USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot -78:sc= -2.43! USER MOD Set 1.2: A 70 GLN : amide:sc= -1.65! C(o=-4.1!,f=-9.8!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 122:sc= 0.0407 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00666 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0837) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -107:sc= 0.506 (180deg=0.00466) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.539 USER MOD Single : A 33 ASN : amide:sc= -11.8! C(o=-12!,f=-21!) USER MOD Single : A 34 ASN : amide:sc= -1.62! K(o=-1.6!,f=-2.7) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= -0.557 (180deg=-2.28!) USER MOD Single : A 40 ASN : amide:sc= -1.84! C(o=-1.8!,f=-8.8!) USER MOD Single : A 48 ASN : amide:sc= -4.12! C(o=-4.1!,f=-6.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 54:sc= 0.0161 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.16 USER MOD Single : A 61 HIS : no HE2:sc= -4.25! C(o=-4.2!,f=-9.6!) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= -0.129 (180deg=-1.19!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -172:sc= -1.53! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 122:sc= 0.479! USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000982 USER MOD Single : A 85 TYR OH : rot -36:sc= -0.771! USER MOD Single : A 86 THR OG1 : rot -11:sc= -0.0456 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -120:sc= -7.35! (180deg=-12.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.201 15.561 6.563 1.00 0.00 N ATOM 2 CA GLU A 1 2.633 15.415 5.144 1.00 0.00 C ATOM 3 C GLU A 1 2.561 13.941 4.741 1.00 0.00 C ATOM 4 O GLU A 1 3.567 13.270 4.625 1.00 0.00 O ATOM 5 CB GLU A 1 4.071 15.915 4.994 1.00 0.00 C ATOM 6 CG GLU A 1 4.245 16.563 3.620 1.00 0.00 C ATOM 7 CD GLU A 1 4.851 17.958 3.786 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.324 18.251 4.872 1.00 0.00 O ATOM 9 OE2 GLU A 1 4.832 18.709 2.825 1.00 0.00 O ATOM 0 H1 GLU A 1 2.249 16.562 6.839 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.224 15.220 6.665 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.828 15.002 7.176 1.00 0.00 H new ATOM 0 HA GLU A 1 1.977 16.001 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.301 16.635 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.769 15.086 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.891 15.947 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.282 16.631 3.114 1.00 0.00 H new ATOM 18 N THR A 2 1.378 13.431 4.528 1.00 0.00 N ATOM 19 CA THR A 2 1.244 12.000 4.135 1.00 0.00 C ATOM 20 C THR A 2 0.380 11.888 2.877 1.00 0.00 C ATOM 21 O THR A 2 -0.578 12.615 2.703 1.00 0.00 O ATOM 22 CB THR A 2 0.586 11.212 5.274 1.00 0.00 C ATOM 23 OG1 THR A 2 -0.170 10.140 4.728 1.00 0.00 O ATOM 24 CG2 THR A 2 -0.338 12.130 6.077 1.00 0.00 C ATOM 0 H THR A 2 0.500 13.943 4.609 1.00 0.00 H new ATOM 0 HA THR A 2 2.234 11.591 3.933 1.00 0.00 H new ATOM 0 HB THR A 2 1.360 10.819 5.933 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.591 9.633 5.454 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.802 11.563 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.241 12.952 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.113 12.529 5.422 1.00 0.00 H new ATOM 32 N TYR A 3 0.711 10.980 1.998 1.00 0.00 N ATOM 33 CA TYR A 3 -0.092 10.818 0.753 1.00 0.00 C ATOM 34 C TYR A 3 -1.348 10.002 1.062 1.00 0.00 C ATOM 35 O TYR A 3 -1.520 9.501 2.156 1.00 0.00 O ATOM 36 CB TYR A 3 0.743 10.090 -0.302 1.00 0.00 C ATOM 37 CG TYR A 3 2.130 10.686 -0.349 1.00 0.00 C ATOM 38 CD1 TYR A 3 2.339 11.922 -0.970 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.207 10.002 0.229 1.00 0.00 C ATOM 40 CE1 TYR A 3 3.625 12.475 -1.015 1.00 0.00 C ATOM 41 CE2 TYR A 3 4.493 10.555 0.183 1.00 0.00 C ATOM 42 CZ TYR A 3 4.702 11.792 -0.438 1.00 0.00 C ATOM 43 OH TYR A 3 5.969 12.337 -0.483 1.00 0.00 O ATOM 0 H TYR A 3 1.503 10.344 2.089 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.379 11.799 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 3 0.800 9.028 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.267 10.174 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.508 12.450 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.046 9.049 0.710 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.786 13.429 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 3 5.324 10.027 0.627 1.00 0.00 H new ATOM 0 HH TYR A 3 6.312 12.442 0.429 1.00 0.00 H new ATOM 53 N THR A 4 -2.231 9.866 0.111 1.00 0.00 N ATOM 54 CA THR A 4 -3.474 9.083 0.362 1.00 0.00 C ATOM 55 C THR A 4 -4.036 8.562 -0.964 1.00 0.00 C ATOM 56 O THR A 4 -4.479 9.322 -1.802 1.00 0.00 O ATOM 57 CB THR A 4 -4.513 9.986 1.033 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.852 11.053 1.697 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.323 9.175 2.046 1.00 0.00 C ATOM 0 H THR A 4 -2.146 10.261 -0.825 1.00 0.00 H new ATOM 0 HA THR A 4 -3.244 8.239 1.012 1.00 0.00 H new ATOM 0 HB THR A 4 -5.186 10.389 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.516 11.633 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.061 9.820 2.522 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.831 8.358 1.535 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.654 8.768 2.805 1.00 0.00 H new ATOM 67 N VAL A 5 -4.029 7.270 -1.157 1.00 0.00 N ATOM 68 CA VAL A 5 -4.573 6.703 -2.424 1.00 0.00 C ATOM 69 C VAL A 5 -5.977 6.153 -2.165 1.00 0.00 C ATOM 70 O VAL A 5 -6.155 5.204 -1.428 1.00 0.00 O ATOM 71 CB VAL A 5 -3.664 5.574 -2.924 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.534 6.161 -3.772 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.066 4.823 -1.731 1.00 0.00 C ATOM 0 H VAL A 5 -3.671 6.584 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.617 7.485 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.252 4.883 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.889 5.357 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.957 6.690 -4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.949 6.855 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.421 4.022 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.482 5.513 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.869 4.399 -1.128 1.00 0.00 H new ATOM 83 N LYS A 6 -6.976 6.743 -2.762 1.00 0.00 N ATOM 84 CA LYS A 6 -8.367 6.252 -2.544 1.00 0.00 C ATOM 85 C LYS A 6 -8.634 5.055 -3.457 1.00 0.00 C ATOM 86 O LYS A 6 -8.790 5.198 -4.653 1.00 0.00 O ATOM 87 CB LYS A 6 -9.367 7.364 -2.871 1.00 0.00 C ATOM 88 CG LYS A 6 -8.825 8.711 -2.388 1.00 0.00 C ATOM 89 CD LYS A 6 -9.869 9.799 -2.647 1.00 0.00 C ATOM 90 CE LYS A 6 -9.167 11.137 -2.881 1.00 0.00 C ATOM 91 NZ LYS A 6 -9.442 11.605 -4.269 1.00 0.00 N ATOM 0 H LYS A 6 -6.890 7.542 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.481 5.955 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.547 7.399 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.325 7.155 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.591 8.661 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.897 8.950 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.474 9.537 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.547 9.876 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.518 11.875 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.093 11.028 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.965 12.515 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.086 10.903 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.467 11.724 -4.399 1.00 0.00 H new ATOM 105 N LEU A 7 -8.699 3.875 -2.904 1.00 0.00 N ATOM 106 CA LEU A 7 -8.966 2.678 -3.744 1.00 0.00 C ATOM 107 C LEU A 7 -10.478 2.464 -3.845 1.00 0.00 C ATOM 108 O LEU A 7 -11.258 3.313 -3.462 1.00 0.00 O ATOM 109 CB LEU A 7 -8.310 1.443 -3.118 1.00 0.00 C ATOM 110 CG LEU A 7 -8.359 1.526 -1.593 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.566 0.125 -1.014 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.038 2.100 -1.072 1.00 0.00 C ATOM 0 H LEU A 7 -8.579 3.690 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.549 2.832 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.822 0.542 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.275 1.366 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.183 2.172 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.601 0.182 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.504 -0.288 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.741 -0.519 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.071 2.160 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.215 1.452 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.886 3.097 -1.486 1.00 0.00 H new ATOM 124 N GLY A 8 -10.902 1.342 -4.359 1.00 0.00 N ATOM 125 CA GLY A 8 -12.366 1.089 -4.483 1.00 0.00 C ATOM 126 C GLY A 8 -12.974 2.089 -5.468 1.00 0.00 C ATOM 127 O GLY A 8 -13.646 3.025 -5.082 1.00 0.00 O ATOM 0 H GLY A 8 -10.300 0.591 -4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.542 0.070 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.846 1.184 -3.509 1.00 0.00 H new ATOM 131 N SER A 9 -12.742 1.902 -6.738 1.00 0.00 N ATOM 132 CA SER A 9 -13.305 2.845 -7.746 1.00 0.00 C ATOM 133 C SER A 9 -14.830 2.877 -7.621 1.00 0.00 C ATOM 134 O SER A 9 -15.450 1.916 -7.212 1.00 0.00 O ATOM 135 CB SER A 9 -12.916 2.381 -9.150 1.00 0.00 C ATOM 136 OG SER A 9 -12.876 0.961 -9.182 1.00 0.00 O ATOM 0 H SER A 9 -12.187 1.137 -7.122 1.00 0.00 H new ATOM 0 HA SER A 9 -12.907 3.845 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.635 2.752 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.943 2.790 -9.424 1.00 0.00 H new ATOM 0 HG SER A 9 -12.629 0.661 -10.082 1.00 0.00 H new ATOM 142 N ASP A 10 -15.440 3.978 -7.968 1.00 0.00 N ATOM 143 CA ASP A 10 -16.924 4.074 -7.867 1.00 0.00 C ATOM 144 C ASP A 10 -17.563 3.603 -9.175 1.00 0.00 C ATOM 145 O ASP A 10 -18.770 3.585 -9.315 1.00 0.00 O ATOM 146 CB ASP A 10 -17.322 5.528 -7.602 1.00 0.00 C ATOM 147 CG ASP A 10 -18.502 5.566 -6.629 1.00 0.00 C ATOM 148 OD1 ASP A 10 -18.408 4.931 -5.592 1.00 0.00 O ATOM 149 OD2 ASP A 10 -19.478 6.229 -6.938 1.00 0.00 O ATOM 0 H ASP A 10 -14.974 4.816 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.271 3.443 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.477 6.077 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.592 6.018 -8.537 1.00 0.00 H new ATOM 154 N LYS A 11 -16.767 3.223 -10.137 1.00 0.00 N ATOM 155 CA LYS A 11 -17.339 2.757 -11.432 1.00 0.00 C ATOM 156 C LYS A 11 -16.815 1.356 -11.755 1.00 0.00 C ATOM 157 O LYS A 11 -17.156 0.773 -12.765 1.00 0.00 O ATOM 158 CB LYS A 11 -16.932 3.722 -12.547 1.00 0.00 C ATOM 159 CG LYS A 11 -18.103 3.907 -13.514 1.00 0.00 C ATOM 160 CD LYS A 11 -19.334 4.385 -12.742 1.00 0.00 C ATOM 161 CE LYS A 11 -20.022 5.506 -13.522 1.00 0.00 C ATOM 162 NZ LYS A 11 -20.540 6.527 -12.568 1.00 0.00 N ATOM 0 H LYS A 11 -15.748 3.215 -10.083 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.426 2.726 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.642 4.683 -12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.064 3.334 -13.080 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.840 4.632 -14.285 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.321 2.967 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.025 3.556 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.041 4.741 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.319 5.965 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.840 5.101 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.008 7.290 -13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.224 6.083 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.750 6.921 -12.018 1.00 0.00 H new ATOM 176 N GLY A 12 -15.988 0.810 -10.907 1.00 0.00 N ATOM 177 CA GLY A 12 -15.447 -0.552 -11.172 1.00 0.00 C ATOM 178 C GLY A 12 -15.588 -1.412 -9.916 1.00 0.00 C ATOM 179 O GLY A 12 -16.668 -1.847 -9.568 1.00 0.00 O ATOM 0 H GLY A 12 -15.664 1.247 -10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.983 -1.012 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.399 -0.488 -11.465 1.00 0.00 H new ATOM 183 N LEU A 13 -14.504 -1.662 -9.234 1.00 0.00 N ATOM 184 CA LEU A 13 -14.575 -2.495 -8.002 1.00 0.00 C ATOM 185 C LEU A 13 -13.507 -2.030 -7.010 1.00 0.00 C ATOM 186 O LEU A 13 -13.736 -1.153 -6.202 1.00 0.00 O ATOM 187 CB LEU A 13 -14.330 -3.961 -8.364 1.00 0.00 C ATOM 188 CG LEU A 13 -15.646 -4.608 -8.799 1.00 0.00 C ATOM 189 CD1 LEU A 13 -15.598 -4.904 -10.299 1.00 0.00 C ATOM 190 CD2 LEU A 13 -15.850 -5.914 -8.029 1.00 0.00 C ATOM 0 H LEU A 13 -13.572 -1.325 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.561 -2.392 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.596 -4.030 -9.167 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.917 -4.494 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 13 -16.472 -3.928 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.536 -5.365 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.452 -3.974 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.772 -5.584 -10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -16.788 -6.376 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.024 -6.593 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.884 -5.705 -6.960 1.00 0.00 H new ATOM 202 N LEU A 14 -12.339 -2.613 -7.064 1.00 0.00 N ATOM 203 CA LEU A 14 -11.258 -2.206 -6.122 1.00 0.00 C ATOM 204 C LEU A 14 -9.948 -2.021 -6.889 1.00 0.00 C ATOM 205 O LEU A 14 -9.330 -2.973 -7.323 1.00 0.00 O ATOM 206 CB LEU A 14 -11.075 -3.288 -5.058 1.00 0.00 C ATOM 207 CG LEU A 14 -12.404 -3.523 -4.341 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.259 -4.690 -3.364 1.00 0.00 C ATOM 209 CD2 LEU A 14 -12.793 -2.259 -3.573 1.00 0.00 C ATOM 0 H LEU A 14 -12.088 -3.353 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.533 -1.266 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.729 -4.213 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.311 -2.984 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.177 -3.759 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.207 -4.857 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.978 -5.590 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.488 -4.456 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.741 -2.422 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.020 -2.025 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.896 -1.427 -4.270 1.00 0.00 H new ATOM 221 N VAL A 15 -9.518 -0.800 -7.055 1.00 0.00 N ATOM 222 CA VAL A 15 -8.246 -0.548 -7.789 1.00 0.00 C ATOM 223 C VAL A 15 -7.572 0.702 -7.218 1.00 0.00 C ATOM 224 O VAL A 15 -8.104 1.792 -7.291 1.00 0.00 O ATOM 225 CB VAL A 15 -8.547 -0.331 -9.274 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.598 -1.681 -9.990 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.897 0.373 -9.422 1.00 0.00 C ATOM 0 H VAL A 15 -9.994 0.035 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.583 -1.406 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.763 0.284 -9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.812 -1.524 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.637 -2.185 -9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.381 -2.298 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.112 0.528 -10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.679 -0.243 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.863 1.337 -8.914 1.00 0.00 H new ATOM 237 N PHE A 16 -6.406 0.556 -6.649 1.00 0.00 N ATOM 238 CA PHE A 16 -5.707 1.741 -6.076 1.00 0.00 C ATOM 239 C PHE A 16 -5.780 2.901 -7.072 1.00 0.00 C ATOM 240 O PHE A 16 -5.846 2.700 -8.269 1.00 0.00 O ATOM 241 CB PHE A 16 -4.240 1.392 -5.811 1.00 0.00 C ATOM 242 CG PHE A 16 -4.122 0.624 -4.516 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.273 1.289 -3.293 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.856 -0.751 -4.537 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.158 0.579 -2.092 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.741 -1.460 -3.335 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.892 -0.795 -2.112 1.00 0.00 C ATOM 0 H PHE A 16 -5.909 -0.330 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.186 2.029 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.844 0.798 -6.634 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.644 2.303 -5.760 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.478 2.349 -3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.740 -1.264 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.275 1.092 -1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.536 -2.520 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.803 -1.342 -1.185 1.00 0.00 H new ATOM 257 N GLU A 17 -5.768 4.113 -6.591 1.00 0.00 N ATOM 258 CA GLU A 17 -5.835 5.279 -7.516 1.00 0.00 C ATOM 259 C GLU A 17 -4.979 6.422 -6.954 1.00 0.00 C ATOM 260 O GLU A 17 -5.305 6.980 -5.924 1.00 0.00 O ATOM 261 CB GLU A 17 -7.287 5.746 -7.640 1.00 0.00 C ATOM 262 CG GLU A 17 -8.021 4.864 -8.651 1.00 0.00 C ATOM 263 CD GLU A 17 -9.401 4.497 -8.103 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.906 5.240 -7.277 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.930 3.478 -8.517 1.00 0.00 O ATOM 0 H GLU A 17 -5.715 4.346 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.460 4.989 -8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.781 5.694 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.319 6.788 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.123 5.389 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.444 3.960 -8.847 1.00 0.00 H new ATOM 272 N PRO A 18 -3.906 6.738 -7.639 1.00 0.00 N ATOM 273 CA PRO A 18 -3.506 6.065 -8.889 1.00 0.00 C ATOM 274 C PRO A 18 -2.883 4.699 -8.590 1.00 0.00 C ATOM 275 O PRO A 18 -2.728 4.311 -7.448 1.00 0.00 O ATOM 276 CB PRO A 18 -2.469 7.018 -9.490 1.00 0.00 C ATOM 277 CG PRO A 18 -1.925 7.867 -8.323 1.00 0.00 C ATOM 278 CD PRO A 18 -2.983 7.807 -7.211 1.00 0.00 C ATOM 0 HA PRO A 18 -4.344 5.873 -9.559 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.665 6.462 -9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.921 7.652 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.970 7.477 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.752 8.896 -8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.532 7.579 -6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.501 8.760 -7.104 1.00 0.00 H new ATOM 286 N ALA A 19 -2.524 3.967 -9.609 1.00 0.00 N ATOM 287 CA ALA A 19 -1.913 2.629 -9.390 1.00 0.00 C ATOM 288 C ALA A 19 -0.441 2.792 -8.999 1.00 0.00 C ATOM 289 O ALA A 19 0.251 1.829 -8.735 1.00 0.00 O ATOM 290 CB ALA A 19 -2.014 1.809 -10.678 1.00 0.00 C ATOM 0 H ALA A 19 -2.629 4.240 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.442 2.115 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.567 0.828 -10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.062 1.690 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.485 2.324 -11.480 1.00 0.00 H new ATOM 296 N LYS A 20 0.043 4.005 -8.958 1.00 0.00 N ATOM 297 CA LYS A 20 1.469 4.229 -8.584 1.00 0.00 C ATOM 298 C LYS A 20 1.552 5.373 -7.571 1.00 0.00 C ATOM 299 O LYS A 20 0.635 6.158 -7.434 1.00 0.00 O ATOM 300 CB LYS A 20 2.270 4.595 -9.835 1.00 0.00 C ATOM 301 CG LYS A 20 1.511 5.656 -10.636 1.00 0.00 C ATOM 302 CD LYS A 20 0.662 4.974 -11.712 1.00 0.00 C ATOM 303 CE LYS A 20 1.389 5.044 -13.056 1.00 0.00 C ATOM 304 NZ LYS A 20 2.251 3.839 -13.218 1.00 0.00 N ATOM 0 H LYS A 20 -0.488 4.850 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 20 1.880 3.321 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.253 4.972 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.432 3.708 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.874 6.241 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.214 6.350 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.477 3.935 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.310 5.461 -11.786 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.666 5.099 -13.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.996 5.948 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.639 3.817 -14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.031 3.876 -12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.685 2.982 -13.053 1.00 0.00 H new ATOM 318 N LEU A 21 2.639 5.477 -6.855 1.00 0.00 N ATOM 319 CA LEU A 21 2.760 6.575 -5.854 1.00 0.00 C ATOM 320 C LEU A 21 4.236 6.869 -5.574 1.00 0.00 C ATOM 321 O LEU A 21 4.965 6.028 -5.088 1.00 0.00 O ATOM 322 CB LEU A 21 2.071 6.154 -4.553 1.00 0.00 C ATOM 323 CG LEU A 21 1.519 7.392 -3.845 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.024 7.528 -4.140 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.729 7.251 -2.336 1.00 0.00 C ATOM 0 H LEU A 21 3.444 4.853 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 21 2.285 7.473 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.263 5.454 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.779 5.637 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 21 2.041 8.278 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.368 8.411 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.127 7.628 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.500 6.642 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.336 8.133 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.207 6.364 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.794 7.156 -2.124 1.00 0.00 H new ATOM 337 N THR A 22 4.677 8.063 -5.867 1.00 0.00 N ATOM 338 CA THR A 22 6.101 8.417 -5.605 1.00 0.00 C ATOM 339 C THR A 22 6.214 9.003 -4.198 1.00 0.00 C ATOM 340 O THR A 22 5.883 10.147 -3.961 1.00 0.00 O ATOM 341 CB THR A 22 6.572 9.447 -6.634 1.00 0.00 C ATOM 342 OG1 THR A 22 6.445 8.900 -7.939 1.00 0.00 O ATOM 343 CG2 THR A 22 8.036 9.805 -6.370 1.00 0.00 C ATOM 0 H THR A 22 4.113 8.808 -6.276 1.00 0.00 H new ATOM 0 HA THR A 22 6.725 7.527 -5.684 1.00 0.00 H new ATOM 0 HB THR A 22 5.961 10.346 -6.554 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.744 9.558 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.369 10.539 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.133 10.224 -5.368 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.650 8.908 -6.449 1.00 0.00 H new ATOM 351 N ILE A 23 6.665 8.220 -3.259 1.00 0.00 N ATOM 352 CA ILE A 23 6.784 8.715 -1.863 1.00 0.00 C ATOM 353 C ILE A 23 8.237 9.057 -1.544 1.00 0.00 C ATOM 354 O ILE A 23 9.101 9.028 -2.398 1.00 0.00 O ATOM 355 CB ILE A 23 6.316 7.624 -0.903 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.027 6.312 -1.250 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.805 7.440 -1.039 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.733 5.760 -0.009 1.00 0.00 C ATOM 0 H ILE A 23 6.958 7.253 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 23 6.170 9.609 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 23 6.553 7.909 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.306 5.585 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.751 6.480 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.470 6.661 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.301 8.376 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.564 7.151 -2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.237 4.827 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.467 6.484 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.999 5.575 0.775 1.00 0.00 H new ATOM 370 N LYS A 24 8.507 9.365 -0.307 1.00 0.00 N ATOM 371 CA LYS A 24 9.897 9.694 0.101 1.00 0.00 C ATOM 372 C LYS A 24 10.407 8.577 1.019 1.00 0.00 C ATOM 373 O LYS A 24 9.655 7.700 1.394 1.00 0.00 O ATOM 374 CB LYS A 24 9.904 11.032 0.847 1.00 0.00 C ATOM 375 CG LYS A 24 10.509 12.118 -0.049 1.00 0.00 C ATOM 376 CD LYS A 24 9.625 13.369 -0.011 1.00 0.00 C ATOM 377 CE LYS A 24 10.300 14.449 0.840 1.00 0.00 C ATOM 378 NZ LYS A 24 9.921 14.266 2.271 1.00 0.00 N ATOM 0 H LYS A 24 7.817 9.403 0.444 1.00 0.00 H new ATOM 0 HA LYS A 24 10.542 9.777 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.888 11.306 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.481 10.943 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.516 12.362 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.595 11.753 -1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.458 13.740 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.647 13.123 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.383 14.390 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.998 15.439 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.252 15.011 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.474 13.335 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.772 14.324 2.866 1.00 0.00 H new ATOM 392 N PRO A 25 11.669 8.634 1.348 1.00 0.00 N ATOM 393 CA PRO A 25 12.304 7.627 2.216 1.00 0.00 C ATOM 394 C PRO A 25 11.938 7.868 3.683 1.00 0.00 C ATOM 395 O PRO A 25 12.710 8.424 4.440 1.00 0.00 O ATOM 396 CB PRO A 25 13.801 7.842 1.981 1.00 0.00 C ATOM 397 CG PRO A 25 13.956 9.288 1.449 1.00 0.00 C ATOM 398 CD PRO A 25 12.580 9.704 0.893 1.00 0.00 C ATOM 0 HA PRO A 25 11.984 6.609 1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.363 7.706 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.189 7.120 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.272 9.962 2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.718 9.335 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.273 10.678 1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.595 9.779 -0.194 1.00 0.00 H new ATOM 406 N GLY A 26 10.769 7.451 4.096 1.00 0.00 N ATOM 407 CA GLY A 26 10.373 7.661 5.518 1.00 0.00 C ATOM 408 C GLY A 26 8.982 8.292 5.583 1.00 0.00 C ATOM 409 O GLY A 26 8.277 8.161 6.564 1.00 0.00 O ATOM 0 H GLY A 26 10.077 6.978 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.375 6.709 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.098 8.306 6.015 1.00 0.00 H new ATOM 413 N ASP A 27 8.579 8.979 4.550 1.00 0.00 N ATOM 414 CA ASP A 27 7.233 9.617 4.563 1.00 0.00 C ATOM 415 C ASP A 27 6.176 8.579 4.946 1.00 0.00 C ATOM 416 O ASP A 27 6.486 7.442 5.240 1.00 0.00 O ATOM 417 CB ASP A 27 6.920 10.178 3.175 1.00 0.00 C ATOM 418 CG ASP A 27 7.420 11.621 3.084 1.00 0.00 C ATOM 419 OD1 ASP A 27 8.575 11.847 3.406 1.00 0.00 O ATOM 420 OD2 ASP A 27 6.641 12.475 2.696 1.00 0.00 O ATOM 0 H ASP A 27 9.122 9.126 3.699 1.00 0.00 H new ATOM 0 HA ASP A 27 7.224 10.427 5.292 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.397 9.567 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.846 10.141 2.990 1.00 0.00 H new ATOM 425 N THR A 28 4.929 8.963 4.944 1.00 0.00 N ATOM 426 CA THR A 28 3.852 8.006 5.306 1.00 0.00 C ATOM 427 C THR A 28 2.852 7.905 4.153 1.00 0.00 C ATOM 428 O THR A 28 2.595 8.867 3.456 1.00 0.00 O ATOM 429 CB THR A 28 3.130 8.496 6.565 1.00 0.00 C ATOM 430 OG1 THR A 28 4.063 8.612 7.631 1.00 0.00 O ATOM 431 CG2 THR A 28 2.035 7.499 6.948 1.00 0.00 C ATOM 0 H THR A 28 4.611 9.903 4.706 1.00 0.00 H new ATOM 0 HA THR A 28 4.289 7.026 5.498 1.00 0.00 H new ATOM 0 HB THR A 28 2.680 9.469 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.602 8.927 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.522 7.849 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.319 7.413 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.482 6.524 7.143 1.00 0.00 H new ATOM 439 N VAL A 29 2.283 6.749 3.947 1.00 0.00 N ATOM 440 CA VAL A 29 1.300 6.589 2.845 1.00 0.00 C ATOM 441 C VAL A 29 0.007 5.987 3.399 1.00 0.00 C ATOM 442 O VAL A 29 0.030 5.114 4.244 1.00 0.00 O ATOM 443 CB VAL A 29 1.880 5.663 1.774 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.163 5.904 0.443 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.372 5.956 1.608 1.00 0.00 C ATOM 0 H VAL A 29 2.459 5.908 4.497 1.00 0.00 H new ATOM 0 HA VAL A 29 1.086 7.562 2.404 1.00 0.00 H new ATOM 0 HB VAL A 29 1.741 4.625 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.578 5.243 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.099 5.699 0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.301 6.941 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.789 5.298 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.507 6.994 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.884 5.785 2.555 1.00 0.00 H new ATOM 455 N GLU A 30 -1.122 6.449 2.936 1.00 0.00 N ATOM 456 CA GLU A 30 -2.408 5.904 3.442 1.00 0.00 C ATOM 457 C GLU A 30 -3.051 5.015 2.374 1.00 0.00 C ATOM 458 O GLU A 30 -2.794 5.151 1.194 1.00 0.00 O ATOM 459 CB GLU A 30 -3.354 7.055 3.791 1.00 0.00 C ATOM 460 CG GLU A 30 -3.549 7.111 5.308 1.00 0.00 C ATOM 461 CD GLU A 30 -4.455 8.290 5.666 1.00 0.00 C ATOM 462 OE1 GLU A 30 -4.298 9.338 5.061 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.289 8.125 6.540 1.00 0.00 O ATOM 0 H GLU A 30 -1.207 7.180 2.230 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.218 5.310 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.944 7.999 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.314 6.914 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.990 6.180 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.585 7.216 5.805 1.00 0.00 H new ATOM 470 N PHE A 31 -3.885 4.103 2.788 1.00 0.00 N ATOM 471 CA PHE A 31 -4.557 3.188 1.819 1.00 0.00 C ATOM 472 C PHE A 31 -5.880 2.739 2.446 1.00 0.00 C ATOM 473 O PHE A 31 -5.956 1.713 3.089 1.00 0.00 O ATOM 474 CB PHE A 31 -3.658 1.967 1.547 1.00 0.00 C ATOM 475 CG PHE A 31 -2.237 2.259 1.995 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.889 2.128 3.346 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.273 2.672 1.064 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.584 2.405 3.765 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.033 2.952 1.487 1.00 0.00 C ATOM 480 CZ PHE A 31 0.376 2.819 2.837 1.00 0.00 C ATOM 0 H PHE A 31 -4.133 3.950 3.765 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.739 3.696 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.043 1.096 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.671 1.725 0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.630 1.812 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.537 2.774 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.318 2.299 4.806 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.776 3.271 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.383 3.036 3.162 1.00 0.00 H new ATOM 490 N LEU A 32 -6.914 3.527 2.298 1.00 0.00 N ATOM 491 CA LEU A 32 -8.217 3.184 2.938 1.00 0.00 C ATOM 492 C LEU A 32 -9.162 2.472 1.966 1.00 0.00 C ATOM 493 O LEU A 32 -8.962 2.458 0.770 1.00 0.00 O ATOM 494 CB LEU A 32 -8.875 4.476 3.445 1.00 0.00 C ATOM 495 CG LEU A 32 -9.641 5.175 2.315 1.00 0.00 C ATOM 496 CD1 LEU A 32 -10.392 6.380 2.882 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.657 5.653 1.246 1.00 0.00 C ATOM 0 H LEU A 32 -6.911 4.394 1.761 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.023 2.501 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.556 4.246 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.113 5.146 3.843 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.349 4.475 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.937 6.879 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.094 6.045 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.680 7.077 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.204 6.149 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.949 6.353 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.116 4.798 0.841 1.00 0.00 H new ATOM 509 N ASN A 33 -10.194 1.872 2.502 1.00 0.00 N ATOM 510 CA ASN A 33 -11.178 1.136 1.661 1.00 0.00 C ATOM 511 C ASN A 33 -12.266 2.096 1.167 1.00 0.00 C ATOM 512 O ASN A 33 -12.532 3.109 1.779 1.00 0.00 O ATOM 513 CB ASN A 33 -11.795 0.016 2.505 1.00 0.00 C ATOM 514 CG ASN A 33 -12.884 0.549 3.420 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.816 1.196 2.986 1.00 0.00 O ATOM 516 ND2 ASN A 33 -12.797 0.284 4.695 1.00 0.00 N ATOM 0 H ASN A 33 -10.397 1.862 3.502 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.682 0.708 0.790 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.211 -0.749 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.018 -0.463 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.515 0.621 5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.011 -0.260 5.050 1.00 0.00 H new ATOM 523 N ASN A 34 -12.897 1.789 0.065 1.00 0.00 N ATOM 524 CA ASN A 34 -13.964 2.694 -0.456 1.00 0.00 C ATOM 525 C ASN A 34 -15.322 2.234 0.074 1.00 0.00 C ATOM 526 O ASN A 34 -15.989 2.944 0.799 1.00 0.00 O ATOM 527 CB ASN A 34 -13.975 2.655 -1.987 1.00 0.00 C ATOM 528 CG ASN A 34 -15.035 3.626 -2.513 1.00 0.00 C ATOM 529 OD1 ASN A 34 -15.364 4.596 -1.860 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.590 3.403 -3.673 1.00 0.00 N ATOM 0 H ASN A 34 -12.721 0.955 -0.495 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.766 3.713 -0.124 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.993 2.926 -2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.188 1.644 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.299 4.043 -4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.314 2.589 -4.222 1.00 0.00 H new ATOM 537 N LYS A 35 -15.736 1.048 -0.279 1.00 0.00 N ATOM 538 CA LYS A 35 -17.049 0.544 0.210 1.00 0.00 C ATOM 539 C LYS A 35 -17.064 -0.982 0.134 1.00 0.00 C ATOM 540 O LYS A 35 -18.077 -1.593 -0.145 1.00 0.00 O ATOM 541 CB LYS A 35 -18.172 1.111 -0.660 1.00 0.00 C ATOM 542 CG LYS A 35 -19.359 1.497 0.225 1.00 0.00 C ATOM 543 CD LYS A 35 -20.471 0.459 0.070 1.00 0.00 C ATOM 544 CE LYS A 35 -20.890 0.378 -1.399 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.350 -0.875 -1.999 1.00 0.00 N ATOM 0 H LYS A 35 -15.222 0.407 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.199 0.860 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.816 1.983 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.481 0.373 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.045 1.556 1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.728 2.484 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.125 -0.515 0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -21.326 0.731 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.977 0.394 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.517 1.245 -1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.967 -0.670 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.594 -1.252 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.112 -1.578 -2.080 1.00 0.00 H new ATOM 559 N VAL A 36 -15.945 -1.601 0.386 1.00 0.00 N ATOM 560 CA VAL A 36 -15.887 -3.088 0.336 1.00 0.00 C ATOM 561 C VAL A 36 -14.750 -3.594 1.233 1.00 0.00 C ATOM 562 O VAL A 36 -13.864 -4.286 0.772 1.00 0.00 O ATOM 563 CB VAL A 36 -15.635 -3.533 -1.106 1.00 0.00 C ATOM 564 CG1 VAL A 36 -15.734 -5.056 -1.195 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.682 -2.899 -2.024 1.00 0.00 C ATOM 0 H VAL A 36 -15.067 -1.141 0.625 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.832 -3.500 0.689 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.639 -3.216 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.554 -5.373 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.989 -5.508 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.729 -5.375 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.504 -3.215 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.678 -3.216 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.611 -1.813 -1.961 1.00 0.00 H new ATOM 575 N PRO A 37 -14.810 -3.235 2.493 1.00 0.00 N ATOM 576 CA PRO A 37 -13.795 -3.641 3.484 1.00 0.00 C ATOM 577 C PRO A 37 -14.054 -5.075 3.962 1.00 0.00 C ATOM 578 O PRO A 37 -15.062 -5.665 3.626 1.00 0.00 O ATOM 579 CB PRO A 37 -14.009 -2.655 4.634 1.00 0.00 C ATOM 580 CG PRO A 37 -15.461 -2.139 4.504 1.00 0.00 C ATOM 581 CD PRO A 37 -15.890 -2.390 3.047 1.00 0.00 C ATOM 0 HA PRO A 37 -12.781 -3.625 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.855 -3.142 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.298 -1.831 4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.121 -2.661 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.518 -1.078 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.855 -2.894 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -15.989 -1.456 2.494 1.00 0.00 H new ATOM 589 N PRO A 38 -13.147 -5.579 4.762 1.00 0.00 N ATOM 590 CA PRO A 38 -11.926 -4.857 5.168 1.00 0.00 C ATOM 591 C PRO A 38 -10.835 -5.028 4.107 1.00 0.00 C ATOM 592 O PRO A 38 -11.005 -5.754 3.151 1.00 0.00 O ATOM 593 CB PRO A 38 -11.516 -5.562 6.461 1.00 0.00 C ATOM 594 CG PRO A 38 -12.146 -6.977 6.404 1.00 0.00 C ATOM 595 CD PRO A 38 -13.279 -6.918 5.363 1.00 0.00 C ATOM 0 HA PRO A 38 -12.080 -3.785 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.431 -5.623 6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.872 -5.013 7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.401 -7.721 6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.533 -7.267 7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.173 -7.703 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.255 -7.051 5.829 1.00 0.00 H new ATOM 603 N HIS A 39 -9.714 -4.374 4.274 1.00 0.00 N ATOM 604 CA HIS A 39 -8.616 -4.510 3.273 1.00 0.00 C ATOM 605 C HIS A 39 -7.312 -4.897 3.972 1.00 0.00 C ATOM 606 O HIS A 39 -7.044 -4.491 5.085 1.00 0.00 O ATOM 607 CB HIS A 39 -8.414 -3.178 2.543 1.00 0.00 C ATOM 608 CG HIS A 39 -9.552 -2.960 1.591 1.00 0.00 C ATOM 609 ND1 HIS A 39 -9.419 -3.142 0.217 1.00 0.00 N ATOM 610 CD2 HIS A 39 -10.857 -2.605 1.804 1.00 0.00 C ATOM 611 CE1 HIS A 39 -10.629 -2.899 -0.329 1.00 0.00 C ATOM 612 NE2 HIS A 39 -11.528 -2.576 0.598 1.00 0.00 N ATOM 0 H HIS A 39 -9.513 -3.754 5.058 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.889 -5.286 2.558 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.363 -2.360 3.261 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.468 -3.186 2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.294 -2.382 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.841 -2.959 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.512 -2.353 0.448 1.00 0.00 H new ATOM 620 N ASN A 40 -6.493 -5.671 3.314 1.00 0.00 N ATOM 621 CA ASN A 40 -5.198 -6.077 3.921 1.00 0.00 C ATOM 622 C ASN A 40 -4.063 -5.438 3.121 1.00 0.00 C ATOM 623 O ASN A 40 -3.813 -5.795 1.987 1.00 0.00 O ATOM 624 CB ASN A 40 -5.062 -7.600 3.873 1.00 0.00 C ATOM 625 CG ASN A 40 -3.685 -8.005 4.403 1.00 0.00 C ATOM 626 OD1 ASN A 40 -2.859 -7.160 4.686 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.400 -9.270 4.550 1.00 0.00 N ATOM 0 H ASN A 40 -6.667 -6.040 2.379 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.155 -5.749 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.845 -8.065 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.189 -7.955 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.484 -9.549 4.902 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.093 -9.980 4.313 1.00 0.00 H new ATOM 634 N VAL A 41 -3.381 -4.486 3.694 1.00 0.00 N ATOM 635 CA VAL A 41 -2.275 -3.821 2.953 1.00 0.00 C ATOM 636 C VAL A 41 -0.934 -4.416 3.386 1.00 0.00 C ATOM 637 O VAL A 41 -0.547 -4.331 4.534 1.00 0.00 O ATOM 638 CB VAL A 41 -2.295 -2.321 3.255 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.998 -1.679 2.764 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.482 -1.677 2.537 1.00 0.00 C ATOM 0 H VAL A 41 -3.541 -4.141 4.640 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.407 -3.979 1.883 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.388 -2.170 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.016 -0.611 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.150 -2.138 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.902 -1.829 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.500 -0.608 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.385 -1.832 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.409 -2.132 2.886 1.00 0.00 H new ATOM 650 N VAL A 42 -0.226 -5.021 2.472 1.00 0.00 N ATOM 651 CA VAL A 42 1.089 -5.625 2.824 1.00 0.00 C ATOM 652 C VAL A 42 2.029 -5.535 1.619 1.00 0.00 C ATOM 653 O VAL A 42 1.627 -5.171 0.532 1.00 0.00 O ATOM 654 CB VAL A 42 0.885 -7.092 3.207 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.487 -7.182 4.681 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.225 -7.694 2.342 1.00 0.00 C ATOM 0 H VAL A 42 -0.502 -5.123 1.495 1.00 0.00 H new ATOM 0 HA VAL A 42 1.527 -5.087 3.665 1.00 0.00 H new ATOM 0 HB VAL A 42 1.812 -7.643 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.341 -8.227 4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.276 -6.751 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.440 -6.632 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.372 -8.739 2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.152 -7.144 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.057 -7.628 1.291 1.00 0.00 H new ATOM 666 N PHE A 43 3.279 -5.863 1.803 1.00 0.00 N ATOM 667 CA PHE A 43 4.241 -5.793 0.668 1.00 0.00 C ATOM 668 C PHE A 43 4.917 -7.155 0.492 1.00 0.00 C ATOM 669 O PHE A 43 5.718 -7.570 1.306 1.00 0.00 O ATOM 670 CB PHE A 43 5.304 -4.727 0.954 1.00 0.00 C ATOM 671 CG PHE A 43 4.661 -3.517 1.582 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.142 -3.596 2.878 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.598 -2.311 0.874 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.556 -2.471 3.465 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.015 -1.185 1.465 1.00 0.00 C ATOM 676 CZ PHE A 43 3.494 -1.267 2.761 1.00 0.00 C ATOM 0 H PHE A 43 3.675 -6.176 2.689 1.00 0.00 H new ATOM 0 HA PHE A 43 3.706 -5.529 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.067 -5.131 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.806 -4.444 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.194 -4.526 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.999 -2.250 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.151 -2.533 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.967 -0.253 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.043 -0.398 3.217 1.00 0.00 H new ATOM 686 N ASP A 44 4.599 -7.854 -0.563 1.00 0.00 N ATOM 687 CA ASP A 44 5.220 -9.189 -0.791 1.00 0.00 C ATOM 688 C ASP A 44 6.732 -9.095 -0.575 1.00 0.00 C ATOM 689 O ASP A 44 7.376 -8.164 -1.017 1.00 0.00 O ATOM 690 CB ASP A 44 4.938 -9.643 -2.225 1.00 0.00 C ATOM 691 CG ASP A 44 5.308 -11.119 -2.375 1.00 0.00 C ATOM 692 OD1 ASP A 44 5.869 -11.668 -1.441 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.022 -11.677 -3.422 1.00 0.00 O ATOM 0 H ASP A 44 3.935 -7.557 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 44 4.798 -9.909 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.885 -9.495 -2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.512 -9.040 -2.928 1.00 0.00 H new ATOM 698 N ALA A 45 7.304 -10.053 0.103 1.00 0.00 N ATOM 699 CA ALA A 45 8.771 -10.022 0.348 1.00 0.00 C ATOM 700 C ALA A 45 9.503 -10.623 -0.853 1.00 0.00 C ATOM 701 O ALA A 45 10.394 -11.435 -0.706 1.00 0.00 O ATOM 702 CB ALA A 45 9.096 -10.837 1.602 1.00 0.00 C ATOM 0 H ALA A 45 6.816 -10.857 0.498 1.00 0.00 H new ATOM 0 HA ALA A 45 9.093 -8.990 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.171 -10.815 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.576 -10.409 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.773 -11.868 1.459 1.00 0.00 H new ATOM 708 N ALA A 46 9.129 -10.236 -2.042 1.00 0.00 N ATOM 709 CA ALA A 46 9.802 -10.793 -3.250 1.00 0.00 C ATOM 710 C ALA A 46 10.062 -9.680 -4.271 1.00 0.00 C ATOM 711 O ALA A 46 11.009 -9.735 -5.030 1.00 0.00 O ATOM 712 CB ALA A 46 8.903 -11.858 -3.883 1.00 0.00 C ATOM 0 H ALA A 46 8.388 -9.560 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 46 10.754 -11.235 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.392 -12.268 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.724 -12.657 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.952 -11.408 -4.170 1.00 0.00 H new ATOM 718 N LEU A 47 9.227 -8.677 -4.308 1.00 0.00 N ATOM 719 CA LEU A 47 9.429 -7.578 -5.295 1.00 0.00 C ATOM 720 C LEU A 47 10.022 -6.350 -4.598 1.00 0.00 C ATOM 721 O LEU A 47 9.335 -5.386 -4.327 1.00 0.00 O ATOM 722 CB LEU A 47 8.084 -7.203 -5.925 1.00 0.00 C ATOM 723 CG LEU A 47 7.163 -8.426 -5.942 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.781 -8.015 -6.450 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.749 -9.495 -6.868 1.00 0.00 C ATOM 0 H LEU A 47 8.416 -8.571 -3.699 1.00 0.00 H new ATOM 0 HA LEU A 47 10.116 -7.918 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.620 -6.394 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.237 -6.837 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 47 7.076 -8.828 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.124 -8.885 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.363 -7.254 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.869 -7.612 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.093 -10.365 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.837 -9.093 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.735 -9.788 -6.507 1.00 0.00 H new ATOM 737 N ASN A 48 11.297 -6.375 -4.316 1.00 0.00 N ATOM 738 CA ASN A 48 11.939 -5.208 -3.647 1.00 0.00 C ATOM 739 C ASN A 48 13.146 -4.756 -4.474 1.00 0.00 C ATOM 740 O ASN A 48 13.729 -5.541 -5.196 1.00 0.00 O ATOM 741 CB ASN A 48 12.399 -5.613 -2.247 1.00 0.00 C ATOM 742 CG ASN A 48 12.875 -7.065 -2.269 1.00 0.00 C ATOM 743 OD1 ASN A 48 13.427 -7.521 -3.251 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.687 -7.817 -1.220 1.00 0.00 N ATOM 0 H ASN A 48 11.922 -7.155 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 48 11.223 -4.390 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.205 -4.959 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.581 -5.498 -1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.003 -8.787 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.224 -7.435 -0.395 1.00 0.00 H new ATOM 751 N PRO A 49 13.479 -3.496 -4.350 1.00 0.00 N ATOM 752 CA PRO A 49 14.609 -2.899 -5.082 1.00 0.00 C ATOM 753 C PRO A 49 15.944 -3.247 -4.414 1.00 0.00 C ATOM 754 O PRO A 49 16.998 -3.073 -4.993 1.00 0.00 O ATOM 755 CB PRO A 49 14.334 -1.395 -4.996 1.00 0.00 C ATOM 756 CG PRO A 49 13.413 -1.188 -3.769 1.00 0.00 C ATOM 757 CD PRO A 49 12.761 -2.552 -3.470 1.00 0.00 C ATOM 0 HA PRO A 49 14.688 -3.261 -6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.263 -0.836 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.855 -1.035 -5.906 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.985 -0.836 -2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.654 -0.434 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.870 -2.824 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.693 -2.539 -3.687 1.00 0.00 H new ATOM 765 N ALA A 50 15.916 -3.735 -3.203 1.00 0.00 N ATOM 766 CA ALA A 50 17.196 -4.081 -2.522 1.00 0.00 C ATOM 767 C ALA A 50 17.068 -5.433 -1.826 1.00 0.00 C ATOM 768 O ALA A 50 17.782 -5.727 -0.887 1.00 0.00 O ATOM 769 CB ALA A 50 17.539 -3.004 -1.491 1.00 0.00 C ATOM 0 H ALA A 50 15.070 -3.908 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 50 17.990 -4.136 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.475 -3.260 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.645 -2.042 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.741 -2.942 -0.751 1.00 0.00 H new ATOM 775 N LYS A 51 16.173 -6.255 -2.295 1.00 0.00 N ATOM 776 CA LYS A 51 15.981 -7.607 -1.687 1.00 0.00 C ATOM 777 C LYS A 51 16.188 -7.537 -0.172 1.00 0.00 C ATOM 778 O LYS A 51 17.276 -7.755 0.324 1.00 0.00 O ATOM 779 CB LYS A 51 16.990 -8.583 -2.292 1.00 0.00 C ATOM 780 CG LYS A 51 16.962 -9.894 -1.505 1.00 0.00 C ATOM 781 CD LYS A 51 15.548 -10.477 -1.540 1.00 0.00 C ATOM 782 CE LYS A 51 15.613 -11.940 -1.979 1.00 0.00 C ATOM 783 NZ LYS A 51 15.557 -12.821 -0.779 1.00 0.00 N ATOM 0 H LYS A 51 15.558 -6.049 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 51 14.967 -7.949 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.750 -8.769 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.991 -8.152 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.670 -10.603 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.270 -9.719 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.087 -10.401 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.924 -9.907 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.784 -12.167 -2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.532 -12.123 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.601 -13.816 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.362 -12.610 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.668 -12.652 -0.266 1.00 0.00 H new ATOM 797 N SER A 52 15.158 -7.234 0.569 1.00 0.00 N ATOM 798 CA SER A 52 15.312 -7.150 2.049 1.00 0.00 C ATOM 799 C SER A 52 14.122 -7.826 2.732 1.00 0.00 C ATOM 800 O SER A 52 13.073 -8.001 2.146 1.00 0.00 O ATOM 801 CB SER A 52 15.376 -5.682 2.473 1.00 0.00 C ATOM 802 OG SER A 52 16.653 -5.152 2.142 1.00 0.00 O ATOM 0 H SER A 52 14.221 -7.042 0.216 1.00 0.00 H new ATOM 0 HA SER A 52 16.232 -7.656 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.593 -5.113 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.200 -5.593 3.545 1.00 0.00 H new ATOM 0 HG SER A 52 16.836 -5.308 1.192 1.00 0.00 H new ATOM 808 N ALA A 53 14.279 -8.205 3.971 1.00 0.00 N ATOM 809 CA ALA A 53 13.160 -8.868 4.697 1.00 0.00 C ATOM 810 C ALA A 53 12.968 -8.191 6.055 1.00 0.00 C ATOM 811 O ALA A 53 12.792 -8.843 7.065 1.00 0.00 O ATOM 812 CB ALA A 53 13.493 -10.346 4.907 1.00 0.00 C ATOM 0 H ALA A 53 15.135 -8.084 4.512 1.00 0.00 H new ATOM 0 HA ALA A 53 12.244 -8.783 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.674 -10.831 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.634 -10.828 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.408 -10.433 5.493 1.00 0.00 H new ATOM 818 N ASP A 54 13.001 -6.887 6.086 1.00 0.00 N ATOM 819 CA ASP A 54 12.823 -6.169 7.375 1.00 0.00 C ATOM 820 C ASP A 54 12.039 -4.877 7.140 1.00 0.00 C ATOM 821 O ASP A 54 11.176 -4.515 7.916 1.00 0.00 O ATOM 822 CB ASP A 54 14.193 -5.836 7.968 1.00 0.00 C ATOM 823 CG ASP A 54 14.928 -4.868 7.040 1.00 0.00 C ATOM 824 OD1 ASP A 54 14.623 -3.688 7.085 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.785 -5.324 6.299 1.00 0.00 O ATOM 0 H ASP A 54 13.144 -6.289 5.272 1.00 0.00 H new ATOM 0 HA ASP A 54 12.272 -6.804 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.075 -5.391 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.777 -6.747 8.097 1.00 0.00 H new ATOM 830 N LEU A 55 12.328 -4.174 6.079 1.00 0.00 N ATOM 831 CA LEU A 55 11.592 -2.907 5.809 1.00 0.00 C ATOM 832 C LEU A 55 10.095 -3.211 5.692 1.00 0.00 C ATOM 833 O LEU A 55 9.261 -2.333 5.800 1.00 0.00 O ATOM 834 CB LEU A 55 12.110 -2.274 4.510 1.00 0.00 C ATOM 835 CG LEU A 55 11.436 -2.919 3.295 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.145 -2.166 2.971 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.381 -2.849 2.093 1.00 0.00 C ATOM 0 H LEU A 55 13.039 -4.421 5.390 1.00 0.00 H new ATOM 0 HA LEU A 55 11.753 -2.205 6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.913 -1.202 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.191 -2.399 4.443 1.00 0.00 H new ATOM 0 HG LEU A 55 11.204 -3.961 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.664 -2.624 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.472 -2.212 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.377 -1.125 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.903 -3.308 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.611 -1.807 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.303 -3.383 2.324 1.00 0.00 H new ATOM 849 N ALA A 56 9.751 -4.451 5.474 1.00 0.00 N ATOM 850 CA ALA A 56 8.312 -4.816 5.354 1.00 0.00 C ATOM 851 C ALA A 56 7.761 -5.163 6.738 1.00 0.00 C ATOM 852 O ALA A 56 6.643 -4.827 7.075 1.00 0.00 O ATOM 853 CB ALA A 56 8.170 -6.027 4.427 1.00 0.00 C ATOM 0 H ALA A 56 10.405 -5.227 5.374 1.00 0.00 H new ATOM 0 HA ALA A 56 7.754 -3.976 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.117 -6.296 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.566 -5.780 3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.726 -6.869 4.840 1.00 0.00 H new ATOM 859 N LYS A 57 8.540 -5.831 7.546 1.00 0.00 N ATOM 860 CA LYS A 57 8.062 -6.197 8.910 1.00 0.00 C ATOM 861 C LYS A 57 7.362 -4.992 9.539 1.00 0.00 C ATOM 862 O LYS A 57 6.300 -5.110 10.118 1.00 0.00 O ATOM 863 CB LYS A 57 9.257 -6.607 9.775 1.00 0.00 C ATOM 864 CG LYS A 57 8.895 -7.846 10.596 1.00 0.00 C ATOM 865 CD LYS A 57 9.544 -9.083 9.972 1.00 0.00 C ATOM 866 CE LYS A 57 10.683 -9.571 10.870 1.00 0.00 C ATOM 867 NZ LYS A 57 11.489 -10.589 10.138 1.00 0.00 N ATOM 0 H LYS A 57 9.486 -6.139 7.320 1.00 0.00 H new ATOM 0 HA LYS A 57 7.362 -7.030 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.121 -6.816 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.537 -5.788 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.234 -7.725 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.812 -7.969 10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.802 -9.872 9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.926 -8.844 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.315 -8.732 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.279 -10.001 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.264 -10.922 10.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.882 -11.393 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.885 -10.164 9.276 1.00 0.00 H new ATOM 881 N SER A 58 7.948 -3.832 9.427 1.00 0.00 N ATOM 882 CA SER A 58 7.314 -2.618 10.015 1.00 0.00 C ATOM 883 C SER A 58 6.565 -1.861 8.917 1.00 0.00 C ATOM 884 O SER A 58 6.470 -0.650 8.939 1.00 0.00 O ATOM 885 CB SER A 58 8.396 -1.718 10.613 1.00 0.00 C ATOM 886 OG SER A 58 8.056 -1.404 11.957 1.00 0.00 O ATOM 0 H SER A 58 8.838 -3.672 8.954 1.00 0.00 H new ATOM 0 HA SER A 58 6.615 -2.910 10.799 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.363 -2.220 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.490 -0.804 10.027 1.00 0.00 H new ATOM 0 HG SER A 58 8.749 -0.829 12.344 1.00 0.00 H new ATOM 892 N LEU A 59 6.033 -2.567 7.955 1.00 0.00 N ATOM 893 CA LEU A 59 5.291 -1.891 6.853 1.00 0.00 C ATOM 894 C LEU A 59 3.965 -2.611 6.609 1.00 0.00 C ATOM 895 O LEU A 59 2.915 -2.000 6.562 1.00 0.00 O ATOM 896 CB LEU A 59 6.128 -1.936 5.572 1.00 0.00 C ATOM 897 CG LEU A 59 5.802 -0.728 4.698 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.410 0.530 5.321 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.393 -0.943 3.303 1.00 0.00 C ATOM 0 H LEU A 59 6.081 -3.584 7.885 1.00 0.00 H new ATOM 0 HA LEU A 59 5.099 -0.855 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.189 -1.941 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.924 -2.857 5.026 1.00 0.00 H new ATOM 0 HG LEU A 59 4.721 -0.609 4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.178 1.393 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.995 0.680 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.491 0.414 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.163 -0.083 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.474 -1.058 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.963 -1.841 2.860 1.00 0.00 H new ATOM 911 N SER A 60 4.005 -3.904 6.436 1.00 0.00 N ATOM 912 CA SER A 60 2.749 -4.664 6.175 1.00 0.00 C ATOM 913 C SER A 60 1.993 -4.880 7.487 1.00 0.00 C ATOM 914 O SER A 60 2.501 -5.468 8.420 1.00 0.00 O ATOM 915 CB SER A 60 3.101 -6.020 5.561 1.00 0.00 C ATOM 916 OG SER A 60 4.446 -6.346 5.883 1.00 0.00 O ATOM 0 H SER A 60 4.854 -4.468 6.464 1.00 0.00 H new ATOM 0 HA SER A 60 2.119 -4.100 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.428 -6.789 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.972 -5.987 4.479 1.00 0.00 H new ATOM 0 HG SER A 60 4.674 -7.215 5.492 1.00 0.00 H new ATOM 922 N HIS A 61 0.778 -4.406 7.564 1.00 0.00 N ATOM 923 CA HIS A 61 -0.015 -4.580 8.814 1.00 0.00 C ATOM 924 C HIS A 61 -0.988 -5.753 8.645 1.00 0.00 C ATOM 925 O HIS A 61 -1.771 -5.793 7.717 1.00 0.00 O ATOM 926 CB HIS A 61 -0.795 -3.290 9.106 1.00 0.00 C ATOM 927 CG HIS A 61 -2.004 -3.206 8.212 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.185 -3.879 8.505 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.230 -2.539 7.033 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.057 -3.601 7.516 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.525 -2.792 6.600 1.00 0.00 N ATOM 0 H HIS A 61 0.301 -3.906 6.814 1.00 0.00 H new ATOM 0 HA HIS A 61 0.655 -4.791 9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.103 -3.270 10.151 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.154 -2.423 8.946 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.359 -4.472 9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.512 -1.915 6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.065 -3.987 7.471 1.00 0.00 H new ATOM 939 N LYS A 62 -0.944 -6.708 9.534 1.00 0.00 N ATOM 940 CA LYS A 62 -1.866 -7.875 9.418 1.00 0.00 C ATOM 941 C LYS A 62 -3.259 -7.480 9.915 1.00 0.00 C ATOM 942 O LYS A 62 -4.263 -7.900 9.376 1.00 0.00 O ATOM 943 CB LYS A 62 -1.334 -9.036 10.262 1.00 0.00 C ATOM 944 CG LYS A 62 -0.848 -10.156 9.340 1.00 0.00 C ATOM 945 CD LYS A 62 0.192 -11.007 10.073 1.00 0.00 C ATOM 946 CE LYS A 62 -0.516 -11.973 11.026 1.00 0.00 C ATOM 947 NZ LYS A 62 -1.392 -12.890 10.243 1.00 0.00 N ATOM 0 H LYS A 62 -0.311 -6.731 10.334 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.927 -8.183 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.517 -8.693 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.117 -9.408 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.689 -10.777 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.414 -9.733 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.793 -11.564 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.875 -10.365 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.218 -12.548 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.110 -11.416 11.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.506 -13.786 10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.324 -12.448 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.959 -13.077 9.316 1.00 0.00 H new ATOM 961 N GLN A 63 -3.329 -6.676 10.941 1.00 0.00 N ATOM 962 CA GLN A 63 -4.659 -6.259 11.470 1.00 0.00 C ATOM 963 C GLN A 63 -5.568 -5.861 10.306 1.00 0.00 C ATOM 964 O GLN A 63 -5.242 -4.997 9.517 1.00 0.00 O ATOM 965 CB GLN A 63 -4.485 -5.064 12.410 1.00 0.00 C ATOM 966 CG GLN A 63 -5.357 -5.259 13.652 1.00 0.00 C ATOM 967 CD GLN A 63 -5.252 -4.025 14.549 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.568 -2.928 14.133 1.00 0.00 O ATOM 969 NE2 GLN A 63 -4.820 -4.159 15.772 1.00 0.00 N ATOM 0 H GLN A 63 -2.524 -6.290 11.435 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.107 -7.089 12.017 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.439 -4.965 12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.763 -4.142 11.899 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.394 -5.421 13.359 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.037 -6.147 14.198 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.555 -5.080 16.121 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.747 -3.343 16.380 1.00 0.00 H new ATOM 978 N LEU A 64 -6.709 -6.484 10.194 1.00 0.00 N ATOM 979 CA LEU A 64 -7.638 -6.140 9.081 1.00 0.00 C ATOM 980 C LEU A 64 -8.337 -4.814 9.391 1.00 0.00 C ATOM 981 O LEU A 64 -8.235 -4.288 10.481 1.00 0.00 O ATOM 982 CB LEU A 64 -8.684 -7.245 8.930 1.00 0.00 C ATOM 983 CG LEU A 64 -8.048 -8.457 8.251 1.00 0.00 C ATOM 984 CD1 LEU A 64 -7.788 -9.547 9.292 1.00 0.00 C ATOM 985 CD2 LEU A 64 -8.997 -8.995 7.178 1.00 0.00 C ATOM 0 H LEU A 64 -7.038 -7.215 10.824 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.074 -6.045 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.076 -7.526 9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.527 -6.885 8.340 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.105 -8.162 7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.334 -10.412 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.114 -9.165 10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.731 -9.842 9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.545 -9.860 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.939 -9.290 7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.184 -8.219 6.436 1.00 0.00 H new ATOM 997 N LEU A 65 -9.046 -4.267 8.440 1.00 0.00 N ATOM 998 CA LEU A 65 -9.747 -2.974 8.684 1.00 0.00 C ATOM 999 C LEU A 65 -11.179 -3.251 9.150 1.00 0.00 C ATOM 1000 O LEU A 65 -11.586 -4.388 9.284 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.769 -2.161 7.386 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.394 -1.521 7.152 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.283 -2.519 7.490 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -8.266 -1.107 5.684 1.00 0.00 C ATOM 0 H LEU A 65 -9.170 -4.659 7.507 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.224 -2.409 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.028 -2.806 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.535 -1.388 7.443 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.299 -0.646 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.312 -2.054 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.366 -2.815 8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.379 -3.400 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.289 -0.652 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.370 -1.986 5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.047 -0.387 5.439 1.00 0.00 H new ATOM 1016 N MET A 66 -11.947 -2.225 9.407 1.00 0.00 N ATOM 1017 CA MET A 66 -13.346 -2.449 9.871 1.00 0.00 C ATOM 1018 C MET A 66 -14.267 -1.355 9.319 1.00 0.00 C ATOM 1019 O MET A 66 -15.327 -1.633 8.794 1.00 0.00 O ATOM 1020 CB MET A 66 -13.390 -2.416 11.402 1.00 0.00 C ATOM 1021 CG MET A 66 -12.234 -3.241 11.971 1.00 0.00 C ATOM 1022 SD MET A 66 -12.072 -2.903 13.743 1.00 0.00 S ATOM 1023 CE MET A 66 -11.840 -4.614 14.286 1.00 0.00 C ATOM 0 H MET A 66 -11.668 -1.248 9.316 1.00 0.00 H new ATOM 0 HA MET A 66 -13.685 -3.420 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.323 -1.387 11.755 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.341 -2.813 11.756 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.415 -4.303 11.807 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.306 -2.992 11.455 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.718 -4.639 15.369 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.711 -5.206 14.006 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.951 -5.029 13.811 1.00 0.00 H new ATOM 1033 N SER A 67 -13.883 -0.114 9.445 1.00 0.00 N ATOM 1034 CA SER A 67 -14.751 0.989 8.938 1.00 0.00 C ATOM 1035 C SER A 67 -14.572 1.151 7.422 1.00 0.00 C ATOM 1036 O SER A 67 -13.487 0.972 6.908 1.00 0.00 O ATOM 1037 CB SER A 67 -14.372 2.296 9.635 1.00 0.00 C ATOM 1038 OG SER A 67 -15.188 3.347 9.135 1.00 0.00 O ATOM 0 H SER A 67 -13.008 0.184 9.876 1.00 0.00 H new ATOM 0 HA SER A 67 -15.792 0.746 9.149 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.504 2.199 10.713 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.320 2.523 9.462 1.00 0.00 H new ATOM 0 HG SER A 67 -14.854 3.632 8.259 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.652 1.492 6.757 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.666 1.695 5.294 1.00 0.00 C ATOM 1046 C PRO A 68 -15.115 3.082 4.940 1.00 0.00 C ATOM 1047 O PRO A 68 -15.838 4.059 4.947 1.00 0.00 O ATOM 1048 CB PRO A 68 -17.153 1.605 4.938 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.935 1.930 6.233 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.963 1.703 7.405 1.00 0.00 C ATOM 0 HA PRO A 68 -15.052 0.973 4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.405 2.309 4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.405 0.610 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -18.293 2.959 6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.811 1.289 6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.941 2.562 8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.255 0.839 8.002 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.848 3.190 4.627 1.00 0.00 N ATOM 1059 CA GLY A 69 -13.296 4.531 4.276 1.00 0.00 C ATOM 1060 C GLY A 69 -12.230 4.935 5.293 1.00 0.00 C ATOM 1061 O GLY A 69 -12.249 6.028 5.824 1.00 0.00 O ATOM 0 H GLY A 69 -13.181 2.419 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.866 4.506 3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.096 5.271 4.261 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.296 4.068 5.563 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.225 4.406 6.542 1.00 0.00 C ATOM 1067 C GLN A 70 -9.450 3.140 6.906 1.00 0.00 C ATOM 1068 O GLN A 70 -9.945 2.277 7.602 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.849 5.004 7.806 1.00 0.00 C ATOM 1070 CG GLN A 70 -12.077 4.186 8.215 1.00 0.00 C ATOM 1071 CD GLN A 70 -13.212 5.131 8.618 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -14.251 5.154 7.990 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -13.054 5.919 9.647 1.00 0.00 N ATOM 0 H GLN A 70 -11.227 3.139 5.148 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.547 5.134 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.119 5.010 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.134 6.041 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.395 3.551 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.827 3.526 9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.181 5.900 10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.803 6.554 9.923 1.00 0.00 H new ATOM 1082 N SER A 71 -8.235 3.022 6.443 1.00 0.00 N ATOM 1083 CA SER A 71 -7.434 1.810 6.768 1.00 0.00 C ATOM 1084 C SER A 71 -6.458 2.133 7.909 1.00 0.00 C ATOM 1085 O SER A 71 -6.827 2.165 9.066 1.00 0.00 O ATOM 1086 CB SER A 71 -6.635 1.378 5.544 1.00 0.00 C ATOM 1087 OG SER A 71 -5.708 2.407 5.220 1.00 0.00 O ATOM 0 H SER A 71 -7.765 3.711 5.856 1.00 0.00 H new ATOM 0 HA SER A 71 -8.107 1.008 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.109 0.445 5.746 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.303 1.192 4.703 1.00 0.00 H new ATOM 0 HG SER A 71 -5.271 2.197 4.368 1.00 0.00 H new ATOM 1093 N THR A 72 -5.212 2.383 7.584 1.00 0.00 N ATOM 1094 CA THR A 72 -4.204 2.713 8.627 1.00 0.00 C ATOM 1095 C THR A 72 -3.206 3.709 8.037 1.00 0.00 C ATOM 1096 O THR A 72 -3.498 4.396 7.078 1.00 0.00 O ATOM 1097 CB THR A 72 -3.466 1.438 9.052 1.00 0.00 C ATOM 1098 OG1 THR A 72 -2.658 0.978 7.977 1.00 0.00 O ATOM 1099 CG2 THR A 72 -4.482 0.357 9.426 1.00 0.00 C ATOM 0 H THR A 72 -4.852 2.371 6.630 1.00 0.00 H new ATOM 0 HA THR A 72 -4.695 3.145 9.499 1.00 0.00 H new ATOM 0 HB THR A 72 -2.836 1.655 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.185 0.164 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.955 -0.548 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.101 0.709 10.251 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.115 0.139 8.566 1.00 0.00 H new ATOM 1107 N SER A 73 -2.032 3.794 8.591 1.00 0.00 N ATOM 1108 CA SER A 73 -1.025 4.747 8.044 1.00 0.00 C ATOM 1109 C SER A 73 0.366 4.121 8.132 1.00 0.00 C ATOM 1110 O SER A 73 1.040 4.214 9.138 1.00 0.00 O ATOM 1111 CB SER A 73 -1.056 6.047 8.849 1.00 0.00 C ATOM 1112 OG SER A 73 -1.363 5.752 10.205 1.00 0.00 O ATOM 0 H SER A 73 -1.725 3.248 9.396 1.00 0.00 H new ATOM 0 HA SER A 73 -1.260 4.965 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.092 6.552 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.801 6.727 8.435 1.00 0.00 H new ATOM 0 HG SER A 73 -1.382 6.583 10.724 1.00 0.00 H new ATOM 1118 N THR A 74 0.798 3.481 7.083 1.00 0.00 N ATOM 1119 CA THR A 74 2.143 2.847 7.100 1.00 0.00 C ATOM 1120 C THR A 74 3.217 3.934 7.158 1.00 0.00 C ATOM 1121 O THR A 74 3.519 4.575 6.171 1.00 0.00 O ATOM 1122 CB THR A 74 2.327 2.011 5.832 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.254 1.086 5.718 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.652 1.253 5.907 1.00 0.00 C ATOM 0 H THR A 74 0.277 3.370 6.213 1.00 0.00 H new ATOM 0 HA THR A 74 2.232 2.203 7.975 1.00 0.00 H new ATOM 0 HB THR A 74 2.336 2.666 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.783 1.234 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.782 0.658 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.473 1.964 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.647 0.596 6.777 1.00 0.00 H new ATOM 1132 N THR A 75 3.800 4.145 8.306 1.00 0.00 N ATOM 1133 CA THR A 75 4.856 5.187 8.424 1.00 0.00 C ATOM 1134 C THR A 75 6.163 4.631 7.863 1.00 0.00 C ATOM 1135 O THR A 75 7.038 4.215 8.597 1.00 0.00 O ATOM 1136 CB THR A 75 5.048 5.555 9.898 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.789 5.541 10.557 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.667 6.950 10.005 1.00 0.00 C ATOM 0 H THR A 75 3.590 3.640 9.167 1.00 0.00 H new ATOM 0 HA THR A 75 4.563 6.077 7.867 1.00 0.00 H new ATOM 0 HB THR A 75 5.713 4.830 10.368 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.911 5.775 11.501 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.802 7.209 11.055 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.634 6.959 9.502 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.007 7.678 9.534 1.00 0.00 H new ATOM 1146 N PHE A 76 6.293 4.614 6.563 1.00 0.00 N ATOM 1147 CA PHE A 76 7.535 4.082 5.936 1.00 0.00 C ATOM 1148 C PHE A 76 8.753 4.552 6.744 1.00 0.00 C ATOM 1149 O PHE A 76 8.761 5.650 7.264 1.00 0.00 O ATOM 1150 CB PHE A 76 7.632 4.594 4.497 1.00 0.00 C ATOM 1151 CG PHE A 76 6.927 3.631 3.567 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.541 3.728 3.363 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.661 2.640 2.904 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.899 2.833 2.498 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.017 1.748 2.040 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.636 1.845 1.837 1.00 0.00 C ATOM 0 H PHE A 76 5.588 4.948 5.906 1.00 0.00 H new ATOM 0 HA PHE A 76 7.510 2.992 5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.182 5.584 4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.678 4.696 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.971 4.491 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.727 2.564 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.833 2.906 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.586 0.985 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.139 1.157 1.170 1.00 0.00 H new ATOM 1166 N PRO A 77 9.740 3.696 6.838 1.00 0.00 N ATOM 1167 CA PRO A 77 10.974 3.982 7.595 1.00 0.00 C ATOM 1168 C PRO A 77 11.903 4.908 6.807 1.00 0.00 C ATOM 1169 O PRO A 77 11.707 5.153 5.633 1.00 0.00 O ATOM 1170 CB PRO A 77 11.610 2.601 7.776 1.00 0.00 C ATOM 1171 CG PRO A 77 11.029 1.701 6.660 1.00 0.00 C ATOM 1172 CD PRO A 77 9.720 2.366 6.195 1.00 0.00 C ATOM 0 HA PRO A 77 10.781 4.491 8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.696 2.661 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.381 2.194 8.761 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.732 1.608 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.841 0.694 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.680 2.449 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.849 1.788 6.503 1.00 0.00 H new ATOM 1180 N ALA A 78 12.919 5.421 7.450 1.00 0.00 N ATOM 1181 CA ALA A 78 13.870 6.329 6.750 1.00 0.00 C ATOM 1182 C ALA A 78 14.897 5.496 5.981 1.00 0.00 C ATOM 1183 O ALA A 78 15.875 6.010 5.474 1.00 0.00 O ATOM 1184 CB ALA A 78 14.593 7.202 7.777 1.00 0.00 C ATOM 0 H ALA A 78 13.130 5.249 8.433 1.00 0.00 H new ATOM 0 HA ALA A 78 13.320 6.964 6.055 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.289 7.866 7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.863 7.796 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.143 6.567 8.472 1.00 0.00 H new ATOM 1190 N ASP A 79 14.683 4.213 5.886 1.00 0.00 N ATOM 1191 CA ASP A 79 15.645 3.350 5.148 1.00 0.00 C ATOM 1192 C ASP A 79 15.100 3.091 3.744 1.00 0.00 C ATOM 1193 O ASP A 79 15.830 2.735 2.842 1.00 0.00 O ATOM 1194 CB ASP A 79 15.809 2.020 5.888 1.00 0.00 C ATOM 1195 CG ASP A 79 17.018 1.268 5.327 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.073 1.872 5.225 1.00 0.00 O ATOM 1197 OD2 ASP A 79 16.867 0.100 5.009 1.00 0.00 O ATOM 0 H ASP A 79 13.883 3.725 6.288 1.00 0.00 H new ATOM 0 HA ASP A 79 16.614 3.846 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.942 2.200 6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.908 1.416 5.776 1.00 0.00 H new ATOM 1202 N ALA A 80 13.818 3.277 3.558 1.00 0.00 N ATOM 1203 CA ALA A 80 13.208 3.054 2.215 1.00 0.00 C ATOM 1204 C ALA A 80 14.148 3.586 1.130 1.00 0.00 C ATOM 1205 O ALA A 80 14.188 4.775 0.880 1.00 0.00 O ATOM 1206 CB ALA A 80 11.875 3.801 2.138 1.00 0.00 C ATOM 0 H ALA A 80 13.166 3.575 4.283 1.00 0.00 H new ATOM 0 HA ALA A 80 13.044 1.987 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.425 3.642 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.204 3.428 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.046 4.867 2.290 1.00 0.00 H new ATOM 1212 N PRO A 81 14.883 2.690 0.518 1.00 0.00 N ATOM 1213 CA PRO A 81 15.839 3.048 -0.545 1.00 0.00 C ATOM 1214 C PRO A 81 15.098 3.337 -1.852 1.00 0.00 C ATOM 1215 O PRO A 81 14.220 2.600 -2.256 1.00 0.00 O ATOM 1216 CB PRO A 81 16.717 1.800 -0.675 1.00 0.00 C ATOM 1217 CG PRO A 81 15.889 0.623 -0.107 1.00 0.00 C ATOM 1218 CD PRO A 81 14.828 1.243 0.821 1.00 0.00 C ATOM 0 HA PRO A 81 16.417 3.945 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.984 1.620 -1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.649 1.921 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.418 0.056 -0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.526 -0.071 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.838 0.832 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.052 1.047 1.869 1.00 0.00 H new ATOM 1226 N ALA A 82 15.444 4.405 -2.516 1.00 0.00 N ATOM 1227 CA ALA A 82 14.758 4.738 -3.794 1.00 0.00 C ATOM 1228 C ALA A 82 14.660 3.481 -4.659 1.00 0.00 C ATOM 1229 O ALA A 82 15.604 2.726 -4.783 1.00 0.00 O ATOM 1230 CB ALA A 82 15.557 5.808 -4.539 1.00 0.00 C ATOM 0 H ALA A 82 16.171 5.060 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 82 13.757 5.115 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.054 6.052 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.629 6.704 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.558 5.432 -4.752 1.00 0.00 H new ATOM 1236 N GLY A 83 13.526 3.249 -5.257 1.00 0.00 N ATOM 1237 CA GLY A 83 13.372 2.040 -6.113 1.00 0.00 C ATOM 1238 C GLY A 83 11.895 1.827 -6.440 1.00 0.00 C ATOM 1239 O GLY A 83 11.168 2.761 -6.711 1.00 0.00 O ATOM 0 H GLY A 83 12.700 3.843 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.945 2.158 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.771 1.165 -5.599 1.00 0.00 H new ATOM 1243 N GLU A 84 11.446 0.602 -6.421 1.00 0.00 N ATOM 1244 CA GLU A 84 10.016 0.331 -6.737 1.00 0.00 C ATOM 1245 C GLU A 84 9.445 -0.670 -5.730 1.00 0.00 C ATOM 1246 O GLU A 84 9.910 -1.786 -5.614 1.00 0.00 O ATOM 1247 CB GLU A 84 9.909 -0.252 -8.149 1.00 0.00 C ATOM 1248 CG GLU A 84 10.089 0.865 -9.179 1.00 0.00 C ATOM 1249 CD GLU A 84 11.513 0.822 -9.734 1.00 0.00 C ATOM 1250 OE1 GLU A 84 12.432 1.086 -8.976 1.00 0.00 O ATOM 1251 OE2 GLU A 84 11.662 0.526 -10.908 1.00 0.00 O ATOM 0 H GLU A 84 12.007 -0.221 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 84 9.452 1.262 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.668 -1.021 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.939 -0.732 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.368 0.748 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.896 1.834 -8.718 1.00 0.00 H new ATOM 1258 N TYR A 85 8.431 -0.279 -5.008 1.00 0.00 N ATOM 1259 CA TYR A 85 7.818 -1.206 -4.016 1.00 0.00 C ATOM 1260 C TYR A 85 6.527 -1.771 -4.609 1.00 0.00 C ATOM 1261 O TYR A 85 6.165 -1.460 -5.726 1.00 0.00 O ATOM 1262 CB TYR A 85 7.508 -0.443 -2.726 1.00 0.00 C ATOM 1263 CG TYR A 85 8.790 0.112 -2.152 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.521 1.067 -2.869 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.249 -0.328 -0.904 1.00 0.00 C ATOM 1266 CE1 TYR A 85 10.708 1.582 -2.341 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.439 0.189 -0.375 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.168 1.144 -1.095 1.00 0.00 C ATOM 1269 OH TYR A 85 12.339 1.655 -0.577 1.00 0.00 O ATOM 0 H TYR A 85 8.000 0.644 -5.063 1.00 0.00 H new ATOM 0 HA TYR A 85 8.506 -2.020 -3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.807 0.367 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.030 -1.105 -2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.167 1.406 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.686 -1.065 -0.350 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.270 2.319 -2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.794 -0.149 0.587 1.00 0.00 H new ATOM 0 HH TYR A 85 12.979 1.807 -1.303 1.00 0.00 H new ATOM 1279 N THR A 86 5.828 -2.602 -3.885 1.00 0.00 N ATOM 1280 CA THR A 86 4.569 -3.172 -4.442 1.00 0.00 C ATOM 1281 C THR A 86 3.717 -3.775 -3.324 1.00 0.00 C ATOM 1282 O THR A 86 4.091 -4.745 -2.697 1.00 0.00 O ATOM 1283 CB THR A 86 4.915 -4.265 -5.454 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.597 -3.687 -6.558 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.630 -4.943 -5.937 1.00 0.00 C ATOM 0 H THR A 86 6.070 -2.908 -2.943 1.00 0.00 H new ATOM 0 HA THR A 86 4.005 -2.376 -4.928 1.00 0.00 H new ATOM 0 HB THR A 86 5.557 -5.009 -4.982 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.537 -2.710 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.878 -5.722 -6.658 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.112 -5.387 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.984 -4.203 -6.410 1.00 0.00 H new ATOM 1293 N PHE A 87 2.562 -3.218 -3.087 1.00 0.00 N ATOM 1294 CA PHE A 87 1.673 -3.765 -2.031 1.00 0.00 C ATOM 1295 C PHE A 87 0.452 -4.396 -2.699 1.00 0.00 C ATOM 1296 O PHE A 87 0.165 -4.134 -3.850 1.00 0.00 O ATOM 1297 CB PHE A 87 1.222 -2.648 -1.087 1.00 0.00 C ATOM 1298 CG PHE A 87 1.158 -1.356 -1.850 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.333 -0.653 -2.124 1.00 0.00 C ATOM 1300 CD2 PHE A 87 -0.073 -0.870 -2.295 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.279 0.540 -2.844 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.130 0.323 -3.018 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.046 1.032 -3.293 1.00 0.00 C ATOM 0 H PHE A 87 2.197 -2.405 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 87 2.213 -4.513 -1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.245 -2.884 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.917 -2.558 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.283 -1.033 -1.778 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.980 -1.416 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.187 1.085 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.081 0.699 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.003 1.956 -3.850 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.271 -5.224 -1.999 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.465 -5.856 -2.617 1.00 0.00 C ATOM 1315 C TYR A 88 -2.520 -6.137 -1.546 1.00 0.00 C ATOM 1316 O TYR A 88 -2.494 -5.572 -0.470 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.061 -7.164 -3.300 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.565 -8.142 -2.264 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.763 -8.083 -1.827 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.431 -9.110 -1.744 1.00 0.00 C ATOM 1321 CE1 TYR A 88 1.225 -8.992 -0.868 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -0.970 -10.019 -0.785 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.358 -9.960 -0.347 1.00 0.00 C ATOM 1324 OH TYR A 88 0.813 -10.856 0.599 1.00 0.00 O ATOM 0 H TYR A 88 -0.087 -5.488 -1.031 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.884 -5.176 -3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.912 -7.585 -3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.282 -6.975 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.431 -7.336 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.455 -9.156 -2.083 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.250 -8.947 -0.530 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.639 -10.766 -0.383 1.00 0.00 H new ATOM 0 HH TYR A 88 0.084 -11.459 0.856 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.457 -6.996 -1.839 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.524 -7.304 -0.847 1.00 0.00 C ATOM 1336 C CYS A 89 -4.750 -8.816 -0.780 1.00 0.00 C ATOM 1337 O CYS A 89 -4.996 -9.459 -1.781 1.00 0.00 O ATOM 1338 CB CYS A 89 -5.821 -6.626 -1.288 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.376 -5.467 -0.017 1.00 0.00 S ATOM 0 H CYS A 89 -3.529 -7.498 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.222 -6.940 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.664 -6.099 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.590 -7.377 -1.468 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.681 -9.388 0.391 1.00 0.00 N ATOM 1345 CA GLU A 90 -4.905 -10.855 0.512 1.00 0.00 C ATOM 1346 C GLU A 90 -6.307 -11.216 -0.004 1.00 0.00 C ATOM 1347 O GLU A 90 -6.455 -12.162 -0.753 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.770 -11.287 1.975 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.349 -12.758 2.029 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.165 -12.920 2.985 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -2.126 -12.343 2.712 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -3.318 -13.621 3.971 1.00 0.00 O ATOM 0 H GLU A 90 -4.480 -8.904 1.266 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.157 -11.375 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.032 -10.666 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.717 -11.148 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.185 -13.374 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.075 -13.105 1.033 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.302 -10.460 0.409 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.696 -10.701 -0.006 1.00 0.00 C ATOM 1361 C PRO A 91 -8.943 -10.159 -1.420 1.00 0.00 C ATOM 1362 O PRO A 91 -9.135 -10.913 -2.353 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.519 -9.933 1.031 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.581 -8.856 1.625 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.139 -9.305 1.320 1.00 0.00 C ATOM 0 HA PRO A 91 -8.953 -11.760 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.394 -9.474 0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.884 -10.602 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.784 -7.880 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.736 -8.758 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.564 -8.506 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.609 -9.587 2.230 1.00 0.00 H new ATOM 1373 N HIS A 92 -8.943 -8.862 -1.590 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.179 -8.294 -2.950 1.00 0.00 C ATOM 1375 C HIS A 92 -8.004 -8.654 -3.863 1.00 0.00 C ATOM 1376 O HIS A 92 -7.282 -7.795 -4.329 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.303 -6.769 -2.871 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.087 -6.380 -1.648 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -9.478 -5.822 -0.530 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -11.427 -6.460 -1.351 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -10.448 -5.599 0.376 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -11.642 -5.969 -0.077 1.00 0.00 N ATOM 0 H HIS A 92 -8.791 -8.176 -0.851 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.103 -8.710 -3.351 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.312 -6.316 -2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.796 -6.389 -3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.191 -6.846 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.277 -5.171 1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.533 -5.904 0.415 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.805 -9.917 -4.120 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.676 -10.331 -4.999 1.00 0.00 C ATOM 1392 C ARG A 93 -7.164 -10.438 -6.445 1.00 0.00 C ATOM 1393 O ARG A 93 -6.384 -10.607 -7.362 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.150 -11.693 -4.540 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.621 -11.672 -4.523 1.00 0.00 C ATOM 1396 CD ARG A 93 -4.092 -13.107 -4.566 1.00 0.00 C ATOM 1397 NE ARG A 93 -4.197 -13.629 -5.957 1.00 0.00 N ATOM 1398 CZ ARG A 93 -4.293 -14.914 -6.169 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -3.238 -15.674 -6.062 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -5.445 -15.438 -6.490 1.00 0.00 N ATOM 0 H ARG A 93 -8.376 -10.681 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.879 -9.590 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.532 -11.926 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.506 -12.476 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.245 -11.108 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.263 -11.168 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.055 -13.134 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.663 -13.738 -3.885 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.194 -12.982 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.338 -15.265 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.314 -16.678 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.270 -14.844 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.520 -16.442 -6.656 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.448 -10.347 -6.658 1.00 0.00 N ATOM 1415 CA GLY A 94 -8.982 -10.452 -8.045 1.00 0.00 C ATOM 1416 C GLY A 94 -9.477 -9.083 -8.518 1.00 0.00 C ATOM 1417 O GLY A 94 -10.495 -8.976 -9.173 1.00 0.00 O ATOM 0 H GLY A 94 -9.150 -10.205 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.206 -10.819 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.798 -11.174 -8.076 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.768 -8.035 -8.198 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.206 -6.680 -8.638 1.00 0.00 C ATOM 1423 C ALA A 95 -7.979 -5.810 -8.916 1.00 0.00 C ATOM 1424 O ALA A 95 -7.973 -4.623 -8.656 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.057 -6.034 -7.543 1.00 0.00 C ATOM 0 H ALA A 95 -7.907 -8.058 -7.652 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.799 -6.770 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.376 -5.043 -7.867 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.934 -6.653 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.469 -5.945 -6.630 1.00 0.00 H new ATOM 1431 N GLY A 96 -6.941 -6.394 -9.447 1.00 0.00 N ATOM 1432 CA GLY A 96 -5.711 -5.607 -9.749 1.00 0.00 C ATOM 1433 C GLY A 96 -5.293 -4.801 -8.517 1.00 0.00 C ATOM 1434 O GLY A 96 -4.592 -3.815 -8.619 1.00 0.00 O ATOM 0 H GLY A 96 -6.891 -7.384 -9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.904 -6.277 -10.047 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.895 -4.936 -10.588 1.00 0.00 H new ATOM 1438 N MET A 97 -5.717 -5.209 -7.352 1.00 0.00 N ATOM 1439 CA MET A 97 -5.337 -4.459 -6.121 1.00 0.00 C ATOM 1440 C MET A 97 -3.832 -4.593 -5.888 1.00 0.00 C ATOM 1441 O MET A 97 -3.394 -5.215 -4.940 1.00 0.00 O ATOM 1442 CB MET A 97 -6.091 -5.030 -4.918 1.00 0.00 C ATOM 1443 CG MET A 97 -7.421 -4.293 -4.747 1.00 0.00 C ATOM 1444 SD MET A 97 -7.360 -3.280 -3.248 1.00 0.00 S ATOM 1445 CE MET A 97 -8.317 -1.879 -3.877 1.00 0.00 C ATOM 0 H MET A 97 -6.308 -6.026 -7.199 1.00 0.00 H new ATOM 0 HA MET A 97 -5.595 -3.407 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.270 -6.096 -5.061 1.00 0.00 H new ATOM 0 HB3 MET A 97 -5.488 -4.927 -4.016 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.615 -3.664 -5.616 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.240 -5.009 -4.682 1.00 0.00 H new ATOM 0 HE1 MET A 97 -7.707 -0.976 -3.841 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.614 -2.075 -4.907 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.207 -1.741 -3.263 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.033 -4.015 -6.742 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.558 -4.112 -6.562 1.00 0.00 C ATOM 1457 C VAL A 98 -0.916 -2.756 -6.859 1.00 0.00 C ATOM 1458 O VAL A 98 -0.590 -2.446 -7.987 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.992 -5.161 -7.520 1.00 0.00 C ATOM 1460 CG1 VAL A 98 0.531 -5.198 -7.391 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -1.565 -6.536 -7.168 1.00 0.00 C ATOM 0 H VAL A 98 -3.338 -3.480 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.339 -4.402 -5.534 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.266 -4.904 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.936 -5.945 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.941 -4.219 -7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.803 -5.456 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.162 -7.284 -7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.291 -6.793 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.651 -6.511 -7.257 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.733 -1.944 -5.855 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.114 -0.612 -6.079 1.00 0.00 C ATOM 1473 C GLY A 99 1.407 -0.731 -5.972 1.00 0.00 C ATOM 1474 O GLY A 99 1.948 -1.813 -5.858 1.00 0.00 O ATOM 0 H GLY A 99 -0.987 -2.148 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.391 -0.231 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.486 0.102 -5.344 1.00 0.00 H new ATOM 1478 N LYS A 100 2.103 0.372 -6.010 1.00 0.00 N ATOM 1479 CA LYS A 100 3.589 0.322 -5.911 1.00 0.00 C ATOM 1480 C LYS A 100 4.116 1.677 -5.435 1.00 0.00 C ATOM 1481 O LYS A 100 3.872 2.698 -6.046 1.00 0.00 O ATOM 1482 CB LYS A 100 4.181 -0.001 -7.285 1.00 0.00 C ATOM 1483 CG LYS A 100 3.673 -1.366 -7.750 1.00 0.00 C ATOM 1484 CD LYS A 100 4.372 -1.761 -9.052 1.00 0.00 C ATOM 1485 CE LYS A 100 3.340 -2.321 -10.032 1.00 0.00 C ATOM 1486 NZ LYS A 100 2.636 -1.194 -10.706 1.00 0.00 N ATOM 0 H LYS A 100 1.706 1.307 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 100 3.879 -0.450 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.899 0.768 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.270 -0.005 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.863 -2.116 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.594 -1.331 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.871 -0.895 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.142 -2.506 -8.853 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.831 -2.953 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.623 -2.948 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.934 -1.573 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.156 -0.609 -9.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.326 -0.613 -11.223 1.00 0.00 H new ATOM 1500 N ILE A 101 4.839 1.694 -4.348 1.00 0.00 N ATOM 1501 CA ILE A 101 5.382 2.984 -3.833 1.00 0.00 C ATOM 1502 C ILE A 101 6.707 3.291 -4.545 1.00 0.00 C ATOM 1503 O ILE A 101 7.557 2.435 -4.688 1.00 0.00 O ATOM 1504 CB ILE A 101 5.588 2.875 -2.300 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.660 3.875 -1.595 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.046 3.170 -1.910 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.111 4.081 -0.141 1.00 0.00 C ATOM 0 H ILE A 101 5.077 0.871 -3.795 1.00 0.00 H new ATOM 0 HA ILE A 101 4.683 3.797 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 101 5.353 1.856 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.669 4.827 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.634 3.508 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.158 3.085 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.706 2.454 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.309 4.180 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.446 4.792 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.078 3.129 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.130 4.469 -0.127 1.00 0.00 H new ATOM 1519 N THR A 102 6.896 4.508 -4.974 1.00 0.00 N ATOM 1520 CA THR A 102 8.173 4.867 -5.651 1.00 0.00 C ATOM 1521 C THR A 102 8.907 5.901 -4.794 1.00 0.00 C ATOM 1522 O THR A 102 8.463 7.020 -4.639 1.00 0.00 O ATOM 1523 CB THR A 102 7.887 5.452 -7.037 1.00 0.00 C ATOM 1524 OG1 THR A 102 7.259 4.466 -7.844 1.00 0.00 O ATOM 1525 CG2 THR A 102 9.202 5.887 -7.689 1.00 0.00 C ATOM 0 H THR A 102 6.222 5.269 -4.885 1.00 0.00 H new ATOM 0 HA THR A 102 8.789 3.976 -5.770 1.00 0.00 H new ATOM 0 HB THR A 102 7.229 6.315 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 102 7.073 4.839 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.999 6.303 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.683 6.643 -7.068 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.862 5.025 -7.788 1.00 0.00 H new ATOM 1533 N VAL A 103 10.020 5.531 -4.224 1.00 0.00 N ATOM 1534 CA VAL A 103 10.769 6.492 -3.367 1.00 0.00 C ATOM 1535 C VAL A 103 11.921 7.105 -4.167 1.00 0.00 C ATOM 1536 O VAL A 103 12.680 6.411 -4.814 1.00 0.00 O ATOM 1537 CB VAL A 103 11.325 5.755 -2.146 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.809 6.770 -1.109 1.00 0.00 C ATOM 1539 CG2 VAL A 103 10.226 4.887 -1.531 1.00 0.00 C ATOM 0 H VAL A 103 10.443 4.607 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 103 10.099 7.286 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 103 12.160 5.125 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.204 6.243 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.592 7.390 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.976 7.402 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.621 4.362 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.392 5.519 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.881 4.161 -2.267 1.00 0.00 H new ATOM 1549 N ALA A 104 12.055 8.403 -4.128 1.00 0.00 N ATOM 1550 CA ALA A 104 13.155 9.064 -4.886 1.00 0.00 C ATOM 1551 C ALA A 104 13.091 10.577 -4.668 1.00 0.00 C ATOM 1552 O ALA A 104 13.894 11.146 -3.955 1.00 0.00 O ATOM 1553 CB ALA A 104 13.002 8.759 -6.376 1.00 0.00 C ATOM 0 H ALA A 104 11.450 9.034 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 104 14.115 8.687 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.806 9.242 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.049 7.681 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.041 9.136 -6.728 1.00 0.00 H new ATOM 1559 N GLY A 105 12.143 11.234 -5.278 1.00 0.00 N ATOM 1560 CA GLY A 105 12.030 12.710 -5.107 1.00 0.00 C ATOM 1561 C GLY A 105 12.190 13.398 -6.464 1.00 0.00 C ATOM 1562 O GLY A 105 13.240 13.241 -7.065 1.00 0.00 O ATOM 1563 OXT GLY A 105 11.261 14.070 -6.878 1.00 0.00 O ATOM 0 H GLY A 105 11.442 10.813 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.063 12.963 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 105 12.794 13.066 -4.415 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.042 -4.386 -0.664 1.00 0.00 CU