USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 502 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 3 HIS : no HD1:sc=-0.00641 K(o=1.7,f=-8.5!) USER MOD Set 1.2: A 34 SER OG : rot -109:sc= 0.778 USER MOD Set 1.3: A 41 GLN : amide:sc= 0.944 K(o=1.7,f=-4.2!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot -119:sc= 0.686 USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -127:sc= -2.48 (180deg=-5.86!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0569 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.013 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.457) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.78) USER MOD Single : A 30 SER OG : rot 180:sc= -1.43 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 48 THR OG1 : rot 71:sc= 0.827 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 54 THR OG1 : rot -160:sc= -1.82! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.655 -3.789 0.927 1.00 0.00 N ATOM 2 CA MET A 1 0.342 -3.224 -0.010 1.00 0.00 C ATOM 3 C MET A 1 -0.145 -1.892 -0.573 1.00 0.00 C ATOM 4 O MET A 1 0.057 -0.839 0.034 1.00 0.00 O ATOM 5 CB MET A 1 0.618 -4.209 -1.147 1.00 0.00 C ATOM 6 CG MET A 1 2.086 -4.563 -1.299 1.00 0.00 C ATOM 7 SD MET A 1 3.012 -3.306 -2.199 1.00 0.00 S ATOM 8 CE MET A 1 4.543 -3.287 -1.271 1.00 0.00 C ATOM 0 H1 MET A 1 -0.306 -4.695 1.300 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.807 -3.126 1.714 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.553 -3.943 0.426 1.00 0.00 H new ATOM 0 HA MET A 1 1.269 -3.050 0.537 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.049 -5.122 -0.972 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.257 -3.782 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.528 -4.697 -0.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.174 -5.516 -1.820 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.224 -2.556 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.337 -3.019 -0.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.002 -4.275 -1.306 1.00 0.00 H new ATOM 20 N THR A 2 -0.793 -1.940 -1.727 1.00 0.00 N ATOM 21 CA THR A 2 -1.289 -0.741 -2.375 1.00 0.00 C ATOM 22 C THR A 2 -2.768 -0.535 -2.067 1.00 0.00 C ATOM 23 O THR A 2 -3.533 -1.498 -1.973 1.00 0.00 O ATOM 24 CB THR A 2 -1.083 -0.829 -3.897 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.154 -1.883 -4.198 1.00 0.00 O ATOM 26 CG2 THR A 2 -0.560 0.488 -4.455 1.00 0.00 C ATOM 0 H THR A 2 -0.987 -2.803 -2.235 1.00 0.00 H new ATOM 0 HA THR A 2 -0.728 0.110 -1.988 1.00 0.00 H new ATOM 0 HB THR A 2 -2.046 -1.041 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.025 -1.939 -5.168 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.423 0.398 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.277 1.282 -4.245 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.395 0.728 -3.987 1.00 0.00 H new ATOM 34 N HIS A 3 -3.167 0.714 -1.878 1.00 0.00 N ATOM 35 CA HIS A 3 -4.562 1.027 -1.613 1.00 0.00 C ATOM 36 C HIS A 3 -5.232 1.591 -2.850 1.00 0.00 C ATOM 37 O HIS A 3 -4.696 2.464 -3.530 1.00 0.00 O ATOM 38 CB HIS A 3 -4.705 2.031 -0.475 1.00 0.00 C ATOM 39 CG HIS A 3 -4.537 1.442 0.895 1.00 0.00 C ATOM 40 ND1 HIS A 3 -4.446 2.206 2.040 1.00 0.00 N ATOM 41 CD2 HIS A 3 -4.462 0.153 1.300 1.00 0.00 C ATOM 42 CE1 HIS A 3 -4.328 1.412 3.086 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.334 0.159 2.667 1.00 0.00 N ATOM 0 H HIS A 3 -2.547 1.524 -1.903 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.047 0.094 -1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.968 2.822 -0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.688 2.497 -0.539 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.496 -0.720 0.665 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.241 1.732 4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.256 -0.667 3.261 1.00 0.00 H new ATOM 52 N LEU A 4 -6.417 1.096 -3.109 1.00 0.00 N ATOM 53 CA LEU A 4 -7.222 1.551 -4.231 1.00 0.00 C ATOM 54 C LEU A 4 -8.517 2.145 -3.704 1.00 0.00 C ATOM 55 O LEU A 4 -8.919 1.851 -2.579 1.00 0.00 O ATOM 56 CB LEU A 4 -7.512 0.397 -5.196 1.00 0.00 C ATOM 57 CG LEU A 4 -7.024 0.614 -6.631 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.558 0.227 -6.765 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.876 -0.182 -7.609 1.00 0.00 C ATOM 0 H LEU A 4 -6.857 0.365 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.671 2.313 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.050 -0.509 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.588 0.222 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.121 1.673 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.231 0.389 -7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.957 0.839 -6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.434 -0.825 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.515 -0.016 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.810 -1.243 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.914 0.143 -7.535 1.00 0.00 H new ATOM 71 N LYS A 5 -9.167 2.977 -4.495 1.00 0.00 N ATOM 72 CA LYS A 5 -10.364 3.654 -4.039 1.00 0.00 C ATOM 73 C LYS A 5 -11.565 3.237 -4.870 1.00 0.00 C ATOM 74 O LYS A 5 -11.537 3.307 -6.100 1.00 0.00 O ATOM 75 CB LYS A 5 -10.169 5.168 -4.104 1.00 0.00 C ATOM 76 CG LYS A 5 -11.360 5.962 -3.594 1.00 0.00 C ATOM 77 CD LYS A 5 -11.466 5.899 -2.079 1.00 0.00 C ATOM 78 CE LYS A 5 -12.906 6.047 -1.619 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.020 6.037 -0.136 1.00 0.00 N ATOM 0 H LYS A 5 -8.888 3.199 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.551 3.369 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.288 5.437 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.968 5.455 -5.136 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.268 7.001 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.275 5.573 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.064 4.950 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.858 6.688 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.317 6.978 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.505 5.236 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.018 6.140 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.651 5.138 0.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.470 6.826 0.260 1.00 0.00 H new ATOM 93 N ILE A 6 -12.608 2.789 -4.193 1.00 0.00 N ATOM 94 CA ILE A 6 -13.843 2.426 -4.859 1.00 0.00 C ATOM 95 C ILE A 6 -14.689 3.680 -5.062 1.00 0.00 C ATOM 96 O ILE A 6 -14.887 4.464 -4.129 1.00 0.00 O ATOM 97 CB ILE A 6 -14.617 1.347 -4.049 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.397 -0.037 -4.668 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.108 1.650 -3.966 1.00 0.00 C ATOM 100 CD1 ILE A 6 -12.999 -0.581 -4.462 1.00 0.00 C ATOM 0 H ILE A 6 -12.622 2.668 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.614 1.991 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.223 1.360 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.116 -0.735 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.603 0.016 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.606 0.869 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.257 2.612 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.529 1.685 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.919 -1.563 -4.927 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.275 0.096 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.796 -0.667 -3.395 1.00 0.00 H new ATOM 112 N THR A 7 -15.154 3.888 -6.284 1.00 0.00 N ATOM 113 CA THR A 7 -15.920 5.076 -6.608 1.00 0.00 C ATOM 114 C THR A 7 -17.187 4.700 -7.367 1.00 0.00 C ATOM 115 O THR A 7 -17.271 3.622 -7.964 1.00 0.00 O ATOM 116 CB THR A 7 -15.074 6.075 -7.425 1.00 0.00 C ATOM 117 OG1 THR A 7 -13.802 5.488 -7.735 1.00 0.00 O ATOM 118 CG2 THR A 7 -14.856 7.367 -6.649 1.00 0.00 C ATOM 0 H THR A 7 -15.013 3.248 -7.066 1.00 0.00 H new ATOM 0 HA THR A 7 -16.205 5.562 -5.675 1.00 0.00 H new ATOM 0 HB THR A 7 -15.612 6.307 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.087 6.028 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.257 8.054 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.820 7.825 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.335 7.148 -5.717 1.00 0.00 H new ATOM 126 N GLY A 8 -18.176 5.574 -7.326 1.00 0.00 N ATOM 127 CA GLY A 8 -19.477 5.237 -7.854 1.00 0.00 C ATOM 128 C GLY A 8 -20.278 4.503 -6.811 1.00 0.00 C ATOM 129 O GLY A 8 -21.310 4.982 -6.349 1.00 0.00 O ATOM 0 H GLY A 8 -18.101 6.513 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.002 6.143 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.369 4.618 -8.744 1.00 0.00 H new ATOM 133 N MET A 9 -19.790 3.329 -6.436 1.00 0.00 N ATOM 134 CA MET A 9 -20.321 2.611 -5.294 1.00 0.00 C ATOM 135 C MET A 9 -19.621 3.086 -4.030 1.00 0.00 C ATOM 136 O MET A 9 -18.650 3.840 -4.105 1.00 0.00 O ATOM 137 CB MET A 9 -20.135 1.116 -5.471 1.00 0.00 C ATOM 138 CG MET A 9 -20.152 0.717 -6.917 1.00 0.00 C ATOM 139 SD MET A 9 -18.894 -0.507 -7.325 1.00 0.00 S ATOM 140 CE MET A 9 -17.399 0.464 -7.151 1.00 0.00 C ATOM 0 H MET A 9 -19.023 2.854 -6.911 1.00 0.00 H new ATOM 0 HA MET A 9 -21.389 2.811 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.189 0.812 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.925 0.586 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.135 0.317 -7.166 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.003 1.603 -7.534 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.804 0.382 -8.061 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.661 1.508 -6.981 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.821 0.093 -6.305 1.00 0.00 H new ATOM 150 N THR A 10 -20.093 2.655 -2.876 1.00 0.00 N ATOM 151 CA THR A 10 -19.475 3.069 -1.631 1.00 0.00 C ATOM 152 C THR A 10 -19.244 1.904 -0.672 1.00 0.00 C ATOM 153 O THR A 10 -18.278 1.914 0.091 1.00 0.00 O ATOM 154 CB THR A 10 -20.323 4.143 -0.927 1.00 0.00 C ATOM 155 OG1 THR A 10 -21.136 4.832 -1.892 1.00 0.00 O ATOM 156 CG2 THR A 10 -19.434 5.142 -0.203 1.00 0.00 C ATOM 0 H THR A 10 -20.891 2.027 -2.774 1.00 0.00 H new ATOM 0 HA THR A 10 -18.502 3.482 -1.899 1.00 0.00 H new ATOM 0 HB THR A 10 -20.963 3.651 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 10 -21.675 5.513 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 10 -20.054 5.892 0.288 1.00 0.00 H new ATOM 0 HG22 THR A 10 -18.835 4.621 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.775 5.630 -0.921 1.00 0.00 H new ATOM 164 N CYS A 11 -20.108 0.894 -0.715 1.00 0.00 N ATOM 165 CA CYS A 11 -20.064 -0.145 0.299 1.00 0.00 C ATOM 166 C CYS A 11 -20.644 -1.474 -0.182 1.00 0.00 C ATOM 167 O CYS A 11 -21.242 -1.538 -1.248 1.00 0.00 O ATOM 168 CB CYS A 11 -20.819 0.334 1.528 1.00 0.00 C ATOM 169 SG CYS A 11 -22.223 1.421 1.159 1.00 0.00 S ATOM 0 H CYS A 11 -20.830 0.776 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.016 -0.331 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -21.181 -0.534 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -20.127 0.863 2.183 1.00 0.00 H new ATOM 0 HG CYS A 11 -22.802 1.773 2.268 1.00 0.00 H new ATOM 175 N ASP A 12 -20.338 -2.517 0.606 1.00 0.00 N ATOM 176 CA ASP A 12 -20.959 -3.868 0.595 1.00 0.00 C ATOM 177 C ASP A 12 -21.640 -4.321 -0.697 1.00 0.00 C ATOM 178 O ASP A 12 -22.495 -3.637 -1.255 1.00 0.00 O ATOM 179 CB ASP A 12 -21.950 -3.986 1.745 1.00 0.00 C ATOM 180 CG ASP A 12 -21.833 -5.314 2.457 1.00 0.00 C ATOM 181 OD1 ASP A 12 -20.761 -5.946 2.371 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.815 -5.736 3.104 1.00 0.00 O ATOM 0 H ASP A 12 -19.607 -2.444 1.314 1.00 0.00 H new ATOM 0 HA ASP A 12 -20.107 -4.540 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.779 -3.177 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.964 -3.867 1.364 1.00 0.00 H new ATOM 187 N SER A 13 -21.300 -5.550 -1.102 1.00 0.00 N ATOM 188 CA SER A 13 -21.818 -6.179 -2.326 1.00 0.00 C ATOM 189 C SER A 13 -21.229 -5.513 -3.565 1.00 0.00 C ATOM 190 O SER A 13 -20.680 -6.181 -4.439 1.00 0.00 O ATOM 191 CB SER A 13 -23.350 -6.156 -2.364 1.00 0.00 C ATOM 192 OG SER A 13 -23.891 -6.431 -1.082 1.00 0.00 O ATOM 0 H SER A 13 -20.651 -6.143 -0.585 1.00 0.00 H new ATOM 0 HA SER A 13 -21.508 -7.224 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.695 -5.181 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.711 -6.893 -3.082 1.00 0.00 H new ATOM 0 HG SER A 13 -24.870 -6.410 -1.128 1.00 0.00 H new ATOM 198 N CYS A 14 -21.325 -4.195 -3.624 1.00 0.00 N ATOM 199 CA CYS A 14 -20.651 -3.431 -4.651 1.00 0.00 C ATOM 200 C CYS A 14 -19.145 -3.629 -4.524 1.00 0.00 C ATOM 201 O CYS A 14 -18.436 -3.776 -5.518 1.00 0.00 O ATOM 202 CB CYS A 14 -21.006 -1.956 -4.510 1.00 0.00 C ATOM 203 SG CYS A 14 -22.783 -1.623 -4.538 1.00 0.00 S ATOM 0 H CYS A 14 -21.867 -3.633 -2.967 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.972 -3.775 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -20.591 -1.580 -3.575 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.529 -1.399 -5.317 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.987 -0.346 -4.410 1.00 0.00 H new ATOM 209 N ALA A 15 -18.675 -3.673 -3.281 1.00 0.00 N ATOM 210 CA ALA A 15 -17.266 -3.917 -3.007 1.00 0.00 C ATOM 211 C ALA A 15 -16.909 -5.369 -3.296 1.00 0.00 C ATOM 212 O ALA A 15 -15.767 -5.683 -3.622 1.00 0.00 O ATOM 213 CB ALA A 15 -16.939 -3.564 -1.564 1.00 0.00 C ATOM 0 H ALA A 15 -19.250 -3.543 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.671 -3.281 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.882 -3.752 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.158 -2.511 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.542 -4.176 -0.894 1.00 0.00 H new ATOM 219 N ALA A 16 -17.901 -6.248 -3.195 1.00 0.00 N ATOM 220 CA ALA A 16 -17.687 -7.673 -3.426 1.00 0.00 C ATOM 221 C ALA A 16 -17.518 -7.947 -4.914 1.00 0.00 C ATOM 222 O ALA A 16 -16.678 -8.752 -5.317 1.00 0.00 O ATOM 223 CB ALA A 16 -18.841 -8.485 -2.858 1.00 0.00 C ATOM 0 H ALA A 16 -18.861 -5.999 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.774 -7.975 -2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.664 -9.545 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.917 -8.308 -1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.770 -8.184 -3.342 1.00 0.00 H new ATOM 229 N HIS A 17 -18.313 -7.255 -5.724 1.00 0.00 N ATOM 230 CA HIS A 17 -18.213 -7.344 -7.172 1.00 0.00 C ATOM 231 C HIS A 17 -16.809 -6.954 -7.623 1.00 0.00 C ATOM 232 O HIS A 17 -16.160 -7.676 -8.388 1.00 0.00 O ATOM 233 CB HIS A 17 -19.241 -6.415 -7.820 1.00 0.00 C ATOM 234 CG HIS A 17 -20.480 -7.102 -8.309 1.00 0.00 C ATOM 235 ND1 HIS A 17 -20.530 -7.847 -9.467 1.00 0.00 N ATOM 236 CD2 HIS A 17 -21.731 -7.133 -7.793 1.00 0.00 C ATOM 237 CE1 HIS A 17 -21.754 -8.307 -9.641 1.00 0.00 C ATOM 238 NE2 HIS A 17 -22.501 -7.887 -8.642 1.00 0.00 N ATOM 0 H HIS A 17 -19.041 -6.620 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.413 -8.371 -7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.526 -5.650 -7.098 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.770 -5.902 -8.659 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -22.061 -6.654 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -22.087 -8.923 -10.463 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -23.493 -8.090 -8.519 1.00 0.00 H new ATOM 247 N VAL A 18 -16.345 -5.816 -7.119 1.00 0.00 N ATOM 248 CA VAL A 18 -15.018 -5.311 -7.440 1.00 0.00 C ATOM 249 C VAL A 18 -13.944 -6.257 -6.914 1.00 0.00 C ATOM 250 O VAL A 18 -12.976 -6.562 -7.609 1.00 0.00 O ATOM 251 CB VAL A 18 -14.801 -3.902 -6.846 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.395 -3.394 -7.136 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.845 -2.931 -7.381 1.00 0.00 C ATOM 0 H VAL A 18 -16.875 -5.222 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.942 -5.248 -8.526 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.915 -3.971 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.271 -2.400 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.665 -4.073 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.241 -3.345 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.677 -1.943 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.766 -2.873 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.841 -3.280 -7.108 1.00 0.00 H new ATOM 263 N LYS A 19 -14.137 -6.732 -5.688 1.00 0.00 N ATOM 264 CA LYS A 19 -13.197 -7.651 -5.062 1.00 0.00 C ATOM 265 C LYS A 19 -13.026 -8.907 -5.910 1.00 0.00 C ATOM 266 O LYS A 19 -11.906 -9.318 -6.207 1.00 0.00 O ATOM 267 CB LYS A 19 -13.675 -8.020 -3.653 1.00 0.00 C ATOM 268 CG LYS A 19 -12.840 -9.095 -2.982 1.00 0.00 C ATOM 269 CD LYS A 19 -13.681 -10.313 -2.644 1.00 0.00 C ATOM 270 CE LYS A 19 -13.111 -11.069 -1.457 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.909 -12.508 -1.759 1.00 0.00 N ATOM 0 H LYS A 19 -14.941 -6.493 -5.107 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.229 -7.155 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.665 -7.125 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.710 -8.359 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.021 -9.386 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.391 -8.696 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.702 -10.002 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.730 -10.974 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.160 -10.623 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.784 -10.968 -0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.242 -12.916 -1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.819 -13.007 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.524 -12.610 -2.720 1.00 0.00 H new ATOM 285 N GLU A 20 -14.144 -9.501 -6.310 1.00 0.00 N ATOM 286 CA GLU A 20 -14.112 -10.706 -7.127 1.00 0.00 C ATOM 287 C GLU A 20 -13.521 -10.419 -8.501 1.00 0.00 C ATOM 288 O GLU A 20 -12.784 -11.237 -9.053 1.00 0.00 O ATOM 289 CB GLU A 20 -15.512 -11.301 -7.269 1.00 0.00 C ATOM 290 CG GLU A 20 -15.599 -12.762 -6.865 1.00 0.00 C ATOM 291 CD GLU A 20 -16.837 -13.062 -6.050 1.00 0.00 C ATOM 292 OE1 GLU A 20 -17.958 -12.796 -6.541 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.700 -13.564 -4.913 1.00 0.00 O ATOM 0 H GLU A 20 -15.081 -9.168 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.474 -11.432 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.206 -10.723 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.837 -11.200 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.597 -13.384 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.714 -13.030 -6.288 1.00 0.00 H new ATOM 300 N ALA A 21 -13.833 -9.249 -9.047 1.00 0.00 N ATOM 301 CA ALA A 21 -13.299 -8.854 -10.342 1.00 0.00 C ATOM 302 C ALA A 21 -11.779 -8.771 -10.279 1.00 0.00 C ATOM 303 O ALA A 21 -11.080 -9.157 -11.217 1.00 0.00 O ATOM 304 CB ALA A 21 -13.892 -7.524 -10.779 1.00 0.00 C ATOM 0 H ALA A 21 -14.450 -8.562 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.575 -9.608 -11.080 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.482 -7.244 -11.749 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.975 -7.616 -10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.645 -6.757 -10.045 1.00 0.00 H new ATOM 310 N LEU A 22 -11.282 -8.264 -9.157 1.00 0.00 N ATOM 311 CA LEU A 22 -9.852 -8.180 -8.911 1.00 0.00 C ATOM 312 C LEU A 22 -9.254 -9.571 -8.747 1.00 0.00 C ATOM 313 O LEU A 22 -8.239 -9.899 -9.356 1.00 0.00 O ATOM 314 CB LEU A 22 -9.574 -7.341 -7.662 1.00 0.00 C ATOM 315 CG LEU A 22 -9.671 -5.829 -7.860 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.936 -5.133 -6.535 1.00 0.00 C ATOM 317 CD2 LEU A 22 -8.400 -5.296 -8.499 1.00 0.00 C ATOM 0 H LEU A 22 -11.858 -7.902 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.386 -7.698 -9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.277 -7.635 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.575 -7.580 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.506 -5.621 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.002 -4.057 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.874 -5.495 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.122 -5.347 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.485 -4.218 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.549 -5.515 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.253 -5.772 -9.469 1.00 0.00 H new ATOM 329 N GLU A 23 -9.908 -10.389 -7.931 1.00 0.00 N ATOM 330 CA GLU A 23 -9.429 -11.734 -7.631 1.00 0.00 C ATOM 331 C GLU A 23 -9.547 -12.652 -8.845 1.00 0.00 C ATOM 332 O GLU A 23 -8.985 -13.748 -8.868 1.00 0.00 O ATOM 333 CB GLU A 23 -10.207 -12.316 -6.455 1.00 0.00 C ATOM 334 CG GLU A 23 -9.735 -11.802 -5.106 1.00 0.00 C ATOM 335 CD GLU A 23 -10.416 -12.505 -3.954 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.645 -12.722 -4.027 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.731 -12.844 -2.969 1.00 0.00 O ATOM 0 H GLU A 23 -10.779 -10.142 -7.461 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.374 -11.664 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.264 -12.080 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.119 -13.402 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.657 -11.938 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.927 -10.731 -5.040 1.00 0.00 H new ATOM 344 N LYS A 24 -10.291 -12.206 -9.847 1.00 0.00 N ATOM 345 CA LYS A 24 -10.395 -12.938 -11.100 1.00 0.00 C ATOM 346 C LYS A 24 -9.106 -12.777 -11.901 1.00 0.00 C ATOM 347 O LYS A 24 -8.809 -13.571 -12.794 1.00 0.00 O ATOM 348 CB LYS A 24 -11.586 -12.432 -11.917 1.00 0.00 C ATOM 349 CG LYS A 24 -12.392 -13.537 -12.577 1.00 0.00 C ATOM 350 CD LYS A 24 -13.750 -13.033 -13.047 1.00 0.00 C ATOM 351 CE LYS A 24 -14.885 -13.876 -12.480 1.00 0.00 C ATOM 352 NZ LYS A 24 -14.874 -15.263 -13.017 1.00 0.00 N ATOM 0 H LYS A 24 -10.831 -11.341 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.550 -13.994 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.243 -11.856 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.223 -11.751 -12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.837 -13.936 -13.426 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.531 -14.358 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.879 -11.995 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.790 -13.053 -14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.805 -13.908 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.839 -13.404 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.663 -15.801 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.977 -15.236 -14.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.975 -15.724 -12.771 1.00 0.00 H new ATOM 366 N VAL A 25 -8.345 -11.747 -11.559 1.00 0.00 N ATOM 367 CA VAL A 25 -7.076 -11.468 -12.206 1.00 0.00 C ATOM 368 C VAL A 25 -5.961 -12.282 -11.545 1.00 0.00 C ATOM 369 O VAL A 25 -5.777 -12.222 -10.329 1.00 0.00 O ATOM 370 CB VAL A 25 -6.745 -9.960 -12.127 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.335 -9.674 -12.619 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.756 -9.152 -12.925 1.00 0.00 C ATOM 0 H VAL A 25 -8.592 -11.083 -10.825 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.153 -11.752 -13.255 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.801 -9.662 -11.080 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.135 -8.605 -12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.618 -10.218 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.240 -9.994 -13.656 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.509 -8.093 -12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.731 -9.466 -13.968 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.755 -9.317 -12.520 1.00 0.00 H new ATOM 382 N PRO A 26 -5.208 -13.059 -12.343 1.00 0.00 N ATOM 383 CA PRO A 26 -4.122 -13.914 -11.837 1.00 0.00 C ATOM 384 C PRO A 26 -2.934 -13.113 -11.295 1.00 0.00 C ATOM 385 O PRO A 26 -2.067 -13.658 -10.609 1.00 0.00 O ATOM 386 CB PRO A 26 -3.704 -14.723 -13.069 1.00 0.00 C ATOM 387 CG PRO A 26 -4.115 -13.888 -14.230 1.00 0.00 C ATOM 388 CD PRO A 26 -5.370 -13.183 -13.803 1.00 0.00 C ATOM 0 HA PRO A 26 -4.451 -14.524 -10.996 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.630 -14.908 -13.075 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.195 -15.696 -13.088 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.335 -13.173 -14.493 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.293 -14.504 -15.111 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.467 -12.208 -14.281 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.261 -13.755 -14.062 1.00 0.00 H new ATOM 396 N GLY A 27 -2.899 -11.823 -11.608 1.00 0.00 N ATOM 397 CA GLY A 27 -1.829 -10.969 -11.125 1.00 0.00 C ATOM 398 C GLY A 27 -2.081 -10.478 -9.714 1.00 0.00 C ATOM 399 O GLY A 27 -1.179 -9.959 -9.057 1.00 0.00 O ATOM 0 H GLY A 27 -3.593 -11.352 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.887 -11.517 -11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.720 -10.113 -11.792 1.00 0.00 H new ATOM 403 N VAL A 28 -3.307 -10.650 -9.246 1.00 0.00 N ATOM 404 CA VAL A 28 -3.676 -10.224 -7.907 1.00 0.00 C ATOM 405 C VAL A 28 -3.458 -11.363 -6.919 1.00 0.00 C ATOM 406 O VAL A 28 -3.990 -12.458 -7.096 1.00 0.00 O ATOM 407 CB VAL A 28 -5.149 -9.764 -7.850 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.572 -9.455 -6.419 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.362 -8.553 -8.743 1.00 0.00 C ATOM 0 H VAL A 28 -4.064 -11.083 -9.775 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.043 -9.379 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.772 -10.580 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.613 -9.134 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.462 -10.350 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.943 -8.661 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.405 -8.242 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.723 -7.736 -8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.111 -8.811 -9.772 1.00 0.00 H new ATOM 419 N GLN A 29 -2.661 -11.105 -5.892 1.00 0.00 N ATOM 420 CA GLN A 29 -2.364 -12.121 -4.895 1.00 0.00 C ATOM 421 C GLN A 29 -3.293 -11.988 -3.698 1.00 0.00 C ATOM 422 O GLN A 29 -3.662 -12.983 -3.075 1.00 0.00 O ATOM 423 CB GLN A 29 -0.903 -12.027 -4.455 1.00 0.00 C ATOM 424 CG GLN A 29 0.050 -12.793 -5.359 1.00 0.00 C ATOM 425 CD GLN A 29 -0.575 -14.050 -5.940 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.724 -15.058 -5.249 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.938 -14.000 -7.212 1.00 0.00 N ATOM 0 H GLN A 29 -2.211 -10.205 -5.728 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.527 -13.101 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.605 -10.979 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.812 -12.408 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.373 -12.144 -6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.942 -13.064 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.797 -13.145 -7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.359 -14.817 -7.655 1.00 0.00 H new ATOM 436 N SER A 30 -3.676 -10.762 -3.386 1.00 0.00 N ATOM 437 CA SER A 30 -4.636 -10.515 -2.323 1.00 0.00 C ATOM 438 C SER A 30 -5.367 -9.202 -2.566 1.00 0.00 C ATOM 439 O SER A 30 -4.745 -8.155 -2.752 1.00 0.00 O ATOM 440 CB SER A 30 -3.943 -10.489 -0.957 1.00 0.00 C ATOM 441 OG SER A 30 -2.580 -10.116 -1.075 1.00 0.00 O ATOM 0 H SER A 30 -3.337 -9.921 -3.854 1.00 0.00 H new ATOM 0 HA SER A 30 -5.361 -11.329 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.458 -9.788 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.014 -11.473 -0.493 1.00 0.00 H new ATOM 0 HG SER A 30 -2.165 -10.107 -0.187 1.00 0.00 H new ATOM 447 N ALA A 31 -6.687 -9.272 -2.593 1.00 0.00 N ATOM 448 CA ALA A 31 -7.515 -8.093 -2.776 1.00 0.00 C ATOM 449 C ALA A 31 -8.622 -8.069 -1.737 1.00 0.00 C ATOM 450 O ALA A 31 -9.654 -8.718 -1.896 1.00 0.00 O ATOM 451 CB ALA A 31 -8.096 -8.062 -4.182 1.00 0.00 C ATOM 0 H ALA A 31 -7.211 -10.141 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.896 -7.205 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.714 -7.172 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.285 -8.041 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.706 -8.951 -4.343 1.00 0.00 H new ATOM 457 N LEU A 32 -8.392 -7.348 -0.654 1.00 0.00 N ATOM 458 CA LEU A 32 -9.378 -7.246 0.409 1.00 0.00 C ATOM 459 C LEU A 32 -9.943 -5.833 0.461 1.00 0.00 C ATOM 460 O LEU A 32 -9.319 -4.917 0.992 1.00 0.00 O ATOM 461 CB LEU A 32 -8.775 -7.647 1.764 1.00 0.00 C ATOM 462 CG LEU A 32 -7.342 -7.173 2.028 1.00 0.00 C ATOM 463 CD1 LEU A 32 -7.159 -6.848 3.503 1.00 0.00 C ATOM 464 CD2 LEU A 32 -6.337 -8.228 1.588 1.00 0.00 C ATOM 0 H LEU A 32 -7.532 -6.825 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.191 -7.939 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.417 -7.258 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.797 -8.734 1.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.165 -6.269 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.137 -6.512 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.854 -6.059 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.355 -7.739 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.326 -7.871 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.511 -9.150 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.454 -8.419 0.521 1.00 0.00 H new ATOM 476 N VAL A 33 -11.114 -5.655 -0.126 1.00 0.00 N ATOM 477 CA VAL A 33 -11.758 -4.355 -0.153 1.00 0.00 C ATOM 478 C VAL A 33 -12.490 -4.101 1.159 1.00 0.00 C ATOM 479 O VAL A 33 -13.381 -4.857 1.546 1.00 0.00 O ATOM 480 CB VAL A 33 -12.755 -4.236 -1.322 1.00 0.00 C ATOM 481 CG1 VAL A 33 -13.207 -2.794 -1.497 1.00 0.00 C ATOM 482 CG2 VAL A 33 -12.144 -4.769 -2.611 1.00 0.00 C ATOM 0 H VAL A 33 -11.638 -6.396 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.976 -3.609 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.630 -4.842 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.910 -2.731 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.693 -2.452 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.342 -2.164 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.866 -4.675 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.249 -4.196 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.879 -5.818 -2.481 1.00 0.00 H new ATOM 492 N SER A 34 -12.111 -3.029 1.829 1.00 0.00 N ATOM 493 CA SER A 34 -12.700 -2.667 3.101 1.00 0.00 C ATOM 494 C SER A 34 -13.981 -1.870 2.870 1.00 0.00 C ATOM 495 O SER A 34 -13.939 -0.669 2.581 1.00 0.00 O ATOM 496 CB SER A 34 -11.692 -1.858 3.919 1.00 0.00 C ATOM 497 OG SER A 34 -10.364 -2.183 3.533 1.00 0.00 O ATOM 0 H SER A 34 -11.387 -2.387 1.506 1.00 0.00 H new ATOM 0 HA SER A 34 -12.955 -3.568 3.658 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.869 -0.792 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.829 -2.062 4.981 1.00 0.00 H new ATOM 0 HG SER A 34 -9.931 -2.694 4.249 1.00 0.00 H new ATOM 503 N TYR A 35 -15.112 -2.561 2.993 1.00 0.00 N ATOM 504 CA TYR A 35 -16.426 -1.983 2.730 1.00 0.00 C ATOM 505 C TYR A 35 -16.750 -0.783 3.645 1.00 0.00 C ATOM 506 O TYR A 35 -17.264 0.220 3.155 1.00 0.00 O ATOM 507 CB TYR A 35 -17.506 -3.091 2.785 1.00 0.00 C ATOM 508 CG TYR A 35 -18.577 -2.957 3.857 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.594 -2.015 3.753 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.585 -3.804 4.961 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.579 -1.915 4.717 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.565 -3.705 5.930 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.559 -2.763 5.801 1.00 0.00 C ATOM 514 OH TYR A 35 -21.542 -2.672 6.758 1.00 0.00 O ATOM 0 H TYR A 35 -15.142 -3.540 3.279 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.417 -1.567 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -18.001 -3.131 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -17.003 -4.048 2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.615 -1.349 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.812 -4.551 5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.360 -1.176 4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.551 -4.364 6.785 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.383 -3.342 7.455 1.00 0.00 H new ATOM 524 N PRO A 36 -16.470 -0.840 4.972 1.00 0.00 N ATOM 525 CA PRO A 36 -16.778 0.281 5.874 1.00 0.00 C ATOM 526 C PRO A 36 -15.962 1.535 5.565 1.00 0.00 C ATOM 527 O PRO A 36 -16.326 2.637 5.970 1.00 0.00 O ATOM 528 CB PRO A 36 -16.411 -0.250 7.267 1.00 0.00 C ATOM 529 CG PRO A 36 -16.334 -1.727 7.114 1.00 0.00 C ATOM 530 CD PRO A 36 -15.873 -1.969 5.708 1.00 0.00 C ATOM 0 HA PRO A 36 -17.820 0.585 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.460 0.161 7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.162 0.031 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.638 -2.159 7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.305 -2.190 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.786 -1.971 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.221 -2.929 5.328 1.00 0.00 H new ATOM 538 N LYS A 37 -14.858 1.365 4.851 1.00 0.00 N ATOM 539 CA LYS A 37 -13.980 2.482 4.537 1.00 0.00 C ATOM 540 C LYS A 37 -14.128 2.903 3.077 1.00 0.00 C ATOM 541 O LYS A 37 -13.902 4.062 2.727 1.00 0.00 O ATOM 542 CB LYS A 37 -12.526 2.114 4.840 1.00 0.00 C ATOM 543 CG LYS A 37 -12.003 2.716 6.135 1.00 0.00 C ATOM 544 CD LYS A 37 -11.792 1.652 7.206 1.00 0.00 C ATOM 545 CE LYS A 37 -12.878 1.705 8.271 1.00 0.00 C ATOM 546 NZ LYS A 37 -12.381 2.284 9.548 1.00 0.00 N ATOM 0 H LYS A 37 -14.550 0.466 4.479 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.268 3.327 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.438 1.029 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.896 2.446 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.062 3.231 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.707 3.464 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.784 0.665 6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.817 1.793 7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.715 2.300 7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.257 0.699 8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.153 2.301 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.599 1.703 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.043 3.253 9.381 1.00 0.00 H new ATOM 560 N GLY A 38 -14.507 1.956 2.229 1.00 0.00 N ATOM 561 CA GLY A 38 -14.637 2.233 0.811 1.00 0.00 C ATOM 562 C GLY A 38 -13.303 2.160 0.099 1.00 0.00 C ATOM 563 O GLY A 38 -13.151 2.648 -1.025 1.00 0.00 O ATOM 0 H GLY A 38 -14.728 0.997 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.328 1.519 0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.069 3.224 0.672 1.00 0.00 H new ATOM 567 N THR A 39 -12.333 1.540 0.752 1.00 0.00 N ATOM 568 CA THR A 39 -10.995 1.429 0.193 1.00 0.00 C ATOM 569 C THR A 39 -10.641 -0.026 -0.059 1.00 0.00 C ATOM 570 O THR A 39 -11.223 -0.924 0.534 1.00 0.00 O ATOM 571 CB THR A 39 -9.938 2.045 1.126 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.578 2.763 2.192 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.009 2.977 0.361 1.00 0.00 C ATOM 0 H THR A 39 -12.447 1.107 1.668 1.00 0.00 H new ATOM 0 HA THR A 39 -10.995 1.979 -0.748 1.00 0.00 H new ATOM 0 HB THR A 39 -9.342 1.233 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.897 3.150 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.272 3.398 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.498 2.418 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.590 3.783 -0.087 1.00 0.00 H new ATOM 581 N ALA A 40 -9.685 -0.253 -0.933 1.00 0.00 N ATOM 582 CA ALA A 40 -9.274 -1.603 -1.268 1.00 0.00 C ATOM 583 C ALA A 40 -7.822 -1.835 -0.886 1.00 0.00 C ATOM 584 O ALA A 40 -6.946 -1.041 -1.233 1.00 0.00 O ATOM 585 CB ALA A 40 -9.483 -1.867 -2.751 1.00 0.00 C ATOM 0 H ALA A 40 -9.176 0.480 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.891 -2.300 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.170 -2.884 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.538 -1.746 -2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.891 -1.161 -3.333 1.00 0.00 H new ATOM 591 N GLN A 41 -7.576 -2.906 -0.153 1.00 0.00 N ATOM 592 CA GLN A 41 -6.217 -3.293 0.194 1.00 0.00 C ATOM 593 C GLN A 41 -5.743 -4.358 -0.786 1.00 0.00 C ATOM 594 O GLN A 41 -6.092 -5.533 -0.664 1.00 0.00 O ATOM 595 CB GLN A 41 -6.144 -3.812 1.634 1.00 0.00 C ATOM 596 CG GLN A 41 -7.228 -3.258 2.551 1.00 0.00 C ATOM 597 CD GLN A 41 -6.738 -2.117 3.414 1.00 0.00 C ATOM 598 OE1 GLN A 41 -5.541 -1.985 3.669 1.00 0.00 O ATOM 599 NE2 GLN A 41 -7.658 -1.286 3.875 1.00 0.00 N ATOM 0 H GLN A 41 -8.299 -3.525 0.215 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.567 -2.420 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.215 -4.900 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.168 -3.561 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.069 -2.916 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.600 -4.058 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.640 -1.431 3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.386 -0.500 4.466 1.00 0.00 H new ATOM 608 N LEU A 42 -4.963 -3.935 -1.767 1.00 0.00 N ATOM 609 CA LEU A 42 -4.598 -4.799 -2.872 1.00 0.00 C ATOM 610 C LEU A 42 -3.100 -5.077 -2.895 1.00 0.00 C ATOM 611 O LEU A 42 -2.278 -4.180 -2.702 1.00 0.00 O ATOM 612 CB LEU A 42 -5.041 -4.153 -4.188 1.00 0.00 C ATOM 613 CG LEU A 42 -4.353 -4.684 -5.444 1.00 0.00 C ATOM 614 CD1 LEU A 42 -5.298 -5.573 -6.234 1.00 0.00 C ATOM 615 CD2 LEU A 42 -3.856 -3.530 -6.300 1.00 0.00 C ATOM 0 H LEU A 42 -4.570 -2.995 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.104 -5.756 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.117 -4.292 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.864 -3.079 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.494 -5.284 -5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.791 -5.942 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.606 -6.417 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.177 -4.999 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.368 -3.923 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.699 -2.905 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.144 -2.934 -5.729 1.00 0.00 H new ATOM 627 N ALA A 43 -2.760 -6.336 -3.109 1.00 0.00 N ATOM 628 CA ALA A 43 -1.383 -6.747 -3.299 1.00 0.00 C ATOM 629 C ALA A 43 -1.252 -7.485 -4.623 1.00 0.00 C ATOM 630 O ALA A 43 -1.762 -8.598 -4.782 1.00 0.00 O ATOM 631 CB ALA A 43 -0.913 -7.622 -2.147 1.00 0.00 C ATOM 0 H ALA A 43 -3.432 -7.101 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.750 -5.860 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.123 -7.917 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.986 -7.064 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.539 -8.512 -2.088 1.00 0.00 H new ATOM 637 N ILE A 44 -0.599 -6.845 -5.579 1.00 0.00 N ATOM 638 CA ILE A 44 -0.425 -7.419 -6.902 1.00 0.00 C ATOM 639 C ILE A 44 0.992 -7.938 -7.076 1.00 0.00 C ATOM 640 O ILE A 44 1.904 -7.535 -6.353 1.00 0.00 O ATOM 641 CB ILE A 44 -0.721 -6.397 -8.024 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.641 -4.961 -7.493 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.087 -6.663 -8.637 1.00 0.00 C ATOM 644 CD1 ILE A 44 0.537 -4.180 -8.033 1.00 0.00 C ATOM 0 H ILE A 44 -0.179 -5.923 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.138 -8.239 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 44 0.037 -6.514 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.562 -4.436 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.580 -4.988 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.280 -5.935 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.107 -7.668 -9.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.854 -6.577 -7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.529 -3.174 -7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.464 -4.681 -7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.468 -4.121 -9.119 1.00 0.00 H new ATOM 656 N VAL A 45 1.161 -8.843 -8.026 1.00 0.00 N ATOM 657 CA VAL A 45 2.474 -9.349 -8.378 1.00 0.00 C ATOM 658 C VAL A 45 3.261 -8.266 -9.106 1.00 0.00 C ATOM 659 O VAL A 45 2.774 -7.707 -10.095 1.00 0.00 O ATOM 660 CB VAL A 45 2.361 -10.604 -9.273 1.00 0.00 C ATOM 661 CG1 VAL A 45 3.720 -11.021 -9.816 1.00 0.00 C ATOM 662 CG2 VAL A 45 1.718 -11.747 -8.504 1.00 0.00 C ATOM 0 H VAL A 45 0.397 -9.244 -8.570 1.00 0.00 H new ATOM 0 HA VAL A 45 2.994 -9.628 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 45 1.727 -10.354 -10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.606 -11.906 -10.441 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.139 -10.209 -10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.390 -11.247 -8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.646 -12.623 -9.148 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.327 -11.987 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.720 -11.451 -8.180 1.00 0.00 H new ATOM 672 N PRO A 46 4.469 -7.942 -8.607 1.00 0.00 N ATOM 673 CA PRO A 46 5.339 -6.924 -9.207 1.00 0.00 C ATOM 674 C PRO A 46 5.463 -7.089 -10.719 1.00 0.00 C ATOM 675 O PRO A 46 6.043 -8.060 -11.212 1.00 0.00 O ATOM 676 CB PRO A 46 6.682 -7.167 -8.524 1.00 0.00 C ATOM 677 CG PRO A 46 6.327 -7.731 -7.193 1.00 0.00 C ATOM 678 CD PRO A 46 5.080 -8.545 -7.405 1.00 0.00 C ATOM 0 HA PRO A 46 4.952 -5.915 -9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.299 -7.859 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.250 -6.242 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.135 -8.350 -6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.155 -6.937 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.311 -9.599 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.413 -8.487 -6.545 1.00 0.00 H new ATOM 686 N GLY A 47 4.892 -6.144 -11.441 1.00 0.00 N ATOM 687 CA GLY A 47 4.856 -6.218 -12.883 1.00 0.00 C ATOM 688 C GLY A 47 3.480 -5.871 -13.403 1.00 0.00 C ATOM 689 O GLY A 47 3.337 -5.236 -14.447 1.00 0.00 O ATOM 0 H GLY A 47 4.446 -5.315 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.593 -5.534 -13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.130 -7.222 -13.207 1.00 0.00 H new ATOM 693 N THR A 48 2.463 -6.310 -12.677 1.00 0.00 N ATOM 694 CA THR A 48 1.094 -5.954 -12.992 1.00 0.00 C ATOM 695 C THR A 48 0.813 -4.531 -12.547 1.00 0.00 C ATOM 696 O THR A 48 0.854 -4.222 -11.355 1.00 0.00 O ATOM 697 CB THR A 48 0.096 -6.915 -12.319 1.00 0.00 C ATOM 698 OG1 THR A 48 0.774 -8.118 -11.916 1.00 0.00 O ATOM 699 CG2 THR A 48 -1.046 -7.259 -13.263 1.00 0.00 C ATOM 0 H THR A 48 2.564 -6.916 -11.863 1.00 0.00 H new ATOM 0 HA THR A 48 0.967 -6.032 -14.072 1.00 0.00 H new ATOM 0 HB THR A 48 -0.320 -6.420 -11.441 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.362 -7.923 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.737 -7.939 -12.765 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.573 -6.347 -13.544 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.647 -7.738 -14.157 1.00 0.00 H new ATOM 707 N SER A 49 0.556 -3.661 -13.508 1.00 0.00 N ATOM 708 CA SER A 49 0.294 -2.269 -13.218 1.00 0.00 C ATOM 709 C SER A 49 -1.109 -2.096 -12.637 1.00 0.00 C ATOM 710 O SER A 49 -2.099 -2.496 -13.252 1.00 0.00 O ATOM 711 CB SER A 49 0.459 -1.440 -14.490 1.00 0.00 C ATOM 712 OG SER A 49 0.848 -2.266 -15.579 1.00 0.00 O ATOM 0 H SER A 49 0.524 -3.899 -14.499 1.00 0.00 H new ATOM 0 HA SER A 49 1.010 -1.920 -12.474 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.478 -0.936 -14.726 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.207 -0.664 -14.330 1.00 0.00 H new ATOM 0 HG SER A 49 0.947 -1.718 -16.386 1.00 0.00 H new ATOM 718 N PRO A 50 -1.212 -1.503 -11.438 1.00 0.00 N ATOM 719 CA PRO A 50 -2.493 -1.330 -10.747 1.00 0.00 C ATOM 720 C PRO A 50 -3.445 -0.391 -11.475 1.00 0.00 C ATOM 721 O PRO A 50 -4.635 -0.352 -11.166 1.00 0.00 O ATOM 722 CB PRO A 50 -2.101 -0.750 -9.384 1.00 0.00 C ATOM 723 CG PRO A 50 -0.756 -0.142 -9.595 1.00 0.00 C ATOM 724 CD PRO A 50 -0.085 -0.971 -10.653 1.00 0.00 C ATOM 0 HA PRO A 50 -3.035 -2.273 -10.682 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.823 -0.005 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.068 -1.526 -8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.844 0.897 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.177 -0.146 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.585 -0.371 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.514 -1.771 -10.217 1.00 0.00 H new ATOM 732 N ASP A 51 -2.927 0.338 -12.457 1.00 0.00 N ATOM 733 CA ASP A 51 -3.739 1.253 -13.244 1.00 0.00 C ATOM 734 C ASP A 51 -4.655 0.457 -14.153 1.00 0.00 C ATOM 735 O ASP A 51 -5.711 0.931 -14.576 1.00 0.00 O ATOM 736 CB ASP A 51 -2.847 2.183 -14.071 1.00 0.00 C ATOM 737 CG ASP A 51 -3.608 3.359 -14.649 1.00 0.00 C ATOM 738 OD1 ASP A 51 -3.720 4.396 -13.967 1.00 0.00 O ATOM 739 OD2 ASP A 51 -4.096 3.252 -15.794 1.00 0.00 O ATOM 0 H ASP A 51 -1.944 0.311 -12.726 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.341 1.866 -12.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.035 2.553 -13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.391 1.616 -14.883 1.00 0.00 H new ATOM 744 N ALA A 52 -4.262 -0.781 -14.414 1.00 0.00 N ATOM 745 CA ALA A 52 -5.046 -1.646 -15.268 1.00 0.00 C ATOM 746 C ALA A 52 -6.256 -2.154 -14.509 1.00 0.00 C ATOM 747 O ALA A 52 -7.316 -2.391 -15.081 1.00 0.00 O ATOM 748 CB ALA A 52 -4.205 -2.800 -15.792 1.00 0.00 C ATOM 0 H ALA A 52 -3.409 -1.203 -14.047 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.389 -1.074 -16.130 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.818 -3.436 -16.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.366 -2.407 -16.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.827 -3.385 -14.953 1.00 0.00 H new ATOM 754 N LEU A 53 -6.090 -2.285 -13.206 1.00 0.00 N ATOM 755 CA LEU A 53 -7.161 -2.722 -12.333 1.00 0.00 C ATOM 756 C LEU A 53 -8.155 -1.589 -12.141 1.00 0.00 C ATOM 757 O LEU A 53 -9.366 -1.804 -12.110 1.00 0.00 O ATOM 758 CB LEU A 53 -6.593 -3.171 -10.989 1.00 0.00 C ATOM 759 CG LEU A 53 -5.473 -4.209 -11.083 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.669 -4.241 -9.797 1.00 0.00 C ATOM 761 CD2 LEU A 53 -6.041 -5.585 -11.395 1.00 0.00 C ATOM 0 H LEU A 53 -5.211 -2.092 -12.725 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.675 -3.569 -12.788 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.216 -2.296 -10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.403 -3.584 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.807 -3.923 -11.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.877 -4.985 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.228 -3.260 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.323 -4.501 -8.965 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.228 -6.309 -11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.731 -5.882 -10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.572 -5.552 -12.347 1.00 0.00 H new ATOM 773 N THR A 54 -7.628 -0.375 -12.043 1.00 0.00 N ATOM 774 CA THR A 54 -8.457 0.813 -11.952 1.00 0.00 C ATOM 775 C THR A 54 -9.331 0.939 -13.197 1.00 0.00 C ATOM 776 O THR A 54 -10.549 1.119 -13.105 1.00 0.00 O ATOM 777 CB THR A 54 -7.591 2.080 -11.798 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.223 1.717 -11.598 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.058 2.927 -10.630 1.00 0.00 C ATOM 0 H THR A 54 -6.625 -0.190 -12.025 1.00 0.00 H new ATOM 0 HA THR A 54 -9.091 0.716 -11.071 1.00 0.00 H new ATOM 0 HB THR A 54 -7.690 2.664 -12.713 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.741 2.468 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.428 3.813 -10.548 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.092 3.231 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.990 2.347 -9.710 1.00 0.00 H new ATOM 787 N ALA A 55 -8.698 0.817 -14.360 1.00 0.00 N ATOM 788 CA ALA A 55 -9.410 0.881 -15.629 1.00 0.00 C ATOM 789 C ALA A 55 -10.360 -0.302 -15.776 1.00 0.00 C ATOM 790 O ALA A 55 -11.424 -0.186 -16.385 1.00 0.00 O ATOM 791 CB ALA A 55 -8.428 0.923 -16.790 1.00 0.00 C ATOM 0 H ALA A 55 -7.692 0.673 -14.448 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.001 1.797 -15.642 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.978 0.971 -17.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.792 1.803 -16.697 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.810 0.025 -16.776 1.00 0.00 H new ATOM 797 N ALA A 56 -9.966 -1.444 -15.226 1.00 0.00 N ATOM 798 CA ALA A 56 -10.821 -2.624 -15.232 1.00 0.00 C ATOM 799 C ALA A 56 -12.112 -2.362 -14.465 1.00 0.00 C ATOM 800 O ALA A 56 -13.201 -2.635 -14.965 1.00 0.00 O ATOM 801 CB ALA A 56 -10.093 -3.830 -14.652 1.00 0.00 C ATOM 0 H ALA A 56 -9.063 -1.578 -14.772 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.075 -2.846 -16.269 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.754 -4.697 -14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.205 -4.040 -15.248 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.799 -3.618 -13.624 1.00 0.00 H new ATOM 807 N VAL A 57 -11.989 -1.817 -13.259 1.00 0.00 N ATOM 808 CA VAL A 57 -13.160 -1.515 -12.443 1.00 0.00 C ATOM 809 C VAL A 57 -13.996 -0.405 -13.079 1.00 0.00 C ATOM 810 O VAL A 57 -15.226 -0.486 -13.109 1.00 0.00 O ATOM 811 CB VAL A 57 -12.776 -1.116 -11.007 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.013 -0.798 -10.177 1.00 0.00 C ATOM 813 CG2 VAL A 57 -11.957 -2.216 -10.348 1.00 0.00 C ATOM 0 H VAL A 57 -11.097 -1.577 -12.827 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.753 -2.428 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.166 -0.214 -11.059 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.712 -0.519 -9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.556 0.029 -10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.658 -1.676 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.695 -1.916 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.542 -3.135 -10.315 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.047 -2.386 -10.923 1.00 0.00 H new ATOM 823 N ALA A 58 -13.329 0.622 -13.604 1.00 0.00 N ATOM 824 CA ALA A 58 -14.024 1.716 -14.276 1.00 0.00 C ATOM 825 C ALA A 58 -14.769 1.218 -15.513 1.00 0.00 C ATOM 826 O ALA A 58 -15.875 1.667 -15.812 1.00 0.00 O ATOM 827 CB ALA A 58 -13.046 2.817 -14.652 1.00 0.00 C ATOM 0 H ALA A 58 -12.314 0.718 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.759 2.124 -13.582 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.581 3.624 -15.152 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.568 3.202 -13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.286 2.415 -15.323 1.00 0.00 H new ATOM 833 N GLY A 59 -14.161 0.273 -16.214 1.00 0.00 N ATOM 834 CA GLY A 59 -14.775 -0.282 -17.406 1.00 0.00 C ATOM 835 C GLY A 59 -15.844 -1.308 -17.078 1.00 0.00 C ATOM 836 O GLY A 59 -16.611 -1.723 -17.949 1.00 0.00 O ATOM 0 H GLY A 59 -13.250 -0.122 -15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.215 0.523 -17.994 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.007 -0.746 -18.025 1.00 0.00 H new ATOM 840 N LEU A 60 -15.908 -1.706 -15.812 1.00 0.00 N ATOM 841 CA LEU A 60 -16.866 -2.710 -15.371 1.00 0.00 C ATOM 842 C LEU A 60 -18.202 -2.070 -15.025 1.00 0.00 C ATOM 843 O LEU A 60 -19.082 -2.709 -14.449 1.00 0.00 O ATOM 844 CB LEU A 60 -16.323 -3.472 -14.165 1.00 0.00 C ATOM 845 CG LEU A 60 -15.960 -4.931 -14.434 1.00 0.00 C ATOM 846 CD1 LEU A 60 -14.747 -5.335 -13.613 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.139 -5.842 -14.130 1.00 0.00 C ATOM 0 H LEU A 60 -15.305 -1.347 -15.072 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.021 -3.411 -16.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.437 -2.955 -13.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.066 -3.439 -13.368 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.713 -5.035 -15.490 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.501 -6.377 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.900 -4.704 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.969 -5.214 -12.553 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.860 -6.877 -14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.420 -5.736 -13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.984 -5.567 -14.762 1.00 0.00 H new ATOM 859 N GLY A 61 -18.343 -0.808 -15.388 1.00 0.00 N ATOM 860 CA GLY A 61 -19.571 -0.089 -15.120 1.00 0.00 C ATOM 861 C GLY A 61 -19.504 0.675 -13.820 1.00 0.00 C ATOM 862 O GLY A 61 -20.421 1.420 -13.476 1.00 0.00 O ATOM 0 H GLY A 61 -17.625 -0.264 -15.867 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.772 0.603 -15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.403 -0.792 -15.085 1.00 0.00 H new ATOM 866 N TYR A 62 -18.414 0.481 -13.095 1.00 0.00 N ATOM 867 CA TYR A 62 -18.190 1.175 -11.845 1.00 0.00 C ATOM 868 C TYR A 62 -17.133 2.250 -12.055 1.00 0.00 C ATOM 869 O TYR A 62 -16.827 2.604 -13.190 1.00 0.00 O ATOM 870 CB TYR A 62 -17.733 0.194 -10.762 1.00 0.00 C ATOM 871 CG TYR A 62 -18.487 -1.120 -10.746 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.869 -1.153 -10.607 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.810 -2.329 -10.852 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.556 -2.354 -10.582 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.490 -3.533 -10.824 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.861 -3.541 -10.687 1.00 0.00 C ATOM 877 OH TYR A 62 -20.541 -4.738 -10.651 1.00 0.00 O ATOM 0 H TYR A 62 -17.665 -0.160 -13.358 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.122 1.636 -11.518 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.672 -0.012 -10.901 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -17.840 0.672 -9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.416 -0.226 -10.517 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.735 -2.328 -10.958 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.631 -2.362 -10.481 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.948 -4.463 -10.909 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.905 -5.478 -10.738 1.00 0.00 H new ATOM 887 N LYS A 63 -16.579 2.770 -10.976 1.00 0.00 N ATOM 888 CA LYS A 63 -15.495 3.724 -11.076 1.00 0.00 C ATOM 889 C LYS A 63 -14.407 3.358 -10.084 1.00 0.00 C ATOM 890 O LYS A 63 -14.694 3.020 -8.936 1.00 0.00 O ATOM 891 CB LYS A 63 -15.999 5.146 -10.816 1.00 0.00 C ATOM 892 CG LYS A 63 -15.339 6.194 -11.698 1.00 0.00 C ATOM 893 CD LYS A 63 -14.697 7.298 -10.869 1.00 0.00 C ATOM 894 CE LYS A 63 -13.353 7.718 -11.445 1.00 0.00 C ATOM 895 NZ LYS A 63 -13.333 9.152 -11.821 1.00 0.00 N ATOM 0 H LYS A 63 -16.863 2.547 -10.022 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.087 3.692 -12.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.077 5.176 -10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.824 5.400 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.582 5.720 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.082 6.626 -12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.363 8.160 -10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.563 6.953 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.569 7.524 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.128 7.110 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.399 9.396 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.064 9.333 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.521 9.734 -10.980 1.00 0.00 H new ATOM 909 N ALA A 64 -13.166 3.387 -10.526 1.00 0.00 N ATOM 910 CA ALA A 64 -12.061 3.094 -9.639 1.00 0.00 C ATOM 911 C ALA A 64 -11.059 4.233 -9.613 1.00 0.00 C ATOM 912 O ALA A 64 -10.735 4.819 -10.647 1.00 0.00 O ATOM 913 CB ALA A 64 -11.381 1.800 -10.047 1.00 0.00 C ATOM 0 H ALA A 64 -12.900 3.608 -11.485 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.462 2.977 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.552 1.595 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.099 0.981 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.003 1.893 -11.065 1.00 0.00 H new ATOM 919 N THR A 65 -10.591 4.547 -8.422 1.00 0.00 N ATOM 920 CA THR A 65 -9.530 5.513 -8.237 1.00 0.00 C ATOM 921 C THR A 65 -8.471 4.890 -7.333 1.00 0.00 C ATOM 922 O THR A 65 -8.408 3.665 -7.208 1.00 0.00 O ATOM 923 CB THR A 65 -10.070 6.820 -7.618 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.272 6.556 -6.879 1.00 0.00 O ATOM 925 CG2 THR A 65 -10.359 7.854 -8.696 1.00 0.00 C ATOM 0 H THR A 65 -10.937 4.138 -7.554 1.00 0.00 H new ATOM 0 HA THR A 65 -9.096 5.769 -9.203 1.00 0.00 H new ATOM 0 HB THR A 65 -9.307 7.215 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.606 7.391 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.738 8.765 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.442 8.078 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.104 7.460 -9.387 1.00 0.00 H new ATOM 933 N LEU A 66 -7.664 5.700 -6.674 1.00 0.00 N ATOM 934 CA LEU A 66 -6.676 5.161 -5.759 1.00 0.00 C ATOM 935 C LEU A 66 -6.356 6.153 -4.652 1.00 0.00 C ATOM 936 O LEU A 66 -6.163 7.347 -4.892 1.00 0.00 O ATOM 937 CB LEU A 66 -5.399 4.744 -6.508 1.00 0.00 C ATOM 938 CG LEU A 66 -4.319 5.820 -6.647 1.00 0.00 C ATOM 939 CD1 LEU A 66 -3.004 5.340 -6.047 1.00 0.00 C ATOM 940 CD2 LEU A 66 -4.136 6.193 -8.109 1.00 0.00 C ATOM 0 H LEU A 66 -7.671 6.717 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.102 4.270 -5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.965 3.886 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.680 4.409 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.638 6.707 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.249 6.119 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.146 5.117 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.674 4.440 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.365 6.959 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.836 5.311 -8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.075 6.577 -8.507 1.00 0.00 H new ATOM 952 N ALA A 67 -6.347 5.642 -3.435 1.00 0.00 N ATOM 953 CA ALA A 67 -5.990 6.421 -2.267 1.00 0.00 C ATOM 954 C ALA A 67 -4.940 5.660 -1.483 1.00 0.00 C ATOM 955 O ALA A 67 -5.224 5.089 -0.430 1.00 0.00 O ATOM 956 CB ALA A 67 -7.218 6.699 -1.413 1.00 0.00 C ATOM 0 H ALA A 67 -6.588 4.672 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.584 7.385 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.929 7.285 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.950 7.256 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.656 5.755 -1.087 1.00 0.00 H new ATOM 962 N ASP A 68 -3.732 5.626 -2.030 1.00 0.00 N ATOM 963 CA ASP A 68 -2.645 4.845 -1.465 1.00 0.00 C ATOM 964 C ASP A 68 -2.073 5.512 -0.219 1.00 0.00 C ATOM 965 O ASP A 68 -0.912 5.927 -0.190 1.00 0.00 O ATOM 966 CB ASP A 68 -1.544 4.628 -2.504 1.00 0.00 C ATOM 967 CG ASP A 68 -0.657 3.449 -2.158 1.00 0.00 C ATOM 968 OD1 ASP A 68 -1.164 2.466 -1.576 1.00 0.00 O ATOM 969 OD2 ASP A 68 0.550 3.495 -2.474 1.00 0.00 O ATOM 0 H ASP A 68 -3.481 6.138 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.049 3.876 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.996 4.466 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.935 5.529 -2.580 1.00 0.00 H new ATOM 974 N ALA A 69 -2.902 5.613 0.801 1.00 0.00 N ATOM 975 CA ALA A 69 -2.512 6.194 2.067 1.00 0.00 C ATOM 976 C ALA A 69 -3.297 5.528 3.181 1.00 0.00 C ATOM 977 O ALA A 69 -4.274 4.813 2.862 1.00 0.00 O ATOM 978 CB ALA A 69 -2.758 7.694 2.061 1.00 0.00 C ATOM 979 OXT ALA A 69 -2.947 5.721 4.362 1.00 0.00 O ATOM 0 H ALA A 69 -3.870 5.292 0.773 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.447 6.030 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.459 8.116 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.174 8.155 1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.817 7.888 1.893 1.00 0.00 H new TER 985 ALA A 69