USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 591 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 Single : A 2 SER OG : rot -178:sc= 1.28 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0424 (180deg=-0.443) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.14) USER MOD Single : A 10 LYS NZ :NH3+ 135:sc= 1.29 (180deg=0.924) USER MOD Single : A 11 TYR OH : rot -29:sc= 0.718 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.22) USER MOD Single : A 17 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.091) USER MOD Single : A 21 SER OG : rot -79:sc= 1.15 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.2) USER MOD Single : A 34 HIS : no HE2:sc= 0.396 K(o=0.4,f=-3!) USER MOD Single : A 37 TYR OH : rot 179:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 163:sc= -0.25 (180deg=-0.669) USER MOD Single : A 46 MET CE :methyl -107:sc= -1.12 (180deg=-3.41!) USER MOD Single : A 48 MET CE :methyl 143:sc= -1.09 (180deg=-1.32) USER MOD Single : A 50 SER OG : rot -119:sc= 1.6 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.178 F(o=-0.98,f=-0.18) USER MOD Single : A 61 MET CE :methyl 175:sc= -0.566 (180deg=-0.661) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc=-0.00321 X(o=-0.0032,f=-0.026) USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.04) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0.492 (180deg=0.492) USER MOD Single : B 12 TYR OH : rot -122:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.577 3.318 -5.091 1.00 10.00 N ATOM 9 CA SER A 2 -16.948 3.991 -3.965 1.00 10.00 C ATOM 10 C SER A 2 -16.788 5.481 -4.257 1.00 10.00 C ATOM 11 O SER A 2 -16.541 5.883 -5.399 1.00 10.00 O ATOM 12 CB SER A 2 -15.583 3.360 -3.660 1.00 10.00 C ATOM 13 OG SER A 2 -14.985 3.940 -2.509 1.00 10.00 O ATOM 0 HA SER A 2 -17.589 3.875 -3.091 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.703 2.287 -3.507 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.922 3.488 -4.518 1.00 10.00 H new ATOM 0 HG SER A 2 -14.102 3.541 -2.363 1.00 10.00 H new ATOM 19 N HIS A 3 -16.946 6.294 -3.224 1.00 10.00 N ATOM 20 CA HIS A 3 -16.818 7.738 -3.346 1.00 10.00 C ATOM 21 C HIS A 3 -15.539 8.204 -2.669 1.00 10.00 C ATOM 22 O HIS A 3 -15.343 9.396 -2.428 1.00 10.00 O ATOM 23 CB HIS A 3 -18.025 8.437 -2.718 1.00 10.00 C ATOM 24 CG HIS A 3 -19.309 8.224 -3.462 1.00 10.00 C ATOM 25 ND1 HIS A 3 -19.644 8.999 -4.549 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.296 7.318 -3.243 1.00 10.00 C ATOM 27 CE1 HIS A 3 -20.821 8.552 -4.963 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.249 7.536 -4.204 1.00 10.00 N ATOM 0 H HIS A 3 -17.166 5.973 -2.281 1.00 10.00 H new ATOM 0 HA HIS A 3 -16.778 7.996 -4.404 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.146 8.081 -1.695 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -17.823 9.507 -2.661 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -20.325 6.571 -2.464 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -21.365 8.956 -5.804 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.121 7.020 -4.319 1.00 10.00 H new ATOM 36 N MET A 4 -14.674 7.253 -2.359 1.00 10.00 N ATOM 37 CA MET A 4 -13.414 7.556 -1.704 1.00 10.00 C ATOM 38 C MET A 4 -12.286 7.593 -2.727 1.00 10.00 C ATOM 39 O MET A 4 -12.495 7.304 -3.906 1.00 10.00 O ATOM 40 CB MET A 4 -13.108 6.514 -0.626 1.00 10.00 C ATOM 41 CG MET A 4 -14.232 6.314 0.380 1.00 10.00 C ATOM 42 SD MET A 4 -14.537 7.773 1.401 1.00 10.00 S ATOM 43 CE MET A 4 -13.038 7.831 2.375 1.00 10.00 C ATOM 0 H MET A 4 -14.822 6.262 -2.551 1.00 10.00 H new ATOM 0 HA MET A 4 -13.496 8.535 -1.231 1.00 10.00 H new ATOM 0 HB2 MET A 4 -12.892 5.561 -1.108 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.206 6.813 -0.092 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.146 6.053 -0.153 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.988 5.471 1.026 1.00 10.00 H new ATOM 0 HE1 MET A 4 -13.193 8.472 3.243 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.781 6.825 2.708 1.00 10.00 H new ATOM 0 HE3 MET A 4 -12.225 8.231 1.769 1.00 10.00 H new ATOM 53 N ALA A 5 -11.092 7.944 -2.276 1.00 10.00 N ATOM 54 CA ALA A 5 -9.938 8.017 -3.158 1.00 10.00 C ATOM 55 C ALA A 5 -9.168 6.702 -3.148 1.00 10.00 C ATOM 56 O ALA A 5 -8.934 6.113 -2.091 1.00 10.00 O ATOM 57 CB ALA A 5 -9.035 9.172 -2.752 1.00 10.00 C ATOM 0 H ALA A 5 -10.897 8.183 -1.304 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.291 8.195 -4.174 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.175 9.214 -3.421 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.590 10.108 -2.815 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.691 9.023 -1.728 1.00 10.00 H new ATOM 63 N THR A 6 -8.789 6.241 -4.325 1.00 10.00 N ATOM 64 CA THR A 6 -8.048 5.002 -4.460 1.00 10.00 C ATOM 65 C THR A 6 -6.551 5.269 -4.558 1.00 10.00 C ATOM 66 O THR A 6 -6.130 6.280 -5.124 1.00 10.00 O ATOM 67 CB THR A 6 -8.510 4.234 -5.707 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.178 5.129 -6.609 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.442 3.092 -5.327 1.00 10.00 C ATOM 0 H THR A 6 -8.985 6.711 -5.209 1.00 10.00 H new ATOM 0 HA THR A 6 -8.241 4.401 -3.571 1.00 10.00 H new ATOM 0 HB THR A 6 -7.632 3.812 -6.197 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.469 4.635 -7.404 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.755 2.563 -6.227 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.920 2.402 -4.664 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.319 3.492 -4.817 1.00 10.00 H new ATOM 77 N VAL A 7 -5.755 4.374 -3.995 1.00 10.00 N ATOM 78 CA VAL A 7 -4.306 4.509 -4.030 1.00 10.00 C ATOM 79 C VAL A 7 -3.695 3.362 -4.827 1.00 10.00 C ATOM 80 O VAL A 7 -3.993 2.191 -4.577 1.00 10.00 O ATOM 81 CB VAL A 7 -3.696 4.531 -2.612 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.232 4.932 -2.662 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.476 5.468 -1.704 1.00 10.00 C ATOM 0 H VAL A 7 -6.089 3.543 -3.506 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.078 5.460 -4.511 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.761 3.524 -2.200 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -1.822 4.941 -1.652 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.679 4.217 -3.271 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.142 5.927 -3.099 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.028 5.468 -0.710 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.449 6.478 -2.114 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.511 5.131 -1.636 1.00 10.00 H new ATOM 93 N LYS A 8 -2.861 3.704 -5.797 1.00 10.00 N ATOM 94 CA LYS A 8 -2.212 2.708 -6.637 1.00 10.00 C ATOM 95 C LYS A 8 -0.874 2.298 -6.043 1.00 10.00 C ATOM 96 O LYS A 8 -0.046 3.145 -5.702 1.00 10.00 O ATOM 97 CB LYS A 8 -2.027 3.242 -8.060 1.00 10.00 C ATOM 98 CG LYS A 8 -3.324 3.328 -8.845 1.00 10.00 C ATOM 99 CD LYS A 8 -3.068 3.601 -10.315 1.00 10.00 C ATOM 100 CE LYS A 8 -4.342 3.457 -11.129 1.00 10.00 C ATOM 101 NZ LYS A 8 -4.056 3.242 -12.571 1.00 10.00 N ATOM 0 H LYS A 8 -2.617 4.668 -6.023 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.853 1.827 -6.681 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.573 4.232 -8.013 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.330 2.597 -8.594 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.877 2.395 -8.738 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -3.949 4.119 -8.431 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.667 4.607 -10.437 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.313 2.910 -10.690 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.925 2.620 -10.746 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -4.953 4.352 -11.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.950 3.216 -13.102 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.464 4.019 -12.927 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.554 2.340 -12.695 1.00 10.00 H new ATOM 115 N PHE A 9 -0.673 0.996 -5.921 1.00 10.00 N ATOM 116 CA PHE A 9 0.552 0.459 -5.354 1.00 10.00 C ATOM 117 C PHE A 9 1.280 -0.439 -6.344 1.00 10.00 C ATOM 118 O PHE A 9 0.665 -1.266 -7.021 1.00 10.00 O ATOM 119 CB PHE A 9 0.240 -0.338 -4.088 1.00 10.00 C ATOM 120 CG PHE A 9 -0.374 0.480 -2.989 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.668 0.231 -2.564 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.348 1.488 -2.374 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.232 0.976 -1.547 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.209 2.236 -1.360 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.501 1.980 -0.943 1.00 10.00 C ATOM 0 H PHE A 9 -1.348 0.288 -6.209 1.00 10.00 H new ATOM 0 HA PHE A 9 1.199 1.302 -5.113 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.437 -1.154 -4.342 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.161 -0.791 -3.720 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.242 -0.554 -3.033 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.360 1.691 -2.693 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.243 0.774 -1.225 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.364 3.022 -0.891 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.938 2.564 -0.146 1.00 10.00 H new ATOM 135 N LYS A 10 2.590 -0.264 -6.426 1.00 10.00 N ATOM 136 CA LYS A 10 3.423 -1.066 -7.309 1.00 10.00 C ATOM 137 C LYS A 10 3.856 -2.339 -6.586 1.00 10.00 C ATOM 138 O LYS A 10 4.946 -2.408 -6.013 1.00 10.00 O ATOM 139 CB LYS A 10 4.641 -0.259 -7.758 1.00 10.00 C ATOM 140 CG LYS A 10 5.387 -0.859 -8.939 1.00 10.00 C ATOM 141 CD LYS A 10 6.384 0.134 -9.508 1.00 10.00 C ATOM 142 CE LYS A 10 7.311 -0.502 -10.529 1.00 10.00 C ATOM 143 NZ LYS A 10 8.342 0.460 -10.995 1.00 10.00 N ATOM 0 H LYS A 10 3.103 0.433 -5.886 1.00 10.00 H new ATOM 0 HA LYS A 10 2.851 -1.342 -8.195 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.318 0.748 -8.021 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.329 -0.164 -6.918 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.907 -1.764 -8.625 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.677 -1.152 -9.712 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.846 0.960 -9.974 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.976 0.557 -8.696 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.796 -1.374 -10.090 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.730 -0.856 -11.380 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 9.271 -0.007 -11.009 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 8.104 0.786 -11.953 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.373 1.275 -10.350 1.00 10.00 H new ATOM 157 N TYR A 11 2.986 -3.338 -6.612 1.00 10.00 N ATOM 158 CA TYR A 11 3.237 -4.615 -5.957 1.00 10.00 C ATOM 159 C TYR A 11 4.195 -5.472 -6.780 1.00 10.00 C ATOM 160 O TYR A 11 3.790 -6.109 -7.753 1.00 10.00 O ATOM 161 CB TYR A 11 1.913 -5.357 -5.740 1.00 10.00 C ATOM 162 CG TYR A 11 2.074 -6.761 -5.199 1.00 10.00 C ATOM 163 CD1 TYR A 11 2.452 -6.980 -3.882 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.852 -7.867 -6.012 1.00 10.00 C ATOM 165 CE1 TYR A 11 2.603 -8.260 -3.389 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.999 -9.149 -5.526 1.00 10.00 C ATOM 167 CZ TYR A 11 2.377 -9.339 -4.214 1.00 10.00 C ATOM 168 OH TYR A 11 2.528 -10.611 -3.723 1.00 10.00 O ATOM 0 H TYR A 11 2.085 -3.287 -7.088 1.00 10.00 H new ATOM 0 HA TYR A 11 3.703 -4.422 -4.990 1.00 10.00 H new ATOM 0 HB2 TYR A 11 1.295 -4.782 -5.050 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.375 -5.403 -6.687 1.00 10.00 H new ATOM 0 HD1 TYR A 11 2.631 -6.136 -3.233 1.00 10.00 H new ATOM 0 HD2 TYR A 11 1.560 -7.719 -7.041 1.00 10.00 H new ATOM 0 HE1 TYR A 11 2.897 -8.415 -2.361 1.00 10.00 H new ATOM 0 HE2 TYR A 11 1.819 -9.998 -6.169 1.00 10.00 H new ATOM 0 HH TYR A 11 3.200 -10.609 -3.010 1.00 10.00 H new ATOM 178 N LYS A 12 5.471 -5.455 -6.395 1.00 10.00 N ATOM 179 CA LYS A 12 6.522 -6.226 -7.070 1.00 10.00 C ATOM 180 C LYS A 12 6.596 -5.919 -8.568 1.00 10.00 C ATOM 181 O LYS A 12 7.147 -6.704 -9.343 1.00 10.00 O ATOM 182 CB LYS A 12 6.309 -7.732 -6.865 1.00 10.00 C ATOM 183 CG LYS A 12 6.848 -8.252 -5.546 1.00 10.00 C ATOM 184 CD LYS A 12 6.988 -9.766 -5.566 1.00 10.00 C ATOM 185 CE LYS A 12 7.422 -10.303 -4.216 1.00 10.00 C ATOM 186 NZ LYS A 12 7.581 -11.781 -4.235 1.00 10.00 N ATOM 0 H LYS A 12 5.809 -4.906 -5.605 1.00 10.00 H new ATOM 0 HA LYS A 12 7.468 -5.926 -6.618 1.00 10.00 H new ATOM 0 HB2 LYS A 12 5.243 -7.950 -6.922 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.789 -8.272 -7.681 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.818 -7.797 -5.342 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.181 -7.957 -4.736 1.00 10.00 H new ATOM 0 HD2 LYS A 12 6.037 -10.216 -5.849 1.00 10.00 H new ATOM 0 HD3 LYS A 12 7.716 -10.055 -6.324 1.00 10.00 H new ATOM 0 HE2 LYS A 12 8.365 -9.840 -3.927 1.00 10.00 H new ATOM 0 HE3 LYS A 12 6.686 -10.026 -3.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 7.878 -12.110 -3.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 6.675 -12.224 -4.486 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 8.302 -12.044 -4.937 1.00 10.00 H new ATOM 200 N GLY A 13 6.048 -4.782 -8.974 1.00 10.00 N ATOM 201 CA GLY A 13 6.059 -4.411 -10.376 1.00 10.00 C ATOM 202 C GLY A 13 4.659 -4.324 -10.952 1.00 10.00 C ATOM 203 O GLY A 13 4.435 -3.652 -11.961 1.00 10.00 O ATOM 0 H GLY A 13 5.595 -4.108 -8.357 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.559 -3.450 -10.493 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.638 -5.142 -10.940 1.00 10.00 H new ATOM 207 N GLU A 14 3.720 -5.005 -10.305 1.00 10.00 N ATOM 208 CA GLU A 14 2.326 -5.004 -10.734 1.00 10.00 C ATOM 209 C GLU A 14 1.634 -3.756 -10.196 1.00 10.00 C ATOM 210 O GLU A 14 1.987 -3.256 -9.130 1.00 10.00 O ATOM 211 CB GLU A 14 1.614 -6.266 -10.230 1.00 10.00 C ATOM 212 CG GLU A 14 0.238 -6.489 -10.837 1.00 10.00 C ATOM 213 CD GLU A 14 -0.471 -7.683 -10.232 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.436 -8.774 -10.837 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.073 -7.539 -9.147 1.00 10.00 O ATOM 0 H GLU A 14 3.901 -5.569 -9.475 1.00 10.00 H new ATOM 0 HA GLU A 14 2.284 -4.998 -11.823 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.239 -7.133 -10.446 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.515 -6.206 -9.146 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.370 -5.596 -10.691 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.337 -6.635 -11.913 1.00 10.00 H new ATOM 222 N GLU A 15 0.660 -3.246 -10.927 1.00 10.00 N ATOM 223 CA GLU A 15 -0.047 -2.052 -10.500 1.00 10.00 C ATOM 224 C GLU A 15 -1.371 -2.415 -9.832 1.00 10.00 C ATOM 225 O GLU A 15 -2.343 -2.764 -10.503 1.00 10.00 O ATOM 226 CB GLU A 15 -0.296 -1.125 -11.692 1.00 10.00 C ATOM 227 CG GLU A 15 -0.712 0.279 -11.292 1.00 10.00 C ATOM 228 CD GLU A 15 -1.337 1.046 -12.437 1.00 10.00 C ATOM 229 OE1 GLU A 15 -0.591 1.652 -13.232 1.00 10.00 O ATOM 230 OE2 GLU A 15 -2.582 1.045 -12.547 1.00 10.00 O ATOM 0 H GLU A 15 0.342 -3.637 -11.814 1.00 10.00 H new ATOM 0 HA GLU A 15 0.575 -1.531 -9.772 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.611 -1.069 -12.294 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.071 -1.559 -12.324 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -1.421 0.223 -10.466 1.00 10.00 H new ATOM 0 HG3 GLU A 15 0.159 0.823 -10.927 1.00 10.00 H new ATOM 237 N LYS A 16 -1.397 -2.352 -8.510 1.00 10.00 N ATOM 238 CA LYS A 16 -2.602 -2.654 -7.749 1.00 10.00 C ATOM 239 C LYS A 16 -3.277 -1.358 -7.323 1.00 10.00 C ATOM 240 O LYS A 16 -2.650 -0.297 -7.327 1.00 10.00 O ATOM 241 CB LYS A 16 -2.271 -3.504 -6.519 1.00 10.00 C ATOM 242 CG LYS A 16 -2.006 -4.964 -6.840 1.00 10.00 C ATOM 243 CD LYS A 16 -2.232 -5.851 -5.622 1.00 10.00 C ATOM 244 CE LYS A 16 -1.978 -7.318 -5.937 1.00 10.00 C ATOM 245 NZ LYS A 16 -2.787 -8.227 -5.080 1.00 10.00 N ATOM 0 H LYS A 16 -0.593 -2.093 -7.938 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.281 -3.224 -8.384 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -1.395 -3.085 -6.024 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -3.098 -3.441 -5.811 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.660 -5.284 -7.651 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.981 -5.081 -7.192 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -1.573 -5.533 -4.814 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -3.255 -5.727 -5.267 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.210 -7.508 -6.985 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.920 -7.539 -5.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.767 -9.188 -5.477 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -2.391 -8.242 -4.119 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.769 -7.887 -5.044 1.00 10.00 H new ATOM 259 N GLN A 17 -4.546 -1.434 -6.961 1.00 10.00 N ATOM 260 CA GLN A 17 -5.279 -0.252 -6.542 1.00 10.00 C ATOM 261 C GLN A 17 -6.197 -0.576 -5.370 1.00 10.00 C ATOM 262 O GLN A 17 -7.129 -1.373 -5.496 1.00 10.00 O ATOM 263 CB GLN A 17 -6.087 0.331 -7.705 1.00 10.00 C ATOM 264 CG GLN A 17 -6.640 1.717 -7.411 1.00 10.00 C ATOM 265 CD GLN A 17 -7.210 2.406 -8.635 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.121 3.626 -8.772 1.00 10.00 O ATOM 267 NE2 GLN A 17 -7.818 1.636 -9.519 1.00 10.00 N ATOM 0 H GLN A 17 -5.088 -2.298 -6.949 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.555 0.496 -6.219 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.454 0.379 -8.591 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -6.913 -0.341 -7.939 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.418 1.637 -6.652 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.847 2.335 -6.990 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -7.870 0.629 -9.368 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.236 2.049 -10.353 1.00 10.00 H new ATOM 276 N VAL A 18 -5.918 0.038 -4.232 1.00 10.00 N ATOM 277 CA VAL A 18 -6.707 -0.177 -3.031 1.00 10.00 C ATOM 278 C VAL A 18 -7.377 1.124 -2.602 1.00 10.00 C ATOM 279 O VAL A 18 -6.770 2.193 -2.670 1.00 10.00 O ATOM 280 CB VAL A 18 -5.833 -0.711 -1.875 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.678 -1.015 -0.647 1.00 10.00 C ATOM 282 CG2 VAL A 18 -5.061 -1.949 -2.306 1.00 10.00 C ATOM 0 H VAL A 18 -5.145 0.694 -4.115 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.468 -0.922 -3.262 1.00 10.00 H new ATOM 0 HB VAL A 18 -5.117 0.068 -1.613 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -6.038 -1.389 0.152 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -7.178 -0.105 -0.315 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.425 -1.769 -0.897 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.453 -2.306 -1.475 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.761 -2.729 -2.605 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.415 -1.700 -3.148 1.00 10.00 H new ATOM 292 N ASP A 19 -8.632 1.033 -2.188 1.00 10.00 N ATOM 293 CA ASP A 19 -9.373 2.207 -1.743 1.00 10.00 C ATOM 294 C ASP A 19 -8.860 2.653 -0.379 1.00 10.00 C ATOM 295 O ASP A 19 -8.481 1.822 0.447 1.00 10.00 O ATOM 296 CB ASP A 19 -10.871 1.898 -1.671 1.00 10.00 C ATOM 297 CG ASP A 19 -11.722 3.144 -1.503 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.750 3.696 -0.383 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.375 3.562 -2.486 1.00 10.00 O ATOM 0 H ASP A 19 -9.159 0.161 -2.150 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.223 3.013 -2.461 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -11.174 1.377 -2.579 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -11.058 1.221 -0.837 1.00 10.00 H new ATOM 304 N ILE A 20 -8.853 3.960 -0.147 1.00 10.00 N ATOM 305 CA ILE A 20 -8.373 4.521 1.111 1.00 10.00 C ATOM 306 C ILE A 20 -9.158 3.985 2.313 1.00 10.00 C ATOM 307 O ILE A 20 -8.617 3.877 3.416 1.00 10.00 O ATOM 308 CB ILE A 20 -8.433 6.068 1.092 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.772 6.651 2.346 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.870 6.555 0.973 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.778 8.164 2.386 1.00 10.00 C ATOM 0 H ILE A 20 -9.177 4.656 -0.819 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.334 4.208 1.218 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.882 6.415 0.218 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.287 6.270 3.228 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.742 6.298 2.401 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.885 7.645 0.962 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.307 6.177 0.049 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.448 6.193 1.823 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -7.294 8.506 3.301 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -7.238 8.553 1.523 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.806 8.525 2.363 1.00 10.00 H new ATOM 323 N SER A 21 -10.421 3.625 2.097 1.00 10.00 N ATOM 324 CA SER A 21 -11.255 3.104 3.175 1.00 10.00 C ATOM 325 C SER A 21 -10.894 1.652 3.488 1.00 10.00 C ATOM 326 O SER A 21 -11.258 1.122 4.538 1.00 10.00 O ATOM 327 CB SER A 21 -12.742 3.225 2.815 1.00 10.00 C ATOM 328 OG SER A 21 -13.015 2.636 1.556 1.00 10.00 O ATOM 0 H SER A 21 -10.886 3.684 1.191 1.00 10.00 H new ATOM 0 HA SER A 21 -11.068 3.701 4.068 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.345 2.742 3.584 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.030 4.276 2.798 1.00 10.00 H new ATOM 0 HG SER A 21 -12.740 3.248 0.842 1.00 10.00 H new ATOM 334 N LYS A 22 -10.163 1.016 2.580 1.00 10.00 N ATOM 335 CA LYS A 22 -9.753 -0.369 2.764 1.00 10.00 C ATOM 336 C LYS A 22 -8.392 -0.435 3.446 1.00 10.00 C ATOM 337 O LYS A 22 -8.038 -1.443 4.054 1.00 10.00 O ATOM 338 CB LYS A 22 -9.699 -1.096 1.419 1.00 10.00 C ATOM 339 CG LYS A 22 -11.064 -1.352 0.808 1.00 10.00 C ATOM 340 CD LYS A 22 -10.944 -1.846 -0.623 1.00 10.00 C ATOM 341 CE LYS A 22 -12.306 -2.113 -1.243 1.00 10.00 C ATOM 342 NZ LYS A 22 -12.803 -3.482 -0.936 1.00 10.00 N ATOM 0 H LYS A 22 -9.842 1.439 1.709 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.489 -0.861 3.399 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -9.103 -0.507 0.722 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.186 -2.048 1.551 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.600 -2.089 1.406 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.653 -0.435 0.830 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -10.412 -1.106 -1.220 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.350 -2.759 -0.644 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -13.021 -1.377 -0.876 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.243 -1.985 -2.324 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -13.734 -3.621 -1.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -12.134 -4.186 -1.309 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -12.888 -3.597 0.094 1.00 10.00 H new ATOM 356 N ILE A 23 -7.631 0.646 3.337 1.00 10.00 N ATOM 357 CA ILE A 23 -6.313 0.713 3.948 1.00 10.00 C ATOM 358 C ILE A 23 -6.438 0.723 5.466 1.00 10.00 C ATOM 359 O ILE A 23 -7.040 1.632 6.046 1.00 10.00 O ATOM 360 CB ILE A 23 -5.530 1.960 3.480 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.378 1.948 1.955 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.164 2.010 4.152 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.685 3.175 1.399 1.00 10.00 C ATOM 0 H ILE A 23 -7.905 1.488 2.831 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.758 -0.171 3.633 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.088 2.852 3.766 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.816 1.061 1.662 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.366 1.863 1.502 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.624 2.894 3.813 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.292 2.056 5.233 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.597 1.116 3.891 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.615 3.093 0.314 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.257 4.065 1.659 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.684 3.251 1.823 1.00 10.00 H new ATOM 375 N LEU A 24 -5.876 -0.293 6.100 1.00 10.00 N ATOM 376 CA LEU A 24 -5.932 -0.416 7.548 1.00 10.00 C ATOM 377 C LEU A 24 -4.830 0.399 8.208 1.00 10.00 C ATOM 378 O LEU A 24 -5.101 1.356 8.936 1.00 10.00 O ATOM 379 CB LEU A 24 -5.806 -1.884 7.961 1.00 10.00 C ATOM 380 CG LEU A 24 -6.933 -2.795 7.479 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.564 -4.252 7.696 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.231 -2.465 8.196 1.00 10.00 C ATOM 0 H LEU A 24 -5.374 -1.048 5.633 1.00 10.00 H new ATOM 0 HA LEU A 24 -6.895 -0.030 7.881 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.860 -2.271 7.582 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -5.759 -1.936 9.049 1.00 10.00 H new ATOM 0 HG LEU A 24 -7.078 -2.628 6.412 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.377 -4.889 7.348 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.657 -4.484 7.139 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.393 -4.430 8.758 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.022 -3.125 7.839 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.099 -2.604 9.269 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.504 -1.429 7.995 1.00 10.00 H new ATOM 394 N SER A 25 -3.589 0.027 7.938 1.00 10.00 N ATOM 395 CA SER A 25 -2.450 0.705 8.527 1.00 10.00 C ATOM 396 C SER A 25 -1.227 0.651 7.617 1.00 10.00 C ATOM 397 O SER A 25 -0.886 -0.401 7.069 1.00 10.00 O ATOM 398 CB SER A 25 -2.123 0.052 9.869 1.00 10.00 C ATOM 399 OG SER A 25 -2.447 -1.327 9.839 1.00 10.00 O ATOM 0 H SER A 25 -3.347 -0.742 7.313 1.00 10.00 H new ATOM 0 HA SER A 25 -2.710 1.754 8.667 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.064 0.178 10.094 1.00 10.00 H new ATOM 0 HB3 SER A 25 -2.679 0.546 10.666 1.00 10.00 H new ATOM 0 HG SER A 25 -2.231 -1.733 10.704 1.00 10.00 H new ATOM 405 N VAL A 26 -0.585 1.797 7.446 1.00 10.00 N ATOM 406 CA VAL A 26 0.617 1.892 6.635 1.00 10.00 C ATOM 407 C VAL A 26 1.825 2.073 7.548 1.00 10.00 C ATOM 408 O VAL A 26 1.764 2.824 8.524 1.00 10.00 O ATOM 409 CB VAL A 26 0.546 3.071 5.639 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.775 3.098 4.746 1.00 10.00 C ATOM 411 CG2 VAL A 26 -0.720 2.994 4.800 1.00 10.00 C ATOM 0 H VAL A 26 -0.880 2.680 7.862 1.00 10.00 H new ATOM 0 HA VAL A 26 0.708 0.972 6.058 1.00 10.00 H new ATOM 0 HB VAL A 26 0.520 3.996 6.214 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.703 3.936 4.053 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.669 3.211 5.360 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.836 2.166 4.183 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -0.748 3.834 4.106 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -0.728 2.060 4.239 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.592 3.033 5.453 1.00 10.00 H new ATOM 421 N GLY A 27 2.907 1.373 7.246 1.00 10.00 N ATOM 422 CA GLY A 27 4.103 1.468 8.050 1.00 10.00 C ATOM 423 C GLY A 27 5.347 1.633 7.206 1.00 10.00 C ATOM 424 O GLY A 27 5.785 0.697 6.531 1.00 10.00 O ATOM 0 H GLY A 27 2.976 0.737 6.452 1.00 10.00 H new ATOM 0 HA2 GLY A 27 4.014 2.314 8.732 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.198 0.572 8.664 1.00 10.00 H new ATOM 428 N ARG A 28 5.907 2.831 7.225 1.00 10.00 N ATOM 429 CA ARG A 28 7.116 3.122 6.469 1.00 10.00 C ATOM 430 C ARG A 28 8.337 2.587 7.210 1.00 10.00 C ATOM 431 O ARG A 28 8.644 3.025 8.318 1.00 10.00 O ATOM 432 CB ARG A 28 7.256 4.631 6.245 1.00 10.00 C ATOM 433 CG ARG A 28 8.512 5.024 5.487 1.00 10.00 C ATOM 434 CD ARG A 28 8.723 6.526 5.507 1.00 10.00 C ATOM 435 NE ARG A 28 9.973 6.909 4.858 1.00 10.00 N ATOM 436 CZ ARG A 28 11.067 7.310 5.508 1.00 10.00 C ATOM 437 NH1 ARG A 28 11.075 7.381 6.834 1.00 10.00 N ATOM 438 NH2 ARG A 28 12.152 7.628 4.822 1.00 10.00 N ATOM 0 H ARG A 28 5.543 3.621 7.757 1.00 10.00 H new ATOM 0 HA ARG A 28 7.047 2.631 5.498 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.385 4.990 5.697 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.254 5.134 7.212 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.376 4.528 5.929 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.439 4.679 4.456 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.889 7.016 5.006 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.727 6.878 6.538 1.00 10.00 H new ATOM 0 HE ARG A 28 10.013 6.867 3.840 1.00 10.00 H new ATOM 0 HH11 ARG A 28 10.241 7.128 7.363 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.916 7.689 7.323 1.00 10.00 H new ATOM 0 HH21 ARG A 28 12.148 7.566 3.804 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.993 7.936 5.311 1.00 10.00 H new ATOM 452 N TYR A 29 9.029 1.638 6.595 1.00 10.00 N ATOM 453 CA TYR A 29 10.215 1.041 7.201 1.00 10.00 C ATOM 454 C TYR A 29 11.476 1.754 6.729 1.00 10.00 C ATOM 455 O TYR A 29 12.591 1.384 7.101 1.00 10.00 O ATOM 456 CB TYR A 29 10.299 -0.451 6.851 1.00 10.00 C ATOM 457 CG TYR A 29 9.445 -1.338 7.731 1.00 10.00 C ATOM 458 CD1 TYR A 29 8.059 -1.331 7.627 1.00 10.00 C ATOM 459 CD2 TYR A 29 10.028 -2.181 8.668 1.00 10.00 C ATOM 460 CE1 TYR A 29 7.278 -2.137 8.436 1.00 10.00 C ATOM 461 CE2 TYR A 29 9.255 -2.989 9.479 1.00 10.00 C ATOM 462 CZ TYR A 29 7.881 -2.965 9.359 1.00 10.00 C ATOM 463 OH TYR A 29 7.108 -3.772 10.170 1.00 10.00 O ATOM 0 H TYR A 29 8.791 1.264 5.677 1.00 10.00 H new ATOM 0 HA TYR A 29 10.136 1.149 8.283 1.00 10.00 H new ATOM 0 HB2 TYR A 29 9.997 -0.588 5.813 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.337 -0.774 6.926 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.584 -0.686 6.903 1.00 10.00 H new ATOM 0 HD2 TYR A 29 11.103 -2.205 8.764 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.202 -2.118 8.345 1.00 10.00 H new ATOM 0 HE2 TYR A 29 9.725 -3.637 10.204 1.00 10.00 H new ATOM 0 HH TYR A 29 7.689 -4.293 10.762 1.00 10.00 H new ATOM 473 N GLY A 30 11.289 2.772 5.906 1.00 10.00 N ATOM 474 CA GLY A 30 12.405 3.527 5.375 1.00 10.00 C ATOM 475 C GLY A 30 12.295 3.674 3.876 1.00 10.00 C ATOM 476 O GLY A 30 11.549 4.519 3.388 1.00 10.00 O ATOM 0 H GLY A 30 10.373 3.093 5.592 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.436 4.513 5.839 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.340 3.027 5.627 1.00 10.00 H new ATOM 480 N LYS A 31 13.026 2.844 3.144 1.00 10.00 N ATOM 481 CA LYS A 31 12.981 2.870 1.689 1.00 10.00 C ATOM 482 C LYS A 31 11.780 2.071 1.208 1.00 10.00 C ATOM 483 O LYS A 31 11.217 2.335 0.143 1.00 10.00 O ATOM 484 CB LYS A 31 14.269 2.289 1.093 1.00 10.00 C ATOM 485 CG LYS A 31 15.519 3.105 1.398 1.00 10.00 C ATOM 486 CD LYS A 31 15.390 4.537 0.905 1.00 10.00 C ATOM 487 CE LYS A 31 15.367 5.523 2.062 1.00 10.00 C ATOM 488 NZ LYS A 31 15.191 6.922 1.597 1.00 10.00 N ATOM 0 H LYS A 31 13.657 2.144 3.534 1.00 10.00 H new ATOM 0 HA LYS A 31 12.890 3.905 1.359 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.408 1.277 1.472 1.00 10.00 H new ATOM 0 HB3 LYS A 31 14.154 2.211 0.012 1.00 10.00 H new ATOM 0 HG2 LYS A 31 15.700 3.105 2.473 1.00 10.00 H new ATOM 0 HG3 LYS A 31 16.384 2.635 0.929 1.00 10.00 H new ATOM 0 HD2 LYS A 31 16.223 4.771 0.242 1.00 10.00 H new ATOM 0 HD3 LYS A 31 14.477 4.641 0.319 1.00 10.00 H new ATOM 0 HE2 LYS A 31 14.557 5.263 2.744 1.00 10.00 H new ATOM 0 HE3 LYS A 31 16.297 5.442 2.626 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 15.266 7.569 2.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 15.929 7.152 0.901 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 14.255 7.026 1.156 1.00 10.00 H new ATOM 502 N LEU A 32 11.392 1.096 2.013 1.00 10.00 N ATOM 503 CA LEU A 32 10.258 0.250 1.699 1.00 10.00 C ATOM 504 C LEU A 32 9.078 0.593 2.599 1.00 10.00 C ATOM 505 O LEU A 32 9.212 0.695 3.822 1.00 10.00 O ATOM 506 CB LEU A 32 10.634 -1.226 1.847 1.00 10.00 C ATOM 507 CG LEU A 32 11.446 -1.819 0.691 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.801 -3.267 0.983 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.677 -1.697 -0.617 1.00 10.00 C ATOM 0 H LEU A 32 11.852 0.871 2.895 1.00 10.00 H new ATOM 0 HA LEU A 32 9.968 0.428 0.664 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.204 -1.347 2.768 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.718 -1.807 1.960 1.00 10.00 H new ATOM 0 HG LEU A 32 12.374 -1.256 0.590 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.378 -3.675 0.153 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.393 -3.319 1.897 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.887 -3.847 1.109 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.268 -2.123 -1.428 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.732 -2.235 -0.535 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.479 -0.646 -0.826 1.00 10.00 H new ATOM 521 N ILE A 33 7.929 0.793 1.983 1.00 10.00 N ATOM 522 CA ILE A 33 6.720 1.136 2.707 1.00 10.00 C ATOM 523 C ILE A 33 5.732 -0.024 2.677 1.00 10.00 C ATOM 524 O ILE A 33 5.179 -0.354 1.626 1.00 10.00 O ATOM 525 CB ILE A 33 6.052 2.391 2.108 1.00 10.00 C ATOM 526 CG1 ILE A 33 7.096 3.480 1.849 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.963 2.910 3.037 1.00 10.00 C ATOM 528 CD1 ILE A 33 6.766 4.360 0.664 1.00 10.00 C ATOM 0 H ILE A 33 7.807 0.723 0.973 1.00 10.00 H new ATOM 0 HA ILE A 33 7.002 1.345 3.739 1.00 10.00 H new ATOM 0 HB ILE A 33 5.594 2.117 1.158 1.00 10.00 H new ATOM 0 HG12 ILE A 33 7.189 4.102 2.739 1.00 10.00 H new ATOM 0 HG13 ILE A 33 8.066 3.011 1.685 1.00 10.00 H new ATOM 0 HG21 ILE A 33 4.502 3.795 2.599 1.00 10.00 H new ATOM 0 HG22 ILE A 33 4.206 2.139 3.177 1.00 10.00 H new ATOM 0 HG23 ILE A 33 5.400 3.168 4.002 1.00 10.00 H new ATOM 0 HD11 ILE A 33 7.548 5.109 0.538 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.701 3.749 -0.236 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.811 4.857 0.835 1.00 10.00 H new ATOM 540 N HIS A 34 5.532 -0.648 3.827 1.00 10.00 N ATOM 541 CA HIS A 34 4.609 -1.770 3.941 1.00 10.00 C ATOM 542 C HIS A 34 3.245 -1.271 4.405 1.00 10.00 C ATOM 543 O HIS A 34 3.154 -0.331 5.192 1.00 10.00 O ATOM 544 CB HIS A 34 5.174 -2.818 4.914 1.00 10.00 C ATOM 545 CG HIS A 34 4.187 -3.867 5.335 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.825 -4.949 4.562 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.487 -3.983 6.493 1.00 10.00 C ATOM 548 CE1 HIS A 34 2.931 -5.665 5.252 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.693 -5.122 6.434 1.00 10.00 N ATOM 0 H HIS A 34 5.998 -0.396 4.699 1.00 10.00 H new ATOM 0 HA HIS A 34 4.488 -2.242 2.966 1.00 10.00 H new ATOM 0 HB2 HIS A 34 6.029 -3.307 4.446 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.546 -2.308 5.803 1.00 10.00 H new ATOM 0 HD1 HIS A 34 4.177 -5.165 3.629 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.539 -3.299 7.327 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.464 -6.569 4.891 1.00 10.00 H new ATOM 557 N PHE A 35 2.187 -1.894 3.917 1.00 10.00 N ATOM 558 CA PHE A 35 0.838 -1.491 4.281 1.00 10.00 C ATOM 559 C PHE A 35 -0.104 -2.685 4.342 1.00 10.00 C ATOM 560 O PHE A 35 0.041 -3.649 3.587 1.00 10.00 O ATOM 561 CB PHE A 35 0.306 -0.457 3.281 1.00 10.00 C ATOM 562 CG PHE A 35 0.614 -0.795 1.847 1.00 10.00 C ATOM 563 CD1 PHE A 35 -0.234 -1.609 1.115 1.00 10.00 C ATOM 564 CD2 PHE A 35 1.760 -0.307 1.237 1.00 10.00 C ATOM 565 CE1 PHE A 35 0.055 -1.933 -0.195 1.00 10.00 C ATOM 566 CE2 PHE A 35 2.053 -0.626 -0.074 1.00 10.00 C ATOM 567 CZ PHE A 35 1.200 -1.442 -0.790 1.00 10.00 C ATOM 0 H PHE A 35 2.234 -2.680 3.269 1.00 10.00 H new ATOM 0 HA PHE A 35 0.882 -1.045 5.274 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.774 -0.369 3.401 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.734 0.518 3.516 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -1.132 -1.995 1.575 1.00 10.00 H new ATOM 0 HD2 PHE A 35 2.431 0.330 1.794 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -0.614 -2.570 -0.754 1.00 10.00 H new ATOM 0 HE2 PHE A 35 2.948 -0.238 -0.538 1.00 10.00 H new ATOM 0 HZ PHE A 35 1.428 -1.696 -1.815 1.00 10.00 H new ATOM 577 N LEU A 36 -1.055 -2.615 5.258 1.00 10.00 N ATOM 578 CA LEU A 36 -2.050 -3.660 5.423 1.00 10.00 C ATOM 579 C LEU A 36 -3.392 -3.139 4.932 1.00 10.00 C ATOM 580 O LEU A 36 -3.796 -2.034 5.298 1.00 10.00 O ATOM 581 CB LEU A 36 -2.157 -4.069 6.893 1.00 10.00 C ATOM 582 CG LEU A 36 -0.877 -4.633 7.511 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.975 -4.634 9.028 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.613 -6.040 6.997 1.00 10.00 C ATOM 0 H LEU A 36 -1.159 -1.834 5.906 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.756 -4.536 4.845 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.468 -3.200 7.473 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.946 -4.815 6.989 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.043 -3.995 7.218 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.056 -5.038 9.452 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.121 -3.614 9.384 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.819 -5.250 9.338 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.302 -6.426 7.447 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -1.449 -6.687 7.262 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.502 -6.016 5.913 1.00 10.00 H new ATOM 596 N TYR A 37 -4.083 -3.908 4.103 1.00 10.00 N ATOM 597 CA TYR A 37 -5.370 -3.465 3.588 1.00 10.00 C ATOM 598 C TYR A 37 -6.423 -4.556 3.717 1.00 10.00 C ATOM 599 O TYR A 37 -6.131 -5.742 3.552 1.00 10.00 O ATOM 600 CB TYR A 37 -5.249 -2.992 2.128 1.00 10.00 C ATOM 601 CG TYR A 37 -5.078 -4.099 1.103 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.183 -4.707 0.519 1.00 10.00 C ATOM 603 CD2 TYR A 37 -3.816 -4.522 0.707 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.037 -5.706 -0.422 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.662 -5.520 -0.237 1.00 10.00 C ATOM 606 CZ TYR A 37 -4.775 -6.109 -0.797 1.00 10.00 C ATOM 607 OH TYR A 37 -4.628 -7.103 -1.742 1.00 10.00 O ATOM 0 H TYR A 37 -3.781 -4.826 3.777 1.00 10.00 H new ATOM 0 HA TYR A 37 -5.692 -2.617 4.193 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.140 -2.417 1.874 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.399 -2.313 2.052 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.175 -4.392 0.807 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -2.941 -4.064 1.144 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -6.908 -6.169 -0.862 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.673 -5.837 -0.535 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.675 -7.259 -1.907 1.00 10.00 H new ATOM 617 N ASP A 38 -7.643 -4.140 4.022 1.00 10.00 N ATOM 618 CA ASP A 38 -8.764 -5.055 4.175 1.00 10.00 C ATOM 619 C ASP A 38 -9.406 -5.307 2.819 1.00 10.00 C ATOM 620 O ASP A 38 -9.780 -4.367 2.116 1.00 10.00 O ATOM 621 CB ASP A 38 -9.791 -4.475 5.151 1.00 10.00 C ATOM 622 CG ASP A 38 -10.963 -5.404 5.397 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.765 -6.636 5.414 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.090 -4.899 5.595 1.00 10.00 O ATOM 0 H ASP A 38 -7.884 -3.160 4.170 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.402 -6.001 4.578 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.301 -4.258 6.100 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.161 -3.527 4.760 1.00 10.00 H new ATOM 629 N LEU A 39 -9.514 -6.573 2.447 1.00 10.00 N ATOM 630 CA LEU A 39 -10.090 -6.940 1.165 1.00 10.00 C ATOM 631 C LEU A 39 -11.557 -7.328 1.315 1.00 10.00 C ATOM 632 O LEU A 39 -12.447 -6.602 0.870 1.00 10.00 O ATOM 633 CB LEU A 39 -9.290 -8.092 0.550 1.00 10.00 C ATOM 634 CG LEU A 39 -9.371 -8.210 -0.971 1.00 10.00 C ATOM 635 CD1 LEU A 39 -8.092 -8.813 -1.517 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.572 -9.044 -1.390 1.00 10.00 C ATOM 0 H LEU A 39 -9.210 -7.363 3.016 1.00 10.00 H new ATOM 0 HA LEU A 39 -10.041 -6.077 0.502 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -8.244 -7.976 0.833 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -9.637 -9.027 0.989 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.494 -7.209 -1.385 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -8.161 -8.892 -2.602 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -7.248 -8.176 -1.253 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.946 -9.805 -1.089 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.606 -9.112 -2.477 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -10.486 -10.045 -0.966 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -11.486 -8.574 -1.027 1.00 10.00 H new ATOM 648 N GLY A 40 -11.803 -8.467 1.948 1.00 10.00 N ATOM 649 CA GLY A 40 -13.159 -8.939 2.140 1.00 10.00 C ATOM 650 C GLY A 40 -13.203 -10.442 2.292 1.00 10.00 C ATOM 651 O GLY A 40 -12.248 -11.136 1.930 1.00 10.00 O ATOM 0 H GLY A 40 -11.082 -9.076 2.334 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.587 -8.469 3.026 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.774 -8.639 1.291 1.00 10.00 H new ATOM 655 N GLY A 41 -14.297 -10.951 2.836 1.00 10.00 N ATOM 656 CA GLY A 41 -14.429 -12.382 3.024 1.00 10.00 C ATOM 657 C GLY A 41 -13.753 -12.847 4.294 1.00 10.00 C ATOM 658 O GLY A 41 -13.436 -14.026 4.447 1.00 10.00 O ATOM 0 H GLY A 41 -15.096 -10.400 3.151 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.485 -12.648 3.056 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.995 -12.902 2.170 1.00 10.00 H new ATOM 662 N GLY A 42 -13.515 -11.909 5.200 1.00 10.00 N ATOM 663 CA GLY A 42 -12.877 -12.229 6.459 1.00 10.00 C ATOM 664 C GLY A 42 -11.366 -12.113 6.390 1.00 10.00 C ATOM 665 O GLY A 42 -10.703 -11.921 7.409 1.00 10.00 O ATOM 0 H GLY A 42 -13.755 -10.925 5.083 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -13.254 -11.562 7.234 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -13.147 -13.243 6.752 1.00 10.00 H new ATOM 669 N LYS A 43 -10.817 -12.221 5.191 1.00 10.00 N ATOM 670 CA LYS A 43 -9.377 -12.131 5.011 1.00 10.00 C ATOM 671 C LYS A 43 -8.988 -10.795 4.395 1.00 10.00 C ATOM 672 O LYS A 43 -9.820 -10.096 3.810 1.00 10.00 O ATOM 673 CB LYS A 43 -8.859 -13.289 4.154 1.00 10.00 C ATOM 674 CG LYS A 43 -9.430 -13.328 2.745 1.00 10.00 C ATOM 675 CD LYS A 43 -10.004 -14.697 2.407 1.00 10.00 C ATOM 676 CE LYS A 43 -8.930 -15.679 1.954 1.00 10.00 C ATOM 677 NZ LYS A 43 -7.985 -16.044 3.045 1.00 10.00 N ATOM 0 H LYS A 43 -11.344 -12.371 4.331 1.00 10.00 H new ATOM 0 HA LYS A 43 -8.913 -12.201 5.995 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -7.773 -13.222 4.092 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -9.092 -14.229 4.654 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -10.210 -12.572 2.647 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -8.649 -13.074 2.029 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -10.516 -15.100 3.281 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -10.751 -14.591 1.621 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -9.407 -16.583 1.575 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -8.371 -15.243 1.126 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -7.468 -16.907 2.782 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -7.310 -15.267 3.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -8.517 -16.213 3.923 1.00 10.00 H new ATOM 691 N ALA A 44 -7.721 -10.451 4.531 1.00 10.00 N ATOM 692 CA ALA A 44 -7.201 -9.204 4.011 1.00 10.00 C ATOM 693 C ALA A 44 -5.908 -9.445 3.240 1.00 10.00 C ATOM 694 O ALA A 44 -5.507 -10.593 3.030 1.00 10.00 O ATOM 695 CB ALA A 44 -6.973 -8.232 5.159 1.00 10.00 C ATOM 0 H ALA A 44 -7.026 -11.028 5.004 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.926 -8.772 3.321 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.581 -7.293 4.768 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.917 -8.046 5.671 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -6.257 -8.659 5.861 1.00 10.00 H new ATOM 701 N GLY A 45 -5.255 -8.368 2.833 1.00 10.00 N ATOM 702 CA GLY A 45 -4.018 -8.482 2.093 1.00 10.00 C ATOM 703 C GLY A 45 -2.988 -7.488 2.572 1.00 10.00 C ATOM 704 O GLY A 45 -3.266 -6.680 3.464 1.00 10.00 O ATOM 0 H GLY A 45 -5.563 -7.411 3.004 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.624 -9.493 2.196 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.212 -8.322 1.032 1.00 10.00 H new ATOM 708 N MET A 46 -1.808 -7.528 1.975 1.00 10.00 N ATOM 709 CA MET A 46 -0.734 -6.623 2.356 1.00 10.00 C ATOM 710 C MET A 46 0.206 -6.388 1.182 1.00 10.00 C ATOM 711 O MET A 46 0.239 -7.174 0.235 1.00 10.00 O ATOM 712 CB MET A 46 0.040 -7.180 3.556 1.00 10.00 C ATOM 713 CG MET A 46 0.841 -8.435 3.252 1.00 10.00 C ATOM 714 SD MET A 46 1.551 -9.168 4.736 1.00 10.00 S ATOM 715 CE MET A 46 2.608 -10.423 4.023 1.00 10.00 C ATOM 0 H MET A 46 -1.569 -8.177 1.225 1.00 10.00 H new ATOM 0 HA MET A 46 -1.176 -5.669 2.643 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.718 -6.411 3.926 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.664 -7.397 4.359 1.00 10.00 H new ATOM 0 HG2 MET A 46 0.197 -9.165 2.761 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.640 -8.193 2.551 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.168 -11.406 4.189 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.710 -10.247 2.952 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.591 -10.381 4.493 1.00 10.00 H new ATOM 725 N GLY A 47 0.952 -5.298 1.238 1.00 10.00 N ATOM 726 CA GLY A 47 1.879 -4.978 0.174 1.00 10.00 C ATOM 727 C GLY A 47 3.001 -4.083 0.650 1.00 10.00 C ATOM 728 O GLY A 47 2.964 -3.585 1.776 1.00 10.00 O ATOM 0 H GLY A 47 0.932 -4.626 2.005 1.00 10.00 H new ATOM 0 HA2 GLY A 47 2.297 -5.899 -0.232 1.00 10.00 H new ATOM 0 HA3 GLY A 47 1.343 -4.487 -0.638 1.00 10.00 H new ATOM 732 N MET A 48 3.991 -3.871 -0.204 1.00 10.00 N ATOM 733 CA MET A 48 5.130 -3.039 0.139 1.00 10.00 C ATOM 734 C MET A 48 5.706 -2.394 -1.120 1.00 10.00 C ATOM 735 O MET A 48 6.090 -3.089 -2.063 1.00 10.00 O ATOM 736 CB MET A 48 6.187 -3.886 0.853 1.00 10.00 C ATOM 737 CG MET A 48 7.395 -3.100 1.334 1.00 10.00 C ATOM 738 SD MET A 48 8.305 -3.949 2.642 1.00 10.00 S ATOM 739 CE MET A 48 8.504 -5.577 1.917 1.00 10.00 C ATOM 0 H MET A 48 4.027 -4.267 -1.143 1.00 10.00 H new ATOM 0 HA MET A 48 4.810 -2.243 0.811 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.724 -4.379 1.708 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.525 -4.671 0.177 1.00 10.00 H new ATOM 0 HG2 MET A 48 8.063 -2.918 0.492 1.00 10.00 H new ATOM 0 HG3 MET A 48 7.068 -2.126 1.698 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.482 -5.977 2.184 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.725 -6.240 2.293 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.426 -5.504 0.832 1.00 10.00 H new ATOM 749 N VAL A 49 5.743 -1.066 -1.131 1.00 10.00 N ATOM 750 CA VAL A 49 6.252 -0.306 -2.270 1.00 10.00 C ATOM 751 C VAL A 49 7.481 0.514 -1.849 1.00 10.00 C ATOM 752 O VAL A 49 7.778 0.610 -0.661 1.00 10.00 O ATOM 753 CB VAL A 49 5.143 0.620 -2.837 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.880 1.798 -1.908 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.487 1.100 -4.240 1.00 10.00 C ATOM 0 H VAL A 49 5.423 -0.487 -0.355 1.00 10.00 H new ATOM 0 HA VAL A 49 6.552 -1.001 -3.054 1.00 10.00 H new ATOM 0 HB VAL A 49 4.227 0.033 -2.901 1.00 10.00 H new ATOM 0 HG11 VAL A 49 4.098 2.428 -2.332 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.559 1.429 -0.934 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.794 2.381 -1.792 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.691 1.746 -4.609 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.424 1.657 -4.215 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.593 0.241 -4.903 1.00 10.00 H new ATOM 765 N SER A 50 8.198 1.086 -2.810 1.00 10.00 N ATOM 766 CA SER A 50 9.384 1.880 -2.506 1.00 10.00 C ATOM 767 C SER A 50 9.047 3.373 -2.498 1.00 10.00 C ATOM 768 O SER A 50 7.999 3.785 -3.007 1.00 10.00 O ATOM 769 CB SER A 50 10.487 1.596 -3.533 1.00 10.00 C ATOM 770 OG SER A 50 10.214 2.237 -4.769 1.00 10.00 O ATOM 0 H SER A 50 7.980 1.015 -3.804 1.00 10.00 H new ATOM 0 HA SER A 50 9.740 1.600 -1.515 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.446 1.940 -3.146 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.574 0.521 -3.689 1.00 10.00 H new ATOM 0 HG SER A 50 10.122 1.563 -5.474 1.00 10.00 H new ATOM 776 N GLU A 51 9.943 4.180 -1.933 1.00 10.00 N ATOM 777 CA GLU A 51 9.745 5.625 -1.866 1.00 10.00 C ATOM 778 C GLU A 51 9.816 6.249 -3.255 1.00 10.00 C ATOM 779 O GLU A 51 9.167 7.257 -3.531 1.00 10.00 O ATOM 780 CB GLU A 51 10.808 6.282 -0.983 1.00 10.00 C ATOM 781 CG GLU A 51 10.616 6.065 0.507 1.00 10.00 C ATOM 782 CD GLU A 51 11.469 7.011 1.328 1.00 10.00 C ATOM 783 OE1 GLU A 51 12.648 7.222 0.974 1.00 10.00 O ATOM 784 OE2 GLU A 51 10.966 7.564 2.325 1.00 10.00 O ATOM 0 H GLU A 51 10.815 3.856 -1.514 1.00 10.00 H new ATOM 0 HA GLU A 51 8.757 5.795 -1.438 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.787 5.898 -1.269 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.815 7.354 -1.183 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.566 6.208 0.763 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.869 5.035 0.760 1.00 10.00 H new ATOM 791 N LYS A 52 10.623 5.647 -4.122 1.00 10.00 N ATOM 792 CA LYS A 52 10.797 6.146 -5.480 1.00 10.00 C ATOM 793 C LYS A 52 9.601 5.800 -6.358 1.00 10.00 C ATOM 794 O LYS A 52 9.185 6.603 -7.194 1.00 10.00 O ATOM 795 CB LYS A 52 12.074 5.573 -6.103 1.00 10.00 C ATOM 796 CG LYS A 52 13.349 6.037 -5.418 1.00 10.00 C ATOM 797 CD LYS A 52 14.589 5.571 -6.168 1.00 10.00 C ATOM 798 CE LYS A 52 15.865 6.034 -5.486 1.00 10.00 C ATOM 799 NZ LYS A 52 17.069 5.747 -6.308 1.00 10.00 N ATOM 0 H LYS A 52 11.167 4.812 -3.907 1.00 10.00 H new ATOM 0 HA LYS A 52 10.879 7.231 -5.421 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.028 4.485 -6.067 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.113 5.856 -7.155 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.351 7.125 -5.350 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.375 5.654 -4.398 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.586 4.483 -6.235 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.562 5.953 -7.188 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.805 7.105 -5.292 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.960 5.540 -4.519 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.918 6.078 -5.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.141 4.723 -6.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 16.991 6.239 -7.221 1.00 10.00 H new ATOM 813 N ASP A 53 9.041 4.615 -6.154 1.00 10.00 N ATOM 814 CA ASP A 53 7.908 4.154 -6.953 1.00 10.00 C ATOM 815 C ASP A 53 6.605 4.832 -6.548 1.00 10.00 C ATOM 816 O ASP A 53 5.760 5.111 -7.399 1.00 10.00 O ATOM 817 CB ASP A 53 7.759 2.634 -6.851 1.00 10.00 C ATOM 818 CG ASP A 53 8.791 1.898 -7.677 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.824 2.092 -8.911 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.580 1.121 -7.099 1.00 10.00 O ATOM 0 H ASP A 53 9.351 3.954 -5.442 1.00 10.00 H new ATOM 0 HA ASP A 53 8.116 4.428 -7.987 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.849 2.332 -5.808 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.761 2.346 -7.181 1.00 10.00 H new ATOM 825 N ALA A 54 6.444 5.102 -5.260 1.00 10.00 N ATOM 826 CA ALA A 54 5.229 5.740 -4.766 1.00 10.00 C ATOM 827 C ALA A 54 5.227 7.245 -5.048 1.00 10.00 C ATOM 828 O ALA A 54 6.123 7.966 -4.605 1.00 10.00 O ATOM 829 CB ALA A 54 5.070 5.486 -3.274 1.00 10.00 C ATOM 0 H ALA A 54 7.135 4.891 -4.540 1.00 10.00 H new ATOM 0 HA ALA A 54 4.385 5.301 -5.297 1.00 10.00 H new ATOM 0 HB1 ALA A 54 4.159 5.968 -2.918 1.00 10.00 H new ATOM 0 HB2 ALA A 54 5.008 4.413 -3.092 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.929 5.895 -2.742 1.00 10.00 H new ATOM 835 N PRO A 55 4.235 7.737 -5.816 1.00 10.00 N ATOM 836 CA PRO A 55 4.112 9.163 -6.136 1.00 10.00 C ATOM 837 C PRO A 55 3.863 9.992 -4.880 1.00 10.00 C ATOM 838 O PRO A 55 3.120 9.568 -3.998 1.00 10.00 O ATOM 839 CB PRO A 55 2.897 9.229 -7.073 1.00 10.00 C ATOM 840 CG PRO A 55 2.684 7.836 -7.548 1.00 10.00 C ATOM 841 CD PRO A 55 3.166 6.943 -6.441 1.00 10.00 C ATOM 0 HA PRO A 55 5.020 9.565 -6.586 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.018 9.604 -6.549 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.082 9.904 -7.908 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.631 7.655 -7.765 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.236 7.649 -8.469 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.370 6.711 -5.734 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.540 5.993 -6.823 1.00 10.00 H new ATOM 849 N LYS A 56 4.476 11.171 -4.812 1.00 10.00 N ATOM 850 CA LYS A 56 4.344 12.062 -3.652 1.00 10.00 C ATOM 851 C LYS A 56 2.886 12.319 -3.266 1.00 10.00 C ATOM 852 O LYS A 56 2.542 12.305 -2.084 1.00 10.00 O ATOM 853 CB LYS A 56 5.035 13.397 -3.930 1.00 10.00 C ATOM 854 CG LYS A 56 6.541 13.352 -3.763 1.00 10.00 C ATOM 855 CD LYS A 56 7.163 14.697 -4.095 1.00 10.00 C ATOM 856 CE LYS A 56 8.659 14.699 -3.848 1.00 10.00 C ATOM 857 NZ LYS A 56 9.278 16.000 -4.215 1.00 10.00 N ATOM 0 H LYS A 56 5.075 11.538 -5.551 1.00 10.00 H new ATOM 0 HA LYS A 56 4.823 11.556 -2.814 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.801 13.712 -4.947 1.00 10.00 H new ATOM 0 HB3 LYS A 56 4.627 14.153 -3.260 1.00 10.00 H new ATOM 0 HG2 LYS A 56 6.789 13.075 -2.738 1.00 10.00 H new ATOM 0 HG3 LYS A 56 6.960 12.583 -4.412 1.00 10.00 H new ATOM 0 HD2 LYS A 56 6.966 14.941 -5.139 1.00 10.00 H new ATOM 0 HD3 LYS A 56 6.693 15.474 -3.492 1.00 10.00 H new ATOM 0 HE2 LYS A 56 8.854 14.488 -2.797 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.124 13.900 -4.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.301 15.962 -4.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.114 16.190 -5.224 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 8.853 16.760 -3.646 1.00 10.00 H new ATOM 871 N GLU A 57 2.039 12.542 -4.262 1.00 10.00 N ATOM 872 CA GLU A 57 0.623 12.815 -4.025 1.00 10.00 C ATOM 873 C GLU A 57 -0.040 11.670 -3.260 1.00 10.00 C ATOM 874 O GLU A 57 -0.879 11.899 -2.390 1.00 10.00 O ATOM 875 CB GLU A 57 -0.095 13.046 -5.353 1.00 10.00 C ATOM 876 CG GLU A 57 -1.393 13.827 -5.225 1.00 10.00 C ATOM 877 CD GLU A 57 -1.972 14.192 -6.575 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.858 13.377 -7.515 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.539 15.296 -6.707 1.00 10.00 O ATOM 0 H GLU A 57 2.307 12.540 -5.246 1.00 10.00 H new ATOM 0 HA GLU A 57 0.548 13.716 -3.415 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.574 13.580 -6.028 1.00 10.00 H new ATOM 0 HB3 GLU A 57 -0.307 12.081 -5.813 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -2.119 13.235 -4.668 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.214 14.735 -4.650 1.00 10.00 H new ATOM 886 N LEU A 58 0.340 10.442 -3.586 1.00 10.00 N ATOM 887 CA LEU A 58 -0.213 9.270 -2.917 1.00 10.00 C ATOM 888 C LEU A 58 0.571 8.977 -1.642 1.00 10.00 C ATOM 889 O LEU A 58 0.033 8.450 -0.669 1.00 10.00 O ATOM 890 CB LEU A 58 -0.177 8.056 -3.850 1.00 10.00 C ATOM 891 CG LEU A 58 -1.013 8.189 -5.126 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.843 6.959 -6.005 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.484 8.405 -4.785 1.00 10.00 C ATOM 0 H LEU A 58 1.028 10.231 -4.309 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.251 9.475 -2.654 1.00 10.00 H new ATOM 0 HB2 LEU A 58 0.859 7.865 -4.132 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.523 7.183 -3.297 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.659 9.059 -5.679 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.444 7.071 -6.907 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.206 6.850 -6.279 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -1.169 6.074 -5.459 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -3.061 8.497 -5.705 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.852 7.556 -4.209 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.591 9.316 -4.197 1.00 10.00 H new ATOM 905 N LEU A 59 1.850 9.334 -1.661 1.00 10.00 N ATOM 906 CA LEU A 59 2.736 9.132 -0.524 1.00 10.00 C ATOM 907 C LEU A 59 2.251 9.934 0.678 1.00 10.00 C ATOM 908 O LEU A 59 2.319 9.465 1.815 1.00 10.00 O ATOM 909 CB LEU A 59 4.163 9.544 -0.895 1.00 10.00 C ATOM 910 CG LEU A 59 5.254 9.085 0.073 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.273 7.569 0.181 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.609 9.601 -0.380 1.00 10.00 C ATOM 0 H LEU A 59 2.300 9.771 -2.465 1.00 10.00 H new ATOM 0 HA LEU A 59 2.730 8.075 -0.258 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.391 9.149 -1.885 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.201 10.631 -0.969 1.00 10.00 H new ATOM 0 HG LEU A 59 5.035 9.495 1.059 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.056 7.263 0.875 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.308 7.218 0.546 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.468 7.137 -0.800 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.377 9.267 0.318 1.00 10.00 H new ATOM 0 HD22 LEU A 59 6.831 9.216 -1.375 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.593 10.691 -0.408 1.00 10.00 H new ATOM 924 N GLN A 60 1.752 11.141 0.418 1.00 10.00 N ATOM 925 CA GLN A 60 1.236 11.999 1.479 1.00 10.00 C ATOM 926 C GLN A 60 -0.020 11.376 2.085 1.00 10.00 C ATOM 927 O GLN A 60 -0.297 11.534 3.273 1.00 10.00 O ATOM 928 CB GLN A 60 0.934 13.401 0.940 1.00 10.00 C ATOM 929 CG GLN A 60 0.650 14.429 2.029 1.00 10.00 C ATOM 930 CD GLN A 60 1.811 14.614 2.993 1.00 10.00 C ATOM 931 OE1 GLN A 60 3.032 14.486 2.495 1.00 10.00 O flip ATOM 932 NE2 GLN A 60 1.609 14.890 4.176 1.00 10.00 N flip ATOM 0 H GLN A 60 1.695 11.545 -0.517 1.00 10.00 H new ATOM 0 HA GLN A 60 1.994 12.091 2.256 1.00 10.00 H new ATOM 0 HB2 GLN A 60 1.781 13.741 0.344 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.075 13.346 0.272 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.416 15.387 1.564 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.234 14.122 2.589 1.00 10.00 H new ATOM 0 HE21 GLN A 60 0.654 14.980 4.523 1.00 10.00 H new ATOM 0 HE22 GLN A 60 2.397 15.028 4.809 1.00 10.00 H new ATOM 941 N MET A 61 -0.773 10.657 1.258 1.00 10.00 N ATOM 942 CA MET A 61 -1.981 9.983 1.718 1.00 10.00 C ATOM 943 C MET A 61 -1.590 8.825 2.624 1.00 10.00 C ATOM 944 O MET A 61 -2.291 8.497 3.583 1.00 10.00 O ATOM 945 CB MET A 61 -2.808 9.466 0.536 1.00 10.00 C ATOM 946 CG MET A 61 -3.571 10.555 -0.202 1.00 10.00 C ATOM 947 SD MET A 61 -4.492 9.922 -1.618 1.00 10.00 S ATOM 948 CE MET A 61 -5.746 8.941 -0.799 1.00 10.00 C ATOM 0 H MET A 61 -0.568 10.527 0.267 1.00 10.00 H new ATOM 0 HA MET A 61 -2.593 10.697 2.269 1.00 10.00 H new ATOM 0 HB2 MET A 61 -2.145 8.961 -0.166 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.516 8.721 0.898 1.00 10.00 H new ATOM 0 HG2 MET A 61 -4.261 11.040 0.488 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.870 11.318 -0.541 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.448 8.556 -1.539 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.274 8.108 -0.279 1.00 10.00 H new ATOM 0 HE3 MET A 61 -6.281 9.561 -0.080 1.00 10.00 H new ATOM 958 N LEU A 62 -0.450 8.222 2.315 1.00 10.00 N ATOM 959 CA LEU A 62 0.071 7.112 3.096 1.00 10.00 C ATOM 960 C LEU A 62 0.562 7.611 4.448 1.00 10.00 C ATOM 961 O LEU A 62 0.618 6.858 5.416 1.00 10.00 O ATOM 962 CB LEU A 62 1.203 6.411 2.342 1.00 10.00 C ATOM 963 CG LEU A 62 0.797 5.778 1.009 1.00 10.00 C ATOM 964 CD1 LEU A 62 1.999 5.126 0.344 1.00 10.00 C ATOM 965 CD2 LEU A 62 -0.313 4.758 1.216 1.00 10.00 C ATOM 0 H LEU A 62 0.135 8.487 1.522 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.730 6.391 3.258 1.00 10.00 H new ATOM 0 HB2 LEU A 62 1.998 7.133 2.157 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.621 5.635 2.983 1.00 10.00 H new ATOM 0 HG LEU A 62 0.422 6.565 0.355 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.694 4.680 -0.603 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.766 5.879 0.160 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.400 4.351 0.997 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.588 4.319 0.257 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.035 3.973 1.888 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -1.182 5.250 1.652 1.00 10.00 H new ATOM 977 N GLU A 63 0.913 8.891 4.505 1.00 10.00 N ATOM 978 CA GLU A 63 1.369 9.503 5.744 1.00 10.00 C ATOM 979 C GLU A 63 0.192 9.650 6.699 1.00 10.00 C ATOM 980 O GLU A 63 0.338 9.530 7.915 1.00 10.00 O ATOM 981 CB GLU A 63 1.994 10.874 5.474 1.00 10.00 C ATOM 982 CG GLU A 63 3.272 10.824 4.660 1.00 10.00 C ATOM 983 CD GLU A 63 4.414 10.167 5.405 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.387 10.146 6.649 1.00 10.00 O ATOM 985 OE2 GLU A 63 5.353 9.675 4.746 1.00 10.00 O ATOM 0 H GLU A 63 0.890 9.524 3.706 1.00 10.00 H new ATOM 0 HA GLU A 63 2.128 8.863 6.193 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.267 11.496 4.951 1.00 10.00 H new ATOM 0 HB3 GLU A 63 2.202 11.360 6.427 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.087 10.280 3.734 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.561 11.838 4.382 1.00 10.00 H new ATOM 992 N LYS A 64 -0.984 9.900 6.129 1.00 10.00 N ATOM 993 CA LYS A 64 -2.200 10.057 6.915 1.00 10.00 C ATOM 994 C LYS A 64 -2.661 8.707 7.457 1.00 10.00 C ATOM 995 O LYS A 64 -3.287 8.630 8.511 1.00 10.00 O ATOM 996 CB LYS A 64 -3.311 10.677 6.062 1.00 10.00 C ATOM 997 CG LYS A 64 -3.020 12.094 5.593 1.00 10.00 C ATOM 998 CD LYS A 64 -4.140 12.619 4.704 1.00 10.00 C ATOM 999 CE LYS A 64 -3.922 14.073 4.313 1.00 10.00 C ATOM 1000 NZ LYS A 64 -5.015 14.584 3.440 1.00 10.00 N ATOM 0 H LYS A 64 -1.118 9.998 5.123 1.00 10.00 H new ATOM 0 HA LYS A 64 -1.983 10.721 7.752 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.480 10.045 5.190 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.237 10.680 6.637 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.900 12.748 6.456 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -2.078 12.113 5.045 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -4.206 12.007 3.804 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -5.092 12.522 5.225 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -3.860 14.685 5.213 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.968 14.170 3.795 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -4.829 15.578 3.196 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -5.058 14.016 2.570 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.922 14.515 3.944 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.344 7.642 6.730 1.00 10.00 N ATOM 1015 CA GLN A 65 -2.735 6.297 7.139 1.00 10.00 C ATOM 1016 C GLN A 65 -1.586 5.588 7.856 1.00 10.00 C ATOM 1017 O GLN A 65 -1.644 4.382 8.109 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.173 5.476 5.924 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.245 6.142 5.073 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.528 6.410 5.836 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -5.724 7.494 6.389 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.413 5.426 5.872 1.00 10.00 N ATOM 0 H GLN A 65 -1.819 7.683 5.857 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.573 6.387 7.830 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.301 5.278 5.300 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.545 4.511 6.267 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -3.858 7.083 4.683 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.465 5.507 4.215 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.214 4.543 5.401 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.294 5.551 6.370 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.548 6.344 8.183 1.00 10.00 N ATOM 1032 CA LYS A 66 0.619 5.799 8.864 1.00 10.00 C ATOM 1033 C LYS A 66 0.295 5.496 10.323 1.00 10.00 C ATOM 1034 O LYS A 66 0.143 6.403 11.145 1.00 10.00 O ATOM 1035 CB LYS A 66 1.779 6.788 8.770 1.00 10.00 C ATOM 1036 CG LYS A 66 3.119 6.228 9.222 1.00 10.00 C ATOM 1037 CD LYS A 66 4.258 7.186 8.900 1.00 10.00 C ATOM 1038 CE LYS A 66 4.089 8.523 9.610 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.037 9.549 9.103 1.00 10.00 N ATOM 0 H LYS A 66 -0.490 7.343 7.986 1.00 10.00 H new ATOM 0 HA LYS A 66 0.907 4.866 8.379 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.870 7.126 7.738 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.543 7.665 9.373 1.00 10.00 H new ATOM 0 HG2 LYS A 66 3.093 6.039 10.295 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.298 5.270 8.734 1.00 10.00 H new ATOM 0 HD2 LYS A 66 5.206 6.736 9.194 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.303 7.349 7.823 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.067 8.877 9.477 1.00 10.00 H new ATOM 0 HE3 LYS A 66 4.242 8.386 10.681 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 5.213 10.256 9.845 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.934 9.093 8.840 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 4.629 10.017 8.269 1.00 10.00 H new ATOM 1053 N LYS A 67 0.194 4.217 10.642 1.00 10.00 N ATOM 1054 CA LYS A 67 -0.131 3.792 11.995 1.00 10.00 C ATOM 1055 C LYS A 67 0.993 2.947 12.578 1.00 10.00 C ATOM 1056 O LYS A 67 2.128 2.999 12.098 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.442 3.000 12.006 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.663 3.830 11.637 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.933 2.994 11.646 1.00 10.00 C ATOM 1060 CE LYS A 67 -5.142 3.823 11.249 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.361 2.989 11.092 1.00 10.00 N ATOM 0 H LYS A 67 0.333 3.452 9.981 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.252 4.683 12.611 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.357 2.165 11.310 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.590 2.574 12.998 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.767 4.657 12.339 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.521 4.267 10.648 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.823 2.155 10.959 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -4.088 2.574 12.640 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.321 4.588 12.004 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.934 4.342 10.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -7.163 3.593 10.821 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -6.200 2.275 10.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.575 2.514 11.992 1.00 10.00 H new ATOM 1105 N GLU B 6 -2.011 -11.930 -0.343 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.704 -12.040 -0.977 1.00 10.00 C ATOM 1107 C GLU B 6 0.434 -11.771 0.008 1.00 10.00 C ATOM 1108 O GLU B 6 0.208 -11.325 1.136 1.00 10.00 O ATOM 1109 CB GLU B 6 -0.610 -11.076 -2.164 1.00 10.00 C ATOM 1110 CG GLU B 6 -0.525 -9.609 -1.768 1.00 10.00 C ATOM 1111 CD GLU B 6 -1.879 -8.950 -1.602 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.242 -8.114 -2.457 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -2.580 -9.250 -0.614 1.00 10.00 O ATOM 0 HA GLU B 6 -0.597 -13.065 -1.332 1.00 10.00 H new ATOM 0 HB2 GLU B 6 0.267 -11.332 -2.758 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -1.481 -11.219 -2.804 1.00 10.00 H new ATOM 0 HG2 GLU B 6 0.029 -9.524 -0.833 1.00 10.00 H new ATOM 0 HG3 GLU B 6 0.043 -9.069 -2.525 1.00 10.00 H new ATOM 1120 N GLU B 7 1.655 -12.048 -0.441 1.00 10.00 N ATOM 1121 CA GLU B 7 2.852 -11.847 0.365 1.00 10.00 C ATOM 1122 C GLU B 7 3.969 -11.236 -0.476 1.00 10.00 C ATOM 1123 O GLU B 7 4.142 -11.590 -1.642 1.00 10.00 O ATOM 1124 CB GLU B 7 3.341 -13.179 0.940 1.00 10.00 C ATOM 1125 CG GLU B 7 2.516 -13.697 2.102 1.00 10.00 C ATOM 1126 CD GLU B 7 3.376 -14.116 3.275 1.00 10.00 C ATOM 1127 OE1 GLU B 7 2.828 -14.273 4.385 1.00 10.00 O ATOM 1128 OE2 GLU B 7 4.604 -14.282 3.094 1.00 10.00 O ATOM 0 H GLU B 7 1.841 -12.418 -1.373 1.00 10.00 H new ATOM 0 HA GLU B 7 2.595 -11.169 1.179 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.339 -13.926 0.147 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.374 -13.063 1.266 1.00 10.00 H new ATOM 0 HG2 GLU B 7 1.819 -12.923 2.423 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.919 -14.546 1.771 1.00 10.00 H new ATOM 1135 N GLU B 8 4.710 -10.307 0.108 1.00 10.00 N ATOM 1136 CA GLU B 8 5.826 -9.679 -0.583 1.00 10.00 C ATOM 1137 C GLU B 8 7.115 -10.397 -0.207 1.00 10.00 C ATOM 1138 O GLU B 8 7.081 -11.464 0.410 1.00 10.00 O ATOM 1139 CB GLU B 8 5.935 -8.186 -0.236 1.00 10.00 C ATOM 1140 CG GLU B 8 4.628 -7.546 0.203 1.00 10.00 C ATOM 1141 CD GLU B 8 4.455 -7.596 1.705 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.446 -8.713 2.261 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.364 -6.522 2.337 1.00 10.00 O ATOM 0 H GLU B 8 4.559 -9.971 1.059 1.00 10.00 H new ATOM 0 HA GLU B 8 5.655 -9.757 -1.657 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.671 -8.063 0.559 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.314 -7.650 -1.106 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.601 -6.509 -0.132 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.794 -8.058 -0.276 1.00 10.00 H new ATOM 1150 N GLY B 9 8.241 -9.819 -0.583 1.00 10.00 N ATOM 1151 CA GLY B 9 9.523 -10.413 -0.272 1.00 10.00 C ATOM 1152 C GLY B 9 10.653 -9.606 -0.859 1.00 10.00 C ATOM 1153 O GLY B 9 11.329 -10.047 -1.787 1.00 10.00 O ATOM 0 H GLY B 9 8.292 -8.942 -1.102 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.643 -10.480 0.809 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.559 -11.431 -0.660 1.00 10.00 H new ATOM 1157 N GLU B 10 10.846 -8.416 -0.324 1.00 10.00 N ATOM 1158 CA GLU B 10 11.882 -7.524 -0.807 1.00 10.00 C ATOM 1159 C GLU B 10 13.137 -7.645 0.037 1.00 10.00 C ATOM 1160 O GLU B 10 13.074 -7.631 1.265 1.00 10.00 O ATOM 1161 CB GLU B 10 11.393 -6.077 -0.781 1.00 10.00 C ATOM 1162 CG GLU B 10 10.102 -5.836 -1.551 1.00 10.00 C ATOM 1163 CD GLU B 10 10.001 -6.658 -2.818 1.00 10.00 C ATOM 1164 OE1 GLU B 10 10.909 -6.559 -3.674 1.00 10.00 O ATOM 1165 OE2 GLU B 10 9.016 -7.413 -2.955 1.00 10.00 O ATOM 0 H GLU B 10 10.296 -8.043 0.450 1.00 10.00 H new ATOM 0 HA GLU B 10 12.117 -7.809 -1.832 1.00 10.00 H new ATOM 0 HB2 GLU B 10 11.245 -5.775 0.256 1.00 10.00 H new ATOM 0 HB3 GLU B 10 12.172 -5.435 -1.192 1.00 10.00 H new ATOM 0 HG2 GLU B 10 9.254 -6.068 -0.907 1.00 10.00 H new ATOM 0 HG3 GLU B 10 10.030 -4.778 -1.805 1.00 10.00 H new ATOM 1172 N GLU B 11 14.275 -7.771 -0.623 1.00 10.00 N ATOM 1173 CA GLU B 11 15.541 -7.865 0.073 1.00 10.00 C ATOM 1174 C GLU B 11 15.971 -6.474 0.517 1.00 10.00 C ATOM 1175 O GLU B 11 16.391 -5.653 -0.304 1.00 10.00 O ATOM 1176 CB GLU B 11 16.610 -8.491 -0.825 1.00 10.00 C ATOM 1177 CG GLU B 11 17.652 -9.285 -0.055 1.00 10.00 C ATOM 1178 CD GLU B 11 17.080 -10.544 0.568 1.00 10.00 C ATOM 1179 OE1 GLU B 11 16.732 -10.518 1.769 1.00 10.00 O ATOM 1180 OE2 GLU B 11 16.966 -11.566 -0.140 1.00 10.00 O ATOM 0 H GLU B 11 14.346 -7.810 -1.640 1.00 10.00 H new ATOM 0 HA GLU B 11 15.421 -8.506 0.946 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.127 -9.146 -1.550 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.108 -7.702 -1.389 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.468 -9.554 -0.726 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.077 -8.657 0.728 1.00 10.00 H new ATOM 1187 N TYR B 12 15.832 -6.203 1.804 1.00 10.00 N ATOM 1188 CA TYR B 12 16.193 -4.904 2.351 1.00 10.00 C ATOM 1189 C TYR B 12 17.709 -4.759 2.445 1.00 10.00 C ATOM 1190 O TYR B 12 18.411 -5.717 2.777 1.00 10.00 O ATOM 1191 CB TYR B 12 15.558 -4.716 3.731 1.00 10.00 C ATOM 1192 CG TYR B 12 14.973 -3.335 3.950 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.583 -2.204 3.419 1.00 10.00 C ATOM 1194 CD2 TYR B 12 13.808 -3.164 4.686 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.054 -0.945 3.621 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.273 -1.906 4.893 1.00 10.00 C ATOM 1197 CZ TYR B 12 13.898 -0.801 4.355 1.00 10.00 C ATOM 1198 OH TYR B 12 13.370 0.455 4.560 1.00 10.00 O ATOM 0 H TYR B 12 15.471 -6.865 2.491 1.00 10.00 H new ATOM 0 HA TYR B 12 15.815 -4.133 1.680 1.00 10.00 H new ATOM 0 HB2 TYR B 12 14.772 -5.459 3.864 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.310 -4.908 4.496 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.487 -2.312 2.838 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.312 -4.028 5.104 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.544 -0.077 3.205 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.370 -1.789 5.473 1.00 10.00 H new ATOM 0 HH TYR B 12 13.302 0.628 5.522 1.00 10.00 H new