USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 1 LYS NZ :NH3+ 173:sc=-0.00426 (180deg=-0.0476) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 169:sc= 0.814 (180deg=0.578) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -167:sc=-0.00632 (180deg=-0.19) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=0.000267 USER MOD Single : A 17 GLN : amide:sc= -1.67! C(o=-1.7!,f=-7.7!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 59:sc= 1.21 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.0018) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -26:sc= -0.348! USER MOD Single : A 32 SER OG : rot -77:sc= 1.22 USER MOD Single : A 42 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.017) USER MOD Single : A 49 MET CE :methyl 144:sc= -0.125 (180deg=-0.599) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -162:sc= -0.16 (180deg=-0.663) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 1.26 (180deg=0.856) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.947 K(o=-0.95,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -67.825 -18.034 -2.725 1.00 20.00 N ATOM 2 CA MET A -7 -68.248 -18.523 -1.393 1.00 20.00 C ATOM 3 C MET A -7 -68.478 -20.028 -1.439 1.00 20.00 C ATOM 4 O MET A -7 -67.762 -20.797 -0.799 1.00 20.00 O ATOM 5 CB MET A -7 -69.525 -17.805 -0.933 1.00 20.00 C ATOM 6 CG MET A -7 -69.427 -16.289 -0.993 1.00 20.00 C ATOM 7 SD MET A -7 -68.005 -15.646 -0.090 1.00 20.00 S ATOM 8 CE MET A -7 -68.120 -13.900 -0.465 1.00 20.00 C ATOM 0 H1 MET A -7 -67.461 -17.064 -2.639 1.00 20.00 H new ATOM 0 H2 MET A -7 -67.078 -18.652 -3.101 1.00 20.00 H new ATOM 0 H3 MET A -7 -68.639 -18.042 -3.372 1.00 20.00 H new ATOM 0 HA MET A -7 -67.456 -18.307 -0.676 1.00 20.00 H new ATOM 0 HB2 MET A -7 -70.359 -18.132 -1.554 1.00 20.00 H new ATOM 0 HB3 MET A -7 -69.752 -18.106 0.090 1.00 20.00 H new ATOM 0 HG2 MET A -7 -69.363 -15.974 -2.035 1.00 20.00 H new ATOM 0 HG3 MET A -7 -70.339 -15.854 -0.584 1.00 20.00 H new ATOM 0 HE1 MET A -7 -67.305 -13.368 0.025 1.00 20.00 H new ATOM 0 HE2 MET A -7 -68.052 -13.754 -1.543 1.00 20.00 H new ATOM 0 HE3 MET A -7 -69.074 -13.513 -0.106 1.00 20.00 H new ATOM 20 N ASP A -6 -69.477 -20.447 -2.208 1.00 20.00 N ATOM 21 CA ASP A -6 -69.751 -21.867 -2.394 1.00 20.00 C ATOM 22 C ASP A -6 -68.743 -22.457 -3.365 1.00 20.00 C ATOM 23 O ASP A -6 -67.820 -23.174 -2.967 1.00 20.00 O ATOM 24 CB ASP A -6 -71.174 -22.085 -2.916 1.00 20.00 C ATOM 25 CG ASP A -6 -72.231 -21.595 -1.949 1.00 20.00 C ATOM 26 OD1 ASP A -6 -72.523 -22.309 -0.969 1.00 20.00 O ATOM 27 OD2 ASP A -6 -72.780 -20.494 -2.169 1.00 20.00 O ATOM 0 H ASP A -6 -70.109 -19.825 -2.712 1.00 20.00 H new ATOM 0 HA ASP A -6 -69.663 -22.368 -1.430 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -71.291 -21.568 -3.868 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -71.328 -23.147 -3.109 1.00 20.00 H new ATOM 32 N TYR A -5 -68.916 -22.140 -4.638 1.00 20.00 N ATOM 33 CA TYR A -5 -67.938 -22.502 -5.650 1.00 20.00 C ATOM 34 C TYR A -5 -66.745 -21.565 -5.528 1.00 20.00 C ATOM 35 O TYR A -5 -66.882 -20.439 -5.041 1.00 20.00 O ATOM 36 CB TYR A -5 -68.548 -22.441 -7.058 1.00 20.00 C ATOM 37 CG TYR A -5 -69.113 -21.088 -7.436 1.00 20.00 C ATOM 38 CD1 TYR A -5 -70.389 -20.710 -7.038 1.00 20.00 C ATOM 39 CD2 TYR A -5 -68.368 -20.189 -8.190 1.00 20.00 C ATOM 40 CE1 TYR A -5 -70.906 -19.477 -7.381 1.00 20.00 C ATOM 41 CE2 TYR A -5 -68.879 -18.954 -8.535 1.00 20.00 C ATOM 42 CZ TYR A -5 -70.146 -18.604 -8.128 1.00 20.00 C ATOM 43 OH TYR A -5 -70.657 -17.373 -8.463 1.00 20.00 O ATOM 0 H TYR A -5 -69.725 -21.632 -4.995 1.00 20.00 H new ATOM 0 HA TYR A -5 -67.613 -23.530 -5.491 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -67.784 -22.718 -7.784 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -69.341 -23.185 -7.130 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -70.986 -21.392 -6.451 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -67.373 -20.461 -8.511 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -71.901 -19.198 -7.066 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -68.288 -18.266 -9.121 1.00 20.00 H new ATOM 0 HH TYR A -5 -69.996 -16.877 -8.990 1.00 20.00 H new ATOM 53 N LYS A -4 -65.583 -22.016 -5.953 1.00 20.00 N ATOM 54 CA LYS A -4 -64.358 -21.285 -5.688 1.00 20.00 C ATOM 55 C LYS A -4 -63.505 -21.158 -6.940 1.00 20.00 C ATOM 56 O LYS A -4 -63.613 -21.963 -7.864 1.00 20.00 O ATOM 57 CB LYS A -4 -63.571 -21.998 -4.588 1.00 20.00 C ATOM 58 CG LYS A -4 -64.359 -22.179 -3.298 1.00 20.00 C ATOM 59 CD LYS A -4 -63.591 -22.999 -2.279 1.00 20.00 C ATOM 60 CE LYS A -4 -64.431 -23.275 -1.039 1.00 20.00 C ATOM 61 NZ LYS A -4 -65.647 -24.075 -1.351 1.00 20.00 N ATOM 0 H LYS A -4 -65.459 -22.880 -6.481 1.00 20.00 H new ATOM 0 HA LYS A -4 -64.621 -20.278 -5.362 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -63.257 -22.976 -4.953 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -62.665 -21.431 -4.375 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -64.594 -21.202 -2.876 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -65.308 -22.668 -3.517 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -63.282 -23.943 -2.728 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -62.682 -22.469 -1.994 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -63.827 -23.807 -0.304 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -64.727 -22.329 -0.585 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -66.087 -24.397 -0.466 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -66.323 -23.488 -1.880 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -65.382 -24.900 -1.926 1.00 20.00 H new ATOM 75 N ASP A -3 -62.667 -20.133 -6.959 1.00 20.00 N ATOM 76 CA ASP A -3 -61.728 -19.915 -8.052 1.00 20.00 C ATOM 77 C ASP A -3 -60.332 -20.321 -7.603 1.00 20.00 C ATOM 78 O ASP A -3 -60.154 -20.749 -6.460 1.00 20.00 O ATOM 79 CB ASP A -3 -61.731 -18.441 -8.488 1.00 20.00 C ATOM 80 CG ASP A -3 -62.961 -18.058 -9.291 1.00 20.00 C ATOM 81 OD1 ASP A -3 -64.044 -17.887 -8.693 1.00 20.00 O ATOM 82 OD2 ASP A -3 -62.849 -17.918 -10.529 1.00 20.00 O ATOM 0 H ASP A -3 -62.617 -19.431 -6.221 1.00 20.00 H new ATOM 0 HA ASP A -3 -62.032 -20.522 -8.905 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -61.670 -17.807 -7.603 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -60.840 -18.243 -9.084 1.00 20.00 H new ATOM 87 N ASP A -2 -59.346 -20.213 -8.488 1.00 20.00 N ATOM 88 CA ASP A -2 -57.961 -20.472 -8.097 1.00 20.00 C ATOM 89 C ASP A -2 -57.558 -19.493 -7.011 1.00 20.00 C ATOM 90 O ASP A -2 -57.122 -19.883 -5.928 1.00 20.00 O ATOM 91 CB ASP A -2 -57.004 -20.344 -9.286 1.00 20.00 C ATOM 92 CG ASP A -2 -57.229 -21.405 -10.339 1.00 20.00 C ATOM 93 OD1 ASP A -2 -57.046 -22.601 -10.036 1.00 20.00 O ATOM 94 OD2 ASP A -2 -57.593 -21.046 -11.482 1.00 20.00 O ATOM 0 H ASP A -2 -59.474 -19.952 -9.466 1.00 20.00 H new ATOM 0 HA ASP A -2 -57.897 -21.495 -7.727 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -57.124 -19.359 -9.738 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -55.977 -20.407 -8.927 1.00 20.00 H new ATOM 99 N ASP A -1 -57.727 -18.218 -7.314 1.00 20.00 N ATOM 100 CA ASP A -1 -57.534 -17.161 -6.337 1.00 20.00 C ATOM 101 C ASP A -1 -58.854 -16.449 -6.105 1.00 20.00 C ATOM 102 O ASP A -1 -59.278 -15.622 -6.913 1.00 20.00 O ATOM 103 CB ASP A -1 -56.474 -16.158 -6.801 1.00 20.00 C ATOM 104 CG ASP A -1 -55.080 -16.749 -6.826 1.00 20.00 C ATOM 105 OD1 ASP A -1 -54.466 -16.889 -5.745 1.00 20.00 O ATOM 106 OD2 ASP A -1 -54.583 -17.065 -7.927 1.00 20.00 O ATOM 0 H ASP A -1 -58.000 -17.887 -8.239 1.00 20.00 H new ATOM 0 HA ASP A -1 -57.183 -17.609 -5.407 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -56.730 -15.800 -7.798 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -56.485 -15.292 -6.139 1.00 20.00 H new ATOM 111 N ASP A 0 -59.510 -16.782 -5.005 1.00 20.00 N ATOM 112 CA ASP A 0 -60.821 -16.227 -4.694 1.00 20.00 C ATOM 113 C ASP A 0 -60.719 -14.751 -4.347 1.00 20.00 C ATOM 114 O ASP A 0 -61.663 -13.989 -4.547 1.00 20.00 O ATOM 115 CB ASP A 0 -61.480 -16.993 -3.543 1.00 20.00 C ATOM 116 CG ASP A 0 -61.918 -18.386 -3.945 1.00 20.00 C ATOM 117 OD1 ASP A 0 -62.902 -18.503 -4.706 1.00 20.00 O ATOM 118 OD2 ASP A 0 -61.286 -19.369 -3.496 1.00 20.00 O ATOM 0 H ASP A 0 -59.155 -17.437 -4.308 1.00 20.00 H new ATOM 0 HA ASP A 0 -61.443 -16.332 -5.583 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -60.780 -17.062 -2.710 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -62.345 -16.433 -3.187 1.00 20.00 H new ATOM 123 N LYS A 1 -59.568 -14.352 -3.834 1.00 20.00 N ATOM 124 CA LYS A 1 -59.334 -12.957 -3.493 1.00 20.00 C ATOM 125 C LYS A 1 -58.680 -12.233 -4.663 1.00 20.00 C ATOM 126 O LYS A 1 -58.604 -11.004 -4.674 1.00 20.00 O ATOM 127 CB LYS A 1 -58.464 -12.846 -2.236 1.00 20.00 C ATOM 128 CG LYS A 1 -59.090 -13.477 -0.998 1.00 20.00 C ATOM 129 CD LYS A 1 -60.399 -12.798 -0.622 1.00 20.00 C ATOM 130 CE LYS A 1 -61.096 -13.513 0.526 1.00 20.00 C ATOM 131 NZ LYS A 1 -60.279 -13.518 1.767 1.00 20.00 N ATOM 0 H LYS A 1 -58.781 -14.972 -3.644 1.00 20.00 H new ATOM 0 HA LYS A 1 -60.294 -12.485 -3.284 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -57.502 -13.321 -2.428 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -58.265 -11.793 -2.035 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -59.269 -14.537 -1.180 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -58.392 -13.410 -0.163 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -60.204 -11.763 -0.341 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -61.059 -12.774 -1.489 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -62.052 -13.029 0.725 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -61.313 -14.540 0.233 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -60.840 -13.909 2.550 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -59.431 -14.103 1.622 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -59.993 -12.545 1.998 1.00 20.00 H new ATOM 145 N ASN A 2 -58.210 -13.019 -5.640 1.00 20.00 N ATOM 146 CA ASN A 2 -57.594 -12.508 -6.875 1.00 20.00 C ATOM 147 C ASN A 2 -56.232 -11.860 -6.620 1.00 20.00 C ATOM 148 O ASN A 2 -55.228 -12.252 -7.213 1.00 20.00 O ATOM 149 CB ASN A 2 -58.522 -11.512 -7.585 1.00 20.00 C ATOM 150 CG ASN A 2 -57.940 -10.986 -8.888 1.00 20.00 C ATOM 151 OD1 ASN A 2 -57.219 -9.988 -8.905 1.00 20.00 O ATOM 152 ND2 ASN A 2 -58.259 -11.645 -9.992 1.00 20.00 N ATOM 0 H ASN A 2 -58.246 -14.037 -5.597 1.00 20.00 H new ATOM 0 HA ASN A 2 -57.436 -13.371 -7.522 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -59.478 -11.995 -7.789 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -58.725 -10.673 -6.919 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -57.904 -11.329 -10.895 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -58.859 -12.468 -9.939 1.00 20.00 H new ATOM 159 N ARG A 3 -56.202 -10.883 -5.731 1.00 20.00 N ATOM 160 CA ARG A 3 -55.000 -10.103 -5.480 1.00 20.00 C ATOM 161 C ARG A 3 -54.149 -10.743 -4.388 1.00 20.00 C ATOM 162 O ARG A 3 -54.668 -11.432 -3.505 1.00 20.00 O ATOM 163 CB ARG A 3 -55.376 -8.675 -5.073 1.00 20.00 C ATOM 164 CG ARG A 3 -56.199 -7.933 -6.116 1.00 20.00 C ATOM 165 CD ARG A 3 -56.540 -6.528 -5.652 1.00 20.00 C ATOM 166 NE ARG A 3 -57.427 -5.836 -6.584 1.00 20.00 N ATOM 167 CZ ARG A 3 -57.898 -4.604 -6.387 1.00 20.00 C ATOM 168 NH1 ARG A 3 -57.538 -3.919 -5.307 1.00 20.00 N ATOM 169 NH2 ARG A 3 -58.719 -4.055 -7.274 1.00 20.00 N ATOM 0 H ARG A 3 -57.005 -10.608 -5.165 1.00 20.00 H new ATOM 0 HA ARG A 3 -54.416 -10.076 -6.400 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -55.937 -8.710 -4.139 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -54.464 -8.112 -4.876 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -55.644 -7.884 -7.053 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -57.117 -8.485 -6.318 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -57.014 -6.577 -4.671 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -55.621 -5.954 -5.534 1.00 20.00 H new ATOM 0 HE ARG A 3 -57.702 -6.324 -7.436 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -56.901 -4.335 -4.628 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -57.899 -2.977 -5.157 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -58.991 -4.576 -8.108 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -59.078 -3.113 -7.122 1.00 20.00 H new ATOM 183 N ALA A 4 -52.846 -10.515 -4.459 1.00 20.00 N ATOM 184 CA ALA A 4 -51.918 -11.020 -3.461 1.00 20.00 C ATOM 185 C ALA A 4 -51.150 -9.863 -2.831 1.00 20.00 C ATOM 186 O ALA A 4 -51.193 -8.737 -3.336 1.00 20.00 O ATOM 187 CB ALA A 4 -50.963 -12.022 -4.089 1.00 20.00 C ATOM 0 H ALA A 4 -52.405 -9.978 -5.206 1.00 20.00 H new ATOM 0 HA ALA A 4 -52.480 -11.529 -2.678 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -50.273 -12.392 -3.330 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -51.530 -12.856 -4.502 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -50.399 -11.537 -4.886 1.00 20.00 H new ATOM 193 N LEU A 5 -50.460 -10.132 -1.733 1.00 20.00 N ATOM 194 CA LEU A 5 -49.732 -9.095 -1.018 1.00 20.00 C ATOM 195 C LEU A 5 -48.269 -9.481 -0.841 1.00 20.00 C ATOM 196 O LEU A 5 -47.953 -10.443 -0.137 1.00 20.00 O ATOM 197 CB LEU A 5 -50.372 -8.850 0.354 1.00 20.00 C ATOM 198 CG LEU A 5 -51.849 -8.436 0.331 1.00 20.00 C ATOM 199 CD1 LEU A 5 -52.402 -8.368 1.746 1.00 20.00 C ATOM 200 CD2 LEU A 5 -52.028 -7.096 -0.368 1.00 20.00 C ATOM 0 H LEU A 5 -50.389 -11.061 -1.317 1.00 20.00 H new ATOM 0 HA LEU A 5 -49.780 -8.179 -1.608 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -50.277 -9.760 0.947 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -49.804 -8.074 0.867 1.00 20.00 H new ATOM 0 HG LEU A 5 -52.403 -9.190 -0.228 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -53.451 -8.073 1.713 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -52.315 -9.347 2.218 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -51.837 -7.636 2.323 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -53.084 -6.825 -0.371 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -51.459 -6.331 0.160 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -51.670 -7.171 -1.395 1.00 20.00 H new ATOM 212 N SER A 6 -47.381 -8.737 -1.486 1.00 20.00 N ATOM 213 CA SER A 6 -45.953 -8.964 -1.342 1.00 20.00 C ATOM 214 C SER A 6 -45.459 -8.381 -0.019 1.00 20.00 C ATOM 215 O SER A 6 -45.834 -7.267 0.355 1.00 20.00 O ATOM 216 CB SER A 6 -45.194 -8.338 -2.514 1.00 20.00 C ATOM 217 OG SER A 6 -45.642 -8.864 -3.752 1.00 20.00 O ATOM 0 H SER A 6 -47.626 -7.971 -2.114 1.00 20.00 H new ATOM 0 HA SER A 6 -45.768 -10.038 -1.343 1.00 20.00 H new ATOM 0 HB2 SER A 6 -45.331 -7.257 -2.504 1.00 20.00 H new ATOM 0 HB3 SER A 6 -44.126 -8.525 -2.401 1.00 20.00 H new ATOM 0 HG SER A 6 -45.143 -8.447 -4.485 1.00 20.00 H new ATOM 223 N PRO A 7 -44.643 -9.138 0.725 1.00 20.00 N ATOM 224 CA PRO A 7 -44.101 -8.685 2.006 1.00 20.00 C ATOM 225 C PRO A 7 -42.934 -7.712 1.836 1.00 20.00 C ATOM 226 O PRO A 7 -42.038 -7.940 1.018 1.00 20.00 O ATOM 227 CB PRO A 7 -43.632 -9.984 2.662 1.00 20.00 C ATOM 228 CG PRO A 7 -43.287 -10.883 1.524 1.00 20.00 C ATOM 229 CD PRO A 7 -44.194 -10.502 0.382 1.00 20.00 C ATOM 0 HA PRO A 7 -44.837 -8.135 2.593 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -42.770 -9.813 3.306 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -44.414 -10.417 3.285 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -42.240 -10.767 1.242 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -43.429 -11.928 1.799 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -43.666 -10.521 -0.571 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -45.035 -11.189 0.294 1.00 20.00 H new ATOM 237 N MET A 8 -42.965 -6.630 2.612 1.00 20.00 N ATOM 238 CA MET A 8 -41.914 -5.613 2.599 1.00 20.00 C ATOM 239 C MET A 8 -41.733 -5.017 1.205 1.00 20.00 C ATOM 240 O MET A 8 -40.690 -5.183 0.571 1.00 20.00 O ATOM 241 CB MET A 8 -40.589 -6.194 3.108 1.00 20.00 C ATOM 242 CG MET A 8 -39.498 -5.150 3.297 1.00 20.00 C ATOM 243 SD MET A 8 -37.944 -5.859 3.873 1.00 20.00 S ATOM 244 CE MET A 8 -36.915 -4.392 3.942 1.00 20.00 C ATOM 0 H MET A 8 -43.720 -6.433 3.269 1.00 20.00 H new ATOM 0 HA MET A 8 -42.223 -4.811 3.270 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.765 -6.700 4.058 1.00 20.00 H new ATOM 0 HB3 MET A 8 -40.239 -6.950 2.404 1.00 20.00 H new ATOM 0 HG2 MET A 8 -39.328 -4.634 2.352 1.00 20.00 H new ATOM 0 HG3 MET A 8 -39.838 -4.402 4.013 1.00 20.00 H new ATOM 0 HE1 MET A 8 -35.916 -4.664 4.283 1.00 20.00 H new ATOM 0 HE2 MET A 8 -36.851 -3.945 2.950 1.00 20.00 H new ATOM 0 HE3 MET A 8 -37.352 -3.674 4.636 1.00 20.00 H new ATOM 254 N VAL A 9 -42.759 -4.333 0.721 1.00 20.00 N ATOM 255 CA VAL A 9 -42.677 -3.649 -0.560 1.00 20.00 C ATOM 256 C VAL A 9 -43.262 -2.246 -0.453 1.00 20.00 C ATOM 257 O VAL A 9 -44.349 -2.056 0.099 1.00 20.00 O ATOM 258 CB VAL A 9 -43.389 -4.424 -1.698 1.00 20.00 C ATOM 259 CG1 VAL A 9 -42.684 -5.745 -1.974 1.00 20.00 C ATOM 260 CG2 VAL A 9 -44.858 -4.663 -1.376 1.00 20.00 C ATOM 0 H VAL A 9 -43.657 -4.237 1.196 1.00 20.00 H new ATOM 0 HA VAL A 9 -41.619 -3.591 -0.815 1.00 20.00 H new ATOM 0 HB VAL A 9 -43.339 -3.808 -2.596 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -43.200 -6.272 -2.776 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -41.653 -5.552 -2.271 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -42.693 -6.358 -1.072 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -45.326 -5.209 -2.195 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -44.939 -5.246 -0.459 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -45.362 -3.706 -1.243 1.00 20.00 H new ATOM 270 N SER A 10 -42.515 -1.269 -0.955 1.00 20.00 N ATOM 271 CA SER A 10 -42.946 0.124 -0.954 1.00 20.00 C ATOM 272 C SER A 10 -43.109 0.639 0.475 1.00 20.00 C ATOM 273 O SER A 10 -44.083 1.322 0.807 1.00 20.00 O ATOM 274 CB SER A 10 -44.249 0.271 -1.741 1.00 20.00 C ATOM 275 OG SER A 10 -44.121 -0.302 -3.035 1.00 20.00 O ATOM 0 H SER A 10 -41.597 -1.419 -1.373 1.00 20.00 H new ATOM 0 HA SER A 10 -42.179 0.728 -1.440 1.00 20.00 H new ATOM 0 HB2 SER A 10 -45.062 -0.214 -1.202 1.00 20.00 H new ATOM 0 HB3 SER A 10 -44.510 1.326 -1.829 1.00 20.00 H new ATOM 0 HG SER A 10 -44.965 -0.200 -3.523 1.00 20.00 H new ATOM 281 N GLU A 11 -42.144 0.301 1.316 1.00 20.00 N ATOM 282 CA GLU A 11 -42.128 0.767 2.695 1.00 20.00 C ATOM 283 C GLU A 11 -41.023 1.805 2.854 1.00 20.00 C ATOM 284 O GLU A 11 -40.465 2.261 1.851 1.00 20.00 O ATOM 285 CB GLU A 11 -41.915 -0.405 3.662 1.00 20.00 C ATOM 286 CG GLU A 11 -42.944 -1.516 3.515 1.00 20.00 C ATOM 287 CD GLU A 11 -42.845 -2.557 4.611 1.00 20.00 C ATOM 288 OE1 GLU A 11 -41.769 -3.167 4.769 1.00 20.00 O ATOM 289 OE2 GLU A 11 -43.847 -2.762 5.331 1.00 20.00 O ATOM 0 H GLU A 11 -41.357 -0.298 1.066 1.00 20.00 H new ATOM 0 HA GLU A 11 -43.089 1.221 2.935 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -40.920 -0.820 3.502 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -41.943 -0.030 4.685 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -43.944 -1.082 3.522 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -42.813 -2.000 2.547 1.00 20.00 H new ATOM 296 N PHE A 12 -40.716 2.196 4.089 1.00 20.00 N ATOM 297 CA PHE A 12 -39.631 3.142 4.323 1.00 20.00 C ATOM 298 C PHE A 12 -38.327 2.607 3.735 1.00 20.00 C ATOM 299 O PHE A 12 -37.594 3.345 3.078 1.00 20.00 O ATOM 300 CB PHE A 12 -39.475 3.471 5.819 1.00 20.00 C ATOM 301 CG PHE A 12 -39.192 2.291 6.721 1.00 20.00 C ATOM 302 CD1 PHE A 12 -40.229 1.569 7.291 1.00 20.00 C ATOM 303 CD2 PHE A 12 -37.887 1.919 7.011 1.00 20.00 C ATOM 304 CE1 PHE A 12 -39.970 0.499 8.126 1.00 20.00 C ATOM 305 CE2 PHE A 12 -37.624 0.851 7.847 1.00 20.00 C ATOM 306 CZ PHE A 12 -38.666 0.140 8.404 1.00 20.00 C ATOM 0 H PHE A 12 -41.196 1.877 4.931 1.00 20.00 H new ATOM 0 HA PHE A 12 -39.882 4.074 3.817 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -38.667 4.194 5.931 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -40.388 3.958 6.163 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -41.251 1.846 7.080 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -37.066 2.471 6.578 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -40.788 -0.057 8.561 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -36.603 0.573 8.064 1.00 20.00 H new ATOM 0 HZ PHE A 12 -38.463 -0.696 9.057 1.00 20.00 H new ATOM 316 N GLU A 13 -38.070 1.317 3.970 1.00 20.00 N ATOM 317 CA GLU A 13 -36.947 0.596 3.360 1.00 20.00 C ATOM 318 C GLU A 13 -35.665 1.425 3.342 1.00 20.00 C ATOM 319 O GLU A 13 -35.059 1.643 2.294 1.00 20.00 O ATOM 320 CB GLU A 13 -37.324 0.144 1.945 1.00 20.00 C ATOM 321 CG GLU A 13 -38.429 -0.903 1.924 1.00 20.00 C ATOM 322 CD GLU A 13 -38.822 -1.324 0.525 1.00 20.00 C ATOM 323 OE1 GLU A 13 -38.115 -2.165 -0.071 1.00 20.00 O ATOM 324 OE2 GLU A 13 -39.841 -0.817 0.012 1.00 20.00 O ATOM 0 H GLU A 13 -38.637 0.740 4.591 1.00 20.00 H new ATOM 0 HA GLU A 13 -36.744 -0.280 3.976 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -37.643 1.011 1.367 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -36.440 -0.260 1.452 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -38.101 -1.780 2.482 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -39.305 -0.508 2.438 1.00 20.00 H new ATOM 331 N THR A 14 -35.260 1.890 4.510 1.00 20.00 N ATOM 332 CA THR A 14 -34.040 2.668 4.639 1.00 20.00 C ATOM 333 C THR A 14 -32.892 1.775 5.078 1.00 20.00 C ATOM 334 O THR A 14 -32.015 2.187 5.838 1.00 20.00 O ATOM 335 CB THR A 14 -34.224 3.812 5.650 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.808 3.302 6.858 1.00 20.00 O ATOM 337 CG2 THR A 14 -35.105 4.908 5.076 1.00 20.00 C ATOM 0 H THR A 14 -35.760 1.742 5.387 1.00 20.00 H new ATOM 0 HA THR A 14 -33.808 3.099 3.665 1.00 20.00 H new ATOM 0 HB THR A 14 -33.245 4.238 5.869 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.922 4.033 7.500 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.219 5.705 5.811 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.644 5.310 4.173 1.00 20.00 H new ATOM 0 HG23 THR A 14 -36.084 4.497 4.831 1.00 20.00 H new ATOM 345 N ILE A 15 -32.913 0.543 4.603 1.00 20.00 N ATOM 346 CA ILE A 15 -31.924 -0.444 4.987 1.00 20.00 C ATOM 347 C ILE A 15 -31.320 -1.059 3.730 1.00 20.00 C ATOM 348 O ILE A 15 -30.861 -2.196 3.732 1.00 20.00 O ATOM 349 CB ILE A 15 -32.558 -1.552 5.864 1.00 20.00 C ATOM 350 CG1 ILE A 15 -33.554 -0.944 6.858 1.00 20.00 C ATOM 351 CG2 ILE A 15 -31.482 -2.328 6.613 1.00 20.00 C ATOM 352 CD1 ILE A 15 -34.316 -1.967 7.667 1.00 20.00 C ATOM 0 H ILE A 15 -33.612 0.201 3.944 1.00 20.00 H new ATOM 0 HA ILE A 15 -31.146 0.046 5.573 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.090 -2.241 5.208 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -33.016 -0.285 7.539 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -34.265 -0.325 6.311 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -31.949 -3.101 7.223 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.803 -2.791 5.897 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.923 -1.647 7.255 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -35.000 -1.458 8.346 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -34.884 -2.612 6.996 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.615 -2.571 8.243 1.00 20.00 H new ATOM 364 N GLU A 16 -31.313 -0.276 2.662 1.00 20.00 N ATOM 365 CA GLU A 16 -30.899 -0.758 1.350 1.00 20.00 C ATOM 366 C GLU A 16 -29.483 -1.324 1.384 1.00 20.00 C ATOM 367 O GLU A 16 -29.266 -2.498 1.087 1.00 20.00 O ATOM 368 CB GLU A 16 -30.981 0.373 0.322 1.00 20.00 C ATOM 369 CG GLU A 16 -32.396 0.864 0.061 1.00 20.00 C ATOM 370 CD GLU A 16 -33.279 -0.210 -0.534 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.987 -0.662 -1.661 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.264 -0.610 0.119 1.00 20.00 O ATOM 0 H GLU A 16 -31.592 0.705 2.678 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.578 -1.561 1.062 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.374 1.210 0.667 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.546 0.030 -0.617 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.834 1.214 0.996 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.362 1.718 -0.615 1.00 20.00 H new ATOM 379 N GLN A 17 -28.529 -0.494 1.775 1.00 20.00 N ATOM 380 CA GLN A 17 -27.130 -0.891 1.779 1.00 20.00 C ATOM 381 C GLN A 17 -26.866 -1.943 2.853 1.00 20.00 C ATOM 382 O GLN A 17 -26.136 -2.906 2.626 1.00 20.00 O ATOM 383 CB GLN A 17 -26.205 0.328 1.975 1.00 20.00 C ATOM 384 CG GLN A 17 -26.293 0.994 3.347 1.00 20.00 C ATOM 385 CD GLN A 17 -27.636 1.643 3.623 1.00 20.00 C ATOM 386 OE1 GLN A 17 -28.546 1.006 4.158 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.770 2.910 3.271 1.00 20.00 N ATOM 0 H GLN A 17 -28.698 0.460 2.094 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.907 -1.330 0.807 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.175 0.014 1.806 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.441 1.070 1.212 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.094 0.248 4.117 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.511 1.749 3.426 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.993 3.402 2.831 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.651 3.396 3.440 1.00 20.00 H new ATOM 396 N GLU A 18 -27.499 -1.783 4.008 1.00 20.00 N ATOM 397 CA GLU A 18 -27.256 -2.671 5.134 1.00 20.00 C ATOM 398 C GLU A 18 -27.832 -4.058 4.874 1.00 20.00 C ATOM 399 O GLU A 18 -27.202 -5.068 5.185 1.00 20.00 O ATOM 400 CB GLU A 18 -27.834 -2.079 6.426 1.00 20.00 C ATOM 401 CG GLU A 18 -27.179 -0.770 6.847 1.00 20.00 C ATOM 402 CD GLU A 18 -27.716 -0.241 8.159 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.322 -0.764 9.222 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.525 0.709 8.136 1.00 20.00 O ATOM 0 H GLU A 18 -28.183 -1.048 4.188 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.177 -2.772 5.254 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.903 -1.914 6.293 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.722 -2.806 7.230 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.103 -0.919 6.934 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.336 -0.024 6.068 1.00 20.00 H new ATOM 411 N ASN A 19 -29.015 -4.114 4.279 1.00 20.00 N ATOM 412 CA ASN A 19 -29.651 -5.393 3.980 1.00 20.00 C ATOM 413 C ASN A 19 -28.905 -6.106 2.857 1.00 20.00 C ATOM 414 O ASN A 19 -28.882 -7.335 2.803 1.00 20.00 O ATOM 415 CB ASN A 19 -31.129 -5.197 3.615 1.00 20.00 C ATOM 416 CG ASN A 19 -31.860 -6.507 3.372 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.997 -6.955 2.234 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.328 -7.135 4.440 1.00 20.00 N ATOM 0 H ASN A 19 -29.553 -3.295 3.994 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.607 -6.016 4.873 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.627 -4.653 4.418 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.198 -4.578 2.721 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.821 -8.021 4.335 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.195 -6.732 5.368 1.00 20.00 H new ATOM 425 N SER A 20 -28.262 -5.333 1.985 1.00 20.00 N ATOM 426 CA SER A 20 -27.479 -5.903 0.892 1.00 20.00 C ATOM 427 C SER A 20 -26.287 -6.688 1.437 1.00 20.00 C ATOM 428 O SER A 20 -25.952 -7.761 0.935 1.00 20.00 O ATOM 429 CB SER A 20 -27.003 -4.801 -0.061 1.00 20.00 C ATOM 430 OG SER A 20 -28.104 -4.103 -0.620 1.00 20.00 O ATOM 0 H SER A 20 -28.268 -4.313 2.014 1.00 20.00 H new ATOM 0 HA SER A 20 -28.118 -6.589 0.335 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.360 -4.103 0.476 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.402 -5.239 -0.858 1.00 20.00 H new ATOM 0 HG SER A 20 -28.642 -3.712 0.099 1.00 20.00 H new ATOM 436 N TYR A 21 -25.661 -6.161 2.479 1.00 20.00 N ATOM 437 CA TYR A 21 -24.553 -6.849 3.126 1.00 20.00 C ATOM 438 C TYR A 21 -25.071 -7.948 4.041 1.00 20.00 C ATOM 439 O TYR A 21 -24.369 -8.918 4.320 1.00 20.00 O ATOM 440 CB TYR A 21 -23.693 -5.865 3.921 1.00 20.00 C ATOM 441 CG TYR A 21 -22.809 -4.998 3.053 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.303 -3.849 2.448 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.476 -5.327 2.845 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.496 -3.056 1.658 1.00 20.00 C ATOM 445 CE2 TYR A 21 -20.663 -4.539 2.056 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.178 -3.406 1.466 1.00 20.00 C ATOM 447 OH TYR A 21 -20.369 -2.611 0.686 1.00 20.00 O ATOM 0 H TYR A 21 -25.901 -5.261 2.894 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.935 -7.300 2.350 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.344 -5.225 4.517 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.069 -6.422 4.619 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.336 -3.572 2.599 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.069 -6.214 3.308 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -22.895 -2.167 1.193 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -19.629 -4.809 1.902 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.468 -2.995 0.651 1.00 20.00 H new ATOM 457 N ASN A 22 -26.307 -7.795 4.494 1.00 20.00 N ATOM 458 CA ASN A 22 -26.926 -8.771 5.382 1.00 20.00 C ATOM 459 C ASN A 22 -27.280 -10.042 4.613 1.00 20.00 C ATOM 460 O ASN A 22 -26.955 -11.149 5.047 1.00 20.00 O ATOM 461 CB ASN A 22 -28.174 -8.173 6.043 1.00 20.00 C ATOM 462 CG ASN A 22 -28.797 -9.087 7.084 1.00 20.00 C ATOM 463 OD1 ASN A 22 -30.013 -9.086 7.273 1.00 20.00 O ATOM 464 ND2 ASN A 22 -27.974 -9.852 7.790 1.00 20.00 N ATOM 0 H ASN A 22 -26.904 -7.001 4.261 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.213 -9.032 6.165 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.910 -7.226 6.513 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.914 -7.952 5.274 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.344 -10.465 8.516 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.971 -9.827 7.606 1.00 20.00 H new ATOM 471 N GLU A 23 -27.925 -9.877 3.458 1.00 20.00 N ATOM 472 CA GLU A 23 -28.269 -11.012 2.605 1.00 20.00 C ATOM 473 C GLU A 23 -27.004 -11.732 2.144 1.00 20.00 C ATOM 474 O GLU A 23 -26.944 -12.963 2.124 1.00 20.00 O ATOM 475 CB GLU A 23 -29.093 -10.563 1.387 1.00 20.00 C ATOM 476 CG GLU A 23 -28.369 -9.580 0.473 1.00 20.00 C ATOM 477 CD GLU A 23 -29.091 -9.334 -0.833 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.943 -8.422 -0.892 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.805 -10.046 -1.817 1.00 20.00 O ATOM 0 H GLU A 23 -28.219 -8.971 3.093 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.877 -11.700 3.192 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.373 -11.443 0.807 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -30.018 -10.104 1.737 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.246 -8.632 0.996 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.369 -9.960 0.262 1.00 20.00 H new ATOM 486 N TRP A 24 -25.989 -10.948 1.797 1.00 20.00 N ATOM 487 CA TRP A 24 -24.719 -11.484 1.336 1.00 20.00 C ATOM 488 C TRP A 24 -24.025 -12.257 2.451 1.00 20.00 C ATOM 489 O TRP A 24 -23.419 -13.300 2.212 1.00 20.00 O ATOM 490 CB TRP A 24 -23.829 -10.345 0.828 1.00 20.00 C ATOM 491 CG TRP A 24 -22.529 -10.804 0.245 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.278 -10.534 0.720 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.349 -11.613 -0.925 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.333 -11.117 -0.086 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.964 -11.788 -1.100 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.224 -12.204 -1.840 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.435 -12.530 -2.153 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.697 -12.942 -2.883 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.314 -13.099 -3.032 1.00 20.00 C ATOM 0 H TRP A 24 -26.025 -9.929 1.828 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.905 -12.176 0.515 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.375 -9.780 0.073 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.625 -9.661 1.652 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.064 -9.947 1.601 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.323 -11.060 0.048 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.292 -12.086 -1.734 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.368 -12.652 -2.271 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.364 -13.405 -3.595 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.934 -13.681 -3.858 1.00 20.00 H new ATOM 510 N LEU A 25 -24.141 -11.757 3.676 1.00 20.00 N ATOM 511 CA LEU A 25 -23.538 -12.417 4.822 1.00 20.00 C ATOM 512 C LEU A 25 -24.216 -13.756 5.073 1.00 20.00 C ATOM 513 O LEU A 25 -23.553 -14.748 5.363 1.00 20.00 O ATOM 514 CB LEU A 25 -23.629 -11.531 6.067 1.00 20.00 C ATOM 515 CG LEU A 25 -22.896 -12.060 7.306 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.425 -12.310 7.000 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.035 -11.080 8.459 1.00 20.00 C ATOM 0 H LEU A 25 -24.646 -10.899 3.898 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.484 -12.592 4.605 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.229 -10.547 5.822 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.681 -11.394 6.319 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.351 -13.008 7.593 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.926 -12.685 7.894 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.340 -13.046 6.201 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.955 -11.378 6.686 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.510 -11.468 9.332 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.605 -10.120 8.174 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.090 -10.948 8.699 1.00 20.00 H new ATOM 529 N ARG A 26 -25.539 -13.779 4.935 1.00 20.00 N ATOM 530 CA ARG A 26 -26.303 -15.011 5.089 1.00 20.00 C ATOM 531 C ARG A 26 -25.843 -16.057 4.080 1.00 20.00 C ATOM 532 O ARG A 26 -25.669 -17.226 4.418 1.00 20.00 O ATOM 533 CB ARG A 26 -27.802 -14.749 4.914 1.00 20.00 C ATOM 534 CG ARG A 26 -28.419 -13.892 6.007 1.00 20.00 C ATOM 535 CD ARG A 26 -28.293 -14.545 7.374 1.00 20.00 C ATOM 536 NE ARG A 26 -29.062 -13.830 8.387 1.00 20.00 N ATOM 537 CZ ARG A 26 -29.072 -14.146 9.680 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.325 -15.145 10.133 1.00 20.00 N ATOM 539 NH2 ARG A 26 -29.834 -13.461 10.523 1.00 20.00 N ATOM 0 H ARG A 26 -26.103 -12.958 4.717 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.128 -15.388 6.097 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.964 -14.263 3.952 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.324 -15.705 4.880 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.932 -12.917 6.023 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.471 -13.718 5.782 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.638 -15.578 7.317 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.244 -14.575 7.668 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.628 -13.037 8.085 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.738 -15.676 9.489 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.337 -15.382 11.125 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.411 -12.693 10.180 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -29.843 -13.702 11.514 1.00 20.00 H new ATOM 553 N ALA A 27 -25.624 -15.619 2.846 1.00 20.00 N ATOM 554 CA ALA A 27 -25.166 -16.505 1.783 1.00 20.00 C ATOM 555 C ALA A 27 -23.789 -17.074 2.104 1.00 20.00 C ATOM 556 O ALA A 27 -23.485 -18.220 1.781 1.00 20.00 O ATOM 557 CB ALA A 27 -25.132 -15.762 0.459 1.00 20.00 C ATOM 0 H ALA A 27 -25.757 -14.650 2.556 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.868 -17.335 1.705 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.788 -16.435 -0.327 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.132 -15.403 0.217 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.451 -14.914 0.535 1.00 20.00 H new ATOM 563 N LYS A 28 -22.969 -16.265 2.758 1.00 20.00 N ATOM 564 CA LYS A 28 -21.615 -16.667 3.109 1.00 20.00 C ATOM 565 C LYS A 28 -21.607 -17.589 4.324 1.00 20.00 C ATOM 566 O LYS A 28 -21.025 -18.671 4.288 1.00 20.00 O ATOM 567 CB LYS A 28 -20.747 -15.438 3.399 1.00 20.00 C ATOM 568 CG LYS A 28 -20.488 -14.555 2.187 1.00 20.00 C ATOM 569 CD LYS A 28 -19.768 -13.271 2.578 1.00 20.00 C ATOM 570 CE LYS A 28 -18.448 -13.550 3.288 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.752 -12.295 3.674 1.00 20.00 N ATOM 0 H LYS A 28 -23.219 -15.323 3.057 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.205 -17.209 2.257 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.230 -14.841 4.173 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.791 -15.770 3.803 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.890 -15.102 1.458 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.434 -14.311 1.704 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.580 -12.674 1.685 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.411 -12.678 3.228 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.634 -14.151 4.178 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.802 -14.138 2.636 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.859 -12.527 4.154 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.552 -11.733 2.822 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.358 -11.746 4.316 1.00 20.00 H new ATOM 585 N VAL A 29 -22.265 -17.162 5.395 1.00 20.00 N ATOM 586 CA VAL A 29 -22.182 -17.870 6.664 1.00 20.00 C ATOM 587 C VAL A 29 -23.054 -19.126 6.679 1.00 20.00 C ATOM 588 O VAL A 29 -22.693 -20.131 7.292 1.00 20.00 O ATOM 589 CB VAL A 29 -22.546 -16.949 7.856 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.018 -16.564 7.848 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.165 -17.601 9.173 1.00 20.00 C ATOM 0 H VAL A 29 -22.859 -16.333 5.409 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.144 -18.182 6.776 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.971 -16.029 7.745 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -24.230 -15.918 8.700 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.250 -16.034 6.924 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.630 -17.464 7.914 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.429 -16.938 9.997 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -22.701 -18.544 9.280 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -21.092 -17.789 9.189 1.00 20.00 H new ATOM 601 N ALA A 30 -24.183 -19.082 5.988 1.00 20.00 N ATOM 602 CA ALA A 30 -25.115 -20.201 6.002 1.00 20.00 C ATOM 603 C ALA A 30 -24.967 -21.066 4.760 1.00 20.00 C ATOM 604 O ALA A 30 -25.328 -22.240 4.781 1.00 20.00 O ATOM 605 CB ALA A 30 -26.546 -19.705 6.138 1.00 20.00 C ATOM 0 H ALA A 30 -24.475 -18.291 5.415 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.876 -20.819 6.868 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.227 -20.556 6.146 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.651 -19.147 7.069 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -26.788 -19.056 5.297 1.00 20.00 H new ATOM 611 N THR A 31 -24.409 -20.474 3.698 1.00 20.00 N ATOM 612 CA THR A 31 -24.223 -21.122 2.387 1.00 20.00 C ATOM 613 C THR A 31 -25.544 -21.612 1.784 1.00 20.00 C ATOM 614 O THR A 31 -26.079 -20.989 0.866 1.00 20.00 O ATOM 615 CB THR A 31 -23.174 -22.271 2.411 1.00 20.00 C ATOM 616 OG1 THR A 31 -23.515 -23.285 3.366 1.00 20.00 O ATOM 617 CG2 THR A 31 -21.790 -21.730 2.732 1.00 20.00 C ATOM 0 H THR A 31 -24.067 -19.514 3.722 1.00 20.00 H new ATOM 0 HA THR A 31 -23.826 -20.340 1.740 1.00 20.00 H new ATOM 0 HB THR A 31 -23.172 -22.718 1.417 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.059 -22.892 4.080 1.00 20.00 H new ATOM 0 HG21 THR A 31 -21.072 -22.550 2.744 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.498 -21.003 1.974 1.00 20.00 H new ATOM 0 HG23 THR A 31 -21.806 -21.248 3.709 1.00 20.00 H new ATOM 625 N SER A 32 -26.070 -22.710 2.302 1.00 20.00 N ATOM 626 CA SER A 32 -27.324 -23.261 1.821 1.00 20.00 C ATOM 627 C SER A 32 -28.493 -22.671 2.606 1.00 20.00 C ATOM 628 O SER A 32 -28.602 -22.869 3.818 1.00 20.00 O ATOM 629 CB SER A 32 -27.315 -24.790 1.958 1.00 20.00 C ATOM 630 OG SER A 32 -28.517 -25.362 1.468 1.00 20.00 O ATOM 0 H SER A 32 -25.643 -23.240 3.062 1.00 20.00 H new ATOM 0 HA SER A 32 -27.441 -23.002 0.769 1.00 20.00 H new ATOM 0 HB2 SER A 32 -26.466 -25.201 1.411 1.00 20.00 H new ATOM 0 HB3 SER A 32 -27.182 -25.062 3.005 1.00 20.00 H new ATOM 0 HG SER A 32 -29.231 -25.239 2.128 1.00 20.00 H new ATOM 636 N LEU A 33 -29.352 -21.927 1.916 1.00 20.00 N ATOM 637 CA LEU A 33 -30.549 -21.376 2.533 1.00 20.00 C ATOM 638 C LEU A 33 -31.574 -22.494 2.709 1.00 20.00 C ATOM 639 O LEU A 33 -32.367 -22.491 3.651 1.00 20.00 O ATOM 640 CB LEU A 33 -31.104 -20.225 1.673 1.00 20.00 C ATOM 641 CG LEU A 33 -32.090 -19.272 2.368 1.00 20.00 C ATOM 642 CD1 LEU A 33 -32.136 -17.939 1.637 1.00 20.00 C ATOM 643 CD2 LEU A 33 -33.487 -19.874 2.428 1.00 20.00 C ATOM 0 H LEU A 33 -29.240 -21.693 0.930 1.00 20.00 H new ATOM 0 HA LEU A 33 -30.313 -20.965 3.514 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -30.263 -19.638 1.303 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -31.600 -20.656 0.803 1.00 20.00 H new ATOM 0 HG LEU A 33 -31.740 -19.113 3.388 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -32.838 -17.273 2.139 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -31.143 -17.489 1.639 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -32.460 -18.099 0.609 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -34.162 -19.177 2.925 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -33.844 -20.066 1.416 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -33.456 -20.810 2.986 1.00 20.00 H new ATOM 655 N ALA A 34 -31.529 -23.462 1.801 1.00 20.00 N ATOM 656 CA ALA A 34 -32.347 -24.659 1.914 1.00 20.00 C ATOM 657 C ALA A 34 -31.746 -25.589 2.959 1.00 20.00 C ATOM 658 O ALA A 34 -30.556 -25.490 3.265 1.00 20.00 O ATOM 659 CB ALA A 34 -32.444 -25.359 0.568 1.00 20.00 C ATOM 0 H ALA A 34 -30.931 -23.439 0.975 1.00 20.00 H new ATOM 0 HA ALA A 34 -33.353 -24.379 2.226 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -33.059 -26.253 0.667 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -32.896 -24.686 -0.160 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.446 -25.640 0.231 1.00 20.00 H new ATOM 665 N ASP A 35 -32.565 -26.479 3.504 1.00 20.00 N ATOM 666 CA ASP A 35 -32.113 -27.395 4.549 1.00 20.00 C ATOM 667 C ASP A 35 -31.095 -28.385 3.998 1.00 20.00 C ATOM 668 O ASP A 35 -31.418 -29.212 3.144 1.00 20.00 O ATOM 669 CB ASP A 35 -33.292 -28.152 5.167 1.00 20.00 C ATOM 670 CG ASP A 35 -32.845 -29.207 6.162 1.00 20.00 C ATOM 671 OD1 ASP A 35 -32.519 -28.845 7.314 1.00 20.00 O ATOM 672 OD2 ASP A 35 -32.828 -30.403 5.803 1.00 20.00 O ATOM 0 H ASP A 35 -33.545 -26.588 3.242 1.00 20.00 H new ATOM 0 HA ASP A 35 -31.638 -26.797 5.327 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -33.954 -27.444 5.665 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -33.871 -28.626 4.375 1.00 20.00 H new ATOM 677 N PRO A 36 -29.845 -28.297 4.471 1.00 20.00 N ATOM 678 CA PRO A 36 -28.779 -29.187 4.027 1.00 20.00 C ATOM 679 C PRO A 36 -28.897 -30.574 4.649 1.00 20.00 C ATOM 680 O PRO A 36 -28.754 -30.740 5.862 1.00 20.00 O ATOM 681 CB PRO A 36 -27.509 -28.477 4.498 1.00 20.00 C ATOM 682 CG PRO A 36 -27.929 -27.691 5.694 1.00 20.00 C ATOM 683 CD PRO A 36 -29.374 -27.319 5.473 1.00 20.00 C ATOM 0 HA PRO A 36 -28.802 -29.361 2.951 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -26.727 -29.193 4.751 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -27.108 -27.828 3.720 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -27.814 -28.279 6.605 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.312 -26.800 5.810 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -29.949 -27.385 6.397 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -29.472 -26.296 5.109 1.00 20.00 H new ATOM 691 N ARG A 37 -29.172 -31.568 3.817 1.00 20.00 N ATOM 692 CA ARG A 37 -29.302 -32.937 4.291 1.00 20.00 C ATOM 693 C ARG A 37 -28.274 -33.836 3.616 1.00 20.00 C ATOM 694 O ARG A 37 -28.094 -33.788 2.397 1.00 20.00 O ATOM 695 CB ARG A 37 -30.722 -33.468 4.051 1.00 20.00 C ATOM 696 CG ARG A 37 -31.169 -33.438 2.596 1.00 20.00 C ATOM 697 CD ARG A 37 -32.544 -34.069 2.421 1.00 20.00 C ATOM 698 NE ARG A 37 -32.533 -35.508 2.700 1.00 20.00 N ATOM 699 CZ ARG A 37 -33.085 -36.072 3.778 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.657 -35.322 4.712 1.00 20.00 N ATOM 701 NH2 ARG A 37 -33.057 -37.387 3.923 1.00 20.00 N ATOM 0 H ARG A 37 -29.309 -31.452 2.813 1.00 20.00 H new ATOM 0 HA ARG A 37 -29.115 -32.943 5.365 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -30.779 -34.494 4.414 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -31.422 -32.880 4.645 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -31.193 -32.407 2.243 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -30.443 -33.969 1.980 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -33.255 -33.577 3.085 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -32.892 -33.901 1.402 1.00 20.00 H new ATOM 0 HE ARG A 37 -32.073 -36.120 2.026 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -33.677 -34.307 4.610 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -34.076 -35.760 5.532 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -32.614 -37.969 3.212 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -33.478 -37.818 4.746 1.00 20.00 H new ATOM 715 N PRO A 38 -27.561 -34.650 4.408 1.00 20.00 N ATOM 716 CA PRO A 38 -26.559 -35.582 3.888 1.00 20.00 C ATOM 717 C PRO A 38 -27.198 -36.780 3.193 1.00 20.00 C ATOM 718 O PRO A 38 -27.314 -37.867 3.769 1.00 20.00 O ATOM 719 CB PRO A 38 -25.798 -36.019 5.139 1.00 20.00 C ATOM 720 CG PRO A 38 -26.780 -35.875 6.249 1.00 20.00 C ATOM 721 CD PRO A 38 -27.664 -34.713 5.880 1.00 20.00 C ATOM 0 HA PRO A 38 -25.921 -35.124 3.132 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -25.448 -37.048 5.051 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -24.919 -35.397 5.305 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -27.366 -36.786 6.371 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -26.273 -35.693 7.196 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -28.693 -34.874 6.203 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -27.324 -33.788 6.345 1.00 20.00 H new ATOM 729 N ALA A 39 -27.620 -36.564 1.959 1.00 20.00 N ATOM 730 CA ALA A 39 -28.260 -37.599 1.167 1.00 20.00 C ATOM 731 C ALA A 39 -27.231 -38.567 0.601 1.00 20.00 C ATOM 732 O ALA A 39 -26.157 -38.156 0.150 1.00 20.00 O ATOM 733 CB ALA A 39 -29.066 -36.969 0.041 1.00 20.00 C ATOM 0 H ALA A 39 -27.529 -35.668 1.479 1.00 20.00 H new ATOM 0 HA ALA A 39 -28.932 -38.161 1.816 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -29.543 -37.753 -0.548 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -29.830 -36.316 0.462 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -28.403 -36.386 -0.599 1.00 20.00 H new ATOM 739 N ILE A 40 -27.562 -39.848 0.631 1.00 20.00 N ATOM 740 CA ILE A 40 -26.695 -40.883 0.093 1.00 20.00 C ATOM 741 C ILE A 40 -26.774 -40.875 -1.433 1.00 20.00 C ATOM 742 O ILE A 40 -27.865 -40.983 -1.997 1.00 20.00 O ATOM 743 CB ILE A 40 -27.078 -42.289 0.626 1.00 20.00 C ATOM 744 CG1 ILE A 40 -26.839 -42.400 2.142 1.00 20.00 C ATOM 745 CG2 ILE A 40 -26.295 -43.371 -0.105 1.00 20.00 C ATOM 746 CD1 ILE A 40 -27.874 -41.697 2.995 1.00 20.00 C ATOM 0 H ILE A 40 -28.435 -40.198 1.027 1.00 20.00 H new ATOM 0 HA ILE A 40 -25.677 -40.668 0.417 1.00 20.00 H new ATOM 0 HB ILE A 40 -28.142 -42.432 0.438 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -26.816 -43.455 2.417 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -25.856 -41.989 2.373 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -26.578 -44.350 0.283 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -26.519 -43.325 -1.171 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -25.227 -43.214 0.049 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -27.627 -41.827 4.049 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -27.884 -40.634 2.753 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -28.858 -42.123 2.798 1.00 20.00 H new ATOM 758 N PRO A 41 -25.617 -40.708 -2.109 1.00 20.00 N ATOM 759 CA PRO A 41 -25.540 -40.648 -3.573 1.00 20.00 C ATOM 760 C PRO A 41 -26.344 -41.754 -4.251 1.00 20.00 C ATOM 761 O PRO A 41 -26.056 -42.942 -4.083 1.00 20.00 O ATOM 762 CB PRO A 41 -24.051 -40.837 -3.855 1.00 20.00 C ATOM 763 CG PRO A 41 -23.360 -40.320 -2.642 1.00 20.00 C ATOM 764 CD PRO A 41 -24.290 -40.557 -1.483 1.00 20.00 C ATOM 0 HA PRO A 41 -25.954 -39.717 -3.959 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -23.812 -41.886 -4.028 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -23.746 -40.289 -4.747 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -22.411 -40.834 -2.488 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -23.135 -39.259 -2.747 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -24.010 -41.449 -0.924 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -24.273 -39.723 -0.782 1.00 20.00 H new ATOM 772 N HIS A 42 -27.336 -41.355 -5.041 1.00 20.00 N ATOM 773 CA HIS A 42 -28.217 -42.308 -5.701 1.00 20.00 C ATOM 774 C HIS A 42 -27.468 -43.075 -6.785 1.00 20.00 C ATOM 775 O HIS A 42 -27.821 -44.203 -7.116 1.00 20.00 O ATOM 776 CB HIS A 42 -29.457 -41.603 -6.288 1.00 20.00 C ATOM 777 CG HIS A 42 -29.161 -40.565 -7.337 1.00 20.00 C ATOM 778 ND1 HIS A 42 -29.139 -39.209 -7.075 1.00 20.00 N ATOM 779 CD2 HIS A 42 -28.887 -40.690 -8.660 1.00 20.00 C ATOM 780 CE1 HIS A 42 -28.864 -38.551 -8.187 1.00 20.00 C ATOM 781 NE2 HIS A 42 -28.708 -39.425 -9.161 1.00 20.00 N ATOM 0 H HIS A 42 -27.549 -40.377 -5.239 1.00 20.00 H new ATOM 0 HA HIS A 42 -28.560 -43.022 -4.952 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -30.115 -42.357 -6.720 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -30.006 -41.129 -5.474 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -28.822 -41.614 -9.216 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -28.781 -37.478 -8.282 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -28.489 -39.198 -10.131 1.00 20.00 H new ATOM 790 N ASP A 43 -26.414 -42.466 -7.315 1.00 20.00 N ATOM 791 CA ASP A 43 -25.622 -43.099 -8.365 1.00 20.00 C ATOM 792 C ASP A 43 -24.780 -44.228 -7.787 1.00 20.00 C ATOM 793 O ASP A 43 -24.469 -45.203 -8.475 1.00 20.00 O ATOM 794 CB ASP A 43 -24.721 -42.078 -9.069 1.00 20.00 C ATOM 795 CG ASP A 43 -23.607 -41.555 -8.183 1.00 20.00 C ATOM 796 OD1 ASP A 43 -23.879 -40.684 -7.333 1.00 20.00 O ATOM 797 OD2 ASP A 43 -22.454 -42.011 -8.340 1.00 20.00 O ATOM 0 H ASP A 43 -26.088 -41.540 -7.038 1.00 20.00 H new ATOM 0 HA ASP A 43 -26.311 -43.512 -9.102 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -24.286 -42.538 -9.956 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -25.329 -41.240 -9.410 1.00 20.00 H new ATOM 802 N GLU A 44 -24.431 -44.100 -6.515 1.00 20.00 N ATOM 803 CA GLU A 44 -23.631 -45.105 -5.837 1.00 20.00 C ATOM 804 C GLU A 44 -24.496 -46.301 -5.452 1.00 20.00 C ATOM 805 O GLU A 44 -24.060 -47.448 -5.527 1.00 20.00 O ATOM 806 CB GLU A 44 -22.958 -44.505 -4.597 1.00 20.00 C ATOM 807 CG GLU A 44 -22.066 -45.482 -3.848 1.00 20.00 C ATOM 808 CD GLU A 44 -21.252 -44.816 -2.759 1.00 20.00 C ATOM 809 OE1 GLU A 44 -20.179 -44.259 -3.072 1.00 20.00 O ATOM 810 OE2 GLU A 44 -21.668 -44.852 -1.585 1.00 20.00 O ATOM 0 H GLU A 44 -24.692 -43.305 -5.931 1.00 20.00 H new ATOM 0 HA GLU A 44 -22.853 -45.448 -6.519 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -22.363 -43.643 -4.900 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -23.729 -44.138 -3.919 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -22.683 -46.265 -3.407 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -21.392 -45.967 -4.554 1.00 20.00 H new ATOM 817 N VAL A 45 -25.733 -46.028 -5.065 1.00 20.00 N ATOM 818 CA VAL A 45 -26.657 -47.085 -4.689 1.00 20.00 C ATOM 819 C VAL A 45 -27.176 -47.813 -5.925 1.00 20.00 C ATOM 820 O VAL A 45 -27.149 -49.039 -5.986 1.00 20.00 O ATOM 821 CB VAL A 45 -27.852 -46.538 -3.884 1.00 20.00 C ATOM 822 CG1 VAL A 45 -28.761 -47.671 -3.433 1.00 20.00 C ATOM 823 CG2 VAL A 45 -27.369 -45.731 -2.692 1.00 20.00 C ATOM 0 H VAL A 45 -26.119 -45.086 -5.003 1.00 20.00 H new ATOM 0 HA VAL A 45 -26.104 -47.782 -4.059 1.00 20.00 H new ATOM 0 HB VAL A 45 -28.428 -45.878 -4.533 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -29.598 -47.263 -2.867 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -29.139 -48.204 -4.306 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -28.198 -48.360 -2.803 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -28.227 -45.353 -2.136 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -26.767 -46.366 -2.042 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -26.765 -44.893 -3.040 1.00 20.00 H new ATOM 833 N GLU A 46 -27.616 -47.046 -6.918 1.00 20.00 N ATOM 834 CA GLU A 46 -28.244 -47.605 -8.117 1.00 20.00 C ATOM 835 C GLU A 46 -27.303 -48.553 -8.860 1.00 20.00 C ATOM 836 O GLU A 46 -27.741 -49.557 -9.422 1.00 20.00 O ATOM 837 CB GLU A 46 -28.699 -46.479 -9.052 1.00 20.00 C ATOM 838 CG GLU A 46 -29.594 -46.947 -10.188 1.00 20.00 C ATOM 839 CD GLU A 46 -30.858 -47.623 -9.691 1.00 20.00 C ATOM 840 OE1 GLU A 46 -31.702 -46.938 -9.072 1.00 20.00 O ATOM 841 OE2 GLU A 46 -31.008 -48.842 -9.904 1.00 20.00 O ATOM 0 H GLU A 46 -27.550 -46.028 -6.918 1.00 20.00 H new ATOM 0 HA GLU A 46 -29.112 -48.181 -7.795 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -29.232 -45.728 -8.468 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.820 -45.991 -9.472 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -29.863 -46.093 -10.810 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -29.040 -47.640 -10.821 1.00 20.00 H new ATOM 848 N ARG A 47 -26.008 -48.246 -8.850 1.00 20.00 N ATOM 849 CA ARG A 47 -25.031 -49.078 -9.548 1.00 20.00 C ATOM 850 C ARG A 47 -24.928 -50.454 -8.890 1.00 20.00 C ATOM 851 O ARG A 47 -24.739 -51.463 -9.567 1.00 20.00 O ATOM 852 CB ARG A 47 -23.656 -48.392 -9.597 1.00 20.00 C ATOM 853 CG ARG A 47 -22.985 -48.231 -8.243 1.00 20.00 C ATOM 854 CD ARG A 47 -21.655 -47.496 -8.353 1.00 20.00 C ATOM 855 NE ARG A 47 -21.821 -46.134 -8.860 1.00 20.00 N ATOM 856 CZ ARG A 47 -20.831 -45.399 -9.368 1.00 20.00 C ATOM 857 NH1 ARG A 47 -19.598 -45.888 -9.429 1.00 20.00 N ATOM 858 NH2 ARG A 47 -21.072 -44.167 -9.803 1.00 20.00 N ATOM 0 H ARG A 47 -25.614 -47.436 -8.372 1.00 20.00 H new ATOM 0 HA ARG A 47 -25.374 -49.213 -10.574 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -22.999 -48.969 -10.248 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -23.771 -47.408 -10.051 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -23.648 -47.684 -7.572 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -22.822 -49.213 -7.799 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -21.177 -47.462 -7.374 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -20.988 -48.050 -9.014 1.00 20.00 H new ATOM 0 HE ARG A 47 -22.753 -45.720 -8.823 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -19.405 -46.829 -9.087 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -18.844 -45.322 -9.818 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -22.015 -43.782 -9.749 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -20.314 -43.606 -10.191 1.00 20.00 H new ATOM 872 N ARG A 48 -25.089 -50.491 -7.572 1.00 20.00 N ATOM 873 CA ARG A 48 -25.036 -51.746 -6.832 1.00 20.00 C ATOM 874 C ARG A 48 -26.405 -52.409 -6.829 1.00 20.00 C ATOM 875 O ARG A 48 -26.521 -53.636 -6.830 1.00 20.00 O ATOM 876 CB ARG A 48 -24.576 -51.509 -5.391 1.00 20.00 C ATOM 877 CG ARG A 48 -23.142 -51.025 -5.265 1.00 20.00 C ATOM 878 CD ARG A 48 -22.172 -51.986 -5.928 1.00 20.00 C ATOM 879 NE ARG A 48 -20.783 -51.620 -5.675 1.00 20.00 N ATOM 880 CZ ARG A 48 -19.749 -52.132 -6.336 1.00 20.00 C ATOM 881 NH1 ARG A 48 -19.948 -52.982 -7.333 1.00 20.00 N ATOM 882 NH2 ARG A 48 -18.513 -51.780 -6.007 1.00 20.00 N ATOM 0 H ARG A 48 -25.257 -49.667 -6.995 1.00 20.00 H new ATOM 0 HA ARG A 48 -24.317 -52.401 -7.324 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -25.237 -50.777 -4.927 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -24.685 -52.437 -4.830 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -23.048 -50.039 -5.720 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -22.885 -50.915 -4.211 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -22.354 -52.996 -5.560 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -22.353 -52.001 -7.003 1.00 20.00 H new ATOM 0 HE ARG A 48 -20.593 -50.930 -4.948 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -20.897 -53.246 -7.596 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -19.152 -53.372 -7.837 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -18.357 -51.117 -5.248 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -17.719 -52.172 -6.513 1.00 20.00 H new ATOM 896 N MET A 49 -27.438 -51.579 -6.831 1.00 20.00 N ATOM 897 CA MET A 49 -28.812 -52.050 -6.813 1.00 20.00 C ATOM 898 C MET A 49 -29.144 -52.776 -8.109 1.00 20.00 C ATOM 899 O MET A 49 -29.955 -53.700 -8.124 1.00 20.00 O ATOM 900 CB MET A 49 -29.765 -50.872 -6.610 1.00 20.00 C ATOM 901 CG MET A 49 -31.180 -51.289 -6.250 1.00 20.00 C ATOM 902 SD MET A 49 -31.247 -52.274 -4.738 1.00 20.00 S ATOM 903 CE MET A 49 -30.546 -51.131 -3.547 1.00 20.00 C ATOM 0 H MET A 49 -27.346 -50.563 -6.845 1.00 20.00 H new ATOM 0 HA MET A 49 -28.930 -52.749 -5.985 1.00 20.00 H new ATOM 0 HB2 MET A 49 -29.373 -50.230 -5.821 1.00 20.00 H new ATOM 0 HB3 MET A 49 -29.792 -50.276 -7.522 1.00 20.00 H new ATOM 0 HG2 MET A 49 -31.798 -50.399 -6.128 1.00 20.00 H new ATOM 0 HG3 MET A 49 -31.607 -51.863 -7.073 1.00 20.00 H new ATOM 0 HE1 MET A 49 -31.051 -51.249 -2.588 1.00 20.00 H new ATOM 0 HE2 MET A 49 -29.483 -51.339 -3.425 1.00 20.00 H new ATOM 0 HE3 MET A 49 -30.677 -50.109 -3.903 1.00 20.00 H new ATOM 913 N ALA A 50 -28.496 -52.356 -9.188 1.00 20.00 N ATOM 914 CA ALA A 50 -28.673 -52.984 -10.490 1.00 20.00 C ATOM 915 C ALA A 50 -28.375 -54.478 -10.430 1.00 20.00 C ATOM 916 O ALA A 50 -29.155 -55.298 -10.921 1.00 20.00 O ATOM 917 CB ALA A 50 -27.783 -52.310 -11.520 1.00 20.00 C ATOM 0 H ALA A 50 -27.838 -51.577 -9.186 1.00 20.00 H new ATOM 0 HA ALA A 50 -29.715 -52.863 -10.785 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -27.923 -52.787 -12.490 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -28.046 -51.255 -11.593 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -26.740 -52.404 -11.217 1.00 20.00 H new ATOM 923 N GLU A 51 -27.256 -54.824 -9.810 1.00 20.00 N ATOM 924 CA GLU A 51 -26.861 -56.219 -9.679 1.00 20.00 C ATOM 925 C GLU A 51 -27.700 -56.909 -8.615 1.00 20.00 C ATOM 926 O GLU A 51 -28.040 -58.085 -8.744 1.00 20.00 O ATOM 927 CB GLU A 51 -25.378 -56.339 -9.328 1.00 20.00 C ATOM 928 CG GLU A 51 -24.445 -55.754 -10.375 1.00 20.00 C ATOM 929 CD GLU A 51 -23.001 -56.143 -10.141 1.00 20.00 C ATOM 930 OE1 GLU A 51 -22.336 -55.495 -9.305 1.00 20.00 O ATOM 931 OE2 GLU A 51 -22.527 -57.097 -10.792 1.00 20.00 O ATOM 0 H GLU A 51 -26.606 -54.159 -9.390 1.00 20.00 H new ATOM 0 HA GLU A 51 -27.029 -56.706 -10.639 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -25.199 -55.838 -8.376 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -25.133 -57.392 -9.186 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -24.754 -56.093 -11.364 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -24.532 -54.667 -10.369 1.00 20.00 H new ATOM 938 N ARG A 52 -28.039 -56.162 -7.570 1.00 20.00 N ATOM 939 CA ARG A 52 -28.870 -56.679 -6.493 1.00 20.00 C ATOM 940 C ARG A 52 -30.229 -57.118 -7.033 1.00 20.00 C ATOM 941 O ARG A 52 -30.719 -58.203 -6.710 1.00 20.00 O ATOM 942 CB ARG A 52 -29.048 -55.616 -5.405 1.00 20.00 C ATOM 943 CG ARG A 52 -29.947 -56.058 -4.263 1.00 20.00 C ATOM 944 CD ARG A 52 -29.368 -57.253 -3.525 1.00 20.00 C ATOM 945 NE ARG A 52 -30.313 -57.818 -2.568 1.00 20.00 N ATOM 946 CZ ARG A 52 -30.059 -58.890 -1.819 1.00 20.00 C ATOM 947 NH1 ARG A 52 -28.863 -59.467 -1.866 1.00 20.00 N ATOM 948 NH2 ARG A 52 -30.995 -59.369 -1.009 1.00 20.00 N ATOM 0 H ARG A 52 -27.749 -55.192 -7.447 1.00 20.00 H new ATOM 0 HA ARG A 52 -28.374 -57.546 -6.057 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.070 -55.351 -5.004 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -29.463 -54.714 -5.855 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -30.084 -55.231 -3.566 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -30.932 -56.313 -4.653 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -29.081 -58.019 -4.245 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.461 -56.951 -3.002 1.00 20.00 H new ATOM 0 HE ARG A 52 -31.222 -57.366 -2.466 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.138 -59.089 -2.476 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -28.670 -60.288 -1.292 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -31.908 -58.916 -0.960 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -30.802 -60.190 -0.435 1.00 20.00 H new ATOM 962 N PHE A 53 -30.821 -56.272 -7.869 1.00 20.00 N ATOM 963 CA PHE A 53 -32.102 -56.575 -8.482 1.00 20.00 C ATOM 964 C PHE A 53 -31.991 -57.814 -9.361 1.00 20.00 C ATOM 965 O PHE A 53 -32.874 -58.666 -9.359 1.00 20.00 O ATOM 966 CB PHE A 53 -32.603 -55.386 -9.310 1.00 20.00 C ATOM 967 CG PHE A 53 -33.929 -55.643 -9.971 1.00 20.00 C ATOM 968 CD1 PHE A 53 -35.102 -55.654 -9.228 1.00 20.00 C ATOM 969 CD2 PHE A 53 -34.003 -55.880 -11.334 1.00 20.00 C ATOM 970 CE1 PHE A 53 -36.318 -55.901 -9.835 1.00 20.00 C ATOM 971 CE2 PHE A 53 -35.217 -56.126 -11.944 1.00 20.00 C ATOM 972 CZ PHE A 53 -36.376 -56.135 -11.195 1.00 20.00 C ATOM 0 H PHE A 53 -30.430 -55.369 -8.136 1.00 20.00 H new ATOM 0 HA PHE A 53 -32.821 -56.770 -7.687 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -32.689 -54.512 -8.664 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -31.864 -55.146 -10.074 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -35.063 -55.468 -8.165 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -33.100 -55.872 -11.927 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -37.223 -55.911 -9.246 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -35.260 -56.311 -13.007 1.00 20.00 H new ATOM 0 HZ PHE A 53 -37.327 -56.325 -11.671 1.00 20.00 H new ATOM 982 N ALA A 54 -30.887 -57.915 -10.091 1.00 20.00 N ATOM 983 CA ALA A 54 -30.663 -59.034 -10.996 1.00 20.00 C ATOM 984 C ALA A 54 -30.658 -60.363 -10.243 1.00 20.00 C ATOM 985 O ALA A 54 -31.223 -61.354 -10.710 1.00 20.00 O ATOM 986 CB ALA A 54 -29.355 -58.845 -11.749 1.00 20.00 C ATOM 0 H ALA A 54 -30.130 -57.232 -10.073 1.00 20.00 H new ATOM 0 HA ALA A 54 -31.484 -59.060 -11.713 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -29.198 -59.687 -12.423 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.398 -57.922 -12.327 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.531 -58.790 -11.038 1.00 20.00 H new ATOM 992 N LYS A 55 -30.038 -60.372 -9.068 1.00 20.00 N ATOM 993 CA LYS A 55 -29.925 -61.587 -8.268 1.00 20.00 C ATOM 994 C LYS A 55 -31.270 -61.992 -7.668 1.00 20.00 C ATOM 995 O LYS A 55 -31.554 -63.179 -7.518 1.00 20.00 O ATOM 996 CB LYS A 55 -28.888 -61.412 -7.155 1.00 20.00 C ATOM 997 CG LYS A 55 -27.470 -61.102 -7.642 1.00 20.00 C ATOM 998 CD LYS A 55 -26.870 -62.232 -8.475 1.00 20.00 C ATOM 999 CE LYS A 55 -27.147 -62.057 -9.965 1.00 20.00 C ATOM 1000 NZ LYS A 55 -26.609 -63.185 -10.771 1.00 20.00 N ATOM 0 H LYS A 55 -29.605 -59.550 -8.647 1.00 20.00 H new ATOM 0 HA LYS A 55 -29.597 -62.384 -8.936 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -29.215 -60.607 -6.496 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -28.861 -62.323 -6.557 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -27.486 -60.188 -8.236 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -26.829 -60.911 -6.781 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -25.793 -62.272 -8.309 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.279 -63.185 -8.140 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -28.222 -61.977 -10.126 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -26.703 -61.123 -10.308 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -26.820 -63.025 -11.777 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -25.579 -63.246 -10.639 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -27.051 -64.074 -10.462 1.00 20.00 H new ATOM 1014 N MET A 56 -32.096 -61.013 -7.326 1.00 20.00 N ATOM 1015 CA MET A 56 -33.407 -61.306 -6.753 1.00 20.00 C ATOM 1016 C MET A 56 -34.428 -61.563 -7.855 1.00 20.00 C ATOM 1017 O MET A 56 -35.509 -62.100 -7.607 1.00 20.00 O ATOM 1018 CB MET A 56 -33.880 -60.162 -5.847 1.00 20.00 C ATOM 1019 CG MET A 56 -34.307 -58.907 -6.597 1.00 20.00 C ATOM 1020 SD MET A 56 -34.814 -57.566 -5.498 1.00 20.00 S ATOM 1021 CE MET A 56 -36.182 -58.334 -4.632 1.00 20.00 C ATOM 0 H MET A 56 -31.888 -60.020 -7.432 1.00 20.00 H new ATOM 0 HA MET A 56 -33.314 -62.206 -6.146 1.00 20.00 H new ATOM 0 HB2 MET A 56 -34.717 -60.514 -5.244 1.00 20.00 H new ATOM 0 HB3 MET A 56 -33.076 -59.904 -5.157 1.00 20.00 H new ATOM 0 HG2 MET A 56 -33.482 -58.565 -7.221 1.00 20.00 H new ATOM 0 HG3 MET A 56 -35.132 -59.153 -7.266 1.00 20.00 H new ATOM 0 HE1 MET A 56 -36.795 -57.564 -4.164 1.00 20.00 H new ATOM 0 HE2 MET A 56 -36.788 -58.901 -5.339 1.00 20.00 H new ATOM 0 HE3 MET A 56 -35.796 -59.006 -3.865 1.00 20.00 H new ATOM 1031 N ARG A 57 -34.077 -61.177 -9.073 1.00 20.00 N ATOM 1032 CA ARG A 57 -34.949 -61.361 -10.225 1.00 20.00 C ATOM 1033 C ARG A 57 -34.721 -62.729 -10.858 1.00 20.00 C ATOM 1034 O ARG A 57 -35.649 -63.527 -10.988 1.00 20.00 O ATOM 1035 CB ARG A 57 -34.697 -60.254 -11.257 1.00 20.00 C ATOM 1036 CG ARG A 57 -35.552 -60.358 -12.509 1.00 20.00 C ATOM 1037 CD ARG A 57 -37.026 -60.168 -12.203 1.00 20.00 C ATOM 1038 NE ARG A 57 -37.843 -60.247 -13.411 1.00 20.00 N ATOM 1039 CZ ARG A 57 -39.164 -60.090 -13.423 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -39.814 -59.838 -12.293 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -39.834 -60.177 -14.563 1.00 20.00 N ATOM 0 H ARG A 57 -33.186 -60.730 -9.290 1.00 20.00 H new ATOM 0 HA ARG A 57 -35.984 -61.305 -9.888 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -34.878 -59.287 -10.787 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -33.646 -60.276 -11.546 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -35.231 -59.607 -13.231 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -35.400 -61.333 -12.973 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -37.351 -60.929 -11.493 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -37.177 -59.200 -11.724 1.00 20.00 H new ATOM 0 HE ARG A 57 -37.373 -60.433 -14.297 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -39.300 -59.765 -11.415 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -40.827 -59.718 -12.303 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -39.337 -60.365 -15.434 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -40.847 -60.056 -14.570 1.00 20.00 H new ATOM 1055 N LYS A 58 -33.481 -62.996 -11.245 1.00 20.00 N ATOM 1056 CA LYS A 58 -33.127 -64.254 -11.890 1.00 20.00 C ATOM 1057 C LYS A 58 -31.752 -64.717 -11.433 1.00 20.00 C ATOM 1058 O LYS A 58 -30.731 -64.282 -11.968 1.00 20.00 O ATOM 1059 CB LYS A 58 -33.145 -64.105 -13.419 1.00 20.00 C ATOM 1060 CG LYS A 58 -34.543 -64.035 -14.033 1.00 20.00 C ATOM 1061 CD LYS A 58 -35.073 -65.409 -14.442 1.00 20.00 C ATOM 1062 CE LYS A 58 -35.397 -66.304 -13.250 1.00 20.00 C ATOM 1063 NZ LYS A 58 -36.454 -65.725 -12.378 1.00 20.00 N ATOM 0 H LYS A 58 -32.698 -62.354 -11.122 1.00 20.00 H new ATOM 0 HA LYS A 58 -33.867 -65.001 -11.603 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -32.597 -63.202 -13.690 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -32.610 -64.946 -13.860 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -35.229 -63.583 -13.316 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -34.520 -63.383 -14.906 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -35.971 -65.280 -15.047 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -34.333 -65.905 -15.071 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -35.721 -67.281 -13.610 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -34.493 -66.464 -12.663 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -36.783 -66.447 -11.706 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -36.066 -64.915 -11.854 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -37.252 -65.408 -12.964 1.00 20.00 H new ATOM 1077 N GLU A 59 -31.726 -65.594 -10.445 1.00 20.00 N ATOM 1078 CA GLU A 59 -30.469 -66.105 -9.921 1.00 20.00 C ATOM 1079 C GLU A 59 -30.107 -67.439 -10.574 1.00 20.00 C ATOM 1080 O GLU A 59 -30.836 -68.423 -10.445 1.00 20.00 O ATOM 1081 CB GLU A 59 -30.509 -66.213 -8.384 1.00 20.00 C ATOM 1082 CG GLU A 59 -31.880 -66.520 -7.783 1.00 20.00 C ATOM 1083 CD GLU A 59 -32.321 -67.957 -7.970 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -31.704 -68.859 -7.363 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -33.304 -68.192 -8.704 1.00 20.00 O ATOM 0 H GLU A 59 -32.559 -65.967 -9.989 1.00 20.00 H new ATOM 0 HA GLU A 59 -29.683 -65.393 -10.173 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -29.813 -66.992 -8.073 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -30.148 -65.275 -7.961 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -31.859 -66.292 -6.717 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -32.621 -65.861 -8.235 1.00 20.00 H new ATOM 1092 N ARG A 60 -28.984 -67.449 -11.296 1.00 20.00 N ATOM 1093 CA ARG A 60 -28.526 -68.628 -12.030 1.00 20.00 C ATOM 1094 C ARG A 60 -29.573 -69.065 -13.059 1.00 20.00 C ATOM 1095 O ARG A 60 -30.463 -68.286 -13.412 1.00 20.00 O ATOM 1096 CB ARG A 60 -28.214 -69.780 -11.065 1.00 20.00 C ATOM 1097 CG ARG A 60 -27.105 -69.471 -10.071 1.00 20.00 C ATOM 1098 CD ARG A 60 -25.759 -69.287 -10.759 1.00 20.00 C ATOM 1099 NE ARG A 60 -25.256 -70.531 -11.348 1.00 20.00 N ATOM 1100 CZ ARG A 60 -24.182 -70.598 -12.139 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -23.531 -69.491 -12.474 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -23.765 -71.770 -12.604 1.00 20.00 N ATOM 0 H ARG A 60 -28.368 -66.641 -11.387 1.00 20.00 H new ATOM 0 HA ARG A 60 -27.611 -68.363 -12.559 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -29.120 -70.035 -10.515 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -27.934 -70.660 -11.644 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -27.356 -68.566 -9.517 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -27.033 -70.280 -9.344 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -25.853 -68.531 -11.539 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -25.034 -68.911 -10.037 1.00 20.00 H new ATOM 0 HE ARG A 60 -25.755 -71.396 -11.142 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -23.851 -68.587 -12.127 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -22.711 -69.545 -13.078 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -24.266 -72.624 -12.357 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -22.944 -71.816 -13.208 1.00 20.00 H new ATOM 1116 N SER A 61 -29.439 -70.298 -13.546 1.00 20.00 N ATOM 1117 CA SER A 61 -30.403 -70.896 -14.466 1.00 20.00 C ATOM 1118 C SER A 61 -30.333 -70.251 -15.853 1.00 20.00 C ATOM 1119 O SER A 61 -30.786 -69.123 -16.053 1.00 20.00 O ATOM 1120 CB SER A 61 -31.827 -70.796 -13.905 1.00 20.00 C ATOM 1121 OG SER A 61 -32.749 -71.508 -14.711 1.00 20.00 O ATOM 0 H SER A 61 -28.657 -70.911 -13.313 1.00 20.00 H new ATOM 0 HA SER A 61 -30.141 -71.949 -14.572 1.00 20.00 H new ATOM 0 HB2 SER A 61 -31.848 -71.191 -12.889 1.00 20.00 H new ATOM 0 HB3 SER A 61 -32.124 -69.749 -13.847 1.00 20.00 H new ATOM 0 HG SER A 61 -33.648 -71.428 -14.329 1.00 20.00 H new ATOM 1127 N LYS A 62 -29.756 -70.972 -16.808 1.00 20.00 N ATOM 1128 CA LYS A 62 -29.719 -70.512 -18.189 1.00 20.00 C ATOM 1129 C LYS A 62 -31.088 -70.701 -18.832 1.00 20.00 C ATOM 1130 O LYS A 62 -31.374 -71.751 -19.415 1.00 20.00 O ATOM 1131 CB LYS A 62 -28.649 -71.263 -18.998 1.00 20.00 C ATOM 1132 CG LYS A 62 -27.215 -70.834 -18.702 1.00 20.00 C ATOM 1133 CD LYS A 62 -26.768 -71.234 -17.305 1.00 20.00 C ATOM 1134 CE LYS A 62 -25.349 -70.774 -17.022 1.00 20.00 C ATOM 1135 NZ LYS A 62 -24.927 -71.112 -15.639 1.00 20.00 N ATOM 0 H LYS A 62 -29.309 -71.875 -16.651 1.00 20.00 H new ATOM 0 HA LYS A 62 -29.460 -69.453 -18.189 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -28.744 -72.330 -18.799 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -28.846 -71.118 -20.060 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -26.546 -71.281 -19.437 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -27.132 -69.753 -18.812 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -27.445 -70.803 -16.568 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -26.829 -72.317 -17.199 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -24.667 -71.239 -17.734 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -25.279 -69.696 -17.170 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -23.953 -70.782 -15.483 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -25.563 -70.648 -14.959 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -24.969 -72.142 -15.505 1.00 20.00 H new ATOM 1149 N GLN A 63 -31.934 -69.690 -18.698 1.00 20.00 N ATOM 1150 CA GLN A 63 -33.286 -69.745 -19.231 1.00 20.00 C ATOM 1151 C GLN A 63 -33.274 -69.476 -20.730 1.00 20.00 C ATOM 1152 O GLN A 63 -33.347 -70.446 -21.511 1.00 20.00 O ATOM 1153 CB GLN A 63 -34.183 -68.728 -18.519 1.00 20.00 C ATOM 1154 CG GLN A 63 -35.643 -68.803 -18.935 1.00 20.00 C ATOM 1155 CD GLN A 63 -36.504 -67.746 -18.269 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -37.682 -67.976 -17.988 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -35.937 -66.570 -18.035 1.00 20.00 N ATOM 1158 OXT GLN A 63 -33.166 -68.297 -21.124 1.00 20.00 O ATOM 0 H GLN A 63 -31.705 -68.817 -18.222 1.00 20.00 H new ATOM 0 HA GLN A 63 -33.686 -70.744 -19.057 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -34.113 -68.886 -17.443 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -33.809 -67.724 -18.719 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -35.713 -68.692 -20.017 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -36.035 -69.790 -18.690 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -34.959 -66.417 -18.281 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -36.479 -65.818 -17.609 1.00 20.00 H new TER 1167 GLN A 63