 1.00 0.00 H new ATOM 880 N LYS A 61 1.485 -18.175 3.758 1.00 0.00 N ATOM 881 CA LYS A 61 2.414 -19.049 3.052 1.00 0.00 C ATOM 882 C LYS A 61 2.011 -19.204 1.589 1.00 0.00 C ATOM 883 O LYS A 61 2.843 -19.085 0.690 1.00 0.00 O ATOM 884 CB LYS A 61 2.466 -20.423 3.725 1.00 0.00 C ATOM 885 CG LYS A 61 1.108 -20.929 4.179 1.00 0.00 C ATOM 886 CD LYS A 61 1.225 -21.812 5.410 1.00 0.00 C ATOM 887 CE LYS A 61 1.409 -23.274 5.033 1.00 0.00 C ATOM 888 NZ LYS A 61 1.260 -24.173 6.210 1.00 0.00 N ATOM 0 H LYS A 61 0.501 -18.409 3.624 1.00 0.00 H new ATOM 0 HA LYS A 61 3.403 -18.593 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.899 -21.143 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.132 -20.371 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.458 -20.082 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.639 -21.490 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.069 -21.483 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.330 -21.703 6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.678 -23.548 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.396 -23.414 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.392 -25.160 5.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.974 -23.929 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.309 -24.059 6.616 1.00 0.00 H new ATOM 902 N ASP A 62 0.729 -19.467 1.358 1.00 0.00 N ATOM 903 CA ASP A 62 0.215 -19.635 0.004 1.00 0.00 C ATOM 904 C ASP A 62 -1.099 -18.882 -0.176 1.00 0.00 C ATOM 905 O ASP A 62 -2.047 -19.074 0.588 1.00 0.00 O ATOM 906 CB ASP A 62 0.014 -21.119 -0.308 1.00 0.00 C ATOM 907 CG ASP A 62 -0.502 -21.897 0.887 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.635 -21.619 1.331 1.00 0.00 O ATOM 909 OD2 ASP A 62 0.229 -22.782 1.379 1.00 0.00 O ATOM 0 H ASP A 62 0.027 -19.568 2.091 1.00 0.00 H new ATOM 0 HA ASP A 62 0.947 -19.222 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.688 -21.222 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.960 -21.549 -0.637 1.00 0.00 H new ATOM 914 N LEU A 63 -1.150 -18.024 -1.188 1.00 0.00 N ATOM 915 CA LEU A 63 -2.348 -17.240 -1.468 1.00 0.00 C ATOM 916 C LEU A 63 -3.535 -18.149 -1.770 1.00 0.00 C ATOM 917 O LEU A 63 -3.399 -19.202 -2.394 1.00 0.00 O ATOM 918 CB LEU A 63 -2.101 -16.296 -2.646 1.00 0.00 C ATOM 919 CG LEU A 63 -1.000 -15.252 -2.450 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.586 -14.657 -3.787 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.465 -14.160 -1.499 1.00 0.00 C ATOM 0 H LEU A 63 -0.375 -17.853 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.582 -16.650 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.853 -16.897 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.032 -15.775 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.132 -15.744 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.198 -13.916 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.212 -15.448 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.447 -14.180 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.669 -13.426 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.348 -13.671 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.712 -14.600 -0.533 1.00 0.00 H new ATOM 933 N PRO A 64 -4.728 -17.733 -1.321 1.00 0.00 N ATOM 934 CA PRO A 64 -5.963 -18.494 -1.534 1.00 0.00 C ATOM 935 C PRO A 64 -6.402 -18.490 -2.995 1.00 0.00 C ATOM 936 O PRO A 64 -7.070 -19.416 -3.455 1.00 0.00 O ATOM 937 CB PRO A 64 -6.987 -17.759 -0.666 1.00 0.00 C ATOM 938 CG PRO A 64 -6.463 -16.368 -0.558 1.00 0.00 C ATOM 939 CD PRO A 64 -4.965 -16.488 -0.571 1.00 0.00 C ATOM 0 HA PRO A 64 -5.843 -19.546 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.977 -17.775 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.081 -18.224 0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.813 -15.754 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.808 -15.891 0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.498 -15.631 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.558 -16.543 0.439 1.00 0.00 H new ATOM 947 N PHE A 65 -6.022 -17.443 -3.719 1.00 0.00 N ATOM 948 CA PHE A 65 -6.376 -17.318 -5.128 1.00 0.00 C ATOM 949 C PHE A 65 -5.126 -17.252 -6.000 1.00 0.00 C ATOM 950 O PHE A 65 -4.005 -17.214 -5.493 1.00 0.00 O ATOM 951 CB PHE A 65 -7.234 -16.071 -5.351 1.00 0.00 C ATOM 952 CG PHE A 65 -6.454 -14.788 -5.289 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.977 -14.310 -4.080 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.199 -14.061 -6.441 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.259 -13.130 -4.019 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.481 -12.881 -6.386 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.012 -12.415 -5.174 1.00 0.00 C ATOM 0 H PHE A 65 -5.469 -16.668 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.949 -18.201 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.721 -16.144 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.023 -16.044 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.168 -14.866 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.565 -14.420 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.892 -12.768 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.287 -12.324 -7.291 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.453 -11.492 -5.129 1.00 0.00 H new ATOM 967 N GLU A 66 -5.328 -17.240 -7.314 1.00 0.00 N ATOM 968 CA GLU A 66 -4.217 -17.180 -8.256 1.00 0.00 C ATOM 969 C GLU A 66 -4.138 -15.808 -8.919 1.00 0.00 C ATOM 970 O GLU A 66 -4.710 -15.571 -9.983 1.00 0.00 O ATOM 971 CB GLU A 66 -4.366 -18.266 -9.324 1.00 0.00 C ATOM 972 CG GLU A 66 -3.073 -18.578 -10.059 1.00 0.00 C ATOM 973 CD GLU A 66 -3.240 -19.677 -11.090 1.00 0.00 C ATOM 974 OE1 GLU A 66 -3.921 -19.438 -12.109 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.687 -20.777 -10.879 1.00 0.00 O ATOM 0 H GLU A 66 -6.250 -17.271 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.295 -17.350 -7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.736 -19.177 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.119 -17.952 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.712 -17.675 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.311 -18.874 -9.338 1.00 0.00 H new ATOM 982 N PRO A 67 -3.414 -14.881 -8.275 1.00 0.00 N ATOM 983 CA PRO A 67 -3.243 -13.516 -8.782 1.00 0.00 C ATOM 984 C PRO A 67 -2.373 -13.468 -10.033 1.00 0.00 C ATOM 985 O PRO A 67 -1.401 -14.214 -10.155 1.00 0.00 O ATOM 986 CB PRO A 67 -2.554 -12.791 -7.624 1.00 0.00 C ATOM 987 CG PRO A 67 -1.849 -13.865 -6.870 1.00 0.00 C ATOM 988 CD PRO A 67 -2.705 -15.094 -7.001 1.00 0.00 C ATOM 0 HA PRO A 67 -4.192 -13.069 -9.078 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.854 -12.039 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.278 -12.275 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.853 -14.038 -7.277 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.722 -13.588 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.103 -16.003 -7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.399 -15.191 -6.166 1.00 0.00 H new ATOM 996 N SER A 68 -2.728 -12.586 -10.962 1.00 0.00 N ATOM 997 CA SER A 68 -1.981 -12.443 -12.206 1.00 0.00 C ATOM 998 C SER A 68 -0.793 -11.503 -12.021 1.00 0.00 C ATOM 999 O SER A 68 -0.532 -11.022 -10.918 1.00 0.00 O ATOM 1000 CB SER A 68 -2.893 -11.917 -13.316 1.00 0.00 C ATOM 1001 OG SER A 68 -2.481 -12.396 -14.584 1.00 0.00 O ATOM 0 H SER A 68 -3.528 -11.960 -10.877 1.00 0.00 H new ATOM 0 HA SER A 68 -1.605 -13.426 -12.490 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.921 -12.226 -13.124 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.882 -10.827 -13.314 1.00 0.00 H new ATOM 0 HG SER A 68 -3.081 -12.047 -15.276 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.076 -11.245 -13.110 1.00 0.00 N ATOM 1008 CA LYS A 69 1.084 -10.363 -13.071 1.00 0.00 C ATOM 1009 C LYS A 69 0.659 -8.916 -12.842 1.00 0.00 C ATOM 1010 O LYS A 69 1.299 -8.182 -12.089 1.00 0.00 O ATOM 1011 CB LYS A 69 1.877 -10.472 -14.375 1.00 0.00 C ATOM 1012 CG LYS A 69 3.361 -10.194 -14.210 1.00 0.00 C ATOM 1013 CD LYS A 69 4.066 -11.336 -13.496 1.00 0.00 C ATOM 1014 CE LYS A 69 5.500 -10.971 -13.143 1.00 0.00 C ATOM 1015 NZ LYS A 69 6.086 -10.013 -14.121 1.00 0.00 N ATOM 0 H LYS A 69 -0.278 -11.635 -14.031 1.00 0.00 H new ATOM 0 HA LYS A 69 1.718 -10.673 -12.240 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.747 -11.473 -14.787 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.463 -9.772 -15.101 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.815 -10.041 -15.189 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.499 -9.271 -13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.520 -11.591 -12.588 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.061 -12.222 -14.131 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.528 -10.534 -12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.108 -11.875 -13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.113 -9.946 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.901 -10.347 -15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.655 -9.076 -13.990 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.425 -8.512 -13.496 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.938 -7.153 -13.362 1.00 0.00 C ATOM 1031 C LYS A 70 -1.054 -6.758 -11.893 1.00 0.00 C ATOM 1032 O LYS A 70 -0.821 -5.605 -11.530 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.302 -7.032 -14.044 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.456 -7.522 -13.187 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.647 -7.934 -14.037 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.354 -6.724 -14.628 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.595 -7.108 -15.355 1.00 0.00 N ATOM 0 H LYS A 70 -0.966 -9.106 -14.124 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.235 -6.476 -13.847 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.475 -5.989 -14.309 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.285 -7.599 -14.975 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.128 -8.369 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.756 -6.735 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.312 -8.590 -14.841 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.348 -8.506 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.602 -6.023 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.679 -6.206 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.048 -6.256 -15.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.356 -7.757 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.250 -7.580 -14.699 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.416 -7.722 -11.053 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.562 -7.475 -9.623 1.00 0.00 C ATOM 1053 C LEU A 71 -0.203 -7.467 -8.930 1.00 0.00 C ATOM 1054 O LEU A 71 0.500 -8.478 -8.908 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.464 -8.537 -8.991 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.712 -8.399 -7.489 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.424 -7.091 -7.183 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.519 -9.581 -6.971 1.00 0.00 C ATOM 0 H LEU A 71 -1.614 -8.681 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.021 -6.495 -9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.427 -8.517 -9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.024 -9.517 -9.178 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.748 -8.391 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.592 -7.011 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.809 -6.255 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.382 -7.068 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.686 -9.466 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.479 -9.620 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.971 -10.505 -7.156 1.00 0.00 H new ATOM 1070 N PHE A 72 0.160 -6.322 -8.362 1.00 0.00 N ATOM 1071 CA PHE A 72 1.434 -6.183 -7.667 1.00 0.00 C ATOM 1072 C PHE A 72 1.282 -6.506 -6.183 1.00 0.00 C ATOM 1073 O PHE A 72 0.599 -5.793 -5.448 1.00 0.00 O ATOM 1074 CB PHE A 72 1.981 -4.764 -7.838 1.00 0.00 C ATOM 1075 CG PHE A 72 2.326 -4.422 -9.259 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.544 -4.802 -9.801 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.433 -3.722 -10.054 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.864 -4.488 -11.108 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.748 -3.406 -11.362 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.964 -3.790 -11.890 1.00 0.00 C ATOM 0 H PHE A 72 -0.411 -5.477 -8.369 1.00 0.00 H new ATOM 0 HA PHE A 72 2.137 -6.891 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.242 -4.052 -7.470 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.871 -4.649 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.251 -5.350 -9.195 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.479 -3.420 -9.647 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.817 -4.788 -11.518 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.043 -2.859 -11.971 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.211 -3.545 -12.912 1.00 0.00 H new ATOM 1090 N VAL A 73 1.923 -7.587 -5.750 1.00 0.00 N ATOM 1091 CA VAL A 73 1.860 -8.006 -4.355 1.00 0.00 C ATOM 1092 C VAL A 73 3.074 -7.511 -3.578 1.00 0.00 C ATOM 1093 O VAL A 73 4.212 -7.649 -4.028 1.00 0.00 O ATOM 1094 CB VAL A 73 1.775 -9.539 -4.232 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.233 -9.936 -2.868 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.914 -10.115 -5.346 1.00 0.00 C ATOM 0 H VAL A 73 2.492 -8.189 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 73 0.957 -7.565 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 73 2.779 -9.951 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.180 -11.023 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.894 -9.555 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.236 -9.515 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.865 -11.199 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.091 -9.698 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.351 -9.861 -6.312 1.00 0.00 H new ATOM 1106 N VAL A 74 2.825 -6.933 -2.407 1.00 0.00 N ATOM 1107 CA VAL A 74 3.899 -6.418 -1.565 1.00 0.00 C ATOM 1108 C VAL A 74 3.673 -6.784 -0.102 1.00 0.00 C ATOM 1109 O VAL A 74 2.635 -7.339 0.258 1.00 0.00 O ATOM 1110 CB VAL A 74 4.023 -4.888 -1.686 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.559 -4.503 -3.057 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.680 -4.222 -1.424 1.00 0.00 C ATOM 0 H VAL A 74 1.889 -6.810 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 74 4.823 -6.879 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 74 4.730 -4.537 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.640 -3.418 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.543 -4.950 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.879 -4.865 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.786 -3.141 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.950 -4.576 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.340 -4.471 -0.419 1.00 0.00 H new ATOM 1122 N LYS A 75 4.652 -6.468 0.739 1.00 0.00 N ATOM 1123 CA LYS A 75 4.562 -6.761 2.164 1.00 0.00 C ATOM 1124 C LYS A 75 3.666 -5.749 2.872 1.00 0.00 C ATOM 1125 O LYS A 75 3.058 -4.892 2.232 1.00 0.00 O ATOM 1126 CB LYS A 75 5.955 -6.756 2.797 1.00 0.00 C ATOM 1127 CG LYS A 75 6.888 -7.809 2.224 1.00 0.00 C ATOM 1128 CD LYS A 75 8.345 -7.426 2.415 1.00 0.00 C ATOM 1129 CE LYS A 75 9.241 -8.120 1.400 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.658 -8.173 1.856 1.00 0.00 N ATOM 0 H LYS A 75 5.518 -6.008 0.458 1.00 0.00 H new ATOM 0 HA LYS A 75 4.122 -7.752 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.404 -5.772 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.857 -6.915 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.697 -8.767 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.682 -7.940 1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.454 -6.346 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.663 -7.691 3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.877 -9.133 1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.186 -7.594 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.236 -8.653 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.014 -7.206 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.715 -8.697 2.753 1.00 0.00 H new ATOM 1144 N GLN A 76 3.592 -5.855 4.195 1.00 0.00 N ATOM 1145 CA GLN A 76 2.771 -4.948 4.988 1.00 0.00 C ATOM 1146 C GLN A 76 3.429 -3.576 5.101 1.00 0.00 C ATOM 1147 O GLN A 76 2.755 -2.548 5.048 1.00 0.00 O ATOM 1148 CB GLN A 76 2.533 -5.529 6.383 1.00 0.00 C ATOM 1149 CG GLN A 76 3.770 -5.513 7.268 1.00 0.00 C ATOM 1150 CD GLN A 76 3.755 -6.613 8.311 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.279 -6.418 9.429 1.00 0.00 O ATOM 1152 NE2 GLN A 76 4.279 -7.779 7.949 1.00 0.00 N ATOM 0 H GLN A 76 4.090 -6.559 4.740 1.00 0.00 H new ATOM 0 HA GLN A 76 1.812 -4.831 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.739 -4.964 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.180 -6.556 6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.659 -5.619 6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.843 -4.546 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.663 -7.897 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.297 -8.557 8.609 1.00 0.00 H new ATOM 1161 N GLU A 77 4.750 -3.570 5.258 1.00 0.00 N ATOM 1162 CA GLU A 77 5.498 -2.324 5.380 1.00 0.00 C ATOM 1163 C GLU A 77 5.141 -1.363 4.250 1.00 0.00 C ATOM 1164 O GLU A 77 4.857 -0.188 4.487 1.00 0.00 O ATOM 1165 CB GLU A 77 7.002 -2.604 5.370 1.00 0.00 C ATOM 1166 CG GLU A 77 7.818 -1.573 6.132 1.00 0.00 C ATOM 1167 CD GLU A 77 7.739 -1.761 7.634 1.00 0.00 C ATOM 1168 OE1 GLU A 77 6.630 -1.620 8.192 1.00 0.00 O ATOM 1169 OE2 GLU A 77 8.785 -2.048 8.253 1.00 0.00 O ATOM 0 H GLU A 77 5.323 -4.413 5.304 1.00 0.00 H new ATOM 0 HA GLU A 77 5.228 -1.859 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.183 -3.589 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.350 -2.639 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.859 -1.634 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.465 -0.574 5.876 1.00 0.00 H new ATOM 1176 N TRP A 78 5.157 -1.870 3.023 1.00 0.00 N ATOM 1177 CA TRP A 78 4.836 -1.056 1.856 1.00 0.00 C ATOM 1178 C TRP A 78 3.689 -0.098 2.159 1.00 0.00 C ATOM 1179 O TRP A 78 3.829 1.117 2.017 1.00 0.00 O ATOM 1180 CB TRP A 78 4.470 -1.950 0.670 1.00 0.00 C ATOM 1181 CG TRP A 78 4.239 -1.188 -0.600 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.143 -0.969 -1.600 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.027 -0.543 -1.004 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.565 -0.227 -2.602 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.267 0.047 -2.260 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.761 -0.408 -0.428 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.288 0.760 -2.947 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.790 0.301 -1.110 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.058 0.877 -2.360 1.00 0.00 C ATOM 0 H TRP A 78 5.389 -2.840 2.810 1.00 0.00 H new ATOM 0 HA TRP A 78 5.718 -0.468 1.601 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.269 -2.674 0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.571 -2.516 0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.162 -1.326 -1.603 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.027 0.071 -3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.545 -0.850 0.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.493 1.205 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.191 0.413 -0.673 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.278 1.424 -2.869 1.00 0.00 H new ATOM 1200 N PHE A 79 2.556 -0.652 2.577 1.00 0.00 N ATOM 1201 CA PHE A 79 1.385 0.155 2.899 1.00 0.00 C ATOM 1202 C PHE A 79 1.710 1.178 3.984 1.00 0.00 C ATOM 1203 O PHE A 79 1.463 2.372 3.819 1.00 0.00 O ATOM 1204 CB PHE A 79 0.232 -0.742 3.357 1.00 0.00 C ATOM 1205 CG PHE A 79 -0.955 0.022 3.868 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.781 0.711 2.994 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.246 0.053 5.223 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.874 1.415 3.461 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.338 0.755 5.696 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.154 1.437 4.814 1.00 0.00 C ATOM 0 H PHE A 79 2.424 -1.656 2.701 1.00 0.00 H new ATOM 0 HA PHE A 79 1.085 0.690 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.082 -1.371 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.590 -1.408 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.568 0.697 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.612 -0.478 5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.509 1.948 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.554 0.771 6.754 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.009 1.986 5.181 1.00 0.00 H new ATOM 1220 N TRP A 80 2.265 0.699 5.091 1.00 0.00 N ATOM 1221 CA TRP A 80 2.624 1.572 6.204 1.00 0.00 C ATOM 1222 C TRP A 80 3.518 2.714 5.734 1.00 0.00 C ATOM 1223 O TRP A 80 3.112 3.876 5.743 1.00 0.00 O ATOM 1224 CB TRP A 80 3.333 0.771 7.298 1.00 0.00 C ATOM 1225 CG TRP A 80 2.477 -0.305 7.895 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.799 -1.626 8.032 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.159 -0.154 8.432 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.760 -2.303 8.623 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.742 -1.423 8.879 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.291 0.931 8.581 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.504 -1.634 9.462 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.946 0.720 9.160 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.334 -0.554 9.595 1.00 0.00 C ATOM 0 H TRP A 80 2.476 -0.287 5.243 1.00 0.00 H new ATOM 0 HA TRP A 80 1.706 1.997 6.610 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.234 0.320 6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.652 1.451 8.087 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.732 -2.072 7.722 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.748 -3.300 8.837 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.582 1.917 8.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.805 -2.615 9.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.625 1.551 9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.307 -0.686 10.044 1.00 0.00 H new ATOM 1244 N GLY A 81 4.736 2.376 5.321 1.00 0.00 N ATOM 1245 CA GLY A 81 5.667 3.386 4.853 1.00 0.00 C ATOM 1246 C GLY A 81 4.996 4.439 3.994 1.00 0.00 C ATOM 1247 O GLY A 81 4.927 5.608 4.373 1.00 0.00 O ATOM 0 H GLY A 81 5.094 1.421 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.138 3.867 5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.461 2.907 4.281 1.00 0.00 H new ATOM 1251 N SER A 82 4.502 4.026 2.831 1.00 0.00 N ATOM 1252 CA SER A 82 3.838 4.943 1.913 1.00 0.00 C ATOM 1253 C SER A 82 2.989 5.956 2.675 1.00 0.00 C ATOM 1254 O SER A 82 2.964 7.140 2.338 1.00 0.00 O ATOM 1255 CB SER A 82 2.963 4.167 0.926 1.00 0.00 C ATOM 1256 OG SER A 82 3.753 3.520 -0.056 1.00 0.00 O ATOM 0 H SER A 82 4.549 3.062 2.502 1.00 0.00 H new ATOM 0 HA SER A 82 4.607 5.483 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.369 3.428 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.262 4.848 0.443 1.00 0.00 H new ATOM 0 HG SER A 82 4.007 2.629 0.264 1.00 0.00 H new ATOM 1262 N ILE A 83 2.295 5.481 3.704 1.00 0.00 N ATOM 1263 CA ILE A 83 1.446 6.344 4.516 1.00 0.00 C ATOM 1264 C ILE A 83 2.280 7.321 5.336 1.00 0.00 C ATOM 1265 O ILE A 83 1.928 8.493 5.468 1.00 0.00 O ATOM 1266 CB ILE A 83 0.554 5.523 5.466 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.361 4.593 4.667 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.266 6.448 6.353 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.842 3.395 5.455 1.00 0.00 C ATOM 0 H ILE A 83 2.304 4.503 3.995 1.00 0.00 H new ATOM 0 HA ILE A 83 0.812 6.902 3.827 1.00 0.00 H new ATOM 0 HB ILE A 83 1.193 4.912 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.225 5.159 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.171 4.245 3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.891 5.853 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.403 7.072 6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.898 7.082 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.486 2.780 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.015 2.806 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.403 3.734 6.326 1.00 0.00 H new ATOM 1281 N GLN A 84 3.387 6.831 5.884 1.00 0.00 N ATOM 1282 CA GLN A 84 4.272 7.663 6.691 1.00 0.00 C ATOM 1283 C GLN A 84 4.823 8.826 5.873 1.00 0.00 C ATOM 1284 O GLN A 84 4.868 9.962 6.344 1.00 0.00 O ATOM 1285 CB GLN A 84 5.425 6.826 7.249 1.00 0.00 C ATOM 1286 CG GLN A 84 6.080 7.436 8.478 1.00 0.00 C ATOM 1287 CD GLN A 84 7.395 6.767 8.830 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.442 5.871 9.673 1.00 0.00 O ATOM 1289 NE2 GLN A 84 8.471 7.200 8.184 1.00 0.00 N ATOM 0 H GLN A 84 3.692 5.863 5.784 1.00 0.00 H new ATOM 0 HA GLN A 84 3.691 8.069 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.053 5.833 7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 84 6.179 6.697 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.252 8.498 8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.398 7.358 9.325 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.385 7.945 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.383 6.787 8.379 1.00 0.00 H new ATOM 1298 N MET A 85 5.240 8.534 4.645 1.00 0.00 N ATOM 1299 CA MET A 85 5.787 9.557 3.761 1.00 0.00 C ATOM 1300 C MET A 85 4.703 10.123 2.850 1.00 0.00 C ATOM 1301 O MET A 85 4.960 11.022 2.048 1.00 0.00 O ATOM 1302 CB MET A 85 6.926 8.978 2.919 1.00 0.00 C ATOM 1303 CG MET A 85 6.468 7.936 1.911 1.00 0.00 C ATOM 1304 SD MET A 85 7.845 7.111 1.090 1.00 0.00 S ATOM 1305 CE MET A 85 7.247 5.424 1.039 1.00 0.00 C ATOM 0 H MET A 85 5.210 7.598 4.240 1.00 0.00 H new ATOM 0 HA MET A 85 6.177 10.366 4.379 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.424 9.790 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.665 8.529 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.854 7.192 2.418 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.837 8.414 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.089 4.743 0.916 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.727 5.194 1.969 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.560 5.307 0.201 1.00 0.00 H new ATOM 1315 N ASP A 86 3.492 9.593 2.978 1.00 0.00 N ATOM 1316 CA ASP A 86 2.368 10.047 2.166 1.00 0.00 C ATOM 1317 C ASP A 86 2.692 9.935 0.680 1.00 0.00 C ATOM 1318 O ASP A 86 2.189 10.708 -0.135 1.00 0.00 O ATOM 1319 CB ASP A 86 2.011 11.493 2.515 1.00 0.00 C ATOM 1320 CG ASP A 86 1.726 11.679 3.992 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.694 11.801 4.772 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.536 11.701 4.370 1.00 0.00 O ATOM 0 H ASP A 86 3.263 8.848 3.636 1.00 0.00 H new ATOM 0 HA ASP A 86 1.513 9.407 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.831 12.148 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.138 11.798 1.938 1.00 0.00 H new ATOM 1327 N ALA A 87 3.534 8.967 0.334 1.00 0.00 N ATOM 1328 CA ALA A 87 3.924 8.753 -1.054 1.00 0.00 C ATOM 1329 C ALA A 87 4.116 7.269 -1.347 1.00 0.00 C ATOM 1330 O ALA A 87 4.744 6.549 -0.571 1.00 0.00 O ATOM 1331 CB ALA A 87 5.197 9.524 -1.370 1.00 0.00 C ATOM 0 H ALA A 87 3.959 8.318 0.996 1.00 0.00 H new ATOM 0 HA ALA A 87 3.121 9.122 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.476 9.355 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.027 10.589 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.001 9.182 -0.718 1.00 0.00 H new ATOM 1337 N ARG A 88 3.571 6.817 -2.472 1.00 0.00 N ATOM 1338 CA ARG A 88 3.681 5.418 -2.867 1.00 0.00 C ATOM 1339 C ARG A 88 5.144 5.011 -3.025 1.00 0.00 C ATOM 1340 O ARG A 88 5.912 5.678 -3.718 1.00 0.00 O ATOM 1341 CB ARG A 88 2.929 5.174 -4.176 1.00 0.00 C ATOM 1342 CG ARG A 88 2.553 3.719 -4.401 1.00 0.00 C ATOM 1343 CD ARG A 88 1.709 3.548 -5.654 1.00 0.00 C ATOM 1344 NE ARG A 88 0.878 2.349 -5.595 1.00 0.00 N ATOM 1345 CZ ARG A 88 -0.314 2.309 -5.010 1.00 0.00 C ATOM 1346 NH1 ARG A 88 -0.812 3.397 -4.437 1.00 0.00 N ATOM 1347 NH2 ARG A 88 -1.011 1.181 -4.998 1.00 0.00 N ATOM 0 H ARG A 88 3.049 7.400 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 88 3.235 4.809 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.023 5.780 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.546 5.514 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.458 3.117 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.003 3.347 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.073 4.424 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.361 3.494 -6.526 1.00 0.00 H new ATOM 0 HE ARG A 88 1.232 1.495 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.279 4.267 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.728 3.364 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.632 0.343 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.926 1.152 -4.548 1.00 0.00 H new ATOM 1361 N ALA A 89 5.521 3.913 -2.378 1.00 0.00 N ATOM 1362 CA ALA A 89 6.889 3.417 -2.448 1.00 0.00 C ATOM 1363 C ALA A 89 7.054 2.420 -3.589 1.00 0.00 C ATOM 1364 O ALA A 89 6.076 2.005 -4.210 1.00 0.00 O ATOM 1365 CB ALA A 89 7.288 2.779 -1.125 1.00 0.00 C ATOM 0 H ALA A 89 4.897 3.350 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 89 7.546 4.264 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.312 2.413 -1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.219 3.520 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.619 1.947 -0.906 1.00 0.00 H new ATOM 1371 N GLY A 90 8.298 2.038 -3.861 1.00 0.00 N ATOM 1372 CA GLY A 90 8.568 1.093 -4.929 1.00 0.00 C ATOM 1373 C GLY A 90 8.269 -0.338 -4.525 1.00 0.00 C ATOM 1374 O GLY A 90 8.793 -0.829 -3.527 1.00 0.00 O ATOM 0 H GLY A 90 9.124 2.366 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.969 1.354 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.614 1.173 -5.225 1.00 0.00 H new ATOM 1378 N GLU A 91 7.423 -1.006 -5.303 1.00 0.00 N ATOM 1379 CA GLU A 91 7.053 -2.387 -5.019 1.00 0.00 C ATOM 1380 C GLU A 91 8.288 -3.283 -4.976 1.00 0.00 C ATOM 1381 O GLU A 91 8.485 -4.045 -4.029 1.00 0.00 O ATOM 1382 CB GLU A 91 6.072 -2.904 -6.074 1.00 0.00 C ATOM 1383 CG GLU A 91 4.876 -1.993 -6.289 1.00 0.00 C ATOM 1384 CD GLU A 91 5.155 -0.890 -7.291 1.00 0.00 C ATOM 1385 OE1 GLU A 91 5.588 -1.209 -8.419 1.00 0.00 O ATOM 1386 OE2 GLU A 91 4.942 0.292 -6.949 1.00 0.00 O ATOM 0 H GLU A 91 6.981 -0.613 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 91 6.571 -2.413 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.600 -3.027 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.718 -3.891 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.029 -2.587 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.587 -1.549 -5.337 1.00 0.00 H new ATOM 1393 N THR A 92 9.119 -3.186 -6.009 1.00 0.00 N ATOM 1394 CA THR A 92 10.334 -3.987 -6.092 1.00 0.00 C ATOM 1395 C THR A 92 11.077 -3.997 -4.760 1.00 0.00 C ATOM 1396 O THR A 92 11.853 -4.910 -4.479 1.00 0.00 O ATOM 1397 CB THR A 92 11.279 -3.463 -7.190 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.522 -3.066 -8.339 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.291 -4.528 -7.586 1.00 0.00 C ATOM 0 H THR A 92 8.972 -2.560 -6.801 1.00 0.00 H new ATOM 0 HA THR A 92 10.027 -5.003 -6.342 1.00 0.00 H new ATOM 0 HB THR A 92 11.818 -2.602 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.130 -2.732 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.947 -4.135 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.885 -4.807 -6.716 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.767 -5.406 -7.964 1.00 0.00 H new ATOM 1407 N MET A 93 10.833 -2.977 -3.944 1.00 0.00 N ATOM 1408 CA MET A 93 11.479 -2.871 -2.641 1.00 0.00 C ATOM 1409 C MET A 93 10.743 -3.709 -1.600 1.00 0.00 C ATOM 1410 O MET A 93 11.359 -4.282 -0.701 1.00 0.00 O ATOM 1411 CB MET A 93 11.531 -1.410 -2.191 1.00 0.00 C ATOM 1412 CG MET A 93 12.384 -0.528 -3.089 1.00 0.00 C ATOM 1413 SD MET A 93 12.894 1.000 -2.279 1.00 0.00 S ATOM 1414 CE MET A 93 12.144 2.220 -3.355 1.00 0.00 C ATOM 0 H MET A 93 10.193 -2.213 -4.162 1.00 0.00 H new ATOM 0 HA MET A 93 12.496 -3.251 -2.736 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.517 -1.011 -2.161 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.921 -1.365 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.269 -1.082 -3.401 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.824 -0.286 -3.992 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.023 3.158 -2.813 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.783 2.382 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.168 1.863 -3.685 1.00 0.00 H new ATOM 1424 N TYR A 94 9.422 -3.777 -1.727 1.00 0.00 N ATOM 1425 CA TYR A 94 8.603 -4.543 -0.796 1.00 0.00 C ATOM 1426 C TYR A 94 7.819 -5.630 -1.526 1.00 0.00 C ATOM 1427 O TYR A 94 6.707 -5.982 -1.131 1.00 0.00 O ATOM 1428 CB TYR A 94 7.639 -3.617 -0.052 1.00 0.00 C ATOM 1429 CG TYR A 94 8.295 -2.365 0.484 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.693 -1.345 -0.372 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.518 -2.201 1.845 1.00 0.00 C ATOM 1432 CE1 TYR A 94 9.293 -0.199 0.112 1.00 0.00 C ATOM 1433 CE2 TYR A 94 9.116 -1.057 2.339 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.502 -0.060 1.468 1.00 0.00 C ATOM 1435 OH TYR A 94 10.100 1.080 1.956 1.00 0.00 O ATOM 0 H TYR A 94 8.896 -3.311 -2.466 1.00 0.00 H new ATOM 0 HA TYR A 94 9.267 -5.021 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.829 -3.334 -0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.189 -4.164 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.530 -1.450 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.219 -2.981 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.597 0.584 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.280 -0.945 3.401 1.00 0.00 H new ATOM 0 HH TYR A 94 10.172 1.020 2.931 1.00 0.00 H new ATOM 1445 N LEU A 95 8.408 -6.158 -2.593 1.00 0.00 N ATOM 1446 CA LEU A 95 7.768 -7.206 -3.380 1.00 0.00 C ATOM 1447 C LEU A 95 7.702 -8.513 -2.596 1.00 0.00 C ATOM 1448 O LEU A 95 8.728 -9.050 -2.179 1.00 0.00 O ATOM 1449 CB LEU A 95 8.526 -7.423 -4.691 1.00 0.00 C ATOM 1450 CG LEU A 95 8.069 -6.575 -5.879 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.862 -6.932 -7.126 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.578 -6.758 -6.122 1.00 0.00 C ATOM 0 H LEU A 95 9.328 -5.878 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 95 6.750 -6.886 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.583 -7.224 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.441 -8.474 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 95 8.253 -5.526 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.523 -6.319 -7.961 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.922 -6.749 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.711 -7.985 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.270 -6.147 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.370 -7.807 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.024 -6.451 -5.235 1.00 0.00 H new ATOM 1464 N TYR A 96 6.489 -9.019 -2.401 1.00 0.00 N ATOM 1465 CA TYR A 96 6.289 -10.263 -1.667 1.00 0.00 C ATOM 1466 C TYR A 96 6.583 -11.471 -2.551 1.00 0.00 C ATOM 1467 O TYR A 96 5.770 -11.849 -3.394 1.00 0.00 O ATOM 1468 CB TYR A 96 4.857 -10.341 -1.136 1.00 0.00 C ATOM 1469 CG TYR A 96 4.476 -11.711 -0.622 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.938 -12.166 0.607 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.655 -12.551 -1.364 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.594 -13.417 1.081 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.304 -13.803 -0.898 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.776 -14.232 0.325 1.00 0.00 C ATOM 1475 OH TYR A 96 3.430 -15.478 0.793 1.00 0.00 O ATOM 0 H TYR A 96 5.630 -8.587 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 96 6.982 -10.275 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.736 -9.614 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.168 -10.056 -1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.577 -11.530 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.284 -12.219 -2.323 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.963 -13.755 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.664 -14.442 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 96 2.849 -15.923 0.141 1.00 0.00 H new ATOM 1485 N GLU A 97 7.752 -12.072 -2.352 1.00 0.00 N ATOM 1486 CA GLU A 97 8.154 -13.237 -3.131 1.00 0.00 C ATOM 1487 C GLU A 97 7.950 -14.522 -2.332 1.00 0.00 C ATOM 1488 O GLU A 97 8.834 -15.377 -2.275 1.00 0.00 O ATOM 1489 CB GLU A 97 9.618 -13.114 -3.555 1.00 0.00 C ATOM 1490 CG GLU A 97 9.901 -11.898 -4.422 1.00 0.00 C ATOM 1491 CD GLU A 97 11.214 -12.008 -5.172 1.00 0.00 C ATOM 1492 OE1 GLU A 97 11.419 -13.027 -5.864 1.00 0.00 O ATOM 1493 OE2 GLU A 97 12.037 -11.075 -5.066 1.00 0.00 O ATOM 0 H GLU A 97 8.437 -11.771 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 97 7.528 -13.280 -4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.243 -13.067 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.906 -14.013 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.088 -11.769 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.919 -11.006 -3.796 1.00 0.00 H new ATOM 1500 N LYS A 98 6.780 -14.650 -1.717 1.00 0.00 N ATOM 1501 CA LYS A 98 6.458 -15.829 -0.922 1.00 0.00 C ATOM 1502 C LYS A 98 7.698 -16.362 -0.212 1.00 0.00 C ATOM 1503 O LYS A 98 7.983 -17.558 -0.254 1.00 0.00 O ATOM 1504 CB LYS A 98 5.858 -16.921 -1.812 1.00 0.00 C ATOM 1505 CG LYS A 98 6.743 -17.303 -2.985 1.00 0.00 C ATOM 1506 CD LYS A 98 6.322 -18.632 -3.591 1.00 0.00 C ATOM 1507 CE LYS A 98 6.815 -19.805 -2.757 1.00 0.00 C ATOM 1508 NZ LYS A 98 8.300 -19.916 -2.777 1.00 0.00 N ATOM 0 H LYS A 98 6.038 -13.951 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 98 5.726 -15.539 -0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.668 -17.808 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.894 -16.581 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.697 -16.524 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.780 -17.365 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.235 -18.670 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.717 -18.713 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.474 -19.688 -1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.377 -20.729 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.579 -20.884 -2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.652 -19.698 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.708 -19.244 -2.096 1.00 0.00 H new ATOM 1522 N ALA A 99 8.431 -15.466 0.441 1.00 0.00 N ATOM 1523 CA ALA A 99 9.639 -15.847 1.163 1.00 0.00 C ATOM 1524 C ALA A 99 9.307 -16.736 2.356 1.00 0.00 C ATOM 1525 O ALA A 99 8.487 -16.377 3.200 1.00 0.00 O ATOM 1526 CB ALA A 99 10.394 -14.607 1.619 1.00 0.00 C ATOM 0 H ALA A 99 8.209 -14.471 0.485 1.00 0.00 H new ATOM 0 HA ALA A 99 10.275 -16.417 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.294 -14.906 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.672 -14.010 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.758 -14.015 2.277 1.00 0.00 H new ATOM 1532 N ASN A 100 9.949 -17.898 2.420 1.00 0.00 N ATOM 1533 CA ASN A 100 9.721 -18.839 3.510 1.00 0.00 C ATOM 1534 C ASN A 100 10.468 -18.407 4.768 1.00 0.00 C ATOM 1535 O ASN A 100 11.699 -18.423 4.809 1.00 0.00 O ATOM 1536 CB ASN A 100 10.162 -20.245 3.099 1.00 0.00 C ATOM 1537 CG ASN A 100 10.358 -21.162 4.291 1.00 0.00 C ATOM 1538 OD1 ASN A 100 11.443 -21.225 4.868 1.00 0.00 O ATOM 1539 ND2 ASN A 100 9.304 -21.878 4.665 1.00 0.00 N ATOM 0 H ASN A 100 10.632 -18.210 1.729 1.00 0.00 H new ATOM 0 HA ASN A 100 8.653 -18.850 3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.416 -20.676 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.094 -20.181 2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.375 -22.512 5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.424 -21.793 4.157 1.00 0.00 H new ATOM 1546 N THR A 101 9.716 -18.021 5.794 1.00 0.00 N ATOM 1547 CA THR A 101 10.306 -17.583 7.052 1.00 0.00 C ATOM 1548 C THR A 101 11.595 -18.342 7.348 1.00 0.00 C ATOM 1549 O THR A 101 11.752 -19.510 6.993 1.00 0.00 O ATOM 1550 CB THR A 101 9.330 -17.777 8.228 1.00 0.00 C ATOM 1551 OG1 THR A 101 10.047 -17.765 9.467 1.00 0.00 O ATOM 1552 CG2 THR A 101 8.568 -19.086 8.089 1.00 0.00 C ATOM 0 H THR A 101 8.696 -18.003 5.778 1.00 0.00 H new ATOM 0 HA THR A 101 10.528 -16.521 6.944 1.00 0.00 H new ATOM 0 HB THR A 101 8.614 -16.956 8.216 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.419 -17.887 10.209 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.885 -19.201 8.931 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.999 -19.079 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.273 -19.918 8.077 1.00 0.00 H new ATOM 1560 N PRO A 102 12.542 -17.664 8.014 1.00 0.00 N ATOM 1561 CA PRO A 102 13.835 -18.255 8.373 1.00 0.00 C ATOM 1562 C PRO A 102 13.703 -19.324 9.452 1.00 0.00 C ATOM 1563 O PRO A 102 14.459 -20.295 9.471 1.00 0.00 O ATOM 1564 CB PRO A 102 14.637 -17.062 8.897 1.00 0.00 C ATOM 1565 CG PRO A 102 13.610 -16.095 9.376 1.00 0.00 C ATOM 1566 CD PRO A 102 12.424 -16.268 8.468 1.00 0.00 C ATOM 0 HA PRO A 102 14.301 -18.761 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.307 -17.359 9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.256 -16.626 8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.340 -16.294 10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.987 -15.073 9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 102 11.486 -16.095 8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.453 -15.570 7.632 1.00 0.00 H new ATOM 1574 N GLU A 103 12.738 -19.139 10.347 1.00 0.00 N ATOM 1575 CA GLU A 103 12.509 -20.089 11.430 1.00 0.00 C ATOM 1576 C GLU A 103 12.667 -21.525 10.936 1.00 0.00 C ATOM 1577 O GLU A 103 12.192 -21.877 9.857 1.00 0.00 O ATOM 1578 CB GLU A 103 11.113 -19.893 12.023 1.00 0.00 C ATOM 1579 CG GLU A 103 10.961 -20.462 13.424 1.00 0.00 C ATOM 1580 CD GLU A 103 9.535 -20.387 13.933 1.00 0.00 C ATOM 1581 OE1 GLU A 103 8.971 -19.272 13.953 1.00 0.00 O ATOM 1582 OE2 GLU A 103 8.983 -21.441 14.312 1.00 0.00 O ATOM 0 H GLU A 103 12.103 -18.341 10.344 1.00 0.00 H new ATOM 0 HA GLU A 103 13.254 -19.905 12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.884 -18.828 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.380 -20.363 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.290 -21.501 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.615 -19.918 14.106 1.00 0.00 H new ATOM 1589 N SER A 104 13.338 -22.348 11.735 1.00 0.00 N ATOM 1590 CA SER A 104 13.564 -23.744 11.379 1.00 0.00 C ATOM 1591 C SER A 104 12.356 -24.601 11.748 1.00 0.00 C ATOM 1592 O SER A 104 11.893 -25.416 10.952 1.00 0.00 O ATOM 1593 CB SER A 104 14.814 -24.276 12.080 1.00 0.00 C ATOM 1594 OG SER A 104 15.984 -23.971 11.340 1.00 0.00 O ATOM 0 H SER A 104 13.735 -22.072 12.633 1.00 0.00 H new ATOM 0 HA SER A 104 13.711 -23.799 10.300 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.888 -23.842 13.077 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.732 -25.355 12.207 1.00 0.00 H new ATOM 0 HG SER A 104 16.769 -24.321 11.811 1.00 0.00 H new ATOM 1600 N GLY A 105 11.851 -24.408 12.963 1.00 0.00 N ATOM 1601 CA GLY A 105 10.703 -25.170 13.418 1.00 0.00 C ATOM 1602 C GLY A 105 11.077 -26.238 14.425 1.00 0.00 C ATOM 1603 O GLY A 105 12.160 -26.822 14.369 1.00 0.00 O ATOM 0 H GLY A 105 12.216 -23.738 13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.976 -24.493 13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.218 -25.637 12.561 1.00 0.00 H new ATOM 1607 N PRO A 106 10.169 -26.507 15.375 1.00 0.00 N ATOM 1608 CA PRO A 106 10.388 -27.513 16.418 1.00 0.00 C ATOM 1609 C PRO A 106 10.374 -28.934 15.866 1.00 0.00 C ATOM 1610 O PRO A 106 10.969 -29.841 16.446 1.00 0.00 O ATOM 1611 CB PRO A 106 9.209 -27.298 17.371 1.00 0.00 C ATOM 1612 CG PRO A 106 8.144 -26.690 16.525 1.00 0.00 C ATOM 1613 CD PRO A 106 8.857 -25.849 15.502 1.00 0.00 C ATOM 0 HA PRO A 106 11.363 -27.402 16.892 1.00 0.00 H new ATOM 0 HB2 PRO A 106 8.877 -28.239 17.809 1.00 0.00 H new ATOM 0 HB3 PRO A 106 9.482 -26.641 18.197 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.540 -27.460 16.045 1.00 0.00 H new ATOM 0 HG3 PRO A 106 7.467 -26.083 17.126 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.322 -25.832 14.552 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.956 -24.814 15.831 1.00 0.00 H new ATOM 1621 N SER A 107 9.692 -29.120 14.740 1.00 0.00 N ATOM 1622 CA SER A 107 9.598 -30.432 14.111 1.00 0.00 C ATOM 1623 C SER A 107 9.044 -31.464 15.087 1.00 0.00 C ATOM 1624 O SER A 107 9.466 -32.621 15.091 1.00 0.00 O ATOM 1625 CB SER A 107 10.971 -30.877 13.605 1.00 0.00 C ATOM 1626 OG SER A 107 11.413 -30.055 12.538 1.00 0.00 O ATOM 0 H SER A 107 9.197 -28.379 14.245 1.00 0.00 H new ATOM 0 HA SER A 107 8.914 -30.354 13.266 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.693 -30.838 14.421 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.921 -31.914 13.273 1.00 0.00 H new ATOM 0 HG SER A 107 12.294 -30.359 12.234 1.00 0.00 H new ATOM 1632 N SER A 108 8.095 -31.038 15.915 1.00 0.00 N ATOM 1633 CA SER A 108 7.485 -31.923 16.900 1.00 0.00 C ATOM 1634 C SER A 108 8.542 -32.519 17.824 1.00 0.00 C ATOM 1635 O SER A 108 8.486 -33.697 18.172 1.00 0.00 O ATOM 1636 CB SER A 108 6.713 -33.044 16.200 1.00 0.00 C ATOM 1637 OG SER A 108 5.458 -32.583 15.732 1.00 0.00 O ATOM 0 H SER A 108 7.732 -30.085 15.923 1.00 0.00 H new ATOM 0 HA SER A 108 6.792 -31.334 17.501 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.299 -33.426 15.364 1.00 0.00 H new ATOM 0 HB3 SER A 108 6.565 -33.874 16.891 1.00 0.00 H new ATOM 0 HG SER A 108 4.985 -33.317 15.287 1.00 0.00 H new ATOM 1643 N GLY A 109 9.508 -31.694 18.218 1.00 0.00 N ATOM 1644 CA GLY A 109 10.565 -32.156 19.098 1.00 0.00 C ATOM 1645 C GLY A 109 11.316 -31.013 19.752 1.00 0.00 C ATOM 1646 O GLY A 109 11.972 -30.223 19.073 1.00 0.00 O ATOM 0 H GLY A 109 9.577 -30.714 17.943 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.137 -32.795 19.871 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.265 -32.769 18.530 1.00 0.00 H new TER 1650 GLY A 109