USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 SER OG : rot 167:sc= -1.62! USER MOD Set 1.2: A 79 SER OG : rot 163:sc= 0.961 USER MOD Single : A 1 SER N :NH3+ -142:sc= 0.0162 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.327 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -118:sc=-0.000646 (180deg=-1.18) USER MOD Single : A 16 THR OG1 : rot -93:sc= -2.77! USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.108 (180deg=-0.704) USER MOD Single : A 21 ASN : amide:sc= -3.64! C(o=-3.6!,f=-3.4!) USER MOD Single : A 22 ASN : amide:sc= -18.1! C(o=-18!,f=-8.9!) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -2.49 (180deg=-3.61!) USER MOD Single : A 24 THR OG1 : rot -178:sc= -0.428 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= -1.34! (180deg=-4.18!) USER MOD Single : A 35 MET CE :methyl -129:sc= -2.73 (180deg=-6.96!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.486 (180deg=-0.875) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.00607 USER MOD Single : A 44 SER OG : rot 87:sc= 0.371 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 103:sc= 1.17 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -147:sc= -1.95! (180deg=-4.08!) USER MOD Single : A 76 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.166 5.692 14.479 1.00 0.00 N ATOM 2 CA SER A 1 19.984 5.776 13.576 1.00 0.00 C ATOM 3 C SER A 1 20.005 4.601 12.598 1.00 0.00 C ATOM 4 O SER A 1 20.347 3.490 12.955 1.00 0.00 O ATOM 5 CB SER A 1 20.032 7.088 12.792 1.00 0.00 C ATOM 6 OG SER A 1 21.075 7.021 11.828 1.00 0.00 O ATOM 0 H1 SER A 1 20.892 5.987 15.438 1.00 0.00 H new ATOM 0 H2 SER A 1 21.514 4.712 14.505 1.00 0.00 H new ATOM 0 H3 SER A 1 21.918 6.318 14.126 1.00 0.00 H new ATOM 0 HA SER A 1 19.071 5.740 14.171 1.00 0.00 H new ATOM 0 HB2 SER A 1 19.076 7.266 12.299 1.00 0.00 H new ATOM 0 HB3 SER A 1 20.201 7.924 13.470 1.00 0.00 H new ATOM 0 HG SER A 1 21.108 7.860 11.322 1.00 0.00 H new ATOM 14 N ASP A 2 19.643 4.835 11.367 1.00 0.00 N ATOM 15 CA ASP A 2 19.643 3.730 10.369 1.00 0.00 C ATOM 16 C ASP A 2 18.857 2.546 10.925 1.00 0.00 C ATOM 17 O ASP A 2 19.216 1.401 10.730 1.00 0.00 O ATOM 18 CB ASP A 2 21.081 3.297 10.090 1.00 0.00 C ATOM 19 CG ASP A 2 21.910 4.514 9.677 1.00 0.00 C ATOM 20 OD1 ASP A 2 21.884 4.855 8.507 1.00 0.00 O ATOM 21 OD2 ASP A 2 22.557 5.085 10.540 1.00 0.00 O ATOM 0 H ASP A 2 19.347 5.743 11.010 1.00 0.00 H new ATOM 0 HA ASP A 2 19.180 4.074 9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.512 2.835 10.978 1.00 0.00 H new ATOM 0 HB3 ASP A 2 21.099 2.546 9.300 1.00 0.00 H new ATOM 26 N VAL A 3 17.785 2.818 11.618 1.00 0.00 N ATOM 27 CA VAL A 3 16.955 1.726 12.202 1.00 0.00 C ATOM 28 C VAL A 3 15.736 1.502 11.312 1.00 0.00 C ATOM 29 O VAL A 3 15.026 0.524 11.438 1.00 0.00 O ATOM 30 CB VAL A 3 16.526 2.132 13.624 1.00 0.00 C ATOM 31 CG1 VAL A 3 15.362 3.123 13.607 1.00 0.00 C ATOM 32 CG2 VAL A 3 16.131 0.889 14.424 1.00 0.00 C ATOM 0 H VAL A 3 17.445 3.761 11.806 1.00 0.00 H new ATOM 0 HA VAL A 3 17.524 0.798 12.258 1.00 0.00 H new ATOM 0 HB VAL A 3 17.377 2.623 14.097 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.091 3.383 14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.659 4.024 13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.505 2.669 13.109 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.829 1.184 15.429 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.301 0.386 13.928 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.982 0.210 14.486 1.00 0.00 H new ATOM 42 N TYR A 4 15.487 2.415 10.421 1.00 0.00 N ATOM 43 CA TYR A 4 14.308 2.276 9.526 1.00 0.00 C ATOM 44 C TYR A 4 14.477 1.039 8.642 1.00 0.00 C ATOM 45 O TYR A 4 13.533 0.544 8.063 1.00 0.00 O ATOM 46 CB TYR A 4 14.179 3.503 8.621 1.00 0.00 C ATOM 47 CG TYR A 4 14.196 4.812 9.399 1.00 0.00 C ATOM 48 CD1 TYR A 4 14.121 4.859 10.808 1.00 0.00 C ATOM 49 CD2 TYR A 4 14.293 6.006 8.675 1.00 0.00 C ATOM 50 CE1 TYR A 4 14.144 6.091 11.468 1.00 0.00 C ATOM 51 CE2 TYR A 4 14.313 7.234 9.338 1.00 0.00 C ATOM 52 CZ TYR A 4 14.239 7.280 10.734 1.00 0.00 C ATOM 53 OH TYR A 4 14.262 8.495 11.388 1.00 0.00 O ATOM 0 H TYR A 4 16.049 3.253 10.273 1.00 0.00 H new ATOM 0 HA TYR A 4 13.415 2.181 10.144 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.995 3.504 7.899 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.251 3.435 8.053 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.046 3.943 11.376 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.353 5.977 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 4 14.088 6.126 12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.386 8.151 8.772 1.00 0.00 H new ATOM 0 HH TYR A 4 14.332 9.219 10.731 1.00 0.00 H new ATOM 63 N CYS A 5 15.679 0.547 8.517 1.00 0.00 N ATOM 64 CA CYS A 5 15.912 -0.644 7.651 1.00 0.00 C ATOM 65 C CYS A 5 15.568 -1.933 8.406 1.00 0.00 C ATOM 66 O CYS A 5 14.924 -2.818 7.876 1.00 0.00 O ATOM 67 CB CYS A 5 17.385 -0.668 7.224 1.00 0.00 C ATOM 68 SG CYS A 5 17.941 1.026 6.911 1.00 0.00 S ATOM 0 H CYS A 5 16.510 0.918 8.977 1.00 0.00 H new ATOM 0 HA CYS A 5 15.271 -0.580 6.772 1.00 0.00 H new ATOM 0 HB2 CYS A 5 17.995 -1.126 8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 5 17.506 -1.275 6.327 1.00 0.00 H new ATOM 73 N GLU A 6 16.000 -2.055 9.631 1.00 0.00 N ATOM 74 CA GLU A 6 15.706 -3.297 10.402 1.00 0.00 C ATOM 75 C GLU A 6 14.293 -3.234 10.989 1.00 0.00 C ATOM 76 O GLU A 6 13.605 -4.233 11.077 1.00 0.00 O ATOM 77 CB GLU A 6 16.720 -3.438 11.539 1.00 0.00 C ATOM 78 CG GLU A 6 18.118 -3.645 10.954 1.00 0.00 C ATOM 79 CD GLU A 6 18.587 -2.352 10.281 1.00 0.00 C ATOM 80 OE1 GLU A 6 18.141 -1.296 10.698 1.00 0.00 O ATOM 81 OE2 GLU A 6 19.383 -2.442 9.362 1.00 0.00 O ATOM 0 H GLU A 6 16.543 -1.351 10.131 1.00 0.00 H new ATOM 0 HA GLU A 6 15.775 -4.155 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.705 -2.547 12.166 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.453 -4.281 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.815 -3.931 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.104 -4.460 10.230 1.00 0.00 H new ATOM 88 N VAL A 7 13.855 -2.077 11.403 1.00 0.00 N ATOM 89 CA VAL A 7 12.492 -1.972 11.996 1.00 0.00 C ATOM 90 C VAL A 7 11.428 -2.176 10.904 1.00 0.00 C ATOM 91 O VAL A 7 10.392 -2.760 11.141 1.00 0.00 O ATOM 92 CB VAL A 7 12.331 -0.587 12.666 1.00 0.00 C ATOM 93 CG1 VAL A 7 11.926 0.477 11.636 1.00 0.00 C ATOM 94 CG2 VAL A 7 11.269 -0.668 13.772 1.00 0.00 C ATOM 0 H VAL A 7 14.379 -1.203 11.357 1.00 0.00 H new ATOM 0 HA VAL A 7 12.359 -2.747 12.751 1.00 0.00 H new ATOM 0 HB VAL A 7 13.290 -0.300 13.098 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.819 1.442 12.132 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.694 0.548 10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.977 0.198 11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.158 0.309 14.242 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.316 -0.973 13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.578 -1.398 14.520 1.00 0.00 H new ATOM 104 N CYS A 8 11.671 -1.693 9.714 1.00 0.00 N ATOM 105 CA CYS A 8 10.666 -1.857 8.629 1.00 0.00 C ATOM 106 C CYS A 8 10.575 -3.333 8.233 1.00 0.00 C ATOM 107 O CYS A 8 9.509 -3.913 8.209 1.00 0.00 O ATOM 108 CB CYS A 8 11.071 -1.008 7.418 1.00 0.00 C ATOM 109 SG CYS A 8 12.550 -1.705 6.637 1.00 0.00 S ATOM 0 H CYS A 8 12.520 -1.194 9.449 1.00 0.00 H new ATOM 0 HA CYS A 8 9.690 -1.524 8.983 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.253 -0.972 6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.265 0.018 7.731 1.00 0.00 H new ATOM 114 N GLU A 9 11.682 -3.949 7.922 1.00 0.00 N ATOM 115 CA GLU A 9 11.634 -5.399 7.523 1.00 0.00 C ATOM 116 C GLU A 9 10.783 -6.177 8.532 1.00 0.00 C ATOM 117 O GLU A 9 10.044 -7.070 8.174 1.00 0.00 O ATOM 118 CB GLU A 9 13.046 -6.033 7.475 1.00 0.00 C ATOM 119 CG GLU A 9 13.827 -5.535 6.245 1.00 0.00 C ATOM 120 CD GLU A 9 14.995 -6.485 5.963 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.736 -7.636 5.658 1.00 0.00 O ATOM 122 OE2 GLU A 9 16.128 -6.042 6.057 1.00 0.00 O ATOM 0 H GLU A 9 12.610 -3.525 7.924 1.00 0.00 H new ATOM 0 HA GLU A 9 11.200 -5.451 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.593 -5.783 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.961 -7.119 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.168 -5.485 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.199 -4.526 6.421 1.00 0.00 H new ATOM 129 N PHE A 10 10.888 -5.854 9.792 1.00 0.00 N ATOM 130 CA PHE A 10 10.094 -6.590 10.819 1.00 0.00 C ATOM 131 C PHE A 10 8.649 -6.083 10.846 1.00 0.00 C ATOM 132 O PHE A 10 7.727 -6.835 11.095 1.00 0.00 O ATOM 133 CB PHE A 10 10.732 -6.383 12.194 1.00 0.00 C ATOM 134 CG PHE A 10 9.887 -7.052 13.252 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.033 -8.422 13.501 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.957 -6.303 13.981 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.249 -9.042 14.481 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.172 -6.922 14.961 1.00 0.00 C ATOM 139 CZ PHE A 10 8.319 -8.292 15.211 1.00 0.00 C ATOM 0 H PHE A 10 11.488 -5.114 10.155 1.00 0.00 H new ATOM 0 HA PHE A 10 10.088 -7.650 10.567 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.740 -6.797 12.204 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.823 -5.318 12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.750 -9.000 12.937 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.845 -5.246 13.788 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.361 -10.099 14.674 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.454 -6.344 15.523 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.715 -8.770 15.967 1.00 0.00 H new ATOM 149 N LEU A 11 8.438 -4.821 10.605 1.00 0.00 N ATOM 150 CA LEU A 11 7.047 -4.287 10.634 1.00 0.00 C ATOM 151 C LEU A 11 6.329 -4.619 9.328 1.00 0.00 C ATOM 152 O LEU A 11 5.218 -5.110 9.329 1.00 0.00 O ATOM 153 CB LEU A 11 7.089 -2.768 10.814 1.00 0.00 C ATOM 154 CG LEU A 11 7.596 -2.428 12.221 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.990 -0.950 12.269 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.506 -2.711 13.275 1.00 0.00 C ATOM 0 H LEU A 11 9.164 -4.137 10.390 1.00 0.00 H new ATOM 0 HA LEU A 11 6.509 -4.744 11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.742 -2.321 10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.095 -2.347 10.663 1.00 0.00 H new ATOM 0 HG LEU A 11 8.462 -3.051 12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.351 -0.702 13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.778 -0.760 11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.122 -0.334 12.034 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.885 -2.463 14.266 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.626 -2.104 13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.235 -3.766 13.244 1.00 0.00 H new ATOM 168 N VAL A 12 6.943 -4.345 8.213 1.00 0.00 N ATOM 169 CA VAL A 12 6.275 -4.636 6.918 1.00 0.00 C ATOM 170 C VAL A 12 6.008 -6.134 6.793 1.00 0.00 C ATOM 171 O VAL A 12 5.087 -6.531 6.120 1.00 0.00 O ATOM 172 CB VAL A 12 7.150 -4.187 5.747 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.330 -4.247 4.458 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.630 -2.746 5.968 1.00 0.00 C ATOM 0 H VAL A 12 7.874 -3.934 8.143 1.00 0.00 H new ATOM 0 HA VAL A 12 5.333 -4.089 6.891 1.00 0.00 H new ATOM 0 HB VAL A 12 8.015 -4.846 5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.948 -3.928 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.990 -5.269 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.467 -3.587 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.252 -2.437 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.768 -2.083 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.211 -2.693 6.889 1.00 0.00 H new ATOM 184 N LYS A 13 6.804 -6.974 7.421 1.00 0.00 N ATOM 185 CA LYS A 13 6.568 -8.448 7.307 1.00 0.00 C ATOM 186 C LYS A 13 5.494 -8.881 8.322 1.00 0.00 C ATOM 187 O LYS A 13 4.762 -9.826 8.104 1.00 0.00 O ATOM 188 CB LYS A 13 7.907 -9.204 7.494 1.00 0.00 C ATOM 189 CG LYS A 13 8.272 -9.451 8.982 1.00 0.00 C ATOM 190 CD LYS A 13 8.239 -10.947 9.330 1.00 0.00 C ATOM 191 CE LYS A 13 6.798 -11.438 9.369 1.00 0.00 C ATOM 192 NZ LYS A 13 6.754 -12.804 9.962 1.00 0.00 N ATOM 0 H LYS A 13 7.598 -6.703 8.001 1.00 0.00 H new ATOM 0 HA LYS A 13 6.192 -8.698 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.850 -10.162 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.707 -8.634 7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.265 -9.051 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.574 -8.912 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.806 -11.514 8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.716 -11.115 10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.186 -10.755 9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.381 -11.453 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.383 -13.475 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.713 -13.092 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.135 -12.800 10.798 1.00 0.00 H new ATOM 206 N GLU A 14 5.389 -8.179 9.423 1.00 0.00 N ATOM 207 CA GLU A 14 4.360 -8.527 10.453 1.00 0.00 C ATOM 208 C GLU A 14 2.992 -8.039 9.976 1.00 0.00 C ATOM 209 O GLU A 14 2.033 -8.787 9.910 1.00 0.00 O ATOM 210 CB GLU A 14 4.711 -7.846 11.781 1.00 0.00 C ATOM 211 CG GLU A 14 5.843 -8.613 12.469 1.00 0.00 C ATOM 212 CD GLU A 14 5.304 -9.932 13.024 1.00 0.00 C ATOM 213 OE1 GLU A 14 4.536 -9.883 13.971 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.668 -10.968 12.493 1.00 0.00 O ATOM 0 H GLU A 14 5.974 -7.376 9.654 1.00 0.00 H new ATOM 0 HA GLU A 14 4.337 -9.607 10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.013 -6.814 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.834 -7.814 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.648 -8.807 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.265 -8.013 13.275 1.00 0.00 H new ATOM 221 N VAL A 15 2.892 -6.792 9.619 1.00 0.00 N ATOM 222 CA VAL A 15 1.588 -6.280 9.123 1.00 0.00 C ATOM 223 C VAL A 15 1.111 -7.226 8.026 1.00 0.00 C ATOM 224 O VAL A 15 -0.034 -7.608 7.984 1.00 0.00 O ATOM 225 CB VAL A 15 1.760 -4.857 8.575 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.586 -4.889 7.289 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.382 -4.254 8.285 1.00 0.00 C ATOM 0 H VAL A 15 3.650 -6.110 9.648 1.00 0.00 H new ATOM 0 HA VAL A 15 0.854 -6.239 9.928 1.00 0.00 H new ATOM 0 HB VAL A 15 2.278 -4.247 9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.703 -3.875 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.568 -5.314 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.077 -5.501 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.502 -3.243 7.896 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.136 -4.868 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.202 -4.222 9.205 1.00 0.00 H new ATOM 237 N THR A 16 2.005 -7.631 7.166 1.00 0.00 N ATOM 238 CA THR A 16 1.632 -8.580 6.084 1.00 0.00 C ATOM 239 C THR A 16 0.910 -9.788 6.690 1.00 0.00 C ATOM 240 O THR A 16 -0.130 -10.195 6.226 1.00 0.00 O ATOM 241 CB THR A 16 2.921 -9.034 5.375 1.00 0.00 C ATOM 242 OG1 THR A 16 4.007 -8.453 6.041 1.00 0.00 O ATOM 243 CG2 THR A 16 2.907 -8.572 3.915 1.00 0.00 C ATOM 0 H THR A 16 2.983 -7.342 7.168 1.00 0.00 H new ATOM 0 HA THR A 16 0.965 -8.099 5.368 1.00 0.00 H new ATOM 0 HB THR A 16 2.997 -10.121 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.242 -7.607 5.607 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.823 -8.898 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.046 -9.004 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.842 -7.485 3.878 1.00 0.00 H new ATOM 251 N LYS A 17 1.466 -10.373 7.718 1.00 0.00 N ATOM 252 CA LYS A 17 0.816 -11.563 8.342 1.00 0.00 C ATOM 253 C LYS A 17 -0.680 -11.274 8.538 1.00 0.00 C ATOM 254 O LYS A 17 -1.519 -12.129 8.327 1.00 0.00 O ATOM 255 CB LYS A 17 1.507 -11.870 9.695 1.00 0.00 C ATOM 256 CG LYS A 17 2.301 -13.181 9.607 1.00 0.00 C ATOM 257 CD LYS A 17 3.054 -13.413 10.918 1.00 0.00 C ATOM 258 CE LYS A 17 3.905 -14.679 10.802 1.00 0.00 C ATOM 259 NZ LYS A 17 3.033 -15.832 10.439 1.00 0.00 N ATOM 0 H LYS A 17 2.341 -10.079 8.152 1.00 0.00 H new ATOM 0 HA LYS A 17 0.919 -12.435 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.174 -11.051 9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.759 -11.943 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.626 -14.014 9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.004 -13.137 8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.688 -12.555 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.348 -13.511 11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.679 -14.542 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.413 -14.876 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.533 -16.722 10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.157 -15.795 10.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.799 -15.785 9.427 1.00 0.00 H new ATOM 273 N LEU A 18 -1.025 -10.074 8.927 1.00 0.00 N ATOM 274 CA LEU A 18 -2.470 -9.735 9.119 1.00 0.00 C ATOM 275 C LEU A 18 -3.045 -9.225 7.783 1.00 0.00 C ATOM 276 O LEU A 18 -4.161 -9.535 7.418 1.00 0.00 O ATOM 277 CB LEU A 18 -2.579 -8.694 10.271 1.00 0.00 C ATOM 278 CG LEU A 18 -2.896 -7.278 9.757 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.367 -7.198 9.275 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.652 -6.278 10.896 1.00 0.00 C ATOM 0 H LEU A 18 -0.372 -9.315 9.120 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.059 -10.606 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.357 -9.007 10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.642 -8.674 10.828 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.251 -7.038 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.577 -6.191 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.525 -7.913 8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.035 -7.433 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.872 -5.269 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.300 -6.521 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.610 -6.333 11.212 1.00 0.00 H new ATOM 292 N ILE A 19 -2.285 -8.458 7.056 1.00 0.00 N ATOM 293 CA ILE A 19 -2.751 -7.929 5.747 1.00 0.00 C ATOM 294 C ILE A 19 -2.827 -9.093 4.752 1.00 0.00 C ATOM 295 O ILE A 19 -3.418 -8.985 3.697 1.00 0.00 O ATOM 296 CB ILE A 19 -1.717 -6.868 5.298 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.281 -5.453 5.466 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.272 -7.052 3.841 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.149 -4.423 5.349 1.00 0.00 C ATOM 0 H ILE A 19 -1.343 -8.170 7.319 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.739 -7.473 5.809 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.847 -7.006 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.039 -5.261 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.771 -5.360 6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.547 -6.280 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.815 -8.034 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.138 -6.972 3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.557 -3.419 5.469 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.407 -4.609 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.679 -4.509 4.369 1.00 0.00 H new ATOM 311 N ASP A 20 -2.205 -10.189 5.083 1.00 0.00 N ATOM 312 CA ASP A 20 -2.195 -11.365 4.170 1.00 0.00 C ATOM 313 C ASP A 20 -3.582 -11.569 3.548 1.00 0.00 C ATOM 314 O ASP A 20 -3.719 -11.656 2.344 1.00 0.00 O ATOM 315 CB ASP A 20 -1.806 -12.615 4.959 1.00 0.00 C ATOM 316 CG ASP A 20 -1.720 -13.813 4.011 1.00 0.00 C ATOM 317 OD1 ASP A 20 -0.772 -13.870 3.245 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.604 -14.651 4.066 1.00 0.00 O ATOM 0 H ASP A 20 -1.697 -10.322 5.958 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.472 -11.188 3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.848 -12.461 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.541 -12.808 5.740 1.00 0.00 H new ATOM 323 N ASN A 21 -4.611 -11.650 4.355 1.00 0.00 N ATOM 324 CA ASN A 21 -5.978 -11.857 3.790 1.00 0.00 C ATOM 325 C ASN A 21 -7.054 -11.452 4.805 1.00 0.00 C ATOM 326 O ASN A 21 -8.194 -11.858 4.697 1.00 0.00 O ATOM 327 CB ASN A 21 -6.160 -13.336 3.445 1.00 0.00 C ATOM 328 CG ASN A 21 -5.349 -13.682 2.195 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.541 -14.590 2.214 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.530 -12.993 1.102 1.00 0.00 N ATOM 0 H ASN A 21 -4.564 -11.582 5.372 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.082 -11.239 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.838 -13.956 4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.215 -13.552 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.994 -13.216 0.264 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.208 -12.231 1.086 1.00 0.00 H new ATOM 337 N ASN A 22 -6.718 -10.663 5.786 1.00 0.00 N ATOM 338 CA ASN A 22 -7.753 -10.259 6.781 1.00 0.00 C ATOM 339 C ASN A 22 -8.807 -9.388 6.095 1.00 0.00 C ATOM 340 O ASN A 22 -9.993 -9.606 6.236 1.00 0.00 O ATOM 341 CB ASN A 22 -7.100 -9.474 7.920 1.00 0.00 C ATOM 342 CG ASN A 22 -6.553 -8.158 7.373 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.701 -7.121 7.987 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.927 -8.159 6.232 1.00 0.00 N ATOM 0 H ASN A 22 -5.784 -10.284 5.943 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.228 -11.151 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.828 -9.280 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.296 -10.059 8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.559 -7.287 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.804 -9.032 5.718 1.00 0.00 H new ATOM 351 N LYS A 23 -8.378 -8.401 5.347 1.00 0.00 N ATOM 352 CA LYS A 23 -9.338 -7.500 4.635 1.00 0.00 C ATOM 353 C LYS A 23 -9.272 -7.785 3.135 1.00 0.00 C ATOM 354 O LYS A 23 -8.208 -7.883 2.557 1.00 0.00 O ATOM 355 CB LYS A 23 -8.957 -6.039 4.921 1.00 0.00 C ATOM 356 CG LYS A 23 -7.599 -5.691 4.266 1.00 0.00 C ATOM 357 CD LYS A 23 -7.822 -4.991 2.914 1.00 0.00 C ATOM 358 CE LYS A 23 -6.597 -5.185 2.015 1.00 0.00 C ATOM 359 NZ LYS A 23 -6.720 -4.319 0.809 1.00 0.00 N ATOM 0 H LYS A 23 -7.394 -8.179 5.198 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.355 -7.677 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.732 -5.374 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.900 -5.877 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.024 -5.044 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.014 -6.599 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.709 -5.397 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.003 -3.928 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.688 -4.936 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.513 -6.230 1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.802 -4.267 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.430 -4.721 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.015 -3.364 1.096 1.00 0.00 H new ATOM 373 N THR A 24 -10.404 -7.926 2.497 1.00 0.00 N ATOM 374 CA THR A 24 -10.413 -8.212 1.030 1.00 0.00 C ATOM 375 C THR A 24 -10.488 -6.898 0.246 1.00 0.00 C ATOM 376 O THR A 24 -10.341 -5.826 0.797 1.00 0.00 O ATOM 377 CB THR A 24 -11.627 -9.081 0.693 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.789 -8.521 1.289 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.407 -10.497 1.232 1.00 0.00 C ATOM 0 H THR A 24 -11.325 -7.855 2.929 1.00 0.00 H new ATOM 0 HA THR A 24 -9.498 -8.738 0.757 1.00 0.00 H new ATOM 0 HB THR A 24 -11.757 -9.121 -0.388 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.562 -9.093 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.272 -11.116 0.992 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.515 -10.926 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.277 -10.459 2.314 1.00 0.00 H new ATOM 387 N GLU A 25 -10.708 -6.976 -1.040 1.00 0.00 N ATOM 388 CA GLU A 25 -10.783 -5.737 -1.873 1.00 0.00 C ATOM 389 C GLU A 25 -12.229 -5.243 -1.946 1.00 0.00 C ATOM 390 O GLU A 25 -12.561 -4.390 -2.745 1.00 0.00 O ATOM 391 CB GLU A 25 -10.285 -6.044 -3.285 1.00 0.00 C ATOM 392 CG GLU A 25 -8.957 -6.799 -3.207 1.00 0.00 C ATOM 393 CD GLU A 25 -8.454 -7.099 -4.619 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.028 -6.571 -5.557 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.500 -7.852 -4.741 1.00 0.00 O ATOM 0 H GLU A 25 -10.840 -7.848 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.161 -4.965 -1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.023 -6.641 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.156 -5.118 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.220 -6.205 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.087 -7.728 -2.651 1.00 0.00 H new ATOM 402 N LYS A 26 -13.093 -5.764 -1.119 1.00 0.00 N ATOM 403 CA LYS A 26 -14.512 -5.317 -1.142 1.00 0.00 C ATOM 404 C LYS A 26 -14.645 -4.111 -0.219 1.00 0.00 C ATOM 405 O LYS A 26 -15.327 -3.150 -0.518 1.00 0.00 O ATOM 406 CB LYS A 26 -15.413 -6.462 -0.658 1.00 0.00 C ATOM 407 CG LYS A 26 -14.862 -7.792 -1.168 1.00 0.00 C ATOM 408 CD LYS A 26 -14.721 -7.733 -2.688 1.00 0.00 C ATOM 409 CE LYS A 26 -14.448 -9.136 -3.214 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.439 -9.119 -4.705 1.00 0.00 N ATOM 0 H LYS A 26 -12.876 -6.481 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.814 -5.042 -2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.458 -6.468 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.431 -6.315 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.895 -7.997 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.528 -8.607 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.631 -7.333 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.908 -7.062 -2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.490 -9.496 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.211 -9.825 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.252 -10.078 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.363 -8.793 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.695 -8.474 -5.040 1.00 0.00 H new ATOM 424 N GLU A 27 -13.974 -4.150 0.898 1.00 0.00 N ATOM 425 CA GLU A 27 -14.036 -3.006 1.840 1.00 0.00 C ATOM 426 C GLU A 27 -13.145 -1.886 1.304 1.00 0.00 C ATOM 427 O GLU A 27 -13.207 -0.757 1.750 1.00 0.00 O ATOM 428 CB GLU A 27 -13.535 -3.445 3.218 1.00 0.00 C ATOM 429 CG GLU A 27 -14.408 -4.587 3.743 1.00 0.00 C ATOM 430 CD GLU A 27 -15.818 -4.065 4.026 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.928 -2.994 4.597 1.00 0.00 O ATOM 432 OE2 GLU A 27 -16.763 -4.747 3.664 1.00 0.00 O ATOM 0 H GLU A 27 -13.385 -4.927 1.197 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.064 -2.655 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.496 -3.769 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.563 -2.604 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.448 -5.394 3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.973 -5.002 4.652 1.00 0.00 H new ATOM 439 N ILE A 28 -12.312 -2.197 0.348 1.00 0.00 N ATOM 440 CA ILE A 28 -11.406 -1.174 -0.231 1.00 0.00 C ATOM 441 C ILE A 28 -12.130 -0.416 -1.342 1.00 0.00 C ATOM 442 O ILE A 28 -12.486 0.736 -1.192 1.00 0.00 O ATOM 443 CB ILE A 28 -10.191 -1.877 -0.830 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.399 -2.605 0.269 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.304 -0.853 -1.531 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.951 -1.630 1.369 1.00 0.00 C ATOM 0 H ILE A 28 -12.223 -3.128 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.098 -0.476 0.548 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.528 -2.616 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.015 -3.391 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.526 -3.090 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.436 -1.355 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.869 -0.365 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.972 -0.106 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.394 -2.173 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.315 -0.859 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.827 -1.165 1.822 1.00 0.00 H new ATOM 458 N LEU A 29 -12.339 -1.055 -2.464 1.00 0.00 N ATOM 459 CA LEU A 29 -13.031 -0.374 -3.595 1.00 0.00 C ATOM 460 C LEU A 29 -14.265 0.355 -3.063 1.00 0.00 C ATOM 461 O LEU A 29 -14.644 1.402 -3.553 1.00 0.00 O ATOM 462 CB LEU A 29 -13.446 -1.407 -4.650 1.00 0.00 C ATOM 463 CG LEU A 29 -12.215 -2.202 -5.116 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.669 -3.477 -5.830 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.369 -1.358 -6.081 1.00 0.00 C ATOM 0 H LEU A 29 -12.060 -2.019 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.355 0.346 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.192 -2.085 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.909 -0.906 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.613 -2.459 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.796 -4.040 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.257 -4.088 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.278 -3.213 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.501 -1.934 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.969 -1.089 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.036 -0.451 -5.575 1.00 0.00 H new ATOM 477 N ASP A 30 -14.879 -0.173 -2.039 1.00 0.00 N ATOM 478 CA ASP A 30 -16.062 0.515 -1.464 1.00 0.00 C ATOM 479 C ASP A 30 -15.568 1.785 -0.779 1.00 0.00 C ATOM 480 O ASP A 30 -16.075 2.871 -0.998 1.00 0.00 O ATOM 481 CB ASP A 30 -16.744 -0.394 -0.440 1.00 0.00 C ATOM 482 CG ASP A 30 -18.048 0.253 0.028 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.258 1.412 -0.286 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.816 -0.423 0.694 1.00 0.00 O ATOM 0 H ASP A 30 -14.613 -1.045 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.783 0.755 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.948 -1.369 -0.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.083 -0.562 0.410 1.00 0.00 H new ATOM 489 N ALA A 31 -14.555 1.657 0.037 1.00 0.00 N ATOM 490 CA ALA A 31 -13.994 2.846 0.730 1.00 0.00 C ATOM 491 C ALA A 31 -13.837 3.983 -0.273 1.00 0.00 C ATOM 492 O ALA A 31 -14.334 5.068 -0.068 1.00 0.00 O ATOM 493 CB ALA A 31 -12.638 2.494 1.328 1.00 0.00 C ATOM 0 H ALA A 31 -14.092 0.774 0.252 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.667 3.158 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.227 3.366 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.756 1.680 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.959 2.184 0.533 1.00 0.00 H new ATOM 499 N PHE A 32 -13.165 3.747 -1.367 1.00 0.00 N ATOM 500 CA PHE A 32 -13.009 4.830 -2.376 1.00 0.00 C ATOM 501 C PHE A 32 -14.392 5.396 -2.698 1.00 0.00 C ATOM 502 O PHE A 32 -14.550 6.575 -2.946 1.00 0.00 O ATOM 503 CB PHE A 32 -12.362 4.271 -3.648 1.00 0.00 C ATOM 504 CG PHE A 32 -10.883 4.060 -3.412 1.00 0.00 C ATOM 505 CD1 PHE A 32 -9.988 5.126 -3.576 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.406 2.800 -3.031 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.619 4.931 -3.357 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.036 2.606 -2.813 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.144 3.671 -2.977 1.00 0.00 C ATOM 0 H PHE A 32 -12.721 2.859 -1.603 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.368 5.618 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.835 3.329 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.514 4.960 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.354 6.098 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.094 1.977 -2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.930 5.753 -3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.668 1.634 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.088 3.521 -2.810 1.00 0.00 H new ATOM 519 N ASP A 33 -15.404 4.570 -2.676 1.00 0.00 N ATOM 520 CA ASP A 33 -16.771 5.082 -2.958 1.00 0.00 C ATOM 521 C ASP A 33 -17.232 5.915 -1.762 1.00 0.00 C ATOM 522 O ASP A 33 -18.288 6.515 -1.779 1.00 0.00 O ATOM 523 CB ASP A 33 -17.732 3.908 -3.179 1.00 0.00 C ATOM 524 CG ASP A 33 -19.007 4.411 -3.858 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.005 4.521 -5.073 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.964 4.678 -3.150 1.00 0.00 O ATOM 0 H ASP A 33 -15.342 3.572 -2.476 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.761 5.697 -3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.256 3.146 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.976 3.440 -2.225 1.00 0.00 H new ATOM 531 N LYS A 34 -16.434 5.947 -0.721 1.00 0.00 N ATOM 532 CA LYS A 34 -16.786 6.738 0.505 1.00 0.00 C ATOM 533 C LYS A 34 -15.875 7.967 0.617 1.00 0.00 C ATOM 534 O LYS A 34 -16.328 9.093 0.550 1.00 0.00 O ATOM 535 CB LYS A 34 -16.583 5.871 1.752 1.00 0.00 C ATOM 536 CG LYS A 34 -17.387 4.573 1.626 1.00 0.00 C ATOM 537 CD LYS A 34 -17.107 3.658 2.841 1.00 0.00 C ATOM 538 CE LYS A 34 -17.243 2.184 2.443 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.664 1.887 2.105 1.00 0.00 N ATOM 0 H LYS A 34 -15.543 5.453 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.827 7.054 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.525 5.642 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.898 6.418 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.452 4.799 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.120 4.058 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.104 3.847 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.804 3.889 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.602 1.967 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.912 1.544 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.874 0.893 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.289 2.506 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.822 2.054 1.091 1.00 0.00 H new ATOM 553 N MET A 35 -14.596 7.765 0.807 1.00 0.00 N ATOM 554 CA MET A 35 -13.669 8.931 0.942 1.00 0.00 C ATOM 555 C MET A 35 -13.590 9.655 -0.399 1.00 0.00 C ATOM 556 O MET A 35 -13.739 10.852 -0.479 1.00 0.00 O ATOM 557 CB MET A 35 -12.245 8.488 1.345 1.00 0.00 C ATOM 558 CG MET A 35 -12.269 7.338 2.373 1.00 0.00 C ATOM 559 SD MET A 35 -10.794 6.308 2.147 1.00 0.00 S ATOM 560 CE MET A 35 -11.213 5.661 0.504 1.00 0.00 C ATOM 0 H MET A 35 -14.154 6.848 0.874 1.00 0.00 H new ATOM 0 HA MET A 35 -14.059 9.584 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.699 8.170 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.705 9.338 1.763 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.295 7.740 3.386 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.170 6.738 2.245 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.126 4.574 0.508 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.236 5.942 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.530 6.077 -0.236 1.00 0.00 H new ATOM 570 N CYS A 36 -13.353 8.932 -1.456 1.00 0.00 N ATOM 571 CA CYS A 36 -13.265 9.579 -2.789 1.00 0.00 C ATOM 572 C CYS A 36 -14.680 10.005 -3.207 1.00 0.00 C ATOM 573 O CYS A 36 -14.921 10.391 -4.334 1.00 0.00 O ATOM 574 CB CYS A 36 -12.649 8.574 -3.790 1.00 0.00 C ATOM 575 SG CYS A 36 -11.048 9.192 -4.383 1.00 0.00 S ATOM 0 H CYS A 36 -13.217 7.921 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.628 10.463 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.519 7.604 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.325 8.425 -4.632 1.00 0.00 H new ATOM 580 N SER A 37 -15.609 9.948 -2.288 1.00 0.00 N ATOM 581 CA SER A 37 -17.007 10.358 -2.596 1.00 0.00 C ATOM 582 C SER A 37 -17.119 11.879 -2.455 1.00 0.00 C ATOM 583 O SER A 37 -17.584 12.568 -3.340 1.00 0.00 O ATOM 584 CB SER A 37 -17.964 9.675 -1.613 1.00 0.00 C ATOM 585 OG SER A 37 -19.251 9.570 -2.207 1.00 0.00 O ATOM 0 H SER A 37 -15.455 9.632 -1.330 1.00 0.00 H new ATOM 0 HA SER A 37 -17.268 10.064 -3.613 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.590 8.685 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.023 10.248 -0.688 1.00 0.00 H new ATOM 0 HG SER A 37 -19.865 9.132 -1.581 1.00 0.00 H new ATOM 591 N LYS A 38 -16.685 12.401 -1.338 1.00 0.00 N ATOM 592 CA LYS A 38 -16.751 13.871 -1.117 1.00 0.00 C ATOM 593 C LYS A 38 -15.863 14.572 -2.144 1.00 0.00 C ATOM 594 O LYS A 38 -15.980 15.759 -2.373 1.00 0.00 O ATOM 595 CB LYS A 38 -16.246 14.186 0.298 1.00 0.00 C ATOM 596 CG LYS A 38 -14.758 13.781 0.429 1.00 0.00 C ATOM 597 CD LYS A 38 -14.457 13.310 1.860 1.00 0.00 C ATOM 598 CE LYS A 38 -12.958 13.001 2.003 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.419 12.499 0.708 1.00 0.00 N ATOM 0 H LYS A 38 -16.286 11.867 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.778 14.220 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.362 15.250 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.844 13.650 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.527 12.985 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.120 14.628 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.749 14.080 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.044 12.421 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.420 13.899 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.804 12.257 2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.462 12.118 0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.038 11.748 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.379 13.280 0.022 1.00 0.00 H new ATOM 613 N LEU A 39 -14.974 13.845 -2.764 1.00 0.00 N ATOM 614 CA LEU A 39 -14.078 14.477 -3.777 1.00 0.00 C ATOM 615 C LEU A 39 -14.968 15.120 -4.866 1.00 0.00 C ATOM 616 O LEU A 39 -15.975 14.542 -5.223 1.00 0.00 O ATOM 617 CB LEU A 39 -13.172 13.384 -4.437 1.00 0.00 C ATOM 618 CG LEU A 39 -11.652 13.673 -4.244 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.076 12.768 -3.148 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.912 13.405 -5.565 1.00 0.00 C ATOM 0 H LEU A 39 -14.829 12.846 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.444 15.226 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.411 12.411 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.395 13.326 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.523 14.715 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.014 12.979 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.597 12.957 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.207 11.724 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.849 13.606 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.051 12.364 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.311 14.055 -6.344 1.00 0.00 H new ATOM 632 N PRO A 40 -14.578 16.260 -5.405 1.00 0.00 N ATOM 633 CA PRO A 40 -15.366 16.881 -6.478 1.00 0.00 C ATOM 634 C PRO A 40 -15.615 15.833 -7.571 1.00 0.00 C ATOM 635 O PRO A 40 -14.826 14.929 -7.764 1.00 0.00 O ATOM 636 CB PRO A 40 -14.491 18.046 -6.991 1.00 0.00 C ATOM 637 CG PRO A 40 -13.286 18.186 -6.017 1.00 0.00 C ATOM 638 CD PRO A 40 -13.367 17.014 -5.013 1.00 0.00 C ATOM 0 HA PRO A 40 -16.341 17.245 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.144 17.848 -8.005 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.066 18.971 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.344 18.158 -6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.323 19.142 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.477 16.387 -5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.442 17.376 -3.988 1.00 0.00 H new ATOM 646 N LYS A 41 -16.702 15.935 -8.274 1.00 0.00 N ATOM 647 CA LYS A 41 -16.994 14.938 -9.332 1.00 0.00 C ATOM 648 C LYS A 41 -15.777 14.734 -10.236 1.00 0.00 C ATOM 649 O LYS A 41 -15.294 13.636 -10.421 1.00 0.00 O ATOM 650 CB LYS A 41 -18.154 15.447 -10.171 1.00 0.00 C ATOM 651 CG LYS A 41 -18.686 14.307 -11.036 1.00 0.00 C ATOM 652 CD LYS A 41 -19.877 14.808 -11.868 1.00 0.00 C ATOM 653 CE LYS A 41 -19.378 15.461 -13.163 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.545 15.853 -14.003 1.00 0.00 N ATOM 0 H LYS A 41 -17.403 16.668 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.244 13.986 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.945 15.829 -9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.828 16.275 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.899 13.937 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.994 13.472 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.541 13.977 -12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.458 15.526 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.772 16.337 -12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.739 14.768 -13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.207 16.296 -14.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.106 15.008 -14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.138 16.529 -13.480 1.00 0.00 H new ATOM 668 N SER A 42 -15.307 15.791 -10.817 1.00 0.00 N ATOM 669 CA SER A 42 -14.141 15.701 -11.745 1.00 0.00 C ATOM 670 C SER A 42 -13.022 14.852 -11.149 1.00 0.00 C ATOM 671 O SER A 42 -12.637 13.837 -11.695 1.00 0.00 O ATOM 672 CB SER A 42 -13.588 17.102 -11.971 1.00 0.00 C ATOM 673 OG SER A 42 -14.641 17.967 -12.377 1.00 0.00 O ATOM 0 H SER A 42 -15.682 16.731 -10.691 1.00 0.00 H new ATOM 0 HA SER A 42 -14.481 15.245 -12.675 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.129 17.475 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.808 17.078 -12.732 1.00 0.00 H new ATOM 0 HG SER A 42 -14.286 18.869 -12.521 1.00 0.00 H new ATOM 679 N LEU A 43 -12.471 15.283 -10.055 1.00 0.00 N ATOM 680 CA LEU A 43 -11.347 14.535 -9.441 1.00 0.00 C ATOM 681 C LEU A 43 -11.858 13.279 -8.729 1.00 0.00 C ATOM 682 O LEU A 43 -11.084 12.509 -8.200 1.00 0.00 O ATOM 683 CB LEU A 43 -10.617 15.450 -8.453 1.00 0.00 C ATOM 684 CG LEU A 43 -9.958 16.614 -9.205 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.506 17.672 -8.193 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.742 16.121 -10.014 1.00 0.00 C ATOM 0 H LEU A 43 -12.753 16.127 -9.556 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.656 14.219 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.320 15.835 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.861 14.883 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.682 17.043 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.037 18.503 -8.720 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.370 18.037 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.789 17.230 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.289 16.962 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.010 15.679 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.066 15.373 -10.737 1.00 0.00 H new ATOM 698 N SER A 44 -13.144 13.034 -8.733 1.00 0.00 N ATOM 699 CA SER A 44 -13.661 11.802 -8.082 1.00 0.00 C ATOM 700 C SER A 44 -13.598 10.707 -9.124 1.00 0.00 C ATOM 701 O SER A 44 -13.407 9.541 -8.830 1.00 0.00 O ATOM 702 CB SER A 44 -15.108 11.992 -7.641 1.00 0.00 C ATOM 703 OG SER A 44 -15.654 10.733 -7.269 1.00 0.00 O ATOM 0 H SER A 44 -13.852 13.633 -9.158 1.00 0.00 H new ATOM 0 HA SER A 44 -13.071 11.560 -7.198 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.156 12.685 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.692 12.430 -8.450 1.00 0.00 H new ATOM 0 HG SER A 44 -15.453 10.555 -6.327 1.00 0.00 H new ATOM 709 N GLU A 45 -13.743 11.096 -10.359 1.00 0.00 N ATOM 710 CA GLU A 45 -13.686 10.115 -11.459 1.00 0.00 C ATOM 711 C GLU A 45 -12.223 9.813 -11.765 1.00 0.00 C ATOM 712 O GLU A 45 -11.883 8.749 -12.238 1.00 0.00 O ATOM 713 CB GLU A 45 -14.361 10.697 -12.703 1.00 0.00 C ATOM 714 CG GLU A 45 -15.845 10.934 -12.413 1.00 0.00 C ATOM 715 CD GLU A 45 -16.562 9.590 -12.283 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.548 8.838 -13.244 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.115 9.335 -11.226 1.00 0.00 O ATOM 0 H GLU A 45 -13.900 12.061 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.204 9.200 -11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.881 11.633 -12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.248 10.014 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.959 11.509 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.294 11.521 -13.214 1.00 0.00 H new ATOM 724 N GLU A 46 -11.355 10.753 -11.498 1.00 0.00 N ATOM 725 CA GLU A 46 -9.906 10.541 -11.774 1.00 0.00 C ATOM 726 C GLU A 46 -9.244 9.816 -10.598 1.00 0.00 C ATOM 727 O GLU A 46 -8.253 9.131 -10.765 1.00 0.00 O ATOM 728 CB GLU A 46 -9.226 11.896 -11.978 1.00 0.00 C ATOM 729 CG GLU A 46 -9.855 12.609 -13.176 1.00 0.00 C ATOM 730 CD GLU A 46 -9.044 13.863 -13.507 1.00 0.00 C ATOM 731 OE1 GLU A 46 -8.274 14.287 -12.662 1.00 0.00 O ATOM 732 OE2 GLU A 46 -9.207 14.378 -14.601 1.00 0.00 O ATOM 0 H GLU A 46 -11.590 11.662 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.801 9.933 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.332 12.507 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.158 11.757 -12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.881 11.942 -14.037 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.887 12.879 -12.951 1.00 0.00 H new ATOM 739 N CYS A 47 -9.775 9.952 -9.411 1.00 0.00 N ATOM 740 CA CYS A 47 -9.153 9.260 -8.246 1.00 0.00 C ATOM 741 C CYS A 47 -9.543 7.784 -8.285 1.00 0.00 C ATOM 742 O CYS A 47 -8.798 6.916 -7.868 1.00 0.00 O ATOM 743 CB CYS A 47 -9.617 9.912 -6.935 1.00 0.00 C ATOM 744 SG CYS A 47 -11.215 9.243 -6.397 1.00 0.00 S ATOM 0 H CYS A 47 -10.604 10.507 -9.200 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.068 9.347 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.870 9.745 -6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.699 10.990 -7.071 1.00 0.00 H new ATOM 749 N GLN A 48 -10.695 7.489 -8.822 1.00 0.00 N ATOM 750 CA GLN A 48 -11.127 6.079 -8.926 1.00 0.00 C ATOM 751 C GLN A 48 -10.510 5.518 -10.194 1.00 0.00 C ATOM 752 O GLN A 48 -10.361 4.323 -10.359 1.00 0.00 O ATOM 753 CB GLN A 48 -12.656 6.013 -9.016 1.00 0.00 C ATOM 754 CG GLN A 48 -13.283 6.319 -7.645 1.00 0.00 C ATOM 755 CD GLN A 48 -14.698 5.738 -7.580 1.00 0.00 C ATOM 756 OE1 GLN A 48 -15.663 6.421 -7.861 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.860 4.494 -7.220 1.00 0.00 N ATOM 0 H GLN A 48 -11.355 8.172 -9.193 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.811 5.506 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.015 6.728 -9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.965 5.024 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.669 5.894 -6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.315 7.396 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.049 3.922 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.797 4.094 -7.174 1.00 0.00 H new ATOM 766 N GLU A 49 -10.131 6.386 -11.091 1.00 0.00 N ATOM 767 CA GLU A 49 -9.504 5.919 -12.340 1.00 0.00 C ATOM 768 C GLU A 49 -8.194 5.222 -11.986 1.00 0.00 C ATOM 769 O GLU A 49 -7.915 4.127 -12.436 1.00 0.00 O ATOM 770 CB GLU A 49 -9.224 7.112 -13.258 1.00 0.00 C ATOM 771 CG GLU A 49 -8.838 6.618 -14.653 1.00 0.00 C ATOM 772 CD GLU A 49 -7.421 6.043 -14.624 1.00 0.00 C ATOM 773 OE1 GLU A 49 -6.494 6.813 -14.434 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.287 4.841 -14.792 1.00 0.00 O ATOM 0 H GLU A 49 -10.232 7.397 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.169 5.229 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.106 7.749 -13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.420 7.720 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.543 5.857 -14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.893 7.439 -15.368 1.00 0.00 H new ATOM 781 N VAL A 50 -7.387 5.846 -11.169 1.00 0.00 N ATOM 782 CA VAL A 50 -6.103 5.209 -10.782 1.00 0.00 C ATOM 783 C VAL A 50 -6.396 3.956 -9.963 1.00 0.00 C ATOM 784 O VAL A 50 -5.756 2.946 -10.133 1.00 0.00 O ATOM 785 CB VAL A 50 -5.252 6.171 -9.959 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.885 5.528 -9.711 1.00 0.00 C ATOM 787 CG2 VAL A 50 -5.073 7.480 -10.729 1.00 0.00 C ATOM 0 H VAL A 50 -7.563 6.763 -10.758 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.551 4.946 -11.684 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.740 6.381 -9.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.266 6.205 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.016 4.592 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.399 5.328 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.465 8.168 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.578 7.279 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.049 7.928 -10.917 1.00 0.00 H new ATOM 797 N VAL A 51 -7.370 3.999 -9.085 1.00 0.00 N ATOM 798 CA VAL A 51 -7.706 2.777 -8.284 1.00 0.00 C ATOM 799 C VAL A 51 -7.806 1.593 -9.243 1.00 0.00 C ATOM 800 O VAL A 51 -7.231 0.548 -9.015 1.00 0.00 O ATOM 801 CB VAL A 51 -9.047 3.001 -7.571 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.550 1.691 -6.963 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.867 4.037 -6.459 1.00 0.00 C ATOM 0 H VAL A 51 -7.943 4.820 -8.889 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.939 2.578 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.776 3.360 -8.297 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.502 1.865 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.686 0.952 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.821 1.321 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.819 4.196 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.130 3.676 -5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.524 4.977 -6.890 1.00 0.00 H new ATOM 813 N ASP A 52 -8.495 1.762 -10.338 1.00 0.00 N ATOM 814 CA ASP A 52 -8.579 0.655 -11.324 1.00 0.00 C ATOM 815 C ASP A 52 -7.147 0.282 -11.707 1.00 0.00 C ATOM 816 O ASP A 52 -6.827 -0.865 -11.939 1.00 0.00 O ATOM 817 CB ASP A 52 -9.345 1.120 -12.564 1.00 0.00 C ATOM 818 CG ASP A 52 -10.804 1.388 -12.192 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.558 0.433 -12.100 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.144 2.545 -12.003 1.00 0.00 O ATOM 0 H ASP A 52 -8.999 2.613 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.103 -0.202 -10.902 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.890 2.024 -12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.291 0.360 -13.344 1.00 0.00 H new ATOM 825 N THR A 53 -6.277 1.262 -11.743 1.00 0.00 N ATOM 826 CA THR A 53 -4.849 0.993 -12.075 1.00 0.00 C ATOM 827 C THR A 53 -4.112 0.569 -10.801 1.00 0.00 C ATOM 828 O THR A 53 -3.090 -0.086 -10.850 1.00 0.00 O ATOM 829 CB THR A 53 -4.219 2.236 -12.716 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.908 2.531 -13.922 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.742 1.973 -13.032 1.00 0.00 C ATOM 0 H THR A 53 -6.499 2.240 -11.555 1.00 0.00 H new ATOM 0 HA THR A 53 -4.774 0.181 -12.799 1.00 0.00 H new ATOM 0 HB THR A 53 -4.292 3.075 -12.025 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.513 3.326 -14.338 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.303 2.861 -13.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.209 1.736 -12.111 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.662 1.134 -13.723 1.00 0.00 H new ATOM 839 N TYR A 54 -4.641 0.927 -9.657 1.00 0.00 N ATOM 840 CA TYR A 54 -4.008 0.546 -8.356 1.00 0.00 C ATOM 841 C TYR A 54 -5.077 -0.057 -7.454 1.00 0.00 C ATOM 842 O TYR A 54 -5.601 0.594 -6.572 1.00 0.00 O ATOM 843 CB TYR A 54 -3.430 1.772 -7.663 1.00 0.00 C ATOM 844 CG TYR A 54 -2.221 2.250 -8.418 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.393 2.825 -9.667 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.944 2.146 -7.862 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.299 3.308 -10.381 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.166 2.621 -8.573 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.012 3.207 -9.836 1.00 0.00 C ATOM 850 OH TYR A 54 1.078 3.683 -10.537 1.00 0.00 O ATOM 0 H TYR A 54 -5.497 1.475 -9.568 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.207 -0.168 -8.547 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.179 2.563 -7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.158 1.528 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.384 2.899 -10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.812 1.701 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.442 3.759 -11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.156 2.536 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 54 1.893 3.535 -10.014 1.00 0.00 H new ATOM 860 N GLY A 55 -5.411 -1.292 -7.671 1.00 0.00 N ATOM 861 CA GLY A 55 -6.447 -1.955 -6.829 1.00 0.00 C ATOM 862 C GLY A 55 -6.106 -3.437 -6.661 1.00 0.00 C ATOM 863 O GLY A 55 -5.357 -3.818 -5.798 1.00 0.00 O ATOM 0 H GLY A 55 -5.009 -1.880 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.500 -1.472 -5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.428 -1.848 -7.292 1.00 0.00 H new ATOM 867 N SER A 56 -6.652 -4.292 -7.466 1.00 0.00 N ATOM 868 CA SER A 56 -6.340 -5.737 -7.296 1.00 0.00 C ATOM 869 C SER A 56 -4.825 -5.945 -7.147 1.00 0.00 C ATOM 870 O SER A 56 -4.381 -6.962 -6.649 1.00 0.00 O ATOM 871 CB SER A 56 -6.851 -6.521 -8.503 1.00 0.00 C ATOM 872 OG SER A 56 -6.273 -7.820 -8.499 1.00 0.00 O ATOM 0 H SER A 56 -7.293 -4.063 -8.226 1.00 0.00 H new ATOM 0 HA SER A 56 -6.834 -6.097 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.938 -6.594 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.595 -5.999 -9.425 1.00 0.00 H new ATOM 0 HG SER A 56 -6.600 -8.326 -9.272 1.00 0.00 H new ATOM 878 N SER A 57 -4.020 -4.983 -7.541 1.00 0.00 N ATOM 879 CA SER A 57 -2.540 -5.146 -7.387 1.00 0.00 C ATOM 880 C SER A 57 -2.115 -4.526 -6.064 1.00 0.00 C ATOM 881 O SER A 57 -1.980 -5.220 -5.084 1.00 0.00 O ATOM 882 CB SER A 57 -1.796 -4.446 -8.529 1.00 0.00 C ATOM 883 OG SER A 57 -1.969 -5.189 -9.728 1.00 0.00 O ATOM 0 H SER A 57 -4.322 -4.102 -7.958 1.00 0.00 H new ATOM 0 HA SER A 57 -2.296 -6.208 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.175 -3.432 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.736 -4.362 -8.290 1.00 0.00 H new ATOM 0 HG SER A 57 -1.495 -4.743 -10.461 1.00 0.00 H new ATOM 889 N ILE A 58 -1.924 -3.222 -6.033 1.00 0.00 N ATOM 890 CA ILE A 58 -1.512 -2.507 -4.774 1.00 0.00 C ATOM 891 C ILE A 58 -1.977 -3.278 -3.546 1.00 0.00 C ATOM 892 O ILE A 58 -1.241 -3.479 -2.602 1.00 0.00 O ATOM 893 CB ILE A 58 -2.162 -1.122 -4.778 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.695 -0.299 -3.563 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.679 -1.268 -4.729 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.620 0.915 -3.377 1.00 0.00 C ATOM 0 H ILE A 58 -2.039 -2.612 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.426 -2.425 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.866 -0.605 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.706 -0.918 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.667 0.033 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.140 -0.280 -4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.019 -1.830 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.964 -1.799 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.288 1.497 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.587 1.538 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.641 0.572 -3.211 1.00 0.00 H new ATOM 908 N LEU A 59 -3.199 -3.710 -3.556 1.00 0.00 N ATOM 909 CA LEU A 59 -3.709 -4.473 -2.384 1.00 0.00 C ATOM 910 C LEU A 59 -3.101 -5.885 -2.377 1.00 0.00 C ATOM 911 O LEU A 59 -2.558 -6.322 -1.388 1.00 0.00 O ATOM 912 CB LEU A 59 -5.248 -4.605 -2.408 1.00 0.00 C ATOM 913 CG LEU A 59 -5.913 -3.312 -2.882 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.389 -3.583 -3.171 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.788 -2.213 -1.817 1.00 0.00 C ATOM 0 H LEU A 59 -3.866 -3.572 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.420 -3.922 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.534 -5.425 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.608 -4.857 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.413 -2.970 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.868 -2.664 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.474 -4.344 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.879 -3.935 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.268 -1.302 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.273 -2.541 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.734 -2.015 -1.621 1.00 0.00 H new ATOM 927 N SER A 60 -3.215 -6.611 -3.465 1.00 0.00 N ATOM 928 CA SER A 60 -2.673 -8.009 -3.494 1.00 0.00 C ATOM 929 C SER A 60 -1.167 -8.022 -3.791 1.00 0.00 C ATOM 930 O SER A 60 -0.560 -9.069 -3.900 1.00 0.00 O ATOM 931 CB SER A 60 -3.401 -8.802 -4.581 1.00 0.00 C ATOM 932 OG SER A 60 -4.790 -8.507 -4.528 1.00 0.00 O ATOM 0 H SER A 60 -3.657 -6.299 -4.330 1.00 0.00 H new ATOM 0 HA SER A 60 -2.832 -8.458 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.001 -8.547 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.239 -9.870 -4.438 1.00 0.00 H new ATOM 0 HG SER A 60 -5.021 -7.888 -5.252 1.00 0.00 H new ATOM 938 N ILE A 61 -0.563 -6.881 -3.954 1.00 0.00 N ATOM 939 CA ILE A 61 0.892 -6.844 -4.280 1.00 0.00 C ATOM 940 C ILE A 61 1.731 -7.156 -3.024 1.00 0.00 C ATOM 941 O ILE A 61 2.437 -8.142 -2.986 1.00 0.00 O ATOM 942 CB ILE A 61 1.214 -5.453 -4.917 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.267 -5.573 -6.022 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.676 -4.419 -3.893 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.643 -5.844 -5.430 1.00 0.00 C ATOM 0 H ILE A 61 -1.013 -5.969 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 61 1.154 -7.613 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 61 0.274 -5.104 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.995 -6.378 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.293 -4.654 -6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.884 -3.475 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.893 -4.269 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.581 -4.774 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.375 -5.925 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.922 -5.025 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.619 -6.776 -4.865 1.00 0.00 H new ATOM 957 N LEU A 62 1.667 -6.341 -2.011 1.00 0.00 N ATOM 958 CA LEU A 62 2.481 -6.592 -0.772 1.00 0.00 C ATOM 959 C LEU A 62 2.351 -8.043 -0.303 1.00 0.00 C ATOM 960 O LEU A 62 3.100 -8.499 0.539 1.00 0.00 O ATOM 961 CB LEU A 62 2.035 -5.633 0.325 1.00 0.00 C ATOM 962 CG LEU A 62 2.169 -4.198 -0.196 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.632 -3.219 0.852 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.639 -3.872 -0.520 1.00 0.00 C ATOM 0 H LEU A 62 1.085 -5.504 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 62 3.532 -6.418 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.003 -5.837 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.645 -5.770 1.218 1.00 0.00 H new ATOM 0 HG LEU A 62 1.587 -4.102 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.728 -2.199 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.582 -3.436 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.203 -3.324 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.712 -2.849 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.242 -3.977 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.004 -4.559 -1.283 1.00 0.00 H new ATOM 976 N LEU A 63 1.403 -8.764 -0.817 1.00 0.00 N ATOM 977 CA LEU A 63 1.208 -10.167 -0.387 1.00 0.00 C ATOM 978 C LEU A 63 2.181 -11.137 -1.076 1.00 0.00 C ATOM 979 O LEU A 63 2.839 -11.915 -0.414 1.00 0.00 O ATOM 980 CB LEU A 63 -0.213 -10.562 -0.755 1.00 0.00 C ATOM 981 CG LEU A 63 -1.193 -9.838 0.171 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.176 -8.325 -0.087 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.604 -10.396 -0.048 1.00 0.00 C ATOM 0 H LEU A 63 0.747 -8.436 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 63 1.394 -10.229 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.417 -10.303 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.338 -11.641 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.890 -10.006 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.881 -7.834 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.173 -7.937 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.462 -8.129 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.305 -9.882 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.900 -10.240 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.612 -11.463 0.175 1.00 0.00 H new ATOM 995 N GLU A 64 2.235 -11.149 -2.391 1.00 0.00 N ATOM 996 CA GLU A 64 3.124 -12.140 -3.097 1.00 0.00 C ATOM 997 C GLU A 64 4.007 -11.481 -4.156 1.00 0.00 C ATOM 998 O GLU A 64 5.213 -11.631 -4.141 1.00 0.00 O ATOM 999 CB GLU A 64 2.233 -13.159 -3.800 1.00 0.00 C ATOM 1000 CG GLU A 64 1.385 -13.901 -2.765 1.00 0.00 C ATOM 1001 CD GLU A 64 2.279 -14.830 -1.942 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.813 -15.766 -2.515 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.416 -14.590 -0.754 1.00 0.00 O ATOM 0 H GLU A 64 1.709 -10.524 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 64 3.773 -12.598 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.588 -12.657 -4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.845 -13.867 -4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.884 -13.187 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.606 -14.477 -3.264 1.00 0.00 H new ATOM 1010 N GLU A 65 3.421 -10.799 -5.100 1.00 0.00 N ATOM 1011 CA GLU A 65 4.234 -10.178 -6.188 1.00 0.00 C ATOM 1012 C GLU A 65 5.457 -9.479 -5.611 1.00 0.00 C ATOM 1013 O GLU A 65 6.384 -9.136 -6.318 1.00 0.00 O ATOM 1014 CB GLU A 65 3.380 -9.174 -6.960 1.00 0.00 C ATOM 1015 CG GLU A 65 2.006 -9.782 -7.245 1.00 0.00 C ATOM 1016 CD GLU A 65 1.270 -8.922 -8.275 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.935 -8.347 -9.121 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.054 -8.852 -8.200 1.00 0.00 O ATOM 0 H GLU A 65 2.415 -10.644 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 65 4.571 -10.964 -6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.270 -8.256 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.872 -8.906 -7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.118 -10.800 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.425 -9.842 -6.325 1.00 0.00 H new ATOM 1025 N VAL A 66 5.464 -9.265 -4.336 1.00 0.00 N ATOM 1026 CA VAL A 66 6.623 -8.582 -3.696 1.00 0.00 C ATOM 1027 C VAL A 66 6.763 -9.043 -2.237 1.00 0.00 C ATOM 1028 O VAL A 66 5.795 -9.105 -1.504 1.00 0.00 O ATOM 1029 CB VAL A 66 6.358 -7.074 -3.755 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.334 -6.686 -2.687 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.664 -6.290 -3.544 1.00 0.00 C ATOM 0 H VAL A 66 4.714 -9.533 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 66 7.550 -8.825 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 66 5.961 -6.825 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.149 -5.613 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.402 -7.223 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.720 -6.946 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.458 -5.221 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.084 -6.538 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.378 -6.555 -4.324 1.00 0.00 H new ATOM 1041 N SER A 67 7.957 -9.349 -1.802 1.00 0.00 N ATOM 1042 CA SER A 67 8.138 -9.780 -0.387 1.00 0.00 C ATOM 1043 C SER A 67 8.111 -8.520 0.501 1.00 0.00 C ATOM 1044 O SER A 67 8.495 -7.465 0.043 1.00 0.00 O ATOM 1045 CB SER A 67 9.487 -10.490 -0.238 1.00 0.00 C ATOM 1046 OG SER A 67 9.366 -11.828 -0.702 1.00 0.00 O ATOM 0 H SER A 67 8.809 -9.319 -2.362 1.00 0.00 H new ATOM 0 HA SER A 67 7.345 -10.467 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.253 -9.963 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.802 -10.482 0.805 1.00 0.00 H new ATOM 0 HG SER A 67 10.228 -12.285 -0.610 1.00 0.00 H new ATOM 1052 N PRO A 68 7.659 -8.635 1.734 1.00 0.00 N ATOM 1053 CA PRO A 68 7.595 -7.464 2.632 1.00 0.00 C ATOM 1054 C PRO A 68 8.987 -6.831 2.793 1.00 0.00 C ATOM 1055 O PRO A 68 9.118 -5.706 3.242 1.00 0.00 O ATOM 1056 CB PRO A 68 7.063 -8.021 3.974 1.00 0.00 C ATOM 1057 CG PRO A 68 6.955 -9.566 3.825 1.00 0.00 C ATOM 1058 CD PRO A 68 7.193 -9.902 2.338 1.00 0.00 C ATOM 0 HA PRO A 68 6.951 -6.675 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.735 -7.760 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.091 -7.589 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.692 -10.065 4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.973 -9.915 4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.936 -10.691 2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.279 -10.255 1.861 1.00 0.00 H new ATOM 1066 N GLU A 69 10.030 -7.535 2.431 1.00 0.00 N ATOM 1067 CA GLU A 69 11.403 -6.953 2.575 1.00 0.00 C ATOM 1068 C GLU A 69 11.722 -6.103 1.344 1.00 0.00 C ATOM 1069 O GLU A 69 12.066 -4.942 1.455 1.00 0.00 O ATOM 1070 CB GLU A 69 12.458 -8.075 2.746 1.00 0.00 C ATOM 1071 CG GLU A 69 11.795 -9.353 3.282 1.00 0.00 C ATOM 1072 CD GLU A 69 12.845 -10.236 3.967 1.00 0.00 C ATOM 1073 OE1 GLU A 69 13.431 -9.782 4.935 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.044 -11.350 3.510 1.00 0.00 O ATOM 0 H GLU A 69 9.994 -8.479 2.045 1.00 0.00 H new ATOM 0 HA GLU A 69 11.433 -6.326 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.939 -8.280 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.239 -7.747 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.006 -9.095 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.324 -9.900 2.465 1.00 0.00 H new ATOM 1081 N LEU A 70 11.590 -6.657 0.168 1.00 0.00 N ATOM 1082 CA LEU A 70 11.864 -5.860 -1.056 1.00 0.00 C ATOM 1083 C LEU A 70 11.071 -4.559 -0.943 1.00 0.00 C ATOM 1084 O LEU A 70 11.501 -3.504 -1.360 1.00 0.00 O ATOM 1085 CB LEU A 70 11.410 -6.676 -2.279 1.00 0.00 C ATOM 1086 CG LEU A 70 11.233 -5.782 -3.517 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.565 -5.117 -3.860 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.772 -6.645 -4.702 1.00 0.00 C ATOM 0 H LEU A 70 11.305 -7.623 0.006 1.00 0.00 H new ATOM 0 HA LEU A 70 12.924 -5.632 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.144 -7.453 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.469 -7.178 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 70 10.488 -5.014 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.440 -4.483 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.896 -4.509 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.311 -5.884 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.645 -6.016 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.520 -7.410 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.823 -7.122 -4.457 1.00 0.00 H new ATOM 1100 N VAL A 71 9.909 -4.646 -0.367 1.00 0.00 N ATOM 1101 CA VAL A 71 9.060 -3.444 -0.197 1.00 0.00 C ATOM 1102 C VAL A 71 9.844 -2.373 0.553 1.00 0.00 C ATOM 1103 O VAL A 71 10.123 -1.320 0.020 1.00 0.00 O ATOM 1104 CB VAL A 71 7.818 -3.838 0.600 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.996 -2.592 0.932 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.980 -4.818 -0.233 1.00 0.00 C ATOM 0 H VAL A 71 9.508 -5.510 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 71 8.764 -3.048 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 71 8.116 -4.316 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.112 -2.880 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.600 -1.905 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.689 -2.102 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.091 -5.105 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.681 -4.340 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.572 -5.706 -0.454 1.00 0.00 H new ATOM 1116 N CYS A 72 10.209 -2.639 1.785 1.00 0.00 N ATOM 1117 CA CYS A 72 10.991 -1.621 2.569 1.00 0.00 C ATOM 1118 C CYS A 72 12.069 -1.016 1.671 1.00 0.00 C ATOM 1119 O CYS A 72 12.538 0.082 1.897 1.00 0.00 O ATOM 1120 CB CYS A 72 11.643 -2.264 3.798 1.00 0.00 C ATOM 1121 SG CYS A 72 12.510 -0.988 4.747 1.00 0.00 S ATOM 0 H CYS A 72 10.004 -3.507 2.280 1.00 0.00 H new ATOM 0 HA CYS A 72 10.311 -0.841 2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.885 -2.743 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.341 -3.042 3.489 1.00 0.00 H new ATOM 1126 N SER A 73 12.435 -1.713 0.629 1.00 0.00 N ATOM 1127 CA SER A 73 13.449 -1.168 -0.313 1.00 0.00 C ATOM 1128 C SER A 73 12.717 -0.295 -1.339 1.00 0.00 C ATOM 1129 O SER A 73 13.004 0.878 -1.480 1.00 0.00 O ATOM 1130 CB SER A 73 14.179 -2.317 -1.017 1.00 0.00 C ATOM 1131 OG SER A 73 15.473 -1.880 -1.409 1.00 0.00 O ATOM 0 H SER A 73 12.074 -2.637 0.391 1.00 0.00 H new ATOM 0 HA SER A 73 14.189 -0.575 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.259 -3.175 -0.350 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.613 -2.643 -1.889 1.00 0.00 H new ATOM 0 HG SER A 73 16.016 -2.654 -1.666 1.00 0.00 H new ATOM 1137 N MET A 74 11.760 -0.848 -2.047 1.00 0.00 N ATOM 1138 CA MET A 74 11.012 -0.022 -3.039 1.00 0.00 C ATOM 1139 C MET A 74 10.504 1.246 -2.347 1.00 0.00 C ATOM 1140 O MET A 74 10.516 2.319 -2.914 1.00 0.00 O ATOM 1141 CB MET A 74 9.814 -0.810 -3.589 1.00 0.00 C ATOM 1142 CG MET A 74 10.280 -1.885 -4.581 1.00 0.00 C ATOM 1143 SD MET A 74 8.909 -2.316 -5.688 1.00 0.00 S ATOM 1144 CE MET A 74 7.769 -2.952 -4.432 1.00 0.00 C ATOM 0 H MET A 74 11.470 -1.824 -1.980 1.00 0.00 H new ATOM 0 HA MET A 74 11.676 0.237 -3.864 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.272 -1.277 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.120 -0.129 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.128 -1.519 -5.160 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.620 -2.770 -4.043 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.171 -3.758 -4.858 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.338 -3.332 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.111 -2.150 -4.098 1.00 0.00 H new ATOM 1154 N LEU A 75 10.064 1.134 -1.119 1.00 0.00 N ATOM 1155 CA LEU A 75 9.566 2.341 -0.402 1.00 0.00 C ATOM 1156 C LEU A 75 10.715 3.340 -0.270 1.00 0.00 C ATOM 1157 O LEU A 75 10.553 4.427 0.247 1.00 0.00 O ATOM 1158 CB LEU A 75 9.064 1.953 0.995 1.00 0.00 C ATOM 1159 CG LEU A 75 7.923 0.929 0.893 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.440 0.571 2.305 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.754 1.513 0.079 1.00 0.00 C ATOM 0 H LEU A 75 10.029 0.264 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 75 8.743 2.785 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.884 1.535 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.717 2.841 1.523 1.00 0.00 H new ATOM 0 HG LEU A 75 8.288 0.034 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.630 -0.155 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.265 0.144 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.081 1.470 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.952 0.777 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.382 2.412 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.099 1.763 -0.924 1.00 0.00 H new ATOM 1173 N HIS A 76 11.878 2.976 -0.741 1.00 0.00 N ATOM 1174 CA HIS A 76 13.047 3.896 -0.657 1.00 0.00 C ATOM 1175 C HIS A 76 13.146 4.456 0.763 1.00 0.00 C ATOM 1176 O HIS A 76 13.479 5.605 0.979 1.00 0.00 O ATOM 1177 CB HIS A 76 12.876 5.026 -1.708 1.00 0.00 C ATOM 1178 CG HIS A 76 13.972 4.961 -2.744 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.211 5.552 -2.547 1.00 0.00 N ATOM 1180 CD2 HIS A 76 14.027 4.380 -3.986 1.00 0.00 C ATOM 1181 CE1 HIS A 76 15.952 5.314 -3.645 1.00 0.00 C ATOM 1182 NE2 HIS A 76 15.278 4.603 -4.554 1.00 0.00 N ATOM 0 H HIS A 76 12.068 2.076 -1.182 1.00 0.00 H new ATOM 0 HA HIS A 76 13.973 3.364 -0.875 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.904 4.934 -2.193 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.894 5.997 -1.212 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.221 3.832 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.968 5.656 -3.776 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.609 4.291 -5.467 1.00 0.00 H new ATOM 1190 N LEU A 77 12.869 3.636 1.735 1.00 0.00 N ATOM 1191 CA LEU A 77 12.948 4.079 3.141 1.00 0.00 C ATOM 1192 C LEU A 77 14.356 3.787 3.672 1.00 0.00 C ATOM 1193 O LEU A 77 14.760 4.278 4.707 1.00 0.00 O ATOM 1194 CB LEU A 77 11.903 3.297 3.940 1.00 0.00 C ATOM 1195 CG LEU A 77 12.025 3.611 5.422 1.00 0.00 C ATOM 1196 CD1 LEU A 77 11.970 5.129 5.642 1.00 0.00 C ATOM 1197 CD2 LEU A 77 10.869 2.928 6.153 1.00 0.00 C ATOM 0 H LEU A 77 12.587 2.664 1.607 1.00 0.00 H new ATOM 0 HA LEU A 77 12.754 5.148 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.903 3.551 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.036 2.228 3.776 1.00 0.00 H new ATOM 0 HG LEU A 77 12.976 3.245 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.058 5.346 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.791 5.604 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.021 5.516 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.937 3.140 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.922 3.305 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.923 1.851 5.993 1.00 0.00 H new ATOM 1209 N CYS A 78 15.110 2.991 2.960 1.00 0.00 N ATOM 1210 CA CYS A 78 16.496 2.660 3.409 1.00 0.00 C ATOM 1211 C CYS A 78 17.369 2.388 2.177 1.00 0.00 C ATOM 1212 O CYS A 78 18.468 2.892 2.059 1.00 0.00 O ATOM 1213 CB CYS A 78 16.454 1.413 4.311 1.00 0.00 C ATOM 1214 SG CYS A 78 16.348 1.918 6.046 1.00 0.00 S ATOM 0 H CYS A 78 14.825 2.554 2.084 1.00 0.00 H new ATOM 0 HA CYS A 78 16.916 3.493 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 78 15.597 0.792 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 78 17.346 0.807 4.152 1.00 0.00 H new ATOM 1219 N SER A 79 16.889 1.588 1.266 1.00 0.00 N ATOM 1220 CA SER A 79 17.692 1.278 0.050 1.00 0.00 C ATOM 1221 C SER A 79 17.764 2.510 -0.853 1.00 0.00 C ATOM 1222 O SER A 79 16.937 2.706 -1.721 1.00 0.00 O ATOM 1223 CB SER A 79 17.038 0.126 -0.711 1.00 0.00 C ATOM 1224 OG SER A 79 17.124 -1.059 0.070 1.00 0.00 O ATOM 0 H SER A 79 15.976 1.136 1.311 1.00 0.00 H new ATOM 0 HA SER A 79 18.701 0.993 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.995 0.361 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.534 -0.020 -1.671 1.00 0.00 H new ATOM 0 HG SER A 79 16.488 -1.722 -0.271 1.00 0.00 H new ATOM 1230 N GLY A 80 18.757 3.336 -0.663 1.00 0.00 N ATOM 1231 CA GLY A 80 18.897 4.551 -1.519 1.00 0.00 C ATOM 1232 C GLY A 80 19.617 4.158 -2.803 1.00 0.00 C ATOM 1233 O GLY A 80 19.563 4.843 -3.805 1.00 0.00 O ATOM 0 H GLY A 80 19.479 3.222 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.916 4.968 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.457 5.323 -0.992 1.00 0.00 H new ATOM 1237 N LEU A 81 20.280 3.040 -2.765 1.00 0.00 N ATOM 1238 CA LEU A 81 21.018 2.526 -3.948 1.00 0.00 C ATOM 1239 C LEU A 81 20.534 1.116 -4.219 1.00 0.00 C ATOM 1240 O LEU A 81 19.635 0.626 -3.566 1.00 0.00 O ATOM 1241 CB LEU A 81 22.534 2.500 -3.660 1.00 0.00 C ATOM 1242 CG LEU A 81 22.834 2.061 -2.204 1.00 0.00 C ATOM 1243 CD1 LEU A 81 22.409 3.152 -1.191 1.00 0.00 C ATOM 1244 CD2 LEU A 81 22.123 0.728 -1.884 1.00 0.00 C ATOM 0 H LEU A 81 20.343 2.444 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 81 20.840 3.170 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 81 23.025 1.818 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 81 22.955 3.490 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 81 23.911 1.916 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.632 2.815 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.956 4.072 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.339 3.338 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.345 0.435 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 81 21.047 0.852 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.475 -0.045 -2.567 1.00 0.00 H new ATOM 1256 N VAL A 82 21.137 0.436 -5.142 1.00 0.00 N ATOM 1257 CA VAL A 82 20.709 -0.963 -5.387 1.00 0.00 C ATOM 1258 C VAL A 82 21.388 -1.849 -4.322 1.00 0.00 C ATOM 1259 O VAL A 82 22.581 -1.734 -4.127 1.00 0.00 O ATOM 1260 CB VAL A 82 21.132 -1.421 -6.787 1.00 0.00 C ATOM 1261 CG1 VAL A 82 20.115 -0.927 -7.818 1.00 0.00 C ATOM 1262 CG2 VAL A 82 22.513 -0.852 -7.115 1.00 0.00 C ATOM 0 H VAL A 82 21.896 0.779 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 82 19.623 -1.039 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 82 21.173 -2.510 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 82 20.418 -1.254 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 82 19.132 -1.337 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 82 20.070 0.162 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 82 22.814 -1.178 -8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 82 22.474 0.237 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 82 23.237 -1.209 -6.382 1.00 0.00 H new ATOM 1272 N PRO A 83 20.639 -2.694 -3.639 1.00 0.00 N ATOM 1273 CA PRO A 83 21.221 -3.540 -2.588 1.00 0.00 C ATOM 1274 C PRO A 83 22.539 -4.166 -3.062 1.00 0.00 C ATOM 1275 O PRO A 83 22.605 -4.778 -4.110 1.00 0.00 O ATOM 1276 CB PRO A 83 20.150 -4.604 -2.302 1.00 0.00 C ATOM 1277 CG PRO A 83 18.830 -4.071 -2.910 1.00 0.00 C ATOM 1278 CD PRO A 83 19.193 -2.905 -3.852 1.00 0.00 C ATOM 0 HA PRO A 83 21.472 -2.977 -1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.424 -5.560 -2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.044 -4.770 -1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.314 -4.860 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.154 -3.733 -2.124 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.977 -3.152 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.621 -2.008 -3.612 1.00 0.00 H new ATOM 1286 N ARG A 84 23.585 -4.017 -2.296 1.00 0.00 N ATOM 1287 CA ARG A 84 24.895 -4.603 -2.699 1.00 0.00 C ATOM 1288 C ARG A 84 24.921 -6.088 -2.332 1.00 0.00 C ATOM 1289 O ARG A 84 24.993 -6.385 -1.151 1.00 0.00 O ATOM 1290 CB ARG A 84 26.032 -3.879 -1.966 1.00 0.00 C ATOM 1291 CG ARG A 84 25.956 -2.365 -2.226 1.00 0.00 C ATOM 1292 CD ARG A 84 26.553 -2.028 -3.598 1.00 0.00 C ATOM 1293 NE ARG A 84 27.938 -2.572 -3.693 1.00 0.00 N ATOM 1294 CZ ARG A 84 28.518 -2.681 -4.858 1.00 0.00 C ATOM 1295 NH1 ARG A 84 27.887 -2.305 -5.937 1.00 0.00 N ATOM 1296 NH2 ARG A 84 29.727 -3.162 -4.942 1.00 0.00 N ATOM 1297 OXT ARG A 84 24.867 -6.903 -3.238 1.00 0.00 O ATOM 0 H ARG A 84 23.589 -3.515 -1.408 1.00 0.00 H new ATOM 0 HA ARG A 84 25.027 -4.488 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 84 25.967 -4.075 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 84 26.994 -4.265 -2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 84 24.919 -2.034 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 84 26.495 -1.828 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 84 25.932 -2.449 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 84 26.566 -0.948 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 84 28.432 -2.859 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 84 26.942 -1.927 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 84 28.339 -2.390 -6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 84 30.220 -3.453 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 84 30.180 -3.247 -5.852 1.00 0.00 H new TER 1311 ARG A 84