USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 872 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 73 THR OG1 : rot -72:sc= 0.778 USER MOD Set 1.2: A 74 MET CE :methyl -170:sc= -0.638 (180deg=-0.764) USER MOD Set 2.1: A 14 MET CE :methyl 167:sc= -0.795 (180deg=-1.31) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00669 (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 44:sc= 0.631 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -110:sc= -0.285 USER MOD Single : A 23 ASN : amide:sc= -0.019 K(o=-0.019,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.49) USER MOD Single : A 27 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.14) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 71:sc= 0.0438 USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0329 (180deg=-0.358) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc=-0.00605 K(o=-0.006,f=-0.53) USER MOD Single : A 38 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.88) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0495 (180deg=-0.418) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1) USER MOD Single : A 47 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.054) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 51 LYS NZ :NH3+ -131:sc=-0.00618 (180deg=-0.614) USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.147 (180deg=-0.731) USER MOD Single : A 58 GLN : amide:sc= 0.574 K(o=0.57,f=-0.061) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 68 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.55) USER MOD Single : A 69 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.5!) USER MOD Single : A 72 GLN : amide:sc=-0.00674 X(o=-0.0067,f=-0.42) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 81 SER OG : rot 180:sc= -0.891 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= -0.09 (180deg=-0.146) USER MOD Single : A 91 THR OG1 : rot -87:sc= 0.105 USER MOD Single : A 93 SER OG : rot 40:sc= 0.948 USER MOD Single : A 94 MET CE :methyl -161:sc= 0 (180deg=-0.289) USER MOD Single : A 95 CYS SG : rot -122:sc= -0.884 USER MOD Single : A 99 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.622 -14.568 -10.289 1.00 0.00 N ATOM 2 CA GLY A 1 -28.381 -13.587 -9.536 1.00 0.00 C ATOM 3 C GLY A 1 -27.586 -12.995 -8.389 1.00 0.00 C ATOM 4 O GLY A 1 -26.844 -13.703 -7.709 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.248 -15.349 -10.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.223 -14.120 -11.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.851 -14.938 -9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.699 -12.787 -10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.285 -14.054 -9.145 1.00 0.00 H new ATOM 8 N SER A 2 -27.739 -11.692 -8.176 1.00 0.00 N ATOM 9 CA SER A 2 -27.025 -11.004 -7.107 1.00 0.00 C ATOM 10 C SER A 2 -27.994 -10.235 -6.213 1.00 0.00 C ATOM 11 O SER A 2 -28.941 -9.615 -6.696 1.00 0.00 O ATOM 12 CB SER A 2 -25.985 -10.047 -7.693 1.00 0.00 C ATOM 13 OG SER A 2 -24.760 -10.714 -7.940 1.00 0.00 O ATOM 0 H SER A 2 -28.351 -11.092 -8.729 1.00 0.00 H new ATOM 0 HA SER A 2 -26.517 -11.755 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.363 -9.618 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.819 -9.219 -7.004 1.00 0.00 H new ATOM 0 HG SER A 2 -24.113 -10.081 -8.316 1.00 0.00 H new ATOM 19 N SER A 3 -27.749 -10.281 -4.908 1.00 0.00 N ATOM 20 CA SER A 3 -28.601 -9.592 -3.945 1.00 0.00 C ATOM 21 C SER A 3 -27.805 -9.189 -2.707 1.00 0.00 C ATOM 22 O SER A 3 -27.236 -10.034 -2.018 1.00 0.00 O ATOM 23 CB SER A 3 -29.775 -10.485 -3.542 1.00 0.00 C ATOM 24 OG SER A 3 -30.490 -9.927 -2.453 1.00 0.00 O ATOM 0 H SER A 3 -26.968 -10.788 -4.493 1.00 0.00 H new ATOM 0 HA SER A 3 -28.986 -8.689 -4.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.445 -10.616 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.407 -11.474 -3.271 1.00 0.00 H new ATOM 0 HG SER A 3 -31.236 -10.516 -2.216 1.00 0.00 H new ATOM 30 N GLY A 4 -27.771 -7.888 -2.432 1.00 0.00 N ATOM 31 CA GLY A 4 -27.044 -7.393 -1.277 1.00 0.00 C ATOM 32 C GLY A 4 -26.827 -5.894 -1.328 1.00 0.00 C ATOM 33 O GLY A 4 -26.045 -5.400 -2.139 1.00 0.00 O ATOM 0 H GLY A 4 -28.234 -7.169 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.593 -7.647 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.078 -7.895 -1.217 1.00 0.00 H new ATOM 37 N SER A 5 -27.524 -5.168 -0.459 1.00 0.00 N ATOM 38 CA SER A 5 -27.408 -3.715 -0.412 1.00 0.00 C ATOM 39 C SER A 5 -27.269 -3.228 1.028 1.00 0.00 C ATOM 40 O SER A 5 -28.263 -3.009 1.720 1.00 0.00 O ATOM 41 CB SER A 5 -28.627 -3.063 -1.067 1.00 0.00 C ATOM 42 OG SER A 5 -29.829 -3.501 -0.457 1.00 0.00 O ATOM 0 H SER A 5 -28.174 -5.562 0.221 1.00 0.00 H new ATOM 0 HA SER A 5 -26.512 -3.429 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.550 -1.979 -0.988 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.646 -3.305 -2.130 1.00 0.00 H new ATOM 0 HG SER A 5 -29.718 -3.507 0.517 1.00 0.00 H new ATOM 48 N SER A 6 -26.027 -3.060 1.472 1.00 0.00 N ATOM 49 CA SER A 6 -25.756 -2.603 2.829 1.00 0.00 C ATOM 50 C SER A 6 -26.364 -1.225 3.070 1.00 0.00 C ATOM 51 O SER A 6 -27.149 -1.033 3.998 1.00 0.00 O ATOM 52 CB SER A 6 -24.248 -2.560 3.084 1.00 0.00 C ATOM 53 OG SER A 6 -23.958 -1.933 4.321 1.00 0.00 O ATOM 0 H SER A 6 -25.193 -3.234 0.911 1.00 0.00 H new ATOM 0 HA SER A 6 -26.214 -3.309 3.522 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.847 -3.573 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.754 -2.021 2.275 1.00 0.00 H new ATOM 0 HG SER A 6 -22.988 -1.919 4.461 1.00 0.00 H new ATOM 59 N GLY A 7 -25.994 -0.266 2.226 1.00 0.00 N ATOM 60 CA GLY A 7 -26.511 1.083 2.362 1.00 0.00 C ATOM 61 C GLY A 7 -25.446 2.138 2.139 1.00 0.00 C ATOM 62 O GLY A 7 -24.279 1.956 2.488 1.00 0.00 O ATOM 0 H GLY A 7 -25.345 -0.400 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.321 1.232 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.937 1.207 3.357 1.00 0.00 H new ATOM 66 N PRO A 8 -25.845 3.271 1.543 1.00 0.00 N ATOM 67 CA PRO A 8 -24.930 4.381 1.260 1.00 0.00 C ATOM 68 C PRO A 8 -24.473 5.094 2.528 1.00 0.00 C ATOM 69 O PRO A 8 -25.211 5.893 3.104 1.00 0.00 O ATOM 70 CB PRO A 8 -25.771 5.320 0.392 1.00 0.00 C ATOM 71 CG PRO A 8 -27.181 5.022 0.767 1.00 0.00 C ATOM 72 CD PRO A 8 -27.220 3.556 1.100 1.00 0.00 C ATOM 0 HA PRO A 8 -24.013 4.041 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -25.523 6.364 0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.597 5.140 -0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -27.494 5.624 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -27.860 5.254 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -27.947 3.341 1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -27.496 2.954 0.234 1.00 0.00 H new ATOM 80 N LYS A 9 -23.250 4.800 2.957 1.00 0.00 N ATOM 81 CA LYS A 9 -22.693 5.414 4.157 1.00 0.00 C ATOM 82 C LYS A 9 -21.234 5.803 3.940 1.00 0.00 C ATOM 83 O LYS A 9 -20.375 4.946 3.731 1.00 0.00 O ATOM 84 CB LYS A 9 -22.805 4.455 5.345 1.00 0.00 C ATOM 85 CG LYS A 9 -24.177 4.452 5.996 1.00 0.00 C ATOM 86 CD LYS A 9 -24.441 5.745 6.748 1.00 0.00 C ATOM 87 CE LYS A 9 -23.904 5.683 8.169 1.00 0.00 C ATOM 88 NZ LYS A 9 -24.615 6.628 9.074 1.00 0.00 N ATOM 0 H LYS A 9 -22.626 4.141 2.492 1.00 0.00 H new ATOM 0 HA LYS A 9 -23.264 6.317 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.569 3.445 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.058 4.726 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -24.942 4.311 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -24.253 3.609 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -23.976 6.577 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -25.513 5.941 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.007 4.668 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -22.839 5.916 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -24.219 6.555 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.496 7.600 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.627 6.390 9.098 1.00 0.00 H new ATOM 102 N THR A 10 -20.959 7.103 3.994 1.00 0.00 N ATOM 103 CA THR A 10 -19.604 7.606 3.804 1.00 0.00 C ATOM 104 C THR A 10 -18.702 7.207 4.966 1.00 0.00 C ATOM 105 O THR A 10 -17.488 7.080 4.808 1.00 0.00 O ATOM 106 CB THR A 10 -19.589 9.139 3.661 1.00 0.00 C ATOM 107 OG1 THR A 10 -20.170 9.746 4.821 1.00 0.00 O ATOM 108 CG2 THR A 10 -20.353 9.574 2.419 1.00 0.00 C ATOM 0 H THR A 10 -21.657 7.826 4.168 1.00 0.00 H new ATOM 0 HA THR A 10 -19.227 7.159 2.884 1.00 0.00 H new ATOM 0 HB THR A 10 -18.553 9.462 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 10 -20.155 10.721 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 10 -20.329 10.661 2.339 1.00 0.00 H new ATOM 0 HG22 THR A 10 -19.891 9.135 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.388 9.239 2.492 1.00 0.00 H new ATOM 116 N GLY A 11 -19.303 7.009 6.136 1.00 0.00 N ATOM 117 CA GLY A 11 -18.538 6.626 7.308 1.00 0.00 C ATOM 118 C GLY A 11 -18.179 7.813 8.180 1.00 0.00 C ATOM 119 O GLY A 11 -18.055 8.943 7.707 1.00 0.00 O ATOM 0 H GLY A 11 -20.306 7.107 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -19.112 5.909 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -17.625 6.121 6.993 1.00 0.00 H new ATOM 123 N PRO A 12 -18.008 7.562 9.487 1.00 0.00 N ATOM 124 CA PRO A 12 -17.661 8.606 10.455 1.00 0.00 C ATOM 125 C PRO A 12 -16.238 9.121 10.267 1.00 0.00 C ATOM 126 O PRO A 12 -15.557 8.758 9.307 1.00 0.00 O ATOM 127 CB PRO A 12 -17.801 7.899 11.805 1.00 0.00 C ATOM 128 CG PRO A 12 -17.588 6.457 11.501 1.00 0.00 C ATOM 129 CD PRO A 12 -18.140 6.239 10.119 1.00 0.00 C ATOM 0 HA PRO A 12 -18.297 9.485 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.066 8.265 12.522 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.785 8.070 12.242 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.529 6.202 11.543 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.097 5.825 12.229 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.579 5.477 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.179 5.909 10.148 1.00 0.00 H new ATOM 137 N THR A 13 -15.793 9.967 11.190 1.00 0.00 N ATOM 138 CA THR A 13 -14.451 10.532 11.126 1.00 0.00 C ATOM 139 C THR A 13 -13.440 9.627 11.821 1.00 0.00 C ATOM 140 O THR A 13 -13.183 9.771 13.016 1.00 0.00 O ATOM 141 CB THR A 13 -14.398 11.931 11.769 1.00 0.00 C ATOM 142 OG1 THR A 13 -15.293 12.817 11.088 1.00 0.00 O ATOM 143 CG2 THR A 13 -12.986 12.494 11.724 1.00 0.00 C ATOM 0 H THR A 13 -16.343 10.276 11.992 1.00 0.00 H new ATOM 0 HA THR A 13 -14.194 10.616 10.070 1.00 0.00 H new ATOM 0 HB THR A 13 -14.702 11.839 12.812 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.255 13.704 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.974 13.482 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.313 11.832 12.269 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.658 12.572 10.687 1.00 0.00 H new ATOM 151 N MET A 14 -12.868 8.696 11.065 1.00 0.00 N ATOM 152 CA MET A 14 -11.883 7.769 11.609 1.00 0.00 C ATOM 153 C MET A 14 -10.698 7.616 10.661 1.00 0.00 C ATOM 154 O MET A 14 -10.835 7.779 9.448 1.00 0.00 O ATOM 155 CB MET A 14 -12.524 6.403 11.867 1.00 0.00 C ATOM 156 CG MET A 14 -13.238 6.310 13.206 1.00 0.00 C ATOM 157 SD MET A 14 -14.248 4.824 13.352 1.00 0.00 S ATOM 158 CE MET A 14 -13.399 3.725 12.222 1.00 0.00 C ATOM 0 H MET A 14 -13.070 8.564 10.074 1.00 0.00 H new ATOM 0 HA MET A 14 -11.520 8.177 12.553 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.235 6.188 11.070 1.00 0.00 H new ATOM 0 HB3 MET A 14 -11.752 5.634 11.822 1.00 0.00 H new ATOM 0 HG2 MET A 14 -12.500 6.324 14.008 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.870 7.188 13.338 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.755 2.705 12.370 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.598 4.034 11.196 1.00 0.00 H new ATOM 0 HE3 MET A 14 -12.326 3.766 12.412 1.00 0.00 H new ATOM 168 N THR A 15 -9.534 7.302 11.221 1.00 0.00 N ATOM 169 CA THR A 15 -8.325 7.129 10.426 1.00 0.00 C ATOM 170 C THR A 15 -7.629 5.815 10.762 1.00 0.00 C ATOM 171 O THR A 15 -7.586 5.402 11.921 1.00 0.00 O ATOM 172 CB THR A 15 -7.338 8.291 10.645 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.977 9.539 10.354 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.107 8.128 9.765 1.00 0.00 C ATOM 0 H THR A 15 -9.403 7.162 12.223 1.00 0.00 H new ATOM 0 HA THR A 15 -8.633 7.116 9.381 1.00 0.00 H new ATOM 0 HB THR A 15 -7.024 8.280 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.343 10.272 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.424 8.960 9.937 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.606 7.191 10.010 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.408 8.116 8.717 1.00 0.00 H new ATOM 182 N LYS A 16 -7.084 5.162 9.742 1.00 0.00 N ATOM 183 CA LYS A 16 -6.387 3.895 9.928 1.00 0.00 C ATOM 184 C LYS A 16 -4.892 4.053 9.669 1.00 0.00 C ATOM 185 O LYS A 16 -4.463 5.011 9.028 1.00 0.00 O ATOM 186 CB LYS A 16 -6.967 2.828 8.997 1.00 0.00 C ATOM 187 CG LYS A 16 -8.421 2.496 9.283 1.00 0.00 C ATOM 188 CD LYS A 16 -8.554 1.541 10.458 1.00 0.00 C ATOM 189 CE LYS A 16 -9.983 1.493 10.979 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.044 1.012 12.386 1.00 0.00 N ATOM 0 H LYS A 16 -7.112 5.490 8.776 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.527 3.581 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.877 3.170 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.372 1.919 9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.970 3.414 9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.874 2.050 8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.243 0.542 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.884 1.853 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.426 2.487 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.579 0.837 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.034 0.994 12.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.644 0.054 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.496 1.652 12.996 1.00 0.00 H new ATOM 204 N GLU A 17 -4.106 3.105 10.171 1.00 0.00 N ATOM 205 CA GLU A 17 -2.659 3.140 9.992 1.00 0.00 C ATOM 206 C GLU A 17 -2.095 1.730 9.842 1.00 0.00 C ATOM 207 O GLU A 17 -2.577 0.786 10.469 1.00 0.00 O ATOM 208 CB GLU A 17 -1.994 3.844 11.176 1.00 0.00 C ATOM 209 CG GLU A 17 -2.518 5.249 11.423 1.00 0.00 C ATOM 210 CD GLU A 17 -2.304 5.709 12.852 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.275 5.329 13.449 1.00 0.00 O ATOM 212 OE2 GLU A 17 -3.166 6.447 13.373 1.00 0.00 O ATOM 0 H GLU A 17 -4.446 2.305 10.704 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.444 3.697 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.145 3.246 12.075 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.919 3.892 11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.022 5.942 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.582 5.282 11.190 1.00 0.00 H new ATOM 219 N LEU A 18 -1.072 1.595 9.005 1.00 0.00 N ATOM 220 CA LEU A 18 -0.441 0.301 8.771 1.00 0.00 C ATOM 221 C LEU A 18 1.079 0.430 8.759 1.00 0.00 C ATOM 222 O LEU A 18 1.634 1.286 8.071 1.00 0.00 O ATOM 223 CB LEU A 18 -0.924 -0.292 7.446 1.00 0.00 C ATOM 224 CG LEU A 18 -0.961 -1.818 7.367 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.093 -2.370 8.221 1.00 0.00 C ATOM 226 CD2 LEU A 18 -1.109 -2.274 5.923 1.00 0.00 C ATOM 0 H LEU A 18 -0.662 2.366 8.477 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.724 -0.366 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.926 0.086 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.279 0.077 6.649 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.019 -2.205 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.104 -3.458 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.943 -2.074 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.044 -1.975 7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.134 -3.363 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.035 -1.876 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.264 -1.910 5.338 1.00 0.00 H new ATOM 238 N VAL A 19 1.746 -0.428 9.524 1.00 0.00 N ATOM 239 CA VAL A 19 3.202 -0.413 9.599 1.00 0.00 C ATOM 240 C VAL A 19 3.775 -1.818 9.448 1.00 0.00 C ATOM 241 O VAL A 19 3.326 -2.757 10.105 1.00 0.00 O ATOM 242 CB VAL A 19 3.689 0.187 10.932 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.208 0.271 10.957 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.068 1.558 11.157 1.00 0.00 C ATOM 0 H VAL A 19 1.301 -1.142 10.101 1.00 0.00 H new ATOM 0 HA VAL A 19 3.555 0.210 8.777 1.00 0.00 H new ATOM 0 HB VAL A 19 3.372 -0.469 11.743 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.533 0.697 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.630 -0.728 10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.551 0.904 10.139 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.423 1.967 12.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.354 2.225 10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.982 1.465 11.186 1.00 0.00 H new ATOM 254 N PHE A 20 4.771 -1.954 8.578 1.00 0.00 N ATOM 255 CA PHE A 20 5.406 -3.245 8.340 1.00 0.00 C ATOM 256 C PHE A 20 6.810 -3.063 7.770 1.00 0.00 C ATOM 257 O PHE A 20 7.216 -1.951 7.436 1.00 0.00 O ATOM 258 CB PHE A 20 4.559 -4.085 7.381 1.00 0.00 C ATOM 259 CG PHE A 20 4.140 -3.342 6.145 1.00 0.00 C ATOM 260 CD1 PHE A 20 2.957 -2.621 6.122 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.928 -3.365 5.006 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.568 -1.937 4.985 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.545 -2.683 3.866 1.00 0.00 C ATOM 264 CZ PHE A 20 3.364 -1.968 3.856 1.00 0.00 C ATOM 0 H PHE A 20 5.155 -1.187 8.027 1.00 0.00 H new ATOM 0 HA PHE A 20 5.485 -3.765 9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.125 -4.970 7.089 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.669 -4.434 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.332 -2.593 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.853 -3.923 5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.643 -1.379 4.979 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.169 -2.710 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.063 -1.434 2.967 1.00 0.00 H new ATOM 274 N SER A 21 7.546 -4.165 7.664 1.00 0.00 N ATOM 275 CA SER A 21 8.906 -4.128 7.140 1.00 0.00 C ATOM 276 C SER A 21 8.927 -4.493 5.658 1.00 0.00 C ATOM 277 O SER A 21 8.005 -5.132 5.152 1.00 0.00 O ATOM 278 CB SER A 21 9.804 -5.085 7.925 1.00 0.00 C ATOM 279 OG SER A 21 11.170 -4.881 7.605 1.00 0.00 O ATOM 0 H SER A 21 7.223 -5.094 7.934 1.00 0.00 H new ATOM 0 HA SER A 21 9.285 -3.112 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.652 -4.937 8.994 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.525 -6.115 7.703 1.00 0.00 H new ATOM 0 HG SER A 21 11.723 -5.504 8.121 1.00 0.00 H new ATOM 285 N SER A 22 9.986 -4.081 4.969 1.00 0.00 N ATOM 286 CA SER A 22 10.127 -4.360 3.545 1.00 0.00 C ATOM 287 C SER A 22 10.311 -5.855 3.300 1.00 0.00 C ATOM 288 O SER A 22 9.963 -6.368 2.238 1.00 0.00 O ATOM 289 CB SER A 22 11.314 -3.587 2.967 1.00 0.00 C ATOM 290 OG SER A 22 11.073 -2.191 2.989 1.00 0.00 O ATOM 0 H SER A 22 10.759 -3.553 5.374 1.00 0.00 H new ATOM 0 HA SER A 22 9.214 -4.037 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.213 -3.813 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.499 -3.911 1.943 1.00 0.00 H new ATOM 0 HG SER A 22 10.949 -1.866 2.073 1.00 0.00 H new ATOM 296 N ASN A 23 10.862 -6.547 4.292 1.00 0.00 N ATOM 297 CA ASN A 23 11.093 -7.983 4.185 1.00 0.00 C ATOM 298 C ASN A 23 9.844 -8.700 3.681 1.00 0.00 C ATOM 299 O ASN A 23 9.934 -9.654 2.909 1.00 0.00 O ATOM 300 CB ASN A 23 11.511 -8.555 5.542 1.00 0.00 C ATOM 301 CG ASN A 23 12.822 -7.976 6.035 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.488 -7.223 5.323 1.00 0.00 O ATOM 303 ND2 ASN A 23 13.200 -8.325 7.259 1.00 0.00 N ATOM 0 H ASN A 23 11.157 -6.137 5.178 1.00 0.00 H new ATOM 0 HA ASN A 23 11.897 -8.144 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.730 -8.353 6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.602 -9.638 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.074 -7.967 7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.617 -8.952 7.814 1.00 0.00 H new ATOM 310 N ILE A 24 8.682 -8.232 4.123 1.00 0.00 N ATOM 311 CA ILE A 24 7.415 -8.827 3.715 1.00 0.00 C ATOM 312 C ILE A 24 7.484 -9.336 2.279 1.00 0.00 C ATOM 313 O ILE A 24 7.945 -8.632 1.381 1.00 0.00 O ATOM 314 CB ILE A 24 6.256 -7.820 3.836 1.00 0.00 C ATOM 315 CG1 ILE A 24 4.915 -8.523 3.610 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.437 -6.682 2.843 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.743 -7.805 4.240 1.00 0.00 C ATOM 0 H ILE A 24 8.591 -7.443 4.763 1.00 0.00 H new ATOM 0 HA ILE A 24 7.229 -9.665 4.386 1.00 0.00 H new ATOM 0 HB ILE A 24 6.261 -7.402 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.739 -8.617 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.971 -9.534 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.610 -5.979 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.376 -6.168 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.454 -7.083 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.826 -8.359 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.896 -7.734 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.661 -6.803 3.818 1.00 0.00 H new ATOM 329 N GLY A 25 7.019 -10.564 2.069 1.00 0.00 N ATOM 330 CA GLY A 25 7.035 -11.146 0.740 1.00 0.00 C ATOM 331 C GLY A 25 5.717 -10.969 0.014 1.00 0.00 C ATOM 332 O GLY A 25 4.814 -10.295 0.509 1.00 0.00 O ATOM 0 H GLY A 25 6.632 -11.166 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.833 -10.687 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.265 -12.209 0.815 1.00 0.00 H new ATOM 336 N GLN A 26 5.606 -11.575 -1.164 1.00 0.00 N ATOM 337 CA GLN A 26 4.388 -11.479 -1.960 1.00 0.00 C ATOM 338 C GLN A 26 3.215 -12.141 -1.243 1.00 0.00 C ATOM 339 O GLN A 26 2.116 -11.588 -1.187 1.00 0.00 O ATOM 340 CB GLN A 26 4.596 -12.128 -3.329 1.00 0.00 C ATOM 341 CG GLN A 26 3.604 -11.661 -4.382 1.00 0.00 C ATOM 342 CD GLN A 26 3.502 -10.150 -4.458 1.00 0.00 C ATOM 343 OE1 GLN A 26 2.573 -9.551 -3.915 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.459 -9.525 -5.133 1.00 0.00 N ATOM 0 H GLN A 26 6.344 -12.137 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 26 4.157 -10.423 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.607 -11.912 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.519 -13.210 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.903 -12.051 -5.355 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.621 -12.077 -4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.210 -10.061 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.443 -8.509 -5.217 1.00 0.00 H new ATOM 353 N HIS A 27 3.456 -13.328 -0.697 1.00 0.00 N ATOM 354 CA HIS A 27 2.420 -14.066 0.017 1.00 0.00 C ATOM 355 C HIS A 27 1.834 -13.224 1.147 1.00 0.00 C ATOM 356 O HIS A 27 0.616 -13.107 1.279 1.00 0.00 O ATOM 357 CB HIS A 27 2.987 -15.370 0.578 1.00 0.00 C ATOM 358 CG HIS A 27 1.935 -16.364 0.963 1.00 0.00 C ATOM 359 ND1 HIS A 27 0.817 -16.613 0.194 1.00 0.00 N ATOM 360 CD2 HIS A 27 1.835 -17.176 2.042 1.00 0.00 C ATOM 361 CE1 HIS A 27 0.075 -17.533 0.784 1.00 0.00 C ATOM 362 NE2 HIS A 27 0.671 -17.891 1.907 1.00 0.00 N ATOM 0 H HIS A 27 4.360 -13.800 -0.735 1.00 0.00 H new ATOM 0 HA HIS A 27 1.623 -14.300 -0.689 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.645 -15.820 -0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.599 -15.144 1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.540 -17.248 2.857 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.860 -17.926 0.412 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.323 -18.586 2.567 1.00 0.00 H new ATOM 371 N ASP A 28 2.709 -12.641 1.958 1.00 0.00 N ATOM 372 CA ASP A 28 2.279 -11.810 3.076 1.00 0.00 C ATOM 373 C ASP A 28 1.679 -10.498 2.579 1.00 0.00 C ATOM 374 O ASP A 28 0.509 -10.205 2.828 1.00 0.00 O ATOM 375 CB ASP A 28 3.457 -11.525 4.010 1.00 0.00 C ATOM 376 CG ASP A 28 3.606 -12.576 5.092 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.650 -12.763 5.874 1.00 0.00 O ATOM 378 OD2 ASP A 28 4.678 -13.213 5.155 1.00 0.00 O ATOM 0 H ASP A 28 3.721 -12.728 1.862 1.00 0.00 H new ATOM 0 HA ASP A 28 1.512 -12.354 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.376 -11.476 3.426 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.321 -10.548 4.473 1.00 0.00 H new ATOM 383 N LEU A 29 2.487 -9.712 1.877 1.00 0.00 N ATOM 384 CA LEU A 29 2.036 -8.431 1.345 1.00 0.00 C ATOM 385 C LEU A 29 0.638 -8.551 0.748 1.00 0.00 C ATOM 386 O LEU A 29 -0.186 -7.647 0.885 1.00 0.00 O ATOM 387 CB LEU A 29 3.015 -7.923 0.285 1.00 0.00 C ATOM 388 CG LEU A 29 2.818 -6.478 -0.173 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.096 -5.513 0.969 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.714 -6.169 -1.364 1.00 0.00 C ATOM 0 H LEU A 29 3.458 -9.939 1.663 1.00 0.00 H new ATOM 0 HA LEU A 29 1.999 -7.717 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.027 -8.024 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.944 -8.572 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 29 1.780 -6.354 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.951 -4.489 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.413 -5.718 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.124 -5.639 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.560 -5.136 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.757 -6.311 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.467 -6.838 -2.188 1.00 0.00 H new ATOM 402 N ASP A 30 0.378 -9.673 0.086 1.00 0.00 N ATOM 403 CA ASP A 30 -0.922 -9.913 -0.530 1.00 0.00 C ATOM 404 C ASP A 30 -2.050 -9.659 0.465 1.00 0.00 C ATOM 405 O ASP A 30 -3.070 -9.059 0.124 1.00 0.00 O ATOM 406 CB ASP A 30 -1.003 -11.346 -1.058 1.00 0.00 C ATOM 407 CG ASP A 30 -2.223 -11.574 -1.929 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.197 -11.158 -3.107 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.202 -12.169 -1.435 1.00 0.00 O ATOM 0 H ASP A 30 1.050 -10.430 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.035 -9.220 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.104 -11.570 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.026 -12.039 -0.217 1.00 0.00 H new ATOM 414 N THR A 31 -1.861 -10.121 1.697 1.00 0.00 N ATOM 415 CA THR A 31 -2.863 -9.946 2.741 1.00 0.00 C ATOM 416 C THR A 31 -2.928 -8.495 3.203 1.00 0.00 C ATOM 417 O THR A 31 -4.009 -7.918 3.321 1.00 0.00 O ATOM 418 CB THR A 31 -2.571 -10.847 3.956 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.625 -12.224 3.568 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.571 -10.590 5.073 1.00 0.00 C ATOM 0 H THR A 31 -1.023 -10.619 1.996 1.00 0.00 H new ATOM 0 HA THR A 31 -3.823 -10.230 2.309 1.00 0.00 H new ATOM 0 HB THR A 31 -1.572 -10.612 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.437 -12.790 4.345 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.345 -11.238 5.920 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.507 -9.548 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.579 -10.800 4.715 1.00 0.00 H new ATOM 428 N LYS A 32 -1.764 -7.908 3.462 1.00 0.00 N ATOM 429 CA LYS A 32 -1.688 -6.523 3.910 1.00 0.00 C ATOM 430 C LYS A 32 -2.530 -5.616 3.018 1.00 0.00 C ATOM 431 O LYS A 32 -3.293 -4.783 3.508 1.00 0.00 O ATOM 432 CB LYS A 32 -0.234 -6.045 3.913 1.00 0.00 C ATOM 433 CG LYS A 32 0.622 -6.710 4.977 1.00 0.00 C ATOM 434 CD LYS A 32 0.505 -5.997 6.313 1.00 0.00 C ATOM 435 CE LYS A 32 1.436 -6.602 7.352 1.00 0.00 C ATOM 436 NZ LYS A 32 0.890 -7.867 7.917 1.00 0.00 N ATOM 0 H LYS A 32 -0.860 -8.371 3.369 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.082 -6.474 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.205 -6.236 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.215 -4.966 4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.319 -7.751 5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.664 -6.715 4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.740 -4.940 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.524 -6.054 6.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.408 -6.797 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.597 -5.885 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.554 -8.248 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.026 -7.677 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.760 -8.561 7.153 1.00 0.00 H new ATOM 450 N SER A 33 -2.388 -5.785 1.707 1.00 0.00 N ATOM 451 CA SER A 33 -3.134 -4.980 0.747 1.00 0.00 C ATOM 452 C SER A 33 -4.636 -5.183 0.919 1.00 0.00 C ATOM 453 O SER A 33 -5.390 -4.224 1.082 1.00 0.00 O ATOM 454 CB SER A 33 -2.719 -5.337 -0.681 1.00 0.00 C ATOM 455 OG SER A 33 -1.325 -5.161 -0.867 1.00 0.00 O ATOM 0 H SER A 33 -1.763 -6.472 1.286 1.00 0.00 H new ATOM 0 HA SER A 33 -2.904 -3.931 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.990 -6.371 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.265 -4.713 -1.388 1.00 0.00 H new ATOM 0 HG SER A 33 -0.839 -5.859 -0.380 1.00 0.00 H new ATOM 461 N LYS A 34 -5.064 -6.440 0.881 1.00 0.00 N ATOM 462 CA LYS A 34 -6.476 -6.773 1.033 1.00 0.00 C ATOM 463 C LYS A 34 -7.110 -5.954 2.152 1.00 0.00 C ATOM 464 O LYS A 34 -8.185 -5.380 1.980 1.00 0.00 O ATOM 465 CB LYS A 34 -6.640 -8.267 1.323 1.00 0.00 C ATOM 466 CG LYS A 34 -6.591 -9.137 0.079 1.00 0.00 C ATOM 467 CD LYS A 34 -6.832 -10.600 0.412 1.00 0.00 C ATOM 468 CE LYS A 34 -8.268 -10.843 0.849 1.00 0.00 C ATOM 469 NZ LYS A 34 -9.239 -10.526 -0.235 1.00 0.00 N ATOM 0 H LYS A 34 -4.453 -7.246 0.746 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.984 -6.533 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.854 -8.584 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.591 -8.428 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.342 -8.797 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.620 -9.028 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.607 -11.214 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.152 -10.911 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.385 -11.885 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.489 -10.233 1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.152 -10.978 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.368 -9.496 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.876 -10.883 -1.142 1.00 0.00 H new ATOM 483 N GLN A 35 -6.437 -5.905 3.298 1.00 0.00 N ATOM 484 CA GLN A 35 -6.936 -5.155 4.444 1.00 0.00 C ATOM 485 C GLN A 35 -7.127 -3.683 4.092 1.00 0.00 C ATOM 486 O GLN A 35 -8.195 -3.114 4.319 1.00 0.00 O ATOM 487 CB GLN A 35 -5.973 -5.288 5.625 1.00 0.00 C ATOM 488 CG GLN A 35 -6.613 -4.980 6.970 1.00 0.00 C ATOM 489 CD GLN A 35 -7.362 -6.166 7.545 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.761 -7.177 7.909 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.682 -6.049 7.630 1.00 0.00 N ATOM 0 H GLN A 35 -5.546 -6.375 3.457 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.904 -5.571 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.574 -6.302 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.128 -4.616 5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.840 -4.668 7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.300 -4.141 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.139 -5.193 7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.239 -6.815 8.009 1.00 0.00 H new ATOM 500 N ILE A 36 -6.085 -3.074 3.536 1.00 0.00 N ATOM 501 CA ILE A 36 -6.139 -1.669 3.151 1.00 0.00 C ATOM 502 C ILE A 36 -7.298 -1.404 2.196 1.00 0.00 C ATOM 503 O ILE A 36 -8.071 -0.466 2.388 1.00 0.00 O ATOM 504 CB ILE A 36 -4.826 -1.217 2.485 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.659 -1.349 3.466 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.949 0.217 1.991 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.313 -1.488 2.789 1.00 0.00 C ATOM 0 H ILE A 36 -5.194 -3.531 3.342 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.288 -1.097 4.067 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.631 -1.861 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.641 -0.474 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.827 -2.217 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.013 0.522 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.757 0.283 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.165 0.875 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.533 -1.577 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.312 -2.378 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.123 -0.609 2.173 1.00 0.00 H new ATOM 519 N GLN A 37 -7.412 -2.239 1.168 1.00 0.00 N ATOM 520 CA GLN A 37 -8.478 -2.095 0.183 1.00 0.00 C ATOM 521 C GLN A 37 -9.836 -1.963 0.865 1.00 0.00 C ATOM 522 O GLN A 37 -10.563 -0.998 0.637 1.00 0.00 O ATOM 523 CB GLN A 37 -8.487 -3.293 -0.768 1.00 0.00 C ATOM 524 CG GLN A 37 -9.019 -2.966 -2.154 1.00 0.00 C ATOM 525 CD GLN A 37 -9.053 -4.175 -3.067 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.280 -5.300 -2.619 1.00 0.00 O ATOM 527 NE2 GLN A 37 -8.828 -3.951 -4.356 1.00 0.00 N ATOM 0 H GLN A 37 -6.780 -3.021 0.996 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.289 -1.187 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.473 -3.681 -0.860 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.094 -4.087 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.024 -2.554 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.397 -2.193 -2.605 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.644 -3.003 -4.684 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.839 -4.727 -5.018 1.00 0.00 H new ATOM 536 N GLN A 38 -10.169 -2.940 1.703 1.00 0.00 N ATOM 537 CA GLN A 38 -11.440 -2.933 2.417 1.00 0.00 C ATOM 538 C GLN A 38 -11.687 -1.579 3.074 1.00 0.00 C ATOM 539 O GLN A 38 -12.811 -1.076 3.078 1.00 0.00 O ATOM 540 CB GLN A 38 -11.461 -4.037 3.475 1.00 0.00 C ATOM 541 CG GLN A 38 -11.536 -5.438 2.890 1.00 0.00 C ATOM 542 CD GLN A 38 -12.768 -5.647 2.031 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.803 -5.015 2.246 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.663 -6.538 1.052 1.00 0.00 N ATOM 0 H GLN A 38 -9.577 -3.746 1.904 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.235 -3.117 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.565 -3.956 4.090 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.315 -3.881 4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.644 -5.626 2.292 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.535 -6.167 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.786 -7.039 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.460 -6.722 0.442 1.00 0.00 H new ATOM 553 N TRP A 39 -10.631 -0.994 3.627 1.00 0.00 N ATOM 554 CA TRP A 39 -10.734 0.303 4.288 1.00 0.00 C ATOM 555 C TRP A 39 -11.066 1.400 3.283 1.00 0.00 C ATOM 556 O TRP A 39 -12.095 2.068 3.396 1.00 0.00 O ATOM 557 CB TRP A 39 -9.429 0.634 5.012 1.00 0.00 C ATOM 558 CG TRP A 39 -9.219 -0.173 6.257 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.185 -0.682 7.076 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.963 -0.561 6.825 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.606 -1.364 8.119 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.244 -1.305 7.988 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.629 -0.355 6.463 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -7.239 -1.841 8.789 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.633 -0.887 7.260 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.942 -1.623 8.411 1.00 0.00 C ATOM 0 H TRP A 39 -9.694 -1.396 3.631 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.542 0.249 5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.593 0.466 4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.423 1.693 5.269 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.248 -0.566 6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.109 -1.838 8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.381 0.210 5.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.475 -2.409 9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.599 -0.733 6.991 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.141 -2.026 9.012 1.00 0.00 H new ATOM 577 N ILE A 40 -10.190 1.582 2.301 1.00 0.00 N ATOM 578 CA ILE A 40 -10.391 2.599 1.276 1.00 0.00 C ATOM 579 C ILE A 40 -11.844 2.633 0.814 1.00 0.00 C ATOM 580 O ILE A 40 -12.394 3.700 0.545 1.00 0.00 O ATOM 581 CB ILE A 40 -9.483 2.356 0.056 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.013 2.530 0.445 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.852 3.303 -1.076 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.673 3.929 0.910 1.00 0.00 C ATOM 0 H ILE A 40 -9.334 1.038 2.193 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.132 3.557 1.727 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.630 1.333 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.769 1.823 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.387 2.278 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.201 3.119 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.889 3.136 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.730 4.334 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.615 3.979 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.885 4.640 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.273 4.177 1.785 1.00 0.00 H new ATOM 596 N GLU A 41 -12.460 1.458 0.727 1.00 0.00 N ATOM 597 CA GLU A 41 -13.850 1.355 0.299 1.00 0.00 C ATOM 598 C GLU A 41 -14.715 2.395 1.005 1.00 0.00 C ATOM 599 O GLU A 41 -15.449 3.148 0.363 1.00 0.00 O ATOM 600 CB GLU A 41 -14.390 -0.049 0.580 1.00 0.00 C ATOM 601 CG GLU A 41 -13.648 -1.147 -0.163 1.00 0.00 C ATOM 602 CD GLU A 41 -14.527 -2.344 -0.466 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.695 -2.138 -0.856 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.048 -3.487 -0.312 1.00 0.00 O ATOM 0 H GLU A 41 -12.019 0.565 0.947 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.888 1.544 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.332 -0.244 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.444 -0.085 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.253 -0.746 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.794 -1.470 0.432 1.00 0.00 H new ATOM 611 N LYS A 42 -14.625 2.431 2.330 1.00 0.00 N ATOM 612 CA LYS A 42 -15.397 3.378 3.125 1.00 0.00 C ATOM 613 C LYS A 42 -14.679 4.720 3.223 1.00 0.00 C ATOM 614 O LYS A 42 -14.814 5.438 4.214 1.00 0.00 O ATOM 615 CB LYS A 42 -15.645 2.817 4.527 1.00 0.00 C ATOM 616 CG LYS A 42 -16.564 1.608 4.544 1.00 0.00 C ATOM 617 CD LYS A 42 -16.237 0.675 5.699 1.00 0.00 C ATOM 618 CE LYS A 42 -16.722 -0.740 5.426 1.00 0.00 C ATOM 619 NZ LYS A 42 -18.207 -0.837 5.470 1.00 0.00 N ATOM 0 H LYS A 42 -14.024 1.814 2.877 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.355 3.534 2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.689 2.543 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.076 3.600 5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.600 1.938 4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.473 1.068 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.160 0.666 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.699 1.049 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.366 -1.063 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.292 -1.419 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.497 -1.817 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.546 -0.553 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.617 -0.208 4.750 1.00 0.00 H new ATOM 633 N LYS A 43 -13.915 5.054 2.188 1.00 0.00 N ATOM 634 CA LYS A 43 -13.177 6.311 2.155 1.00 0.00 C ATOM 635 C LYS A 43 -12.362 6.497 3.431 1.00 0.00 C ATOM 636 O LYS A 43 -12.319 7.589 3.998 1.00 0.00 O ATOM 637 CB LYS A 43 -14.139 7.487 1.976 1.00 0.00 C ATOM 638 CG LYS A 43 -14.719 7.591 0.576 1.00 0.00 C ATOM 639 CD LYS A 43 -15.817 6.564 0.350 1.00 0.00 C ATOM 640 CE LYS A 43 -16.607 6.863 -0.915 1.00 0.00 C ATOM 641 NZ LYS A 43 -17.361 8.143 -0.809 1.00 0.00 N ATOM 0 H LYS A 43 -13.791 4.471 1.360 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.492 6.278 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.955 7.390 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.615 8.413 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.119 8.593 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.927 7.446 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.377 5.569 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.490 6.555 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.926 6.912 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.303 6.047 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.128 8.153 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.764 8.231 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.718 8.941 -0.988 1.00 0.00 H new ATOM 655 N TYR A 44 -11.717 5.425 3.876 1.00 0.00 N ATOM 656 CA TYR A 44 -10.904 5.470 5.086 1.00 0.00 C ATOM 657 C TYR A 44 -9.462 5.846 4.760 1.00 0.00 C ATOM 658 O TYR A 44 -8.812 5.205 3.933 1.00 0.00 O ATOM 659 CB TYR A 44 -10.940 4.118 5.801 1.00 0.00 C ATOM 660 CG TYR A 44 -12.134 3.947 6.713 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.485 4.938 7.622 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.910 2.796 6.667 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.575 4.786 8.458 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.002 2.637 7.497 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.330 3.634 8.391 1.00 0.00 C ATOM 666 OH TYR A 44 -15.417 3.479 9.222 1.00 0.00 O ATOM 0 H TYR A 44 -11.741 4.514 3.417 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.320 6.233 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.946 3.322 5.056 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.027 4.001 6.385 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.896 5.842 7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.655 2.012 5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.834 5.565 9.160 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.596 1.736 7.446 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.841 2.613 9.048 1.00 0.00 H new ATOM 676 N HIS A 45 -8.967 6.891 5.416 1.00 0.00 N ATOM 677 CA HIS A 45 -7.601 7.354 5.198 1.00 0.00 C ATOM 678 C HIS A 45 -6.595 6.399 5.836 1.00 0.00 C ATOM 679 O HIS A 45 -6.381 6.427 7.048 1.00 0.00 O ATOM 680 CB HIS A 45 -7.419 8.760 5.768 1.00 0.00 C ATOM 681 CG HIS A 45 -7.729 9.849 4.787 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.759 10.510 4.064 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.911 10.391 4.410 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.330 11.412 3.287 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.636 11.359 3.477 1.00 0.00 N ATOM 0 H HIS A 45 -9.491 7.433 6.103 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.420 7.380 4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -8.061 8.875 6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.391 8.874 6.112 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.889 10.113 4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.816 12.080 2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.328 11.943 3.007 1.00 0.00 H new ATOM 694 N VAL A 46 -5.982 5.556 5.012 1.00 0.00 N ATOM 695 CA VAL A 46 -5.000 4.593 5.495 1.00 0.00 C ATOM 696 C VAL A 46 -3.581 5.125 5.326 1.00 0.00 C ATOM 697 O VAL A 46 -3.171 5.487 4.224 1.00 0.00 O ATOM 698 CB VAL A 46 -5.123 3.247 4.758 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.232 2.199 5.407 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.572 2.785 4.732 1.00 0.00 C ATOM 0 H VAL A 46 -6.148 5.520 4.006 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.204 4.437 6.554 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.791 3.384 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.332 1.254 4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.194 2.529 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.530 2.061 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.641 1.832 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.934 2.664 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.181 3.528 4.217 1.00 0.00 H new ATOM 710 N GLN A 47 -2.835 5.167 6.426 1.00 0.00 N ATOM 711 CA GLN A 47 -1.461 5.654 6.398 1.00 0.00 C ATOM 712 C GLN A 47 -0.472 4.494 6.430 1.00 0.00 C ATOM 713 O GLN A 47 -0.366 3.782 7.428 1.00 0.00 O ATOM 714 CB GLN A 47 -1.206 6.590 7.581 1.00 0.00 C ATOM 715 CG GLN A 47 0.248 7.011 7.722 1.00 0.00 C ATOM 716 CD GLN A 47 0.442 8.103 8.755 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.279 7.985 9.650 1.00 0.00 O ATOM 718 NE2 GLN A 47 -0.332 9.176 8.635 1.00 0.00 N ATOM 0 H GLN A 47 -3.159 4.870 7.346 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.316 6.206 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.824 7.481 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.523 6.096 8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.848 6.144 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.617 7.359 6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.013 9.232 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.246 9.944 9.300 1.00 0.00 H new ATOM 727 N VAL A 48 0.252 4.310 5.330 1.00 0.00 N ATOM 728 CA VAL A 48 1.234 3.237 5.231 1.00 0.00 C ATOM 729 C VAL A 48 2.640 3.750 5.523 1.00 0.00 C ATOM 730 O VAL A 48 2.986 4.879 5.174 1.00 0.00 O ATOM 731 CB VAL A 48 1.216 2.587 3.836 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.359 1.593 3.695 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.123 1.911 3.580 1.00 0.00 C ATOM 0 H VAL A 48 0.177 4.891 4.495 1.00 0.00 H new ATOM 0 HA VAL A 48 0.962 2.489 5.975 1.00 0.00 H new ATOM 0 HB VAL A 48 1.351 3.369 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.330 1.144 2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.309 2.109 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.258 0.813 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.118 1.457 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.291 1.140 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.921 2.651 3.635 1.00 0.00 H new ATOM 743 N THR A 49 3.448 2.913 6.167 1.00 0.00 N ATOM 744 CA THR A 49 4.816 3.282 6.506 1.00 0.00 C ATOM 745 C THR A 49 5.753 2.084 6.391 1.00 0.00 C ATOM 746 O THR A 49 5.675 1.145 7.184 1.00 0.00 O ATOM 747 CB THR A 49 4.906 3.854 7.934 1.00 0.00 C ATOM 748 OG1 THR A 49 3.982 4.937 8.086 1.00 0.00 O ATOM 749 CG2 THR A 49 6.316 4.337 8.235 1.00 0.00 C ATOM 0 H THR A 49 3.178 1.975 6.464 1.00 0.00 H new ATOM 0 HA THR A 49 5.122 4.049 5.795 1.00 0.00 H new ATOM 0 HB THR A 49 4.654 3.060 8.637 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.044 5.294 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.355 4.737 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.013 3.504 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.592 5.118 7.526 1.00 0.00 H new ATOM 757 N ILE A 50 6.637 2.124 5.401 1.00 0.00 N ATOM 758 CA ILE A 50 7.590 1.042 5.184 1.00 0.00 C ATOM 759 C ILE A 50 8.868 1.266 5.986 1.00 0.00 C ATOM 760 O ILE A 50 9.433 2.360 5.982 1.00 0.00 O ATOM 761 CB ILE A 50 7.950 0.900 3.694 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.680 0.855 2.842 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.789 -0.349 3.469 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.951 0.860 1.353 1.00 0.00 C ATOM 0 H ILE A 50 6.714 2.894 4.736 1.00 0.00 H new ATOM 0 HA ILE A 50 7.108 0.124 5.522 1.00 0.00 H new ATOM 0 HB ILE A 50 8.537 1.768 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.113 -0.040 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.054 1.711 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.036 -0.436 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.708 -0.280 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.225 -1.227 3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.006 0.827 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.491 1.768 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.551 -0.011 1.089 1.00 0.00 H new ATOM 776 N LYS A 51 9.321 0.222 6.671 1.00 0.00 N ATOM 777 CA LYS A 51 10.534 0.302 7.475 1.00 0.00 C ATOM 778 C LYS A 51 11.673 -0.472 6.820 1.00 0.00 C ATOM 779 O LYS A 51 11.499 -1.616 6.401 1.00 0.00 O ATOM 780 CB LYS A 51 10.276 -0.244 8.881 1.00 0.00 C ATOM 781 CG LYS A 51 9.209 0.522 9.645 1.00 0.00 C ATOM 782 CD LYS A 51 8.633 -0.307 10.781 1.00 0.00 C ATOM 783 CE LYS A 51 9.585 -0.366 11.966 1.00 0.00 C ATOM 784 NZ LYS A 51 10.553 -1.491 11.844 1.00 0.00 N ATOM 0 H LYS A 51 8.866 -0.691 6.685 1.00 0.00 H new ATOM 0 HA LYS A 51 10.824 1.350 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.977 -1.290 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.206 -0.218 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.636 1.442 10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.409 0.812 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.682 0.120 11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.427 -1.317 10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.130 0.575 12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.012 -0.478 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.573 -2.030 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.262 -2.117 11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.502 -1.113 11.647 1.00 0.00 H new ATOM 798 N ARG A 52 12.840 0.160 6.735 1.00 0.00 N ATOM 799 CA ARG A 52 14.007 -0.470 6.130 1.00 0.00 C ATOM 800 C ARG A 52 15.097 -0.709 7.172 1.00 0.00 C ATOM 801 O ARG A 52 15.138 -0.041 8.205 1.00 0.00 O ATOM 802 CB ARG A 52 14.553 0.401 4.997 1.00 0.00 C ATOM 803 CG ARG A 52 13.820 0.214 3.679 1.00 0.00 C ATOM 804 CD ARG A 52 14.106 -1.151 3.071 1.00 0.00 C ATOM 805 NE ARG A 52 13.490 -1.304 1.756 1.00 0.00 N ATOM 806 CZ ARG A 52 13.732 -2.329 0.946 1.00 0.00 C ATOM 807 NH1 ARG A 52 14.571 -3.286 1.315 1.00 0.00 N ATOM 808 NH2 ARG A 52 13.132 -2.398 -0.236 1.00 0.00 N ATOM 0 H ARG A 52 13.002 1.107 7.077 1.00 0.00 H new ATOM 0 HA ARG A 52 13.699 -1.433 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.490 1.448 5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.609 0.173 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.748 0.325 3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.120 0.995 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.184 -1.291 2.985 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.736 -1.930 3.738 1.00 0.00 H new ATOM 0 HE ARG A 52 12.838 -0.585 1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.033 -3.237 2.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.755 -4.072 0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.485 -1.664 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.318 -3.185 -0.857 1.00 0.00 H new ATOM 822 N ARG A 53 15.976 -1.666 6.893 1.00 0.00 N ATOM 823 CA ARG A 53 17.064 -1.994 7.806 1.00 0.00 C ATOM 824 C ARG A 53 18.024 -0.817 7.953 1.00 0.00 C ATOM 825 O ARG A 53 17.841 0.229 7.330 1.00 0.00 O ATOM 826 CB ARG A 53 17.822 -3.225 7.308 1.00 0.00 C ATOM 827 CG ARG A 53 16.920 -4.402 6.973 1.00 0.00 C ATOM 828 CD ARG A 53 17.671 -5.722 7.059 1.00 0.00 C ATOM 829 NE ARG A 53 17.789 -6.197 8.435 1.00 0.00 N ATOM 830 CZ ARG A 53 18.511 -7.254 8.788 1.00 0.00 C ATOM 831 NH1 ARG A 53 19.177 -7.942 7.871 1.00 0.00 N ATOM 832 NH2 ARG A 53 18.569 -7.625 10.061 1.00 0.00 N ATOM 0 H ARG A 53 15.956 -2.228 6.042 1.00 0.00 H new ATOM 0 HA ARG A 53 16.632 -2.212 8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.396 -2.954 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.539 -3.533 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.073 -4.419 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.515 -4.277 5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.155 -6.472 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.666 -5.601 6.631 1.00 0.00 H new ATOM 0 HE ARG A 53 17.289 -5.689 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.136 -7.660 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.731 -8.754 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.059 -7.098 10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.124 -8.437 10.331 1.00 0.00 H new ATOM 846 N LYS A 54 19.046 -0.995 8.783 1.00 0.00 N ATOM 847 CA LYS A 54 20.036 0.051 9.013 1.00 0.00 C ATOM 848 C LYS A 54 20.773 0.395 7.723 1.00 0.00 C ATOM 849 O LYS A 54 21.843 -0.147 7.444 1.00 0.00 O ATOM 850 CB LYS A 54 21.037 -0.392 10.082 1.00 0.00 C ATOM 851 CG LYS A 54 21.626 0.760 10.878 1.00 0.00 C ATOM 852 CD LYS A 54 22.503 0.261 12.014 1.00 0.00 C ATOM 853 CE LYS A 54 23.879 -0.155 11.516 1.00 0.00 C ATOM 854 NZ LYS A 54 24.599 0.976 10.867 1.00 0.00 N ATOM 0 H LYS A 54 19.211 -1.854 9.308 1.00 0.00 H new ATOM 0 HA LYS A 54 19.513 0.942 9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 20.543 -1.081 10.767 1.00 0.00 H new ATOM 0 HB3 LYS A 54 21.846 -0.944 9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.213 1.398 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 54 20.821 1.374 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.608 1.044 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.021 -0.586 12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.470 -0.530 12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.776 -0.975 10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.623 0.796 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 24.288 1.064 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.389 1.859 11.376 1.00 0.00 H new ATOM 868 N ASP A 55 20.196 1.300 6.940 1.00 0.00 N ATOM 869 CA ASP A 55 20.799 1.718 5.680 1.00 0.00 C ATOM 870 C ASP A 55 20.971 0.530 4.738 1.00 0.00 C ATOM 871 O ASP A 55 22.008 0.382 4.093 1.00 0.00 O ATOM 872 CB ASP A 55 22.153 2.383 5.935 1.00 0.00 C ATOM 873 CG ASP A 55 22.030 3.875 6.172 1.00 0.00 C ATOM 874 OD1 ASP A 55 21.670 4.600 5.221 1.00 0.00 O ATOM 875 OD2 ASP A 55 22.294 4.318 7.310 1.00 0.00 O ATOM 0 H ASP A 55 19.311 1.758 7.156 1.00 0.00 H new ATOM 0 HA ASP A 55 20.131 2.439 5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.625 1.918 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.808 2.206 5.082 1.00 0.00 H new ATOM 880 N ALA A 56 19.947 -0.314 4.666 1.00 0.00 N ATOM 881 CA ALA A 56 19.984 -1.488 3.803 1.00 0.00 C ATOM 882 C ALA A 56 20.685 -1.178 2.485 1.00 0.00 C ATOM 883 O ALA A 56 20.753 -0.024 2.064 1.00 0.00 O ATOM 884 CB ALA A 56 18.574 -1.999 3.547 1.00 0.00 C ATOM 0 H ALA A 56 19.082 -0.206 5.195 1.00 0.00 H new ATOM 0 HA ALA A 56 20.553 -2.266 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.616 -2.876 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.107 -2.268 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.987 -1.219 3.062 1.00 0.00 H new ATOM 890 N GLU A 57 21.206 -2.217 1.839 1.00 0.00 N ATOM 891 CA GLU A 57 21.903 -2.054 0.569 1.00 0.00 C ATOM 892 C GLU A 57 20.912 -1.843 -0.573 1.00 0.00 C ATOM 893 O GLU A 57 20.935 -2.566 -1.568 1.00 0.00 O ATOM 894 CB GLU A 57 22.777 -3.276 0.281 1.00 0.00 C ATOM 895 CG GLU A 57 21.996 -4.576 0.192 1.00 0.00 C ATOM 896 CD GLU A 57 22.890 -5.799 0.251 1.00 0.00 C ATOM 897 OE1 GLU A 57 23.589 -6.071 -0.748 1.00 0.00 O ATOM 898 OE2 GLU A 57 22.891 -6.485 1.294 1.00 0.00 O ATOM 0 H GLU A 57 21.158 -3.179 2.174 1.00 0.00 H new ATOM 0 HA GLU A 57 22.538 -1.171 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.311 -3.118 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 57 23.529 -3.367 1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.274 -4.618 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.427 -4.591 -0.738 1.00 0.00 H new ATOM 905 N GLN A 58 20.044 -0.849 -0.419 1.00 0.00 N ATOM 906 CA GLN A 58 19.044 -0.544 -1.436 1.00 0.00 C ATOM 907 C GLN A 58 18.763 0.954 -1.491 1.00 0.00 C ATOM 908 O GLN A 58 18.830 1.646 -0.475 1.00 0.00 O ATOM 909 CB GLN A 58 17.750 -1.309 -1.154 1.00 0.00 C ATOM 910 CG GLN A 58 17.895 -2.817 -1.274 1.00 0.00 C ATOM 911 CD GLN A 58 17.846 -3.296 -2.711 1.00 0.00 C ATOM 912 OE1 GLN A 58 16.819 -3.787 -3.179 1.00 0.00 O ATOM 913 NE2 GLN A 58 18.960 -3.155 -3.421 1.00 0.00 N ATOM 0 H GLN A 58 20.013 -0.241 0.400 1.00 0.00 H new ATOM 0 HA GLN A 58 19.438 -0.856 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.405 -1.065 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 58 16.980 -0.970 -1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 58 18.839 -3.124 -0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 58 17.100 -3.301 -0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.789 -2.743 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.986 -3.459 -4.394 1.00 0.00 H new ATOM 922 N SER A 59 18.447 1.448 -2.684 1.00 0.00 N ATOM 923 CA SER A 59 18.159 2.865 -2.872 1.00 0.00 C ATOM 924 C SER A 59 16.673 3.149 -2.673 1.00 0.00 C ATOM 925 O SER A 59 15.868 2.229 -2.535 1.00 0.00 O ATOM 926 CB SER A 59 18.593 3.314 -4.268 1.00 0.00 C ATOM 927 OG SER A 59 18.890 4.700 -4.289 1.00 0.00 O ATOM 0 H SER A 59 18.384 0.888 -3.534 1.00 0.00 H new ATOM 0 HA SER A 59 18.721 3.427 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 59 19.470 2.746 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.801 3.098 -4.985 1.00 0.00 H new ATOM 0 HG SER A 59 19.167 4.962 -5.192 1.00 0.00 H new ATOM 933 N GLU A 60 16.318 4.430 -2.659 1.00 0.00 N ATOM 934 CA GLU A 60 14.930 4.835 -2.476 1.00 0.00 C ATOM 935 C GLU A 60 14.036 4.214 -3.546 1.00 0.00 C ATOM 936 O GLU A 60 12.925 3.770 -3.259 1.00 0.00 O ATOM 937 CB GLU A 60 14.810 6.360 -2.518 1.00 0.00 C ATOM 938 CG GLU A 60 15.458 7.054 -1.332 1.00 0.00 C ATOM 939 CD GLU A 60 14.601 6.994 -0.082 1.00 0.00 C ATOM 940 OE1 GLU A 60 13.375 7.202 -0.192 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.157 6.738 1.006 1.00 0.00 O ATOM 0 H GLU A 60 16.972 5.204 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 60 14.601 4.479 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.267 6.727 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.755 6.632 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.424 6.592 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.651 8.096 -1.586 1.00 0.00 H new ATOM 948 N GLU A 61 14.531 4.189 -4.780 1.00 0.00 N ATOM 949 CA GLU A 61 13.776 3.624 -5.893 1.00 0.00 C ATOM 950 C GLU A 61 13.194 2.264 -5.520 1.00 0.00 C ATOM 951 O GLU A 61 12.095 1.910 -5.947 1.00 0.00 O ATOM 952 CB GLU A 61 14.671 3.487 -7.127 1.00 0.00 C ATOM 953 CG GLU A 61 14.863 4.789 -7.886 1.00 0.00 C ATOM 954 CD GLU A 61 15.271 4.568 -9.329 1.00 0.00 C ATOM 955 OE1 GLU A 61 16.437 4.187 -9.565 1.00 0.00 O ATOM 956 OE2 GLU A 61 14.425 4.776 -10.224 1.00 0.00 O ATOM 0 H GLU A 61 15.450 4.553 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 61 12.953 4.301 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.646 3.109 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.239 2.745 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.936 5.362 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.623 5.389 -7.385 1.00 0.00 H new ATOM 963 N GLU A 62 13.939 1.506 -4.722 1.00 0.00 N ATOM 964 CA GLU A 62 13.497 0.184 -4.293 1.00 0.00 C ATOM 965 C GLU A 62 12.354 0.292 -3.287 1.00 0.00 C ATOM 966 O GLU A 62 11.384 -0.463 -3.348 1.00 0.00 O ATOM 967 CB GLU A 62 14.662 -0.593 -3.677 1.00 0.00 C ATOM 968 CG GLU A 62 15.915 -0.595 -4.537 1.00 0.00 C ATOM 969 CD GLU A 62 15.713 -1.309 -5.859 1.00 0.00 C ATOM 970 OE1 GLU A 62 15.838 -2.551 -5.889 1.00 0.00 O ATOM 971 OE2 GLU A 62 15.431 -0.625 -6.865 1.00 0.00 O ATOM 0 H GLU A 62 14.851 1.784 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 62 13.136 -0.352 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.900 -0.163 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.349 -1.623 -3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.223 0.433 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.726 -1.075 -3.989 1.00 0.00 H new ATOM 978 N THR A 63 12.478 1.237 -2.360 1.00 0.00 N ATOM 979 CA THR A 63 11.458 1.444 -1.339 1.00 0.00 C ATOM 980 C THR A 63 10.145 1.906 -1.959 1.00 0.00 C ATOM 981 O THR A 63 9.076 1.727 -1.376 1.00 0.00 O ATOM 982 CB THR A 63 11.912 2.480 -0.294 1.00 0.00 C ATOM 983 OG1 THR A 63 13.319 2.357 -0.061 1.00 0.00 O ATOM 984 CG2 THR A 63 11.158 2.296 1.014 1.00 0.00 C ATOM 0 H THR A 63 13.274 1.871 -2.295 1.00 0.00 H new ATOM 0 HA THR A 63 11.305 0.484 -0.846 1.00 0.00 H new ATOM 0 HB THR A 63 11.695 3.475 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.600 3.020 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.496 3.039 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.089 2.420 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.348 1.297 1.406 1.00 0.00 H new ATOM 992 N GLU A 64 10.232 2.499 -3.146 1.00 0.00 N ATOM 993 CA GLU A 64 9.049 2.986 -3.845 1.00 0.00 C ATOM 994 C GLU A 64 8.247 1.827 -4.431 1.00 0.00 C ATOM 995 O GLU A 64 7.028 1.912 -4.572 1.00 0.00 O ATOM 996 CB GLU A 64 9.450 3.957 -4.957 1.00 0.00 C ATOM 997 CG GLU A 64 9.520 5.406 -4.504 1.00 0.00 C ATOM 998 CD GLU A 64 10.434 6.246 -5.375 1.00 0.00 C ATOM 999 OE1 GLU A 64 11.662 6.218 -5.145 1.00 0.00 O ATOM 1000 OE2 GLU A 64 9.923 6.931 -6.285 1.00 0.00 O ATOM 0 H GLU A 64 11.109 2.653 -3.643 1.00 0.00 H new ATOM 0 HA GLU A 64 8.422 3.510 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.422 3.662 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.734 3.875 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.518 5.835 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.871 5.444 -3.473 1.00 0.00 H new ATOM 1007 N GLU A 65 8.943 0.746 -4.770 1.00 0.00 N ATOM 1008 CA GLU A 65 8.296 -0.429 -5.342 1.00 0.00 C ATOM 1009 C GLU A 65 7.132 -0.888 -4.469 1.00 0.00 C ATOM 1010 O GLU A 65 5.974 -0.843 -4.885 1.00 0.00 O ATOM 1011 CB GLU A 65 9.306 -1.566 -5.504 1.00 0.00 C ATOM 1012 CG GLU A 65 10.546 -1.172 -6.289 1.00 0.00 C ATOM 1013 CD GLU A 65 11.369 -2.370 -6.721 1.00 0.00 C ATOM 1014 OE1 GLU A 65 12.041 -2.972 -5.858 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.340 -2.706 -7.924 1.00 0.00 O ATOM 0 H GLU A 65 9.953 0.660 -4.659 1.00 0.00 H new ATOM 0 HA GLU A 65 7.906 -0.157 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.607 -1.916 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.820 -2.403 -6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.248 -0.604 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.163 -0.513 -5.679 1.00 0.00 H new ATOM 1022 N ILE A 66 7.448 -1.331 -3.257 1.00 0.00 N ATOM 1023 CA ILE A 66 6.430 -1.798 -2.325 1.00 0.00 C ATOM 1024 C ILE A 66 5.145 -0.989 -2.464 1.00 0.00 C ATOM 1025 O ILE A 66 4.065 -1.547 -2.662 1.00 0.00 O ATOM 1026 CB ILE A 66 6.920 -1.715 -0.867 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.177 -2.567 -0.679 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.823 -2.163 0.087 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.928 -4.052 -0.821 1.00 0.00 C ATOM 0 H ILE A 66 8.401 -1.376 -2.898 1.00 0.00 H new ATOM 0 HA ILE A 66 6.230 -2.840 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 66 7.169 -0.678 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.926 -2.261 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.595 -2.370 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.185 -2.099 1.113 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.952 -1.519 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.545 -3.193 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.863 -4.593 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.203 -4.372 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.539 -4.262 -1.817 1.00 0.00 H new ATOM 1041 N PHE A 67 5.268 0.330 -2.361 1.00 0.00 N ATOM 1042 CA PHE A 67 4.117 1.217 -2.476 1.00 0.00 C ATOM 1043 C PHE A 67 3.267 0.851 -3.690 1.00 0.00 C ATOM 1044 O PHE A 67 2.085 0.538 -3.561 1.00 0.00 O ATOM 1045 CB PHE A 67 4.576 2.673 -2.581 1.00 0.00 C ATOM 1046 CG PHE A 67 4.977 3.272 -1.263 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.129 3.203 -0.170 1.00 0.00 C ATOM 1048 CD2 PHE A 67 6.202 3.903 -1.118 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.496 3.754 1.044 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.574 4.455 0.093 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.720 4.380 1.176 1.00 0.00 C ATOM 0 H PHE A 67 6.154 0.808 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 67 3.508 1.099 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.420 2.731 -3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.772 3.269 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.171 2.714 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.874 3.964 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.826 3.695 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.532 4.945 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.009 4.810 2.124 1.00 0.00 H new ATOM 1061 N ASN A 68 3.881 0.893 -4.868 1.00 0.00 N ATOM 1062 CA ASN A 68 3.181 0.567 -6.106 1.00 0.00 C ATOM 1063 C ASN A 68 2.573 -0.830 -6.035 1.00 0.00 C ATOM 1064 O ASN A 68 1.430 -1.041 -6.438 1.00 0.00 O ATOM 1065 CB ASN A 68 4.138 0.660 -7.296 1.00 0.00 C ATOM 1066 CG ASN A 68 5.044 1.874 -7.217 1.00 0.00 C ATOM 1067 OD1 ASN A 68 4.625 2.947 -6.782 1.00 0.00 O ATOM 1068 ND2 ASN A 68 6.292 1.709 -7.640 1.00 0.00 N ATOM 0 H ASN A 68 4.861 1.149 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 68 2.375 1.288 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.748 -0.243 -7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.561 0.700 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.947 2.490 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.595 0.801 -7.993 1.00 0.00 H new ATOM 1075 N GLN A 69 3.346 -1.781 -5.520 1.00 0.00 N ATOM 1076 CA GLN A 69 2.883 -3.158 -5.396 1.00 0.00 C ATOM 1077 C GLN A 69 1.521 -3.215 -4.713 1.00 0.00 C ATOM 1078 O GLN A 69 0.720 -4.111 -4.980 1.00 0.00 O ATOM 1079 CB GLN A 69 3.897 -3.990 -4.610 1.00 0.00 C ATOM 1080 CG GLN A 69 5.322 -3.860 -5.125 1.00 0.00 C ATOM 1081 CD GLN A 69 6.148 -5.107 -4.877 1.00 0.00 C ATOM 1082 OE1 GLN A 69 7.011 -5.130 -3.999 1.00 0.00 O ATOM 1083 NE2 GLN A 69 5.887 -6.154 -5.652 1.00 0.00 N ATOM 0 H GLN A 69 4.295 -1.623 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 69 2.783 -3.573 -6.399 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.869 -3.687 -3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.601 -5.038 -4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.300 -3.650 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.802 -3.009 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.163 -6.091 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.411 -7.021 -5.531 1.00 0.00 H new ATOM 1092 N ILE A 70 1.266 -2.254 -3.831 1.00 0.00 N ATOM 1093 CA ILE A 70 0.001 -2.196 -3.111 1.00 0.00 C ATOM 1094 C ILE A 70 -1.074 -1.505 -3.943 1.00 0.00 C ATOM 1095 O ILE A 70 -2.196 -2.000 -4.064 1.00 0.00 O ATOM 1096 CB ILE A 70 0.151 -1.455 -1.769 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.081 -2.231 -0.834 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.211 -1.252 -1.121 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.703 -1.374 0.246 1.00 0.00 C ATOM 0 H ILE A 70 1.919 -1.506 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.299 -3.226 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 70 0.591 -0.476 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.520 -3.040 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.874 -2.691 -1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.089 -0.727 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.845 -0.662 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.677 -2.221 -0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.350 -1.989 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.291 -0.580 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.917 -0.934 0.860 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.725 -0.358 -4.516 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.659 0.401 -5.340 1.00 0.00 C ATOM 1113 C LEU A 71 -2.014 -0.366 -6.609 1.00 0.00 C ATOM 1114 O LEU A 71 -3.018 -0.078 -7.259 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.060 1.761 -5.703 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.051 2.826 -6.176 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.688 3.528 -4.987 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.359 3.832 -7.083 1.00 0.00 C ATOM 0 H LEU A 71 0.198 0.067 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.571 0.554 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.531 2.147 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.317 1.611 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.839 2.334 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.390 4.282 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.219 2.798 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.913 4.007 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.079 4.582 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.551 4.318 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.951 3.317 -7.953 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.184 -1.345 -6.954 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.412 -2.155 -8.145 1.00 0.00 C ATOM 1132 C GLN A 72 -2.630 -3.055 -7.967 1.00 0.00 C ATOM 1133 O GLN A 72 -3.104 -3.674 -8.921 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.177 -3.003 -8.455 1.00 0.00 C ATOM 1135 CG GLN A 72 0.888 -2.261 -9.245 1.00 0.00 C ATOM 1136 CD GLN A 72 1.953 -3.187 -9.801 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.647 -4.250 -10.342 1.00 0.00 O ATOM 1138 NE2 GLN A 72 3.212 -2.786 -9.670 1.00 0.00 N ATOM 0 H GLN A 72 -0.348 -1.596 -6.426 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.601 -1.481 -8.981 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.256 -3.355 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.484 -3.886 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.416 -1.722 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.358 -1.516 -8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.419 -1.897 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.972 -3.367 -10.025 1.00 0.00 H new ATOM 1147 N THR A 73 -3.135 -3.123 -6.739 1.00 0.00 N ATOM 1148 CA THR A 73 -4.297 -3.948 -6.435 1.00 0.00 C ATOM 1149 C THR A 73 -5.573 -3.115 -6.413 1.00 0.00 C ATOM 1150 O THR A 73 -6.665 -3.628 -6.654 1.00 0.00 O ATOM 1151 CB THR A 73 -4.140 -4.661 -5.078 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.472 -3.765 -4.012 1.00 0.00 O ATOM 1153 CG2 THR A 73 -2.718 -5.171 -4.896 1.00 0.00 C ATOM 0 H THR A 73 -2.757 -2.616 -5.939 1.00 0.00 H new ATOM 0 HA THR A 73 -4.368 -4.696 -7.225 1.00 0.00 H new ATOM 0 HB THR A 73 -4.819 -5.513 -5.059 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.763 -3.095 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.631 -5.671 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.480 -5.876 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.023 -4.332 -4.934 1.00 0.00 H new ATOM 1161 N MET A 74 -5.427 -1.825 -6.125 1.00 0.00 N ATOM 1162 CA MET A 74 -6.569 -0.920 -6.075 1.00 0.00 C ATOM 1163 C MET A 74 -6.332 0.304 -6.953 1.00 0.00 C ATOM 1164 O MET A 74 -6.594 1.441 -6.560 1.00 0.00 O ATOM 1165 CB MET A 74 -6.837 -0.483 -4.633 1.00 0.00 C ATOM 1166 CG MET A 74 -5.578 -0.355 -3.792 1.00 0.00 C ATOM 1167 SD MET A 74 -5.931 -0.204 -2.031 1.00 0.00 S ATOM 1168 CE MET A 74 -5.099 -1.657 -1.393 1.00 0.00 C ATOM 0 H MET A 74 -4.530 -1.384 -5.923 1.00 0.00 H new ATOM 0 HA MET A 74 -7.441 -1.454 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.356 0.475 -4.643 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.507 -1.203 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.945 -1.227 -3.958 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.013 0.517 -4.121 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.372 -1.803 -0.348 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.398 -2.531 -1.972 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.020 -1.522 -1.471 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.822 0.069 -8.172 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.539 1.141 -9.131 1.00 0.00 C ATOM 1180 C PRO A 75 -6.810 1.781 -9.678 1.00 0.00 C ATOM 1181 O PRO A 75 -6.773 2.874 -10.243 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.777 0.424 -10.249 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.227 -0.994 -10.164 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.485 -1.260 -8.707 1.00 0.00 C ATOM 0 HA PRO A 75 -4.983 1.960 -8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.006 0.855 -11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.699 0.506 -10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.129 -1.153 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.466 -1.669 -10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.301 -1.969 -8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.609 -1.681 -8.214 1.00 0.00 H new ATOM 1192 N ASP A 76 -7.934 1.093 -9.507 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.218 1.596 -9.982 1.00 0.00 C ATOM 1194 C ASP A 76 -10.164 1.859 -8.815 1.00 0.00 C ATOM 1195 O ASP A 76 -11.329 2.205 -9.014 1.00 0.00 O ATOM 1196 CB ASP A 76 -9.851 0.599 -10.954 1.00 0.00 C ATOM 1197 CG ASP A 76 -9.429 0.842 -12.389 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.541 1.996 -12.854 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -8.986 -0.122 -13.048 1.00 0.00 O ATOM 0 H ASP A 76 -7.982 0.186 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.042 2.538 -10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.573 -0.414 -10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.937 0.665 -10.882 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.656 1.692 -7.598 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.456 1.912 -6.400 1.00 0.00 C ATOM 1206 C ILE A 77 -9.764 2.879 -5.446 1.00 0.00 C ATOM 1207 O ILE A 77 -10.403 3.482 -4.585 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.735 0.590 -5.660 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.989 0.857 -4.174 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.572 -0.373 -5.839 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.317 -0.391 -3.384 1.00 0.00 C ATOM 0 H ILE A 77 -8.694 1.405 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.402 2.343 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.628 0.133 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.107 1.330 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.811 1.566 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.784 -1.302 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.433 -0.583 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.664 0.075 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.485 -0.127 -2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.217 -0.853 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.486 -1.093 -3.452 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.453 3.024 -5.608 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.673 3.921 -4.764 1.00 0.00 C ATOM 1225 C ALA A 78 -6.559 4.594 -5.559 1.00 0.00 C ATOM 1226 O ALA A 78 -6.227 4.166 -6.665 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.095 3.162 -3.579 1.00 0.00 C ATOM 0 H ALA A 78 -7.909 2.532 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.339 4.700 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.515 3.844 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.906 2.735 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.449 2.362 -3.940 1.00 0.00 H new ATOM 1233 N THR A 79 -5.985 5.649 -4.989 1.00 0.00 N ATOM 1234 CA THR A 79 -4.910 6.381 -5.646 1.00 0.00 C ATOM 1235 C THR A 79 -3.922 6.937 -4.627 1.00 0.00 C ATOM 1236 O THR A 79 -4.204 6.974 -3.429 1.00 0.00 O ATOM 1237 CB THR A 79 -5.459 7.541 -6.498 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.386 8.193 -7.186 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.198 8.548 -5.630 1.00 0.00 C ATOM 0 H THR A 79 -6.247 6.015 -4.074 1.00 0.00 H new ATOM 0 HA THR A 79 -4.397 5.673 -6.297 1.00 0.00 H new ATOM 0 HB THR A 79 -6.159 7.129 -7.225 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.743 8.928 -7.727 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.576 9.358 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.032 8.055 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.516 8.954 -4.883 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.762 7.371 -5.110 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.731 7.926 -4.241 1.00 0.00 C ATOM 1249 C PHE A 80 -2.203 9.228 -3.600 1.00 0.00 C ATOM 1250 O PHE A 80 -1.794 10.315 -4.006 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.444 8.170 -5.031 1.00 0.00 C ATOM 1252 CG PHE A 80 0.505 7.006 -5.005 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.124 6.626 -3.826 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.779 6.292 -6.161 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.998 5.556 -3.798 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.651 5.221 -6.140 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.263 4.853 -4.957 1.00 0.00 C ATOM 0 H PHE A 80 -2.513 7.349 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.531 7.204 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.700 8.397 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.060 9.048 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.921 7.173 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.305 6.576 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.473 5.270 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.854 4.672 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.947 4.017 -4.939 1.00 0.00 H new ATOM 1267 N SER A 81 -3.067 9.108 -2.597 1.00 0.00 N ATOM 1268 CA SER A 81 -3.598 10.275 -1.903 1.00 0.00 C ATOM 1269 C SER A 81 -2.483 11.259 -1.562 1.00 0.00 C ATOM 1270 O SER A 81 -2.591 12.455 -1.832 1.00 0.00 O ATOM 1271 CB SER A 81 -4.325 9.848 -0.626 1.00 0.00 C ATOM 1272 OG SER A 81 -4.973 10.950 -0.015 1.00 0.00 O ATOM 0 H SER A 81 -3.414 8.215 -2.247 1.00 0.00 H new ATOM 0 HA SER A 81 -4.306 10.771 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.058 9.076 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.613 9.408 0.072 1.00 0.00 H new ATOM 0 HG SER A 81 -5.431 10.650 0.798 1.00 0.00 H new ATOM 1278 N SER A 82 -1.412 10.745 -0.965 1.00 0.00 N ATOM 1279 CA SER A 82 -0.277 11.578 -0.583 1.00 0.00 C ATOM 1280 C SER A 82 1.036 10.947 -1.034 1.00 0.00 C ATOM 1281 O SER A 82 1.508 9.978 -0.439 1.00 0.00 O ATOM 1282 CB SER A 82 -0.261 11.789 0.933 1.00 0.00 C ATOM 1283 OG SER A 82 0.361 13.017 1.269 1.00 0.00 O ATOM 0 H SER A 82 -1.306 9.757 -0.736 1.00 0.00 H new ATOM 0 HA SER A 82 -0.384 12.544 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.281 11.778 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.269 10.966 1.413 1.00 0.00 H new ATOM 0 HG SER A 82 0.357 13.130 2.242 1.00 0.00 H new ATOM 1289 N ARG A 83 1.621 11.504 -2.089 1.00 0.00 N ATOM 1290 CA ARG A 83 2.880 10.996 -2.622 1.00 0.00 C ATOM 1291 C ARG A 83 3.828 10.601 -1.493 1.00 0.00 C ATOM 1292 O ARG A 83 3.972 11.307 -0.495 1.00 0.00 O ATOM 1293 CB ARG A 83 3.542 12.047 -3.515 1.00 0.00 C ATOM 1294 CG ARG A 83 2.999 12.069 -4.934 1.00 0.00 C ATOM 1295 CD ARG A 83 3.691 11.039 -5.812 1.00 0.00 C ATOM 1296 NE ARG A 83 3.008 10.861 -7.090 1.00 0.00 N ATOM 1297 CZ ARG A 83 3.406 10.003 -8.023 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.476 9.247 -7.820 1.00 0.00 N ATOM 1299 NH2 ARG A 83 2.731 9.898 -9.161 1.00 0.00 N ATOM 0 H ARG A 83 1.244 12.307 -2.592 1.00 0.00 H new ATOM 0 HA ARG A 83 2.662 10.109 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.404 13.031 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.615 11.859 -3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.927 11.873 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.135 13.063 -5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.721 11.349 -5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.732 10.085 -5.287 1.00 0.00 H new ATOM 0 HE ARG A 83 2.180 11.426 -7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.996 9.323 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.779 8.589 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.906 10.476 -9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.037 9.239 -9.877 1.00 0.00 H new ATOM 1313 N PRO A 84 4.490 9.446 -1.653 1.00 0.00 N ATOM 1314 CA PRO A 84 5.436 8.931 -0.659 1.00 0.00 C ATOM 1315 C PRO A 84 6.711 9.765 -0.585 1.00 0.00 C ATOM 1316 O PRO A 84 7.242 10.198 -1.607 1.00 0.00 O ATOM 1317 CB PRO A 84 5.749 7.520 -1.163 1.00 0.00 C ATOM 1318 CG PRO A 84 5.496 7.578 -2.630 1.00 0.00 C ATOM 1319 CD PRO A 84 4.368 8.553 -2.818 1.00 0.00 C ATOM 0 HA PRO A 84 5.021 8.956 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.782 7.243 -0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.114 6.777 -0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.387 7.904 -3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.231 6.595 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.463 9.101 -3.756 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.401 8.050 -2.839 1.00 0.00 H new ATOM 1327 N LYS A 85 7.197 9.987 0.632 1.00 0.00 N ATOM 1328 CA LYS A 85 8.411 10.768 0.840 1.00 0.00 C ATOM 1329 C LYS A 85 9.322 10.094 1.861 1.00 0.00 C ATOM 1330 O LYS A 85 8.899 9.196 2.588 1.00 0.00 O ATOM 1331 CB LYS A 85 8.058 12.181 1.309 1.00 0.00 C ATOM 1332 CG LYS A 85 7.549 12.239 2.739 1.00 0.00 C ATOM 1333 CD LYS A 85 6.059 11.952 2.812 1.00 0.00 C ATOM 1334 CE LYS A 85 5.645 11.508 4.207 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.941 12.548 5.231 1.00 0.00 N ATOM 0 H LYS A 85 6.769 9.637 1.489 1.00 0.00 H new ATOM 0 HA LYS A 85 8.942 10.829 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.940 12.815 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.299 12.596 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.090 11.515 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.752 13.224 3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.501 12.846 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.801 11.177 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.578 11.284 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.167 10.586 4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.739 12.170 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.944 12.818 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.347 13.384 5.058 1.00 0.00 H new ATOM 1349 N ALA A 86 10.575 10.536 1.911 1.00 0.00 N ATOM 1350 CA ALA A 86 11.544 9.978 2.846 1.00 0.00 C ATOM 1351 C ALA A 86 11.353 10.554 4.245 1.00 0.00 C ATOM 1352 O ALA A 86 11.615 11.734 4.481 1.00 0.00 O ATOM 1353 CB ALA A 86 12.961 10.238 2.355 1.00 0.00 C ATOM 0 H ALA A 86 10.942 11.278 1.315 1.00 0.00 H new ATOM 0 HA ALA A 86 11.381 8.902 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.674 9.816 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.099 9.772 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.126 11.312 2.271 1.00 0.00 H new ATOM 1359 N ILE A 87 10.894 9.715 5.167 1.00 0.00 N ATOM 1360 CA ILE A 87 10.668 10.142 6.543 1.00 0.00 C ATOM 1361 C ILE A 87 11.702 9.533 7.484 1.00 0.00 C ATOM 1362 O ILE A 87 12.396 8.581 7.128 1.00 0.00 O ATOM 1363 CB ILE A 87 9.258 9.755 7.028 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.125 8.234 7.116 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.201 10.332 6.097 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.146 7.773 8.173 1.00 0.00 C ATOM 0 H ILE A 87 10.671 8.736 4.987 1.00 0.00 H new ATOM 0 HA ILE A 87 10.763 11.228 6.556 1.00 0.00 H new ATOM 0 HB ILE A 87 9.105 10.172 8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.809 7.848 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.104 7.803 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.210 10.050 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.285 11.419 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.350 9.941 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.103 6.684 8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.472 8.128 9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.157 8.174 7.952 1.00 0.00 H new ATOM 1378 N ARG A 88 11.798 10.089 8.688 1.00 0.00 N ATOM 1379 CA ARG A 88 12.746 9.601 9.681 1.00 0.00 C ATOM 1380 C ARG A 88 14.176 9.682 9.154 1.00 0.00 C ATOM 1381 O ARG A 88 15.042 8.907 9.557 1.00 0.00 O ATOM 1382 CB ARG A 88 12.415 8.158 10.068 1.00 0.00 C ATOM 1383 CG ARG A 88 11.144 8.024 10.891 1.00 0.00 C ATOM 1384 CD ARG A 88 11.162 6.765 11.742 1.00 0.00 C ATOM 1385 NE ARG A 88 11.951 6.938 12.959 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.833 6.159 14.029 1.00 0.00 C ATOM 1387 NH1 ARG A 88 10.962 5.159 14.032 1.00 0.00 N ATOM 1388 NH2 ARG A 88 12.586 6.380 15.098 1.00 0.00 N ATOM 0 H ARG A 88 11.230 10.878 8.998 1.00 0.00 H new ATOM 0 HA ARG A 88 12.666 10.234 10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.315 7.561 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.249 7.742 10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.032 8.897 11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.280 8.003 10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.141 6.493 12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.571 5.939 11.159 1.00 0.00 H new ATOM 0 HE ARG A 88 12.630 7.699 12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.381 4.986 13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.873 4.562 14.855 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.257 7.149 15.099 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.495 5.781 15.919 1.00 0.00 H new ATOM 1402 N GLY A 89 14.415 10.627 8.250 1.00 0.00 N ATOM 1403 CA GLY A 89 15.740 10.792 7.682 1.00 0.00 C ATOM 1404 C GLY A 89 15.930 9.988 6.411 1.00 0.00 C ATOM 1405 O GLY A 89 17.029 9.936 5.860 1.00 0.00 O ATOM 0 H GLY A 89 13.715 11.281 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.912 11.847 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.487 10.488 8.416 1.00 0.00 H new ATOM 1409 N GLY A 90 14.856 9.358 5.944 1.00 0.00 N ATOM 1410 CA GLY A 90 14.932 8.560 4.735 1.00 0.00 C ATOM 1411 C GLY A 90 14.932 7.071 5.022 1.00 0.00 C ATOM 1412 O GLY A 90 14.647 6.261 4.139 1.00 0.00 O ATOM 0 H GLY A 90 13.935 9.386 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.088 8.802 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.837 8.821 4.187 1.00 0.00 H new ATOM 1416 N THR A 91 15.255 6.709 6.259 1.00 0.00 N ATOM 1417 CA THR A 91 15.294 5.308 6.660 1.00 0.00 C ATOM 1418 C THR A 91 13.972 4.612 6.358 1.00 0.00 C ATOM 1419 O THR A 91 13.918 3.390 6.228 1.00 0.00 O ATOM 1420 CB THR A 91 15.608 5.161 8.160 1.00 0.00 C ATOM 1421 OG1 THR A 91 14.594 5.807 8.938 1.00 0.00 O ATOM 1422 CG2 THR A 91 16.967 5.760 8.490 1.00 0.00 C ATOM 0 H THR A 91 15.494 7.367 7.001 1.00 0.00 H new ATOM 0 HA THR A 91 16.089 4.837 6.083 1.00 0.00 H new ATOM 0 HB THR A 91 15.629 4.098 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.824 6.752 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.167 5.644 9.555 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.740 5.246 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.970 6.819 8.233 1.00 0.00 H new ATOM 1430 N ALA A 92 12.906 5.399 6.248 1.00 0.00 N ATOM 1431 CA ALA A 92 11.584 4.859 5.959 1.00 0.00 C ATOM 1432 C ALA A 92 10.772 5.823 5.101 1.00 0.00 C ATOM 1433 O ALA A 92 11.207 6.941 4.826 1.00 0.00 O ATOM 1434 CB ALA A 92 10.846 4.550 7.253 1.00 0.00 C ATOM 0 H ALA A 92 12.933 6.413 6.355 1.00 0.00 H new ATOM 0 HA ALA A 92 11.712 3.934 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.860 4.147 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.412 3.817 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.737 5.464 7.837 1.00 0.00 H new ATOM 1440 N SER A 93 9.590 5.383 4.681 1.00 0.00 N ATOM 1441 CA SER A 93 8.719 6.207 3.851 1.00 0.00 C ATOM 1442 C SER A 93 7.275 6.133 4.339 1.00 0.00 C ATOM 1443 O SER A 93 6.822 5.093 4.815 1.00 0.00 O ATOM 1444 CB SER A 93 8.799 5.759 2.390 1.00 0.00 C ATOM 1445 OG SER A 93 8.171 6.698 1.534 1.00 0.00 O ATOM 0 H SER A 93 9.214 4.461 4.902 1.00 0.00 H new ATOM 0 HA SER A 93 9.057 7.240 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.843 5.639 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.323 4.785 2.278 1.00 0.00 H new ATOM 0 HG SER A 93 8.377 7.607 1.838 1.00 0.00 H new ATOM 1451 N MET A 94 6.558 7.245 4.215 1.00 0.00 N ATOM 1452 CA MET A 94 5.165 7.307 4.642 1.00 0.00 C ATOM 1453 C MET A 94 4.269 7.790 3.506 1.00 0.00 C ATOM 1454 O MET A 94 4.662 8.650 2.716 1.00 0.00 O ATOM 1455 CB MET A 94 5.020 8.234 5.850 1.00 0.00 C ATOM 1456 CG MET A 94 3.676 8.115 6.551 1.00 0.00 C ATOM 1457 SD MET A 94 3.175 9.647 7.357 1.00 0.00 S ATOM 1458 CE MET A 94 2.183 10.399 6.069 1.00 0.00 C ATOM 0 H MET A 94 6.918 8.115 3.823 1.00 0.00 H new ATOM 0 HA MET A 94 4.853 6.302 4.925 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.813 8.013 6.564 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.161 9.265 5.525 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.916 7.826 5.825 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.727 7.318 7.293 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.082 11.467 6.264 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.667 10.250 5.104 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.195 9.938 6.055 1.00 0.00 H new ATOM 1468 N CYS A 95 3.066 7.232 3.429 1.00 0.00 N ATOM 1469 CA CYS A 95 2.115 7.606 2.388 1.00 0.00 C ATOM 1470 C CYS A 95 0.688 7.270 2.809 1.00 0.00 C ATOM 1471 O CYS A 95 0.469 6.597 3.816 1.00 0.00 O ATOM 1472 CB CYS A 95 2.455 6.893 1.078 1.00 0.00 C ATOM 1473 SG CYS A 95 1.827 5.200 0.976 1.00 0.00 S ATOM 0 H CYS A 95 2.726 6.519 4.075 1.00 0.00 H new ATOM 0 HA CYS A 95 2.185 8.683 2.236 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.050 7.470 0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.538 6.876 0.956 1.00 0.00 H new ATOM 0 HG CYS A 95 2.818 4.380 0.784 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.280 7.744 2.032 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.687 7.495 2.325 1.00 0.00 C ATOM 1481 C VAL A 96 -2.450 7.108 1.063 1.00 0.00 C ATOM 1482 O VAL A 96 -2.067 7.480 -0.046 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.356 8.730 2.957 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.792 8.417 3.349 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.558 9.209 4.161 1.00 0.00 C ATOM 0 H VAL A 96 -0.116 8.303 1.195 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.721 6.669 3.035 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.373 9.531 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.249 9.301 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.355 8.124 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.802 7.601 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.044 10.082 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.508 8.413 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.549 9.475 3.846 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.532 6.357 1.240 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.350 5.918 0.115 1.00 0.00 C ATOM 1497 C PHE A 97 -5.784 6.419 0.258 1.00 0.00 C ATOM 1498 O PHE A 97 -6.387 6.314 1.326 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.339 4.391 0.015 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.982 3.820 -0.282 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.990 3.819 0.685 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.699 3.284 -1.528 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.740 3.295 0.414 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.451 2.757 -1.805 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.471 2.762 -0.832 1.00 0.00 C ATOM 0 H PHE A 97 -3.863 6.040 2.151 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.926 6.338 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.704 3.971 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.034 4.081 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.196 4.232 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.462 3.278 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.026 3.302 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.243 2.342 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.504 2.350 -1.045 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.325 6.965 -0.827 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.687 7.484 -0.823 1.00 0.00 C ATOM 1517 C ARG A 98 -8.475 6.952 -2.017 1.00 0.00 C ATOM 1518 O ARG A 98 -7.948 6.199 -2.836 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.672 9.014 -0.849 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.379 9.597 -2.222 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.291 11.114 -2.176 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.608 11.741 -2.261 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.826 13.028 -2.014 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.821 13.820 -1.669 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -10.053 13.525 -2.113 1.00 0.00 N ATOM 0 H ARG A 98 -5.840 7.059 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.175 7.147 0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.638 9.384 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.923 9.374 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.442 9.188 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.161 9.298 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.802 11.421 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.668 11.466 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.403 11.159 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.877 13.442 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.992 14.808 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.829 12.919 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.220 14.513 -1.923 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.741 7.348 -2.108 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.602 6.911 -3.201 1.00 0.00 C ATOM 1541 C HIS A 99 -10.450 7.826 -4.412 1.00 0.00 C ATOM 1542 O HIS A 99 -10.128 9.007 -4.274 1.00 0.00 O ATOM 1543 CB HIS A 99 -12.062 6.882 -2.748 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.980 6.217 -3.727 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.531 6.873 -4.807 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.441 4.946 -3.785 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.293 6.035 -5.487 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.255 4.859 -4.887 1.00 0.00 N ATOM 0 H HIS A 99 -10.193 7.970 -1.438 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.299 5.904 -3.489 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.127 6.363 -1.792 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.402 7.904 -2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.211 4.149 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.852 6.271 -6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.750 4.022 -5.193 1.00 0.00 H new ATOM 1557 N LEU A 100 -10.682 7.274 -5.597 1.00 0.00 N ATOM 1558 CA LEU A 100 -10.570 8.041 -6.833 1.00 0.00 C ATOM 1559 C LEU A 100 -11.649 9.117 -6.906 1.00 0.00 C ATOM 1560 O LEU A 100 -12.809 8.828 -7.201 1.00 0.00 O ATOM 1561 CB LEU A 100 -10.677 7.113 -8.044 1.00 0.00 C ATOM 1562 CG LEU A 100 -9.362 6.523 -8.556 1.00 0.00 C ATOM 1563 CD1 LEU A 100 -9.630 5.377 -9.519 1.00 0.00 C ATOM 1564 CD2 LEU A 100 -8.520 7.600 -9.226 1.00 0.00 C ATOM 0 H LEU A 100 -10.949 6.298 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.595 8.529 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.346 6.291 -7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.146 7.664 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.805 6.132 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.683 4.970 -9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.192 4.596 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.207 5.743 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.588 7.163 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.070 8.021 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.298 8.388 -8.507 1.00 0.00 H new ATOM 1576 N SER A 101 -11.259 10.359 -6.638 1.00 0.00 N ATOM 1577 CA SER A 101 -12.193 11.478 -6.671 1.00 0.00 C ATOM 1578 C SER A 101 -12.938 11.523 -8.002 1.00 0.00 C ATOM 1579 O SER A 101 -14.004 12.129 -8.109 1.00 0.00 O ATOM 1580 CB SER A 101 -11.451 12.796 -6.444 1.00 0.00 C ATOM 1581 OG SER A 101 -10.714 13.172 -7.594 1.00 0.00 O ATOM 0 H SER A 101 -10.302 10.616 -6.395 1.00 0.00 H new ATOM 0 HA SER A 101 -12.920 11.337 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.165 13.580 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.777 12.695 -5.593 1.00 0.00 H new ATOM 0 HG SER A 101 -10.251 14.018 -7.423 1.00 0.00 H new ATOM 1587 N LYS A 102 -12.369 10.878 -9.014 1.00 0.00 N ATOM 1588 CA LYS A 102 -12.977 10.842 -10.339 1.00 0.00 C ATOM 1589 C LYS A 102 -13.999 9.715 -10.438 1.00 0.00 C ATOM 1590 O LYS A 102 -13.923 8.727 -9.706 1.00 0.00 O ATOM 1591 CB LYS A 102 -11.901 10.666 -11.412 1.00 0.00 C ATOM 1592 CG LYS A 102 -12.282 11.257 -12.758 1.00 0.00 C ATOM 1593 CD LYS A 102 -12.066 12.761 -12.788 1.00 0.00 C ATOM 1594 CE LYS A 102 -10.649 13.112 -13.215 1.00 0.00 C ATOM 1595 NZ LYS A 102 -10.539 14.529 -13.660 1.00 0.00 N ATOM 0 H LYS A 102 -11.486 10.372 -8.942 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.491 11.789 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.977 11.132 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.695 9.603 -11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.689 10.788 -13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.327 11.034 -12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.778 13.218 -13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.263 13.178 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.966 12.938 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.340 12.452 -14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.558 14.729 -13.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.172 14.689 -14.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.810 15.160 -12.879 1.00 0.00 H new ATOM 1609 N LYS A 103 -14.955 9.867 -11.348 1.00 0.00 N ATOM 1610 CA LYS A 103 -15.991 8.860 -11.545 1.00 0.00 C ATOM 1611 C LYS A 103 -15.425 7.625 -12.239 1.00 0.00 C ATOM 1612 O LYS A 103 -15.802 7.308 -13.366 1.00 0.00 O ATOM 1613 CB LYS A 103 -17.142 9.439 -12.371 1.00 0.00 C ATOM 1614 CG LYS A 103 -18.417 8.616 -12.298 1.00 0.00 C ATOM 1615 CD LYS A 103 -19.213 8.931 -11.043 1.00 0.00 C ATOM 1616 CE LYS A 103 -20.666 8.504 -11.182 1.00 0.00 C ATOM 1617 NZ LYS A 103 -21.462 9.493 -11.961 1.00 0.00 N ATOM 0 H LYS A 103 -15.034 10.678 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.367 8.564 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -17.353 10.451 -12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -16.828 9.516 -13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -19.030 8.814 -13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -18.168 7.555 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.764 8.424 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.165 10.001 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -20.714 7.532 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -21.105 8.383 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -22.447 9.166 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -21.438 10.415 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -21.058 9.590 -12.914 1.00 0.00 H new ATOM 1631 N GLU A 104 -14.519 6.932 -11.556 1.00 0.00 N ATOM 1632 CA GLU A 104 -13.903 5.731 -12.108 1.00 0.00 C ATOM 1633 C GLU A 104 -13.931 4.590 -11.095 1.00 0.00 C ATOM 1634 O GLU A 104 -13.116 4.543 -10.175 1.00 0.00 O ATOM 1635 CB GLU A 104 -12.459 6.019 -12.527 1.00 0.00 C ATOM 1636 CG GLU A 104 -12.332 6.550 -13.945 1.00 0.00 C ATOM 1637 CD GLU A 104 -10.907 6.500 -14.461 1.00 0.00 C ATOM 1638 OE1 GLU A 104 -9.989 6.876 -13.704 1.00 0.00 O ATOM 1639 OE2 GLU A 104 -10.711 6.084 -15.622 1.00 0.00 O ATOM 0 H GLU A 104 -14.196 7.181 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.476 5.430 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.027 6.743 -11.837 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.874 5.104 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.974 5.968 -14.606 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.690 7.579 -13.977 1.00 0.00 H new ATOM 1646 N GLU A 105 -14.878 3.673 -11.272 1.00 0.00 N ATOM 1647 CA GLU A 105 -15.014 2.533 -10.372 1.00 0.00 C ATOM 1648 C GLU A 105 -15.185 1.237 -11.159 1.00 0.00 C ATOM 1649 O GLU A 105 -16.251 0.971 -11.715 1.00 0.00 O ATOM 1650 CB GLU A 105 -16.206 2.735 -9.434 1.00 0.00 C ATOM 1651 CG GLU A 105 -16.025 3.887 -8.460 1.00 0.00 C ATOM 1652 CD GLU A 105 -17.318 4.273 -7.768 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -17.994 3.372 -7.229 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -17.654 5.476 -7.765 1.00 0.00 O ATOM 0 H GLU A 105 -15.561 3.697 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.103 2.460 -9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -17.101 2.912 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.374 1.817 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.284 3.611 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.631 4.751 -8.994 1.00 0.00 H new ATOM 1661 N LYS A 106 -14.127 0.434 -11.202 1.00 0.00 N ATOM 1662 CA LYS A 106 -14.158 -0.835 -11.919 1.00 0.00 C ATOM 1663 C LYS A 106 -14.392 -1.997 -10.959 1.00 0.00 C ATOM 1664 O LYS A 106 -13.931 -3.114 -11.197 1.00 0.00 O ATOM 1665 CB LYS A 106 -12.848 -1.046 -12.682 1.00 0.00 C ATOM 1666 CG LYS A 106 -12.921 -2.150 -13.722 1.00 0.00 C ATOM 1667 CD LYS A 106 -13.404 -1.623 -15.063 1.00 0.00 C ATOM 1668 CE LYS A 106 -12.844 -2.439 -16.217 1.00 0.00 C ATOM 1669 NZ LYS A 106 -13.569 -2.168 -17.490 1.00 0.00 N ATOM 0 H LYS A 106 -13.237 0.640 -10.748 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.984 -0.802 -12.630 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.569 -0.114 -13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.056 -1.281 -11.970 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.937 -2.604 -13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.594 -2.934 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.493 -1.647 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.105 -0.581 -15.174 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.786 -2.209 -16.345 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.913 -3.500 -15.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.158 -2.743 -18.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.574 -2.411 -17.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.482 -1.160 -17.731 1.00 0.00 H new ATOM 1683 N SER A 107 -15.112 -1.727 -9.874 1.00 0.00 N ATOM 1684 CA SER A 107 -15.405 -2.750 -8.877 1.00 0.00 C ATOM 1685 C SER A 107 -16.885 -2.740 -8.508 1.00 0.00 C ATOM 1686 O SER A 107 -17.425 -1.718 -8.088 1.00 0.00 O ATOM 1687 CB SER A 107 -14.554 -2.530 -7.625 1.00 0.00 C ATOM 1688 OG SER A 107 -14.573 -3.673 -6.788 1.00 0.00 O ATOM 0 H SER A 107 -15.503 -0.809 -9.663 1.00 0.00 H new ATOM 0 HA SER A 107 -15.162 -3.722 -9.307 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.528 -2.304 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 107 -14.927 -1.666 -7.075 1.00 0.00 H new ATOM 0 HG SER A 107 -14.020 -3.508 -5.996 1.00 0.00 H new ATOM 1694 N GLY A 108 -17.536 -3.889 -8.668 1.00 0.00 N ATOM 1695 CA GLY A 108 -18.948 -3.992 -8.348 1.00 0.00 C ATOM 1696 C GLY A 108 -19.830 -3.896 -9.577 1.00 0.00 C ATOM 1697 O GLY A 108 -19.394 -4.143 -10.701 1.00 0.00 O ATOM 0 H GLY A 108 -17.111 -4.749 -9.013 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -19.135 -4.940 -7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -19.217 -3.201 -7.649 1.00 0.00 H new ATOM 1701 N PRO A 109 -21.103 -3.530 -9.369 1.00 0.00 N ATOM 1702 CA PRO A 109 -22.076 -3.394 -10.457 1.00 0.00 C ATOM 1703 C PRO A 109 -21.776 -2.200 -11.357 1.00 0.00 C ATOM 1704 O PRO A 109 -21.211 -1.201 -10.911 1.00 0.00 O ATOM 1705 CB PRO A 109 -23.404 -3.191 -9.723 1.00 0.00 C ATOM 1706 CG PRO A 109 -23.023 -2.613 -8.404 1.00 0.00 C ATOM 1707 CD PRO A 109 -21.691 -3.219 -8.055 1.00 0.00 C ATOM 0 HA PRO A 109 -22.069 -4.259 -11.121 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -24.062 -2.520 -10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -23.938 -4.134 -9.603 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -22.955 -1.527 -8.459 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -23.769 -2.848 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -21.069 -2.524 -7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -21.805 -4.114 -7.444 1.00 0.00 H new ATOM 1715 N SER A 110 -22.160 -2.309 -12.625 1.00 0.00 N ATOM 1716 CA SER A 110 -21.929 -1.239 -13.588 1.00 0.00 C ATOM 1717 C SER A 110 -22.520 0.077 -13.090 1.00 0.00 C ATOM 1718 O SER A 110 -23.671 0.403 -13.381 1.00 0.00 O ATOM 1719 CB SER A 110 -22.538 -1.603 -14.943 1.00 0.00 C ATOM 1720 OG SER A 110 -21.622 -2.343 -15.732 1.00 0.00 O ATOM 0 H SER A 110 -22.632 -3.127 -13.009 1.00 0.00 H new ATOM 0 HA SER A 110 -20.852 -1.114 -13.703 1.00 0.00 H new ATOM 0 HB2 SER A 110 -23.446 -2.186 -14.792 1.00 0.00 H new ATOM 0 HB3 SER A 110 -22.827 -0.694 -15.471 1.00 0.00 H new ATOM 0 HG SER A 110 -22.036 -2.565 -16.592 1.00 0.00 H new ATOM 1726 N SER A 111 -21.723 0.829 -12.337 1.00 0.00 N ATOM 1727 CA SER A 111 -22.167 2.108 -11.795 1.00 0.00 C ATOM 1728 C SER A 111 -22.723 3.003 -12.899 1.00 0.00 C ATOM 1729 O SER A 111 -22.022 3.338 -13.853 1.00 0.00 O ATOM 1730 CB SER A 111 -21.011 2.813 -11.084 1.00 0.00 C ATOM 1731 OG SER A 111 -21.443 4.020 -10.481 1.00 0.00 O ATOM 0 H SER A 111 -20.767 0.575 -12.089 1.00 0.00 H new ATOM 0 HA SER A 111 -22.962 1.913 -11.075 1.00 0.00 H new ATOM 0 HB2 SER A 111 -20.591 2.154 -10.325 1.00 0.00 H new ATOM 0 HB3 SER A 111 -20.215 3.024 -11.798 1.00 0.00 H new ATOM 0 HG SER A 111 -20.686 4.450 -10.032 1.00 0.00 H new ATOM 1737 N GLY A 112 -23.988 3.387 -12.760 1.00 0.00 N ATOM 1738 CA GLY A 112 -24.618 4.239 -13.752 1.00 0.00 C ATOM 1739 C GLY A 112 -25.785 5.022 -13.186 1.00 0.00 C ATOM 1740 O GLY A 112 -26.824 4.450 -12.857 1.00 0.00 O ATOM 0 H GLY A 112 -24.588 3.123 -11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -23.879 4.933 -14.153 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -24.965 3.627 -14.585 1.00 0.00 H new TER 1744 GLY A 112