USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 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 46 THR OG1 : rot -37:sc= 1.57 USER MOD Set 1.2: A 49 GLN :FLIP amide:sc= -1.27 F(o=-0.73!,f=0.3) USER MOD Set 2.1: A 21 THR OG1 : rot 106:sc= 0.136 USER MOD Set 2.2: A 50 TYR OH : rot 151:sc= -0.556 USER MOD Single : A 9 MET CE :methyl -158:sc= 0 (180deg=-0.652) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -141:sc= 0.186 USER MOD Single : A 25 GLN : amide:sc=-0.00364 K(o=-0.0036,f=-0.81) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -133:sc= -0.0418 USER MOD Single : A 33 ASN : amide:sc=-0.00934 K(o=-0.0093,f=-0.77) USER MOD Single : A 38 TYR OH : rot -137:sc= 0.921 USER MOD Single : A 41 THR OG1 : rot -49:sc= 1.21 USER MOD Single : A 45 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.75) USER MOD Single : A 47 SER OG : rot 71:sc= 1.08 USER MOD Single : A 57 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.013) USER MOD Single : A 58 SER OG : rot 113:sc= 1.28 USER MOD Single : A 60 GLN : amide:sc= 0.0677 X(o=0.068,f=-0.31) USER MOD Single : A 62 CYS SG : rot 57:sc= -0.22 USER MOD Single : A 66 LYS NZ :NH3+ -149:sc= 2.18 (180deg=1.8) USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -0.132 (180deg=-0.642) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 4.115 15.588 -5.761 1.00 0.00 N ATOM 2 CA GLY A 7 4.552 14.250 -6.128 1.00 0.00 C ATOM 3 C GLY A 7 5.976 14.016 -5.715 1.00 0.00 C ATOM 4 O GLY A 7 6.738 14.985 -5.562 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.906 13.510 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.455 14.115 -7.205 1.00 0.00 H new ATOM 10 N ALA A 8 6.335 12.737 -5.530 1.00 0.00 N ATOM 11 CA ALA A 8 7.669 12.283 -5.088 1.00 0.00 C ATOM 12 C ALA A 8 7.993 12.728 -3.652 1.00 0.00 C ATOM 13 O ALA A 8 7.489 13.749 -3.157 1.00 0.00 O ATOM 14 CB ALA A 8 8.774 12.709 -6.064 1.00 0.00 C ATOM 0 H ALA A 8 5.688 11.964 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 8 7.635 11.194 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.738 12.354 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.577 12.280 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.793 13.796 -6.140 1.00 0.00 H new ATOM 20 N MET A 9 8.801 11.962 -2.969 1.00 0.00 N ATOM 21 CA MET A 9 9.202 12.321 -1.625 1.00 0.00 C ATOM 22 C MET A 9 10.682 12.081 -1.474 1.00 0.00 C ATOM 23 O MET A 9 11.308 11.449 -2.335 1.00 0.00 O ATOM 24 CB MET A 9 8.436 11.516 -0.549 1.00 0.00 C ATOM 25 CG MET A 9 8.847 10.051 -0.423 1.00 0.00 C ATOM 26 SD MET A 9 7.909 9.176 0.849 1.00 0.00 S ATOM 27 CE MET A 9 8.650 7.544 0.749 1.00 0.00 C ATOM 0 H MET A 9 9.196 11.088 -3.315 1.00 0.00 H new ATOM 0 HA MET A 9 8.964 13.374 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 9 8.579 12.002 0.416 1.00 0.00 H new ATOM 0 HB3 MET A 9 7.370 11.560 -0.774 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.704 9.553 -1.382 1.00 0.00 H new ATOM 0 HG3 MET A 9 9.910 9.994 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.960 6.806 1.158 1.00 0.00 H new ATOM 0 HE2 MET A 9 8.862 7.304 -0.293 1.00 0.00 H new ATOM 0 HE3 MET A 9 9.578 7.530 1.321 1.00 0.00 H new ATOM 37 N ALA A 10 11.231 12.568 -0.415 1.00 0.00 N ATOM 38 CA ALA A 10 12.613 12.380 -0.101 1.00 0.00 C ATOM 39 C ALA A 10 12.693 12.023 1.364 1.00 0.00 C ATOM 40 O ALA A 10 11.778 12.394 2.123 1.00 0.00 O ATOM 41 CB ALA A 10 13.398 13.662 -0.393 1.00 0.00 C ATOM 0 H ALA A 10 10.723 13.121 0.275 1.00 0.00 H new ATOM 0 HA ALA A 10 13.048 11.586 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.449 13.508 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 10 13.302 13.915 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.002 14.477 0.212 1.00 0.00 H new ATOM 47 N PRO A 11 13.707 11.250 1.783 1.00 0.00 N ATOM 48 CA PRO A 11 13.900 10.925 3.191 1.00 0.00 C ATOM 49 C PRO A 11 14.143 12.206 3.998 1.00 0.00 C ATOM 50 O PRO A 11 15.026 13.002 3.632 1.00 0.00 O ATOM 51 CB PRO A 11 15.157 10.031 3.196 1.00 0.00 C ATOM 52 CG PRO A 11 15.822 10.277 1.887 1.00 0.00 C ATOM 53 CD PRO A 11 14.727 10.620 0.923 1.00 0.00 C ATOM 0 HA PRO A 11 13.036 10.433 3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.817 10.285 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.891 8.980 3.310 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.543 11.091 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.370 9.395 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.074 11.300 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.339 9.733 0.422 1.00 0.00 H new ATOM 61 N PRO A 12 13.341 12.442 5.078 1.00 0.00 N ATOM 62 CA PRO A 12 13.451 13.652 5.918 1.00 0.00 C ATOM 63 C PRO A 12 14.888 13.889 6.354 1.00 0.00 C ATOM 64 O PRO A 12 15.454 14.969 6.123 1.00 0.00 O ATOM 65 CB PRO A 12 12.563 13.331 7.121 1.00 0.00 C ATOM 66 CG PRO A 12 11.551 12.375 6.587 1.00 0.00 C ATOM 67 CD PRO A 12 12.260 11.551 5.547 1.00 0.00 C ATOM 0 HA PRO A 12 13.150 14.559 5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 12 13.139 12.888 7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.091 14.230 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.156 11.742 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.705 12.907 6.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.656 10.627 5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.591 11.269 4.734 1.00 0.00 H new ATOM 75 N VAL A 13 15.467 12.884 6.961 1.00 0.00 N ATOM 76 CA VAL A 13 16.860 12.887 7.287 1.00 0.00 C ATOM 77 C VAL A 13 17.526 11.997 6.258 1.00 0.00 C ATOM 78 O VAL A 13 17.041 10.892 5.999 1.00 0.00 O ATOM 79 CB VAL A 13 17.128 12.328 8.717 1.00 0.00 C ATOM 80 CG1 VAL A 13 18.615 12.349 9.042 1.00 0.00 C ATOM 81 CG2 VAL A 13 16.353 13.123 9.759 1.00 0.00 C ATOM 0 H VAL A 13 14.975 12.036 7.243 1.00 0.00 H new ATOM 0 HA VAL A 13 17.249 13.905 7.276 1.00 0.00 H new ATOM 0 HB VAL A 13 16.786 11.293 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.774 11.954 10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.154 11.735 8.321 1.00 0.00 H new ATOM 0 HG13 VAL A 13 18.984 13.374 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.554 12.717 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.664 14.167 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.286 13.055 9.549 1.00 0.00 H new ATOM 91 N ALA A 14 18.583 12.466 5.648 1.00 0.00 N ATOM 92 CA ALA A 14 19.248 11.702 4.619 1.00 0.00 C ATOM 93 C ALA A 14 20.125 10.609 5.219 1.00 0.00 C ATOM 94 O ALA A 14 21.318 10.804 5.481 1.00 0.00 O ATOM 95 CB ALA A 14 20.032 12.607 3.679 1.00 0.00 C ATOM 0 H ALA A 14 19.004 13.374 5.844 1.00 0.00 H new ATOM 0 HA ALA A 14 18.481 11.207 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.521 12.002 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.352 13.313 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 14 20.785 13.155 4.245 1.00 0.00 H new ATOM 101 N ALA A 15 19.500 9.501 5.500 1.00 0.00 N ATOM 102 CA ALA A 15 20.138 8.320 6.053 1.00 0.00 C ATOM 103 C ALA A 15 19.393 7.051 5.584 1.00 0.00 C ATOM 104 O ALA A 15 20.026 6.126 5.048 1.00 0.00 O ATOM 105 CB ALA A 15 20.262 8.396 7.584 1.00 0.00 C ATOM 0 H ALA A 15 18.498 9.382 5.349 1.00 0.00 H new ATOM 0 HA ALA A 15 21.159 8.270 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.745 7.492 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.860 9.265 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.269 8.485 8.025 1.00 0.00 H new ATOM 111 N PRO A 16 18.030 6.959 5.780 1.00 0.00 N ATOM 112 CA PRO A 16 17.231 5.863 5.217 1.00 0.00 C ATOM 113 C PRO A 16 17.245 5.910 3.689 1.00 0.00 C ATOM 114 O PRO A 16 17.649 6.929 3.079 1.00 0.00 O ATOM 115 CB PRO A 16 15.810 6.145 5.733 1.00 0.00 C ATOM 116 CG PRO A 16 15.822 7.587 6.056 1.00 0.00 C ATOM 117 CD PRO A 16 17.181 7.839 6.605 1.00 0.00 C ATOM 0 HA PRO A 16 17.610 4.882 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 15.059 5.912 4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 16 15.578 5.542 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.634 8.193 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.049 7.837 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.469 8.886 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 16 17.244 7.587 7.664 1.00 0.00 H new ATOM 125 N SER A 17 16.812 4.855 3.082 1.00 0.00 N ATOM 126 CA SER A 17 16.830 4.748 1.659 1.00 0.00 C ATOM 127 C SER A 17 15.552 5.338 1.047 1.00 0.00 C ATOM 128 O SER A 17 14.455 5.103 1.559 1.00 0.00 O ATOM 129 CB SER A 17 16.980 3.281 1.291 1.00 0.00 C ATOM 130 OG SER A 17 18.115 2.728 1.943 1.00 0.00 O ATOM 0 H SER A 17 16.433 4.038 3.561 1.00 0.00 H new ATOM 0 HA SER A 17 17.669 5.317 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.083 2.732 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.085 3.178 0.211 1.00 0.00 H new ATOM 0 HG SER A 17 18.203 1.782 1.701 1.00 0.00 H new ATOM 136 N PRO A 18 15.685 6.160 -0.015 1.00 0.00 N ATOM 137 CA PRO A 18 14.535 6.705 -0.749 1.00 0.00 C ATOM 138 C PRO A 18 13.741 5.576 -1.409 1.00 0.00 C ATOM 139 O PRO A 18 14.327 4.541 -1.812 1.00 0.00 O ATOM 140 CB PRO A 18 15.182 7.594 -1.824 1.00 0.00 C ATOM 141 CG PRO A 18 16.561 7.855 -1.339 1.00 0.00 C ATOM 142 CD PRO A 18 16.959 6.641 -0.569 1.00 0.00 C ATOM 0 HA PRO A 18 13.839 7.245 -0.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.194 7.094 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.627 8.524 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 18 17.242 8.030 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.592 8.745 -0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 18 17.427 5.894 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.675 6.880 0.217 1.00 0.00 H new ATOM 150 N ALA A 19 12.446 5.753 -1.543 1.00 0.00 N ATOM 151 CA ALA A 19 11.599 4.747 -2.051 1.00 0.00 C ATOM 152 C ALA A 19 10.420 5.398 -2.748 1.00 0.00 C ATOM 153 O ALA A 19 10.398 6.615 -2.981 1.00 0.00 O ATOM 154 CB ALA A 19 11.119 3.865 -0.894 1.00 0.00 C ATOM 0 H ALA A 19 11.965 6.617 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 19 12.135 4.126 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.463 3.084 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.979 3.408 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.573 4.475 -0.174 1.00 0.00 H new ATOM 160 N VAL A 20 9.464 4.594 -3.053 1.00 0.00 N ATOM 161 CA VAL A 20 8.245 5.009 -3.711 1.00 0.00 C ATOM 162 C VAL A 20 7.330 5.716 -2.721 1.00 0.00 C ATOM 163 O VAL A 20 7.447 5.526 -1.511 1.00 0.00 O ATOM 164 CB VAL A 20 7.492 3.807 -4.360 1.00 0.00 C ATOM 165 CG1 VAL A 20 8.317 3.197 -5.481 1.00 0.00 C ATOM 166 CG2 VAL A 20 7.161 2.743 -3.323 1.00 0.00 C ATOM 0 H VAL A 20 9.496 3.595 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 20 8.524 5.696 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 20 6.559 4.188 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.773 2.360 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.503 3.950 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.267 2.842 -5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.636 1.917 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.083 2.374 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.526 3.174 -2.549 1.00 0.00 H new ATOM 176 N THR A 21 6.445 6.508 -3.225 1.00 0.00 N ATOM 177 CA THR A 21 5.554 7.267 -2.408 1.00 0.00 C ATOM 178 C THR A 21 4.167 7.227 -3.029 1.00 0.00 C ATOM 179 O THR A 21 4.018 6.979 -4.246 1.00 0.00 O ATOM 180 CB THR A 21 6.049 8.730 -2.271 1.00 0.00 C ATOM 181 OG1 THR A 21 5.233 9.472 -1.347 1.00 0.00 O ATOM 182 CG2 THR A 21 6.038 9.421 -3.617 1.00 0.00 C ATOM 0 H THR A 21 6.317 6.650 -4.227 1.00 0.00 H new ATOM 0 HA THR A 21 5.519 6.835 -1.408 1.00 0.00 H new ATOM 0 HB THR A 21 7.069 8.697 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.721 9.596 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.388 10.447 -3.502 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.694 8.888 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.023 9.427 -4.015 1.00 0.00 H new ATOM 190 N TYR A 22 3.170 7.412 -2.221 1.00 0.00 N ATOM 191 CA TYR A 22 1.806 7.360 -2.666 1.00 0.00 C ATOM 192 C TYR A 22 0.994 8.471 -2.022 1.00 0.00 C ATOM 193 O TYR A 22 1.355 8.976 -0.953 1.00 0.00 O ATOM 194 CB TYR A 22 1.200 5.999 -2.329 1.00 0.00 C ATOM 195 CG TYR A 22 1.861 4.833 -3.022 1.00 0.00 C ATOM 196 CD1 TYR A 22 1.373 4.357 -4.216 1.00 0.00 C ATOM 197 CD2 TYR A 22 2.986 4.223 -2.485 1.00 0.00 C ATOM 198 CE1 TYR A 22 1.984 3.319 -4.865 1.00 0.00 C ATOM 199 CE2 TYR A 22 3.598 3.181 -3.129 1.00 0.00 C ATOM 200 CZ TYR A 22 3.091 2.734 -4.321 1.00 0.00 C ATOM 201 OH TYR A 22 3.713 1.723 -5.002 1.00 0.00 O ATOM 0 H TYR A 22 3.277 7.605 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 22 1.785 7.500 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.258 5.846 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.142 6.011 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.493 4.810 -4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.385 4.575 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.591 2.963 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.473 2.715 -2.701 1.00 0.00 H new ATOM 0 HH TYR A 22 4.009 1.036 -4.369 1.00 0.00 H new ATOM 211 N ALA A 23 -0.072 8.852 -2.672 1.00 0.00 N ATOM 212 CA ALA A 23 -0.958 9.893 -2.191 1.00 0.00 C ATOM 213 C ALA A 23 -2.272 9.288 -1.768 1.00 0.00 C ATOM 214 O ALA A 23 -2.550 8.135 -2.081 1.00 0.00 O ATOM 215 CB ALA A 23 -1.209 10.892 -3.294 1.00 0.00 C ATOM 0 H ALA A 23 -0.359 8.447 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.494 10.391 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.875 11.675 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.263 11.336 -3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.670 10.388 -4.144 1.00 0.00 H new ATOM 221 N LEU A 24 -3.052 10.026 -1.011 1.00 0.00 N ATOM 222 CA LEU A 24 -4.387 9.574 -0.645 1.00 0.00 C ATOM 223 C LEU A 24 -5.272 9.505 -1.875 1.00 0.00 C ATOM 224 O LEU A 24 -4.968 10.126 -2.893 1.00 0.00 O ATOM 225 CB LEU A 24 -5.030 10.459 0.428 1.00 0.00 C ATOM 226 CG LEU A 24 -4.188 10.707 1.663 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.950 11.464 2.721 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.598 9.432 2.202 1.00 0.00 C ATOM 0 H LEU A 24 -2.792 10.938 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.285 8.577 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.277 11.421 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.969 10.000 0.737 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.355 11.341 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.309 11.620 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.264 12.429 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.828 10.891 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.001 9.653 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.400 8.744 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.964 8.975 1.442 1.00 0.00 H new ATOM 240 N GLN A 25 -6.350 8.724 -1.784 1.00 0.00 N ATOM 241 CA GLN A 25 -7.368 8.576 -2.852 1.00 0.00 C ATOM 242 C GLN A 25 -6.808 7.829 -4.066 1.00 0.00 C ATOM 243 O GLN A 25 -7.475 7.697 -5.100 1.00 0.00 O ATOM 244 CB GLN A 25 -7.936 9.933 -3.283 1.00 0.00 C ATOM 245 CG GLN A 25 -8.484 10.770 -2.147 1.00 0.00 C ATOM 246 CD GLN A 25 -9.116 12.050 -2.638 1.00 0.00 C ATOM 247 OE1 GLN A 25 -9.664 12.115 -3.743 1.00 0.00 O ATOM 248 NE2 GLN A 25 -9.026 13.081 -1.850 1.00 0.00 N ATOM 0 H GLN A 25 -6.553 8.163 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.180 7.984 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.152 10.497 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.730 9.766 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.223 10.190 -1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.679 11.007 -1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.567 12.992 -0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.415 13.979 -2.138 1.00 0.00 H new ATOM 257 N GLU A 26 -5.612 7.342 -3.917 1.00 0.00 N ATOM 258 CA GLU A 26 -4.911 6.621 -4.939 1.00 0.00 C ATOM 259 C GLU A 26 -5.293 5.153 -4.837 1.00 0.00 C ATOM 260 O GLU A 26 -5.302 4.587 -3.728 1.00 0.00 O ATOM 261 CB GLU A 26 -3.412 6.799 -4.681 1.00 0.00 C ATOM 262 CG GLU A 26 -2.463 6.219 -5.708 1.00 0.00 C ATOM 263 CD GLU A 26 -2.486 6.935 -7.027 1.00 0.00 C ATOM 264 OE1 GLU A 26 -1.910 8.036 -7.113 1.00 0.00 O ATOM 265 OE2 GLU A 26 -3.005 6.387 -8.018 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.080 7.439 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.162 6.985 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.208 7.866 -4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.179 6.352 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.449 6.246 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.714 5.171 -5.870 1.00 0.00 H new ATOM 272 N ASP A 27 -5.655 4.561 -5.947 1.00 0.00 N ATOM 273 CA ASP A 27 -5.955 3.143 -5.982 1.00 0.00 C ATOM 274 C ASP A 27 -4.707 2.405 -6.345 1.00 0.00 C ATOM 275 O ASP A 27 -4.066 2.707 -7.353 1.00 0.00 O ATOM 276 CB ASP A 27 -7.077 2.793 -6.964 1.00 0.00 C ATOM 277 CG ASP A 27 -8.439 3.272 -6.522 1.00 0.00 C ATOM 278 OD1 ASP A 27 -8.859 4.384 -6.928 1.00 0.00 O ATOM 279 OD2 ASP A 27 -9.143 2.519 -5.796 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.751 5.037 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.310 2.849 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.846 3.228 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.107 1.712 -7.098 1.00 0.00 H new ATOM 284 N VAL A 28 -4.343 1.471 -5.525 1.00 0.00 N ATOM 285 CA VAL A 28 -3.105 0.728 -5.670 1.00 0.00 C ATOM 286 C VAL A 28 -3.297 -0.712 -5.267 1.00 0.00 C ATOM 287 O VAL A 28 -4.239 -1.042 -4.526 1.00 0.00 O ATOM 288 CB VAL A 28 -1.982 1.342 -4.789 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.447 2.598 -5.408 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.543 1.681 -3.421 1.00 0.00 C ATOM 0 H VAL A 28 -4.899 1.189 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.815 0.782 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.177 0.613 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.662 3.010 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.037 2.372 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.252 3.326 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.756 2.112 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.355 2.400 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.922 0.775 -2.948 1.00 0.00 H new ATOM 300 N PHE A 29 -2.438 -1.567 -5.762 1.00 0.00 N ATOM 301 CA PHE A 29 -2.480 -2.955 -5.388 1.00 0.00 C ATOM 302 C PHE A 29 -1.620 -3.177 -4.165 1.00 0.00 C ATOM 303 O PHE A 29 -0.544 -2.592 -4.058 1.00 0.00 O ATOM 304 CB PHE A 29 -2.009 -3.867 -6.517 1.00 0.00 C ATOM 305 CG PHE A 29 -3.047 -4.168 -7.535 1.00 0.00 C ATOM 306 CD1 PHE A 29 -4.092 -5.016 -7.223 1.00 0.00 C ATOM 307 CD2 PHE A 29 -2.975 -3.640 -8.798 1.00 0.00 C ATOM 308 CE1 PHE A 29 -5.051 -5.329 -8.152 1.00 0.00 C ATOM 309 CE2 PHE A 29 -3.937 -3.946 -9.742 1.00 0.00 C ATOM 310 CZ PHE A 29 -4.976 -4.793 -9.415 1.00 0.00 C ATOM 0 H PHE A 29 -1.702 -1.325 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.518 -3.207 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.156 -3.402 -7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.656 -4.804 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.155 -5.439 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.160 -2.980 -9.057 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.862 -5.994 -7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.876 -3.523 -10.734 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.729 -5.034 -10.151 1.00 0.00 H new ATOM 320 N ILE A 30 -2.104 -3.996 -3.252 1.00 0.00 N ATOM 321 CA ILE A 30 -1.402 -4.329 -2.012 1.00 0.00 C ATOM 322 C ILE A 30 -1.221 -5.808 -1.929 1.00 0.00 C ATOM 323 O ILE A 30 -2.178 -6.566 -2.060 1.00 0.00 O ATOM 324 CB ILE A 30 -2.168 -3.855 -0.713 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.047 -2.361 -0.468 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.718 -4.612 0.538 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.575 -1.505 -1.565 1.00 0.00 C ATOM 0 H ILE A 30 -3.008 -4.459 -3.345 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.447 -3.804 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.216 -4.086 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.575 -2.114 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.997 -2.117 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.274 -4.249 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.907 -5.677 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.652 -4.449 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.446 -0.455 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.032 -1.717 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.635 -1.715 -1.712 1.00 0.00 H new ATOM 339 N LYS A 31 -0.013 -6.207 -1.775 1.00 0.00 N ATOM 340 CA LYS A 31 0.307 -7.579 -1.598 1.00 0.00 C ATOM 341 C LYS A 31 0.297 -7.922 -0.130 1.00 0.00 C ATOM 342 O LYS A 31 0.901 -7.229 0.679 1.00 0.00 O ATOM 343 CB LYS A 31 1.663 -7.886 -2.214 1.00 0.00 C ATOM 344 CG LYS A 31 2.190 -9.262 -1.894 1.00 0.00 C ATOM 345 CD LYS A 31 3.512 -9.502 -2.550 1.00 0.00 C ATOM 346 CE LYS A 31 4.125 -10.784 -2.069 1.00 0.00 C ATOM 347 NZ LYS A 31 5.414 -11.038 -2.735 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.794 -5.584 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.442 -8.189 -2.102 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.590 -7.780 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.383 -7.144 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.292 -9.373 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.475 -10.014 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.384 -9.539 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.184 -8.671 -2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.273 -10.738 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.443 -11.612 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.816 -11.931 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.267 -11.105 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.071 -10.258 -2.530 1.00 0.00 H new ATOM 361 N CYS A 32 -0.402 -8.946 0.211 1.00 0.00 N ATOM 362 CA CYS A 32 -0.423 -9.401 1.564 1.00 0.00 C ATOM 363 C CYS A 32 0.587 -10.535 1.677 1.00 0.00 C ATOM 364 O CYS A 32 1.121 -10.983 0.655 1.00 0.00 O ATOM 365 CB CYS A 32 -1.837 -9.849 1.932 1.00 0.00 C ATOM 366 SG CYS A 32 -2.100 -10.288 3.663 1.00 0.00 S ATOM 0 H CYS A 32 -0.974 -9.493 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.151 -8.609 2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.530 -9.049 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.097 -10.710 1.316 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.748 -11.413 3.732 1.00 0.00 H new ATOM 372 N ASN A 33 0.855 -11.015 2.883 1.00 0.00 N ATOM 373 CA ASN A 33 1.845 -12.087 3.083 1.00 0.00 C ATOM 374 C ASN A 33 1.360 -13.390 2.438 1.00 0.00 C ATOM 375 O ASN A 33 2.143 -14.300 2.153 1.00 0.00 O ATOM 376 CB ASN A 33 2.115 -12.308 4.563 1.00 0.00 C ATOM 377 CG ASN A 33 3.350 -13.165 4.820 1.00 0.00 C ATOM 378 OD1 ASN A 33 4.345 -13.108 4.068 1.00 0.00 O ATOM 379 ND2 ASN A 33 3.307 -13.965 5.853 1.00 0.00 N ATOM 0 H ASN A 33 0.408 -10.687 3.740 1.00 0.00 H new ATOM 0 HA ASN A 33 2.775 -11.780 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.241 -11.342 5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.247 -12.785 5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.102 -14.567 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.478 -13.987 6.447 1.00 0.00 H new ATOM 386 N ASP A 34 0.057 -13.439 2.172 1.00 0.00 N ATOM 387 CA ASP A 34 -0.579 -14.570 1.500 1.00 0.00 C ATOM 388 C ASP A 34 -0.213 -14.601 0.012 1.00 0.00 C ATOM 389 O ASP A 34 -0.482 -15.583 -0.683 1.00 0.00 O ATOM 390 CB ASP A 34 -2.121 -14.538 1.670 1.00 0.00 C ATOM 391 CG ASP A 34 -2.780 -13.246 1.195 1.00 0.00 C ATOM 392 OD1 ASP A 34 -3.558 -12.632 1.985 1.00 0.00 O ATOM 393 OD2 ASP A 34 -2.529 -12.814 0.068 1.00 0.00 O1- ATOM 0 H ASP A 34 -0.591 -12.691 2.418 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.204 -15.479 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.552 -15.375 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.362 -14.689 2.722 1.00 0.00 H new ATOM 398 N GLY A 35 0.379 -13.519 -0.466 1.00 0.00 N ATOM 399 CA GLY A 35 0.880 -13.454 -1.814 1.00 0.00 C ATOM 400 C GLY A 35 -0.122 -12.968 -2.837 1.00 0.00 C ATOM 401 O GLY A 35 0.157 -13.022 -4.042 1.00 0.00 O ATOM 0 H GLY A 35 0.522 -12.666 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.748 -12.795 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.226 -14.445 -2.107 1.00 0.00 H new ATOM 405 N ARG A 36 -1.278 -12.530 -2.399 1.00 0.00 N ATOM 406 CA ARG A 36 -2.257 -11.977 -3.318 1.00 0.00 C ATOM 407 C ARG A 36 -2.167 -10.476 -3.339 1.00 0.00 C ATOM 408 O ARG A 36 -1.644 -9.858 -2.397 1.00 0.00 O ATOM 409 CB ARG A 36 -3.707 -12.356 -2.971 1.00 0.00 C ATOM 410 CG ARG A 36 -4.135 -13.786 -3.246 1.00 0.00 C ATOM 411 CD ARG A 36 -3.484 -14.786 -2.323 1.00 0.00 C ATOM 412 NE ARG A 36 -4.098 -16.100 -2.459 1.00 0.00 N ATOM 413 CZ ARG A 36 -3.934 -17.106 -1.605 1.00 0.00 C ATOM 414 NH1 ARG A 36 -2.975 -17.053 -0.678 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -4.684 -18.190 -1.717 1.00 0.00 N ATOM 0 H ARG A 36 -1.567 -12.543 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.017 -12.405 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.865 -12.154 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.371 -11.692 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.218 -13.860 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.891 -14.040 -4.278 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.419 -14.853 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.572 -14.445 -1.292 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.698 -16.260 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.364 -16.238 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.853 -17.827 -0.025 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.384 -18.252 -2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.562 -18.964 -1.064 1.00 0.00 H new ATOM 429 N PHE A 37 -2.656 -9.894 -4.408 1.00 0.00 N ATOM 430 CA PHE A 37 -2.764 -8.474 -4.514 1.00 0.00 C ATOM 431 C PHE A 37 -4.199 -8.046 -4.359 1.00 0.00 C ATOM 432 O PHE A 37 -5.101 -8.577 -5.001 1.00 0.00 O ATOM 433 CB PHE A 37 -2.191 -7.945 -5.820 1.00 0.00 C ATOM 434 CG PHE A 37 -0.732 -7.614 -5.749 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.332 -6.478 -5.087 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.227 -8.402 -6.357 1.00 0.00 C ATOM 437 CE1 PHE A 37 0.975 -6.110 -5.014 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.565 -8.049 -6.290 1.00 0.00 C ATOM 439 CZ PHE A 37 1.941 -6.897 -5.615 1.00 0.00 C ATOM 0 H PHE A 37 -2.989 -10.402 -5.228 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.171 -8.045 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.348 -8.688 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.743 -7.052 -6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.078 -5.859 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.068 -9.296 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.257 -5.209 -4.490 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.313 -8.669 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.982 -6.616 -5.559 1.00 0.00 H new ATOM 449 N TYR A 38 -4.396 -7.117 -3.498 1.00 0.00 N ATOM 450 CA TYR A 38 -5.687 -6.584 -3.195 1.00 0.00 C ATOM 451 C TYR A 38 -5.700 -5.132 -3.618 1.00 0.00 C ATOM 452 O TYR A 38 -4.823 -4.375 -3.231 1.00 0.00 O ATOM 453 CB TYR A 38 -5.939 -6.702 -1.684 1.00 0.00 C ATOM 454 CG TYR A 38 -5.865 -8.123 -1.159 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.007 -8.884 -0.984 1.00 0.00 C ATOM 456 CD2 TYR A 38 -4.639 -8.706 -0.863 1.00 0.00 C ATOM 457 CE1 TYR A 38 -6.931 -10.183 -0.525 1.00 0.00 C ATOM 458 CE2 TYR A 38 -4.556 -9.997 -0.405 1.00 0.00 C ATOM 459 CZ TYR A 38 -5.698 -10.734 -0.238 1.00 0.00 C ATOM 460 OH TYR A 38 -5.608 -12.040 0.207 1.00 0.00 O ATOM 0 H TYR A 38 -3.642 -6.687 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.469 -7.130 -3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.208 -6.091 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.923 -6.291 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.972 -8.455 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -3.734 -8.132 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.831 -10.765 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.593 -10.430 -0.177 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.959 -12.092 0.939 1.00 0.00 H new ATOM 470 N LEU A 39 -6.637 -4.761 -4.442 1.00 0.00 N ATOM 471 CA LEU A 39 -6.727 -3.394 -4.920 1.00 0.00 C ATOM 472 C LEU A 39 -7.518 -2.538 -3.938 1.00 0.00 C ATOM 473 O LEU A 39 -8.677 -2.819 -3.653 1.00 0.00 O ATOM 474 CB LEU A 39 -7.344 -3.360 -6.335 1.00 0.00 C ATOM 475 CG LEU A 39 -7.553 -1.978 -6.984 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.284 -1.176 -6.954 1.00 0.00 C ATOM 477 CD2 LEU A 39 -7.990 -2.135 -8.423 1.00 0.00 C ATOM 0 H LEU A 39 -7.359 -5.384 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.723 -2.974 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.707 -3.949 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.310 -3.862 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.324 -1.458 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.456 -0.205 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.968 -1.034 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.505 -1.706 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.134 -1.151 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.225 -2.677 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.927 -2.691 -8.460 1.00 0.00 H new ATOM 489 N GLY A 40 -6.886 -1.510 -3.430 1.00 0.00 N ATOM 490 CA GLY A 40 -7.530 -0.652 -2.475 1.00 0.00 C ATOM 491 C GLY A 40 -7.217 0.803 -2.723 1.00 0.00 C ATOM 492 O GLY A 40 -6.358 1.125 -3.548 1.00 0.00 O ATOM 0 H GLY A 40 -5.928 -1.249 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.608 -0.804 -2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.211 -0.925 -1.469 1.00 0.00 H new ATOM 496 N THR A 41 -7.908 1.663 -2.029 1.00 0.00 N ATOM 497 CA THR A 41 -7.731 3.091 -2.135 1.00 0.00 C ATOM 498 C THR A 41 -7.049 3.601 -0.847 1.00 0.00 C ATOM 499 O THR A 41 -7.468 3.254 0.251 1.00 0.00 O ATOM 500 CB THR A 41 -9.113 3.772 -2.276 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.893 3.119 -3.303 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.968 5.246 -2.627 1.00 0.00 C ATOM 0 H THR A 41 -8.626 1.389 -1.359 1.00 0.00 H new ATOM 0 HA THR A 41 -7.119 3.325 -3.006 1.00 0.00 H new ATOM 0 HB THR A 41 -9.620 3.686 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.350 3.019 -4.113 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.956 5.697 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.409 5.754 -1.841 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.435 5.344 -3.573 1.00 0.00 H new ATOM 510 N ILE A 42 -5.999 4.383 -0.984 1.00 0.00 N ATOM 511 CA ILE A 42 -5.274 4.916 0.179 1.00 0.00 C ATOM 512 C ILE A 42 -6.109 5.981 0.900 1.00 0.00 C ATOM 513 O ILE A 42 -6.659 6.886 0.261 1.00 0.00 O ATOM 514 CB ILE A 42 -3.922 5.538 -0.239 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.163 4.551 -1.115 1.00 0.00 C ATOM 516 CG2 ILE A 42 -3.093 5.898 1.005 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.826 5.020 -1.562 1.00 0.00 C ATOM 0 H ILE A 42 -5.618 4.671 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.088 4.079 0.852 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.105 6.452 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.041 3.618 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.767 4.327 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.144 6.335 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.642 6.617 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.905 4.998 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.359 4.253 -2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.937 5.936 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.199 5.216 -0.692 1.00 0.00 H new ATOM 529 N ILE A 43 -6.216 5.872 2.204 1.00 0.00 N ATOM 530 CA ILE A 43 -6.973 6.844 2.995 1.00 0.00 C ATOM 531 C ILE A 43 -6.079 7.699 3.859 1.00 0.00 C ATOM 532 O ILE A 43 -6.385 8.857 4.111 1.00 0.00 O ATOM 533 CB ILE A 43 -8.061 6.219 3.903 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.484 5.051 4.722 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.290 5.807 3.114 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.743 3.697 4.168 1.00 0.00 C ATOM 0 H ILE A 43 -5.792 5.122 2.750 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.469 7.455 2.241 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.388 6.986 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.406 5.189 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.896 5.098 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.028 5.374 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.717 6.681 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.009 5.070 2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.295 2.946 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.818 3.529 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.306 3.621 3.172 1.00 0.00 H new ATOM 548 N ASP A 44 -4.983 7.145 4.318 1.00 0.00 N ATOM 549 CA ASP A 44 -4.079 7.904 5.161 1.00 0.00 C ATOM 550 C ASP A 44 -2.694 7.418 4.887 1.00 0.00 C ATOM 551 O ASP A 44 -2.517 6.271 4.471 1.00 0.00 O ATOM 552 CB ASP A 44 -4.422 7.727 6.645 1.00 0.00 C ATOM 553 CG ASP A 44 -3.774 8.768 7.538 1.00 0.00 C ATOM 554 OD1 ASP A 44 -3.126 8.402 8.535 1.00 0.00 O ATOM 555 OD2 ASP A 44 -3.906 9.981 7.248 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.694 6.185 4.128 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.168 8.967 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.504 7.774 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.107 6.735 6.968 1.00 0.00 H new ATOM 560 N GLN A 45 -1.728 8.248 5.062 1.00 0.00 N ATOM 561 CA GLN A 45 -0.384 7.868 4.792 1.00 0.00 C ATOM 562 C GLN A 45 0.507 8.266 5.927 1.00 0.00 C ATOM 563 O GLN A 45 0.108 9.048 6.794 1.00 0.00 O ATOM 564 CB GLN A 45 0.089 8.444 3.426 1.00 0.00 C ATOM 565 CG GLN A 45 0.143 9.973 3.268 1.00 0.00 C ATOM 566 CD GLN A 45 1.376 10.615 3.885 1.00 0.00 C ATOM 567 OE1 GLN A 45 1.382 11.014 5.040 1.00 0.00 O ATOM 568 NE2 GLN A 45 2.429 10.713 3.118 1.00 0.00 N ATOM 0 H GLN A 45 -1.844 9.205 5.395 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.329 6.783 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.086 8.052 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.570 8.051 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.110 10.220 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.747 10.407 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.394 10.371 2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.286 11.132 3.479 1.00 0.00 H new ATOM 577 N THR A 46 1.673 7.704 5.945 1.00 0.00 N ATOM 578 CA THR A 46 2.691 8.043 6.883 1.00 0.00 C ATOM 579 C THR A 46 4.002 7.989 6.121 1.00 0.00 C ATOM 580 O THR A 46 3.989 7.694 4.919 1.00 0.00 O ATOM 581 CB THR A 46 2.737 7.065 8.106 1.00 0.00 C ATOM 582 OG1 THR A 46 2.765 5.713 7.656 1.00 0.00 O ATOM 583 CG2 THR A 46 1.562 7.264 9.057 1.00 0.00 C ATOM 0 H THR A 46 1.950 6.975 5.287 1.00 0.00 H new ATOM 0 HA THR A 46 2.494 9.030 7.301 1.00 0.00 H new ATOM 0 HB THR A 46 3.649 7.292 8.658 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.202 5.622 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.642 6.562 9.887 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.574 8.284 9.442 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.628 7.089 8.523 1.00 0.00 H new ATOM 591 N SER A 47 5.100 8.231 6.782 1.00 0.00 N ATOM 592 CA SER A 47 6.395 8.213 6.147 1.00 0.00 C ATOM 593 C SER A 47 6.872 6.798 5.848 1.00 0.00 C ATOM 594 O SER A 47 7.851 6.607 5.127 1.00 0.00 O ATOM 595 CB SER A 47 7.388 8.891 7.072 1.00 0.00 C ATOM 596 OG SER A 47 7.261 8.376 8.402 1.00 0.00 O ATOM 0 H SER A 47 5.126 8.447 7.779 1.00 0.00 H new ATOM 0 HA SER A 47 6.317 8.737 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.403 8.730 6.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.217 9.968 7.074 1.00 0.00 H new ATOM 0 HG SER A 47 7.597 7.456 8.430 1.00 0.00 H new ATOM 602 N ASP A 48 6.213 5.812 6.426 1.00 0.00 N ATOM 603 CA ASP A 48 6.697 4.451 6.298 1.00 0.00 C ATOM 604 C ASP A 48 5.594 3.482 5.922 1.00 0.00 C ATOM 605 O ASP A 48 5.872 2.376 5.466 1.00 0.00 O ATOM 606 CB ASP A 48 7.326 3.978 7.613 1.00 0.00 C ATOM 607 CG ASP A 48 8.380 4.912 8.176 1.00 0.00 C ATOM 608 OD1 ASP A 48 9.544 4.811 7.796 1.00 0.00 O ATOM 609 OD2 ASP A 48 8.036 5.778 9.030 1.00 0.00 O1- ATOM 0 H ASP A 48 5.361 5.922 6.976 1.00 0.00 H new ATOM 0 HA ASP A 48 7.440 4.462 5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.537 3.852 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.774 2.997 7.455 1.00 0.00 H new ATOM 614 N GLN A 49 4.347 3.855 6.167 1.00 0.00 N ATOM 615 CA GLN A 49 3.225 2.980 5.870 1.00 0.00 C ATOM 616 C GLN A 49 2.113 3.741 5.176 1.00 0.00 C ATOM 617 O GLN A 49 2.073 4.979 5.205 1.00 0.00 O ATOM 618 CB GLN A 49 2.639 2.334 7.136 1.00 0.00 C ATOM 619 CG GLN A 49 3.589 1.460 7.942 1.00 0.00 C ATOM 620 CD GLN A 49 4.527 2.222 8.873 1.00 0.00 C ATOM 621 OE1 GLN A 49 4.102 3.366 9.357 1.00 0.00 O flip ATOM 622 NE2 GLN A 49 5.641 1.760 9.156 1.00 0.00 N flip ATOM 0 H GLN A 49 4.088 4.756 6.570 1.00 0.00 H new ATOM 0 HA GLN A 49 3.617 2.199 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.268 3.127 7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.779 1.730 6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.001 0.760 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.189 0.867 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.938 0.868 8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.261 2.272 9.784 1.00 0.00 H new ATOM 631 N TYR A 50 1.219 3.018 4.569 1.00 0.00 N ATOM 632 CA TYR A 50 0.064 3.590 3.918 1.00 0.00 C ATOM 633 C TYR A 50 -1.188 2.844 4.353 1.00 0.00 C ATOM 634 O TYR A 50 -1.197 1.613 4.377 1.00 0.00 O ATOM 635 CB TYR A 50 0.232 3.542 2.394 1.00 0.00 C ATOM 636 CG TYR A 50 1.350 4.427 1.878 1.00 0.00 C ATOM 637 CD1 TYR A 50 1.097 5.750 1.617 1.00 0.00 C ATOM 638 CD2 TYR A 50 2.660 3.952 1.683 1.00 0.00 C ATOM 639 CE1 TYR A 50 2.089 6.592 1.178 1.00 0.00 C ATOM 640 CE2 TYR A 50 3.654 4.788 1.239 1.00 0.00 C ATOM 641 CZ TYR A 50 3.365 6.113 0.991 1.00 0.00 C ATOM 642 OH TYR A 50 4.349 6.958 0.544 1.00 0.00 O ATOM 0 H TYR A 50 1.266 2.001 4.508 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.034 4.635 4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.425 2.513 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.704 3.843 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.099 6.137 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.886 2.916 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.867 7.630 0.980 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.654 4.411 1.085 1.00 0.00 H new ATOM 0 HH TYR A 50 5.217 6.662 0.890 1.00 0.00 H new ATOM 652 N LEU A 51 -2.213 3.584 4.741 1.00 0.00 N ATOM 653 CA LEU A 51 -3.458 3.008 5.200 1.00 0.00 C ATOM 654 C LEU A 51 -4.324 2.822 3.997 1.00 0.00 C ATOM 655 O LEU A 51 -4.699 3.804 3.335 1.00 0.00 O ATOM 656 CB LEU A 51 -4.160 3.936 6.201 1.00 0.00 C ATOM 657 CG LEU A 51 -5.373 3.358 6.938 1.00 0.00 C ATOM 658 CD1 LEU A 51 -4.986 2.169 7.785 1.00 0.00 C ATOM 659 CD2 LEU A 51 -6.045 4.420 7.782 1.00 0.00 C ATOM 0 H LEU A 51 -2.201 4.604 4.745 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.268 2.062 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.428 4.251 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.480 4.832 5.669 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.084 3.015 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.869 1.782 8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.564 1.391 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.245 2.474 8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.903 3.987 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.337 4.803 8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.379 5.236 7.141 1.00 0.00 H new ATOM 671 N ILE A 52 -4.597 1.603 3.667 1.00 0.00 N ATOM 672 CA ILE A 52 -5.331 1.299 2.461 1.00 0.00 C ATOM 673 C ILE A 52 -6.717 0.783 2.795 1.00 0.00 C ATOM 674 O ILE A 52 -6.868 -0.029 3.706 1.00 0.00 O ATOM 675 CB ILE A 52 -4.586 0.231 1.624 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.077 0.528 1.587 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.151 0.188 0.205 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.721 1.842 0.954 1.00 0.00 C ATOM 0 H ILE A 52 -4.324 0.787 4.215 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.416 2.219 1.883 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.734 -0.742 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.690 0.512 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.574 -0.272 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.620 -0.566 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.211 -0.063 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.026 1.163 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.639 1.972 0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.074 1.857 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.192 2.653 1.510 1.00 0.00 H new ATOM 690 N ARG A 53 -7.710 1.283 2.088 1.00 0.00 N ATOM 691 CA ARG A 53 -9.069 0.841 2.228 1.00 0.00 C ATOM 692 C ARG A 53 -9.389 -0.046 1.065 1.00 0.00 C ATOM 693 O ARG A 53 -9.354 0.387 -0.084 1.00 0.00 O ATOM 694 CB ARG A 53 -10.058 2.014 2.270 1.00 0.00 C ATOM 695 CG ARG A 53 -11.513 1.590 2.403 1.00 0.00 C ATOM 696 CD ARG A 53 -12.430 2.787 2.533 1.00 0.00 C ATOM 697 NE ARG A 53 -12.449 3.633 1.329 1.00 0.00 N ATOM 698 CZ ARG A 53 -12.671 4.964 1.334 1.00 0.00 C ATOM 699 NH1 ARG A 53 -12.819 5.617 2.496 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -12.734 5.630 0.181 1.00 0.00 N ATOM 0 H ARG A 53 -7.586 2.018 1.392 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.168 0.306 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.801 2.663 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.944 2.605 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.803 1.001 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.627 0.946 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.442 2.441 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.115 3.387 3.387 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.283 3.182 0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.764 5.108 3.378 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.987 6.623 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.615 5.133 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.902 6.636 0.182 1.00 0.00 H new ATOM 714 N PHE A 54 -9.666 -1.260 1.352 1.00 0.00 N ATOM 715 CA PHE A 54 -9.938 -2.247 0.341 1.00 0.00 C ATOM 716 C PHE A 54 -11.409 -2.268 -0.016 1.00 0.00 C ATOM 717 O PHE A 54 -12.210 -1.537 0.581 1.00 0.00 O ATOM 718 CB PHE A 54 -9.461 -3.606 0.813 1.00 0.00 C ATOM 719 CG PHE A 54 -7.992 -3.625 1.096 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.507 -3.391 2.368 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.100 -3.844 0.075 1.00 0.00 C ATOM 722 CE1 PHE A 54 -6.154 -3.379 2.611 1.00 0.00 C ATOM 723 CE2 PHE A 54 -5.750 -3.841 0.308 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.268 -3.607 1.576 1.00 0.00 C ATOM 0 H PHE A 54 -9.715 -1.617 2.306 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.393 -1.985 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.006 -3.887 1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.692 -4.354 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.198 -3.216 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.468 -4.021 -0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.785 -3.192 3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.062 -4.023 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.204 -3.602 1.760 1.00 0.00 H new ATOM 734 N ASP A 55 -11.770 -3.123 -0.962 1.00 0.00 N ATOM 735 CA ASP A 55 -13.153 -3.236 -1.454 1.00 0.00 C ATOM 736 C ASP A 55 -14.068 -3.771 -0.351 1.00 0.00 C ATOM 737 O ASP A 55 -15.268 -3.513 -0.325 1.00 0.00 O ATOM 738 CB ASP A 55 -13.208 -4.140 -2.698 1.00 0.00 C ATOM 739 CG ASP A 55 -14.578 -4.201 -3.336 1.00 0.00 C ATOM 740 OD1 ASP A 55 -14.922 -3.288 -4.112 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.324 -5.174 -3.107 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.118 -3.763 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.505 -2.244 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.489 -3.778 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.900 -5.148 -2.420 1.00 0.00 H new ATOM 746 N ASP A 56 -13.457 -4.457 0.605 1.00 0.00 N ATOM 747 CA ASP A 56 -14.149 -4.992 1.790 1.00 0.00 C ATOM 748 C ASP A 56 -14.245 -3.894 2.881 1.00 0.00 C ATOM 749 O ASP A 56 -14.678 -4.126 3.995 1.00 0.00 O ATOM 750 CB ASP A 56 -13.370 -6.235 2.302 1.00 0.00 C ATOM 751 CG ASP A 56 -13.874 -6.829 3.614 1.00 0.00 C ATOM 752 OD1 ASP A 56 -14.949 -7.472 3.630 1.00 0.00 O ATOM 753 OD2 ASP A 56 -13.174 -6.669 4.657 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.458 -4.665 0.588 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.165 -5.295 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.408 -7.008 1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.322 -5.960 2.426 1.00 0.00 H new ATOM 758 N GLN A 57 -13.856 -2.675 2.502 1.00 0.00 N ATOM 759 CA GLN A 57 -13.944 -1.452 3.330 1.00 0.00 C ATOM 760 C GLN A 57 -12.996 -1.479 4.534 1.00 0.00 C ATOM 761 O GLN A 57 -13.031 -0.592 5.379 1.00 0.00 O ATOM 762 CB GLN A 57 -15.388 -1.199 3.793 1.00 0.00 C ATOM 763 CG GLN A 57 -16.412 -1.139 2.665 1.00 0.00 C ATOM 764 CD GLN A 57 -16.181 -0.028 1.653 1.00 0.00 C ATOM 765 OE1 GLN A 57 -16.513 -0.183 0.479 1.00 0.00 O ATOM 766 NE2 GLN A 57 -15.667 1.102 2.075 1.00 0.00 N ATOM 0 H GLN A 57 -13.456 -2.497 1.581 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.627 -0.628 2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.677 -1.988 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.420 -0.260 4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.411 -2.095 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.404 -1.015 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.399 1.207 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.535 1.877 1.425 1.00 0.00 H new ATOM 775 N SER A 58 -12.140 -2.463 4.581 1.00 0.00 N ATOM 776 CA SER A 58 -11.196 -2.595 5.660 1.00 0.00 C ATOM 777 C SER A 58 -9.977 -1.723 5.411 1.00 0.00 C ATOM 778 O SER A 58 -9.596 -1.497 4.253 1.00 0.00 O ATOM 779 CB SER A 58 -10.806 -4.058 5.825 1.00 0.00 C ATOM 780 OG SER A 58 -11.951 -4.829 6.187 1.00 0.00 O ATOM 0 H SER A 58 -12.076 -3.196 3.874 1.00 0.00 H new ATOM 0 HA SER A 58 -11.659 -2.256 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.381 -4.437 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.036 -4.154 6.590 1.00 0.00 H new ATOM 0 HG SER A 58 -12.183 -5.434 5.452 1.00 0.00 H new ATOM 786 N GLU A 59 -9.388 -1.236 6.482 1.00 0.00 N ATOM 787 CA GLU A 59 -8.233 -0.377 6.404 1.00 0.00 C ATOM 788 C GLU A 59 -7.050 -1.108 7.021 1.00 0.00 C ATOM 789 O GLU A 59 -7.201 -1.771 8.049 1.00 0.00 O ATOM 790 CB GLU A 59 -8.481 0.912 7.190 1.00 0.00 C ATOM 791 CG GLU A 59 -9.749 1.646 6.804 1.00 0.00 C ATOM 792 CD GLU A 59 -9.905 2.944 7.546 1.00 0.00 C ATOM 793 OE1 GLU A 59 -10.062 3.995 6.901 1.00 0.00 O ATOM 794 OE2 GLU A 59 -9.873 2.945 8.796 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.701 -1.427 7.434 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.034 -0.127 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.523 0.673 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.631 1.580 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.741 1.842 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.610 1.009 7.005 1.00 0.00 H new ATOM 801 N GLN A 60 -5.910 -1.029 6.388 1.00 0.00 N ATOM 802 CA GLN A 60 -4.699 -1.673 6.888 1.00 0.00 C ATOM 803 C GLN A 60 -3.486 -0.826 6.535 1.00 0.00 C ATOM 804 O GLN A 60 -3.443 -0.235 5.453 1.00 0.00 O ATOM 805 CB GLN A 60 -4.559 -3.088 6.270 1.00 0.00 C ATOM 806 CG GLN A 60 -3.250 -3.821 6.597 1.00 0.00 C ATOM 807 CD GLN A 60 -3.041 -4.062 8.075 1.00 0.00 C ATOM 808 OE1 GLN A 60 -3.990 -4.248 8.829 1.00 0.00 O ATOM 809 NE2 GLN A 60 -1.803 -4.007 8.505 1.00 0.00 N ATOM 0 H GLN A 60 -5.782 -0.521 5.513 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.764 -1.768 7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.394 -3.700 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.648 -3.004 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.241 -4.779 6.077 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.412 -3.240 6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.041 -3.850 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.603 -4.121 9.499 1.00 0.00 H new ATOM 818 N TRP A 61 -2.510 -0.779 7.427 1.00 0.00 N ATOM 819 CA TRP A 61 -1.274 -0.075 7.168 1.00 0.00 C ATOM 820 C TRP A 61 -0.333 -1.035 6.503 1.00 0.00 C ATOM 821 O TRP A 61 0.078 -2.043 7.090 1.00 0.00 O ATOM 822 CB TRP A 61 -0.637 0.474 8.460 1.00 0.00 C ATOM 823 CG TRP A 61 -1.362 1.640 9.051 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.205 1.635 10.120 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.314 2.990 8.588 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.669 2.902 10.351 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.143 3.746 9.414 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.649 3.630 7.553 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.324 5.105 9.230 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.840 4.978 7.374 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.665 5.694 8.203 1.00 0.00 C ATOM 0 H TRP A 61 -2.555 -1.225 8.343 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.481 0.783 6.529 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.594 -0.326 9.199 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.391 0.768 8.249 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.468 0.762 10.699 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.305 3.172 11.101 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.008 3.077 6.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.968 5.676 9.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.332 5.483 6.566 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.793 6.753 8.033 1.00 0.00 H new ATOM 842 N CYS A 62 -0.053 -0.762 5.275 1.00 0.00 N ATOM 843 CA CYS A 62 0.760 -1.609 4.471 1.00 0.00 C ATOM 844 C CYS A 62 2.042 -0.880 4.105 1.00 0.00 C ATOM 845 O CYS A 62 2.079 0.365 4.102 1.00 0.00 O ATOM 846 CB CYS A 62 -0.022 -1.961 3.212 1.00 0.00 C ATOM 847 SG CYS A 62 -1.716 -2.528 3.547 1.00 0.00 S ATOM 0 H CYS A 62 -0.389 0.072 4.792 1.00 0.00 H new ATOM 0 HA CYS A 62 1.020 -2.519 5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.062 -1.087 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.512 -2.739 2.667 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.356 -1.614 4.214 1.00 0.00 H new ATOM 853 N GLU A 63 3.080 -1.638 3.844 1.00 0.00 N ATOM 854 CA GLU A 63 4.356 -1.101 3.428 1.00 0.00 C ATOM 855 C GLU A 63 4.280 -0.617 2.006 1.00 0.00 C ATOM 856 O GLU A 63 3.539 -1.181 1.198 1.00 0.00 O ATOM 857 CB GLU A 63 5.404 -2.181 3.439 1.00 0.00 C ATOM 858 CG GLU A 63 5.749 -2.726 4.775 1.00 0.00 C ATOM 859 CD GLU A 63 6.453 -4.045 4.636 1.00 0.00 C ATOM 860 OE1 GLU A 63 7.690 -4.067 4.517 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.767 -5.098 4.595 1.00 0.00 O1- ATOM 0 H GLU A 63 3.064 -2.655 3.915 1.00 0.00 H new ATOM 0 HA GLU A 63 4.606 -0.292 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.061 -3.002 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.312 -1.786 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.386 -2.021 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.844 -2.851 5.369 1.00 0.00 H new ATOM 868 N PRO A 64 5.101 0.384 1.660 1.00 0.00 N ATOM 869 CA PRO A 64 5.233 0.871 0.282 1.00 0.00 C ATOM 870 C PRO A 64 5.720 -0.261 -0.648 1.00 0.00 C ATOM 871 O PRO A 64 5.485 -0.251 -1.852 1.00 0.00 O ATOM 872 CB PRO A 64 6.258 2.006 0.372 1.00 0.00 C ATOM 873 CG PRO A 64 6.451 2.304 1.829 1.00 0.00 C ATOM 874 CD PRO A 64 5.946 1.126 2.608 1.00 0.00 C ATOM 0 HA PRO A 64 4.287 1.214 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.201 1.713 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.904 2.889 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.504 2.483 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.910 3.208 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.768 0.510 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.376 1.444 3.481 1.00 0.00 H new ATOM 882 N ASP A 65 6.362 -1.249 -0.032 1.00 0.00 N ATOM 883 CA ASP A 65 6.807 -2.494 -0.675 1.00 0.00 C ATOM 884 C ASP A 65 5.630 -3.313 -1.205 1.00 0.00 C ATOM 885 O ASP A 65 5.711 -3.965 -2.254 1.00 0.00 O ATOM 886 CB ASP A 65 7.614 -3.327 0.340 1.00 0.00 C ATOM 887 CG ASP A 65 7.827 -4.777 -0.060 1.00 0.00 C ATOM 888 OD1 ASP A 65 7.353 -5.680 0.689 1.00 0.00 O ATOM 889 OD2 ASP A 65 8.467 -5.043 -1.110 1.00 0.00 O1- ATOM 0 H ASP A 65 6.597 -1.210 0.960 1.00 0.00 H new ATOM 0 HA ASP A 65 7.432 -2.233 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.587 -2.857 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.101 -3.300 1.301 1.00 0.00 H new ATOM 894 N LYS A 66 4.527 -3.239 -0.514 1.00 0.00 N ATOM 895 CA LYS A 66 3.373 -4.030 -0.864 1.00 0.00 C ATOM 896 C LYS A 66 2.480 -3.306 -1.841 1.00 0.00 C ATOM 897 O LYS A 66 1.632 -3.914 -2.470 1.00 0.00 O ATOM 898 CB LYS A 66 2.595 -4.421 0.385 1.00 0.00 C ATOM 899 CG LYS A 66 3.378 -5.274 1.366 1.00 0.00 C ATOM 900 CD LYS A 66 3.938 -6.523 0.702 1.00 0.00 C ATOM 901 CE LYS A 66 4.545 -7.464 1.713 1.00 0.00 C ATOM 902 NZ LYS A 66 5.681 -6.862 2.457 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.399 -2.637 0.299 1.00 0.00 H new ATOM 0 HA LYS A 66 3.729 -4.937 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.265 -3.514 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.698 -4.963 0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.195 -4.688 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.732 -5.561 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.143 -7.035 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.693 -6.239 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.776 -7.772 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.888 -8.364 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.361 -7.606 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.151 -6.153 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.327 -6.405 3.321 1.00 0.00 H new ATOM 916 N LEU A 67 2.710 -2.030 -1.979 1.00 0.00 N ATOM 917 CA LEU A 67 1.925 -1.182 -2.842 1.00 0.00 C ATOM 918 C LEU A 67 2.537 -1.089 -4.201 1.00 0.00 C ATOM 919 O LEU A 67 3.749 -0.909 -4.330 1.00 0.00 O ATOM 920 CB LEU A 67 1.834 0.189 -2.240 1.00 0.00 C ATOM 921 CG LEU A 67 1.070 0.275 -0.951 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.801 1.101 0.034 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.226 0.902 -1.201 1.00 0.00 C ATOM 0 H LEU A 67 3.458 -1.540 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 67 0.930 -1.615 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.844 0.561 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.367 0.856 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 67 0.944 -0.733 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.231 1.151 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.776 0.655 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.936 2.107 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.785 0.967 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.074 1.904 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.787 0.304 -1.919 1.00 0.00 H new ATOM 935 N ARG A 68 1.719 -1.222 -5.207 1.00 0.00 N ATOM 936 CA ARG A 68 2.151 -1.112 -6.587 1.00 0.00 C ATOM 937 C ARG A 68 1.206 -0.175 -7.306 1.00 0.00 C ATOM 938 O ARG A 68 -0.014 -0.232 -7.075 1.00 0.00 O ATOM 939 CB ARG A 68 2.129 -2.493 -7.269 1.00 0.00 C ATOM 940 CG ARG A 68 2.912 -3.565 -6.520 1.00 0.00 C ATOM 941 CD ARG A 68 4.398 -3.228 -6.394 1.00 0.00 C ATOM 942 NE ARG A 68 5.043 -4.010 -5.321 1.00 0.00 N ATOM 943 CZ ARG A 68 5.960 -4.969 -5.489 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.408 -5.262 -6.691 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.460 -5.600 -4.428 1.00 0.00 N ATOM 0 H ARG A 68 0.723 -1.412 -5.099 1.00 0.00 H new ATOM 0 HA ARG A 68 3.170 -0.728 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.094 -2.819 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.536 -2.397 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.486 -3.692 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.802 -4.518 -7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.899 -3.427 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.514 -2.164 -6.190 1.00 0.00 H new ATOM 0 HE ARG A 68 4.764 -3.800 -4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.056 -4.756 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.107 -5.995 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.143 -5.351 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.159 -6.332 -4.553 1.00 0.00 H new ATOM 959 N LYS A 69 1.749 0.684 -8.150 1.00 0.00 N ATOM 960 CA LYS A 69 0.940 1.624 -8.912 1.00 0.00 C ATOM 961 C LYS A 69 0.163 0.884 -9.976 1.00 0.00 C ATOM 962 O LYS A 69 0.614 -0.161 -10.469 1.00 0.00 O ATOM 963 CB LYS A 69 1.789 2.710 -9.607 1.00 0.00 C ATOM 964 CG LYS A 69 2.485 3.729 -8.709 1.00 0.00 C ATOM 965 CD LYS A 69 3.673 3.142 -7.969 1.00 0.00 C ATOM 966 CE LYS A 69 4.523 4.224 -7.334 1.00 0.00 C ATOM 967 NZ LYS A 69 5.065 5.157 -8.347 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.751 0.752 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 69 0.273 2.111 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.551 2.212 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.144 3.253 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.819 4.572 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.769 4.120 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.320 2.456 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.281 2.559 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.926 4.779 -6.610 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.345 3.766 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.916 5.622 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.311 4.629 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.349 5.877 -8.574 1.00 0.00 H new ATOM 981 N LEU A 70 -0.994 1.394 -10.328 1.00 0.00 N ATOM 982 CA LEU A 70 -1.770 0.775 -11.384 1.00 0.00 C ATOM 983 C LEU A 70 -1.229 1.235 -12.727 1.00 0.00 C ATOM 984 O LEU A 70 -1.208 0.471 -13.705 1.00 0.00 O ATOM 985 CB LEU A 70 -3.264 1.130 -11.278 1.00 0.00 C ATOM 986 CG LEU A 70 -3.935 0.907 -9.921 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.421 1.138 -10.008 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.670 -0.466 -9.383 1.00 0.00 C ATOM 0 H LEU A 70 -1.416 2.222 -9.908 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.681 -0.307 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.383 2.180 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.805 0.547 -12.024 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.499 1.632 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.873 0.973 -9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.612 2.163 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.855 0.446 -10.730 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.165 -0.581 -8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.056 -1.210 -10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.596 -0.607 -9.259 1.00 0.00 H new ATOM 1000 N GLY A 71 -0.744 2.469 -12.751 1.00 0.00 N ATOM 1001 CA GLY A 71 -0.213 3.044 -13.952 1.00 0.00 C ATOM 1002 C GLY A 71 1.293 3.094 -13.948 1.00 0.00 C ATOM 1003 O GLY A 71 1.956 2.043 -13.977 1.00 0.00 O ATOM 0 H GLY A 71 -0.713 3.085 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.552 2.464 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.607 4.053 -14.074 1.00 0.00 H new ATOM 1007 N GLY A 72 1.832 4.295 -13.907 1.00 0.00 N ATOM 1008 CA GLY A 72 3.265 4.488 -13.918 1.00 0.00 C ATOM 1009 C GLY A 72 3.905 4.098 -12.607 1.00 0.00 C ATOM 1010 O GLY A 72 3.915 4.881 -11.642 1.00 0.00 O ATOM 0 H GLY A 72 1.292 5.159 -13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 72 3.703 3.898 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.487 5.534 -14.132 1.00 0.00 H new ATOM 1014 N GLY A 73 4.381 2.899 -12.548 1.00 0.00 N ATOM 1015 CA GLY A 73 5.037 2.423 -11.372 1.00 0.00 C ATOM 1016 C GLY A 73 4.715 0.985 -11.098 1.00 0.00 C ATOM 1017 O GLY A 73 4.587 0.567 -9.942 1.00 0.00 O ATOM 0 H GLY A 73 4.328 2.222 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.115 2.539 -11.485 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.739 3.031 -10.518 1.00 0.00 H new ATOM 1021 N SER A 74 4.550 0.236 -12.151 1.00 0.00 N ATOM 1022 CA SER A 74 4.313 -1.158 -12.044 1.00 0.00 C ATOM 1023 C SER A 74 5.677 -1.823 -12.006 1.00 0.00 C ATOM 1024 O SER A 74 6.426 -1.793 -12.983 1.00 0.00 O ATOM 1025 CB SER A 74 3.485 -1.647 -13.245 1.00 0.00 C ATOM 1026 OG SER A 74 3.086 -3.005 -13.094 1.00 0.00 O ATOM 0 H SER A 74 4.578 0.586 -13.109 1.00 0.00 H new ATOM 0 HA SER A 74 3.744 -1.403 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.601 -1.019 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.070 -1.540 -14.158 1.00 0.00 H new ATOM 0 HG SER A 74 2.561 -3.280 -13.874 1.00 0.00 H new ATOM 1032 N SER A 75 6.031 -2.332 -10.878 1.00 0.00 N ATOM 1033 CA SER A 75 7.299 -2.937 -10.670 1.00 0.00 C ATOM 1034 C SER A 75 7.088 -4.173 -9.848 1.00 0.00 C ATOM 1035 O SER A 75 7.820 -5.158 -10.033 1.00 0.00 O ATOM 1036 CB SER A 75 8.246 -1.956 -9.970 1.00 0.00 C ATOM 1037 OG SER A 75 8.443 -0.798 -10.780 1.00 0.00 O ATOM 1038 OXT SER A 75 6.115 -4.193 -9.067 1.00 0.00 O ATOM 0 H SER A 75 5.431 -2.339 -10.053 1.00 0.00 H new ATOM 0 HA SER A 75 7.759 -3.205 -11.621 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.832 -1.667 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.203 -2.440 -9.775 1.00 0.00 H new ATOM 0 HG SER A 75 9.048 -0.178 -10.322 1.00 0.00 H new TER 1044 SER A 75