USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 435 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 57 LYS NZ :NH3+ -140:sc= 1.2 (180deg=-0.101) USER MOD Set 1.2: A 60 THR OG1 : rot -120:sc= 1.09 USER MOD Set 2.1: A 5 TYR OH : rot 17:sc= 2.12 USER MOD Set 2.2: A 41 SER OG : rot 118:sc= 1.67 USER MOD Single : A 1 LYS N :NH3+ -150:sc= -0.0979! (180deg=-0.952!) USER MOD Single : A 1 LYS NZ :NH3+ 155:sc= 0.989 (180deg=-0.316) USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.203 (180deg=-1.12) USER MOD Single : A 3 ASN : amide:sc= 1.46 K(o=1.5,f=-7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 0.604 (180deg=0.348) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.448 K(o=0.45,f=-5.1!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.04 K(o=1,f=-0.028) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 61:sc= 0.89 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -21:sc= 1.38 USER MOD Single : A 43 TYR OH : rot 178:sc= 1.16 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= 1.01 (180deg=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 1.05 (180deg=0.855) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.17 K(o=1.2,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.055 0.455 -9.868 1.00 0.00 N ATOM 2 CA LYS A 1 5.487 0.188 -9.785 1.00 0.00 C ATOM 3 C LYS A 1 6.220 1.195 -8.904 1.00 0.00 C ATOM 4 O LYS A 1 7.376 1.007 -8.532 1.00 0.00 O ATOM 5 CB LYS A 1 6.075 0.132 -11.199 1.00 0.00 C ATOM 6 CG LYS A 1 7.467 -0.527 -11.229 1.00 0.00 C ATOM 7 CD LYS A 1 7.813 -1.133 -12.604 1.00 0.00 C ATOM 8 CE LYS A 1 7.098 -2.464 -12.904 1.00 0.00 C ATOM 9 NZ LYS A 1 7.589 -3.576 -12.058 1.00 0.00 N ATOM 0 H1 LYS A 1 3.543 -0.439 -10.008 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.734 0.904 -8.986 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.866 1.091 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 1 5.628 -0.779 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.399 -0.423 -11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 1 6.146 1.143 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 1 8.221 0.215 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.510 -1.309 -10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.557 -0.413 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.890 -1.291 -12.658 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.026 -2.340 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.240 -2.720 -13.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.848 -4.301 -11.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.435 -3.995 -12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.829 -3.214 -11.113 1.00 0.00 H new ATOM 19 N LYS A 2 5.526 2.283 -8.581 1.00 0.00 N ATOM 20 CA LYS A 2 5.967 3.285 -7.629 1.00 0.00 C ATOM 21 C LYS A 2 5.491 2.832 -6.246 1.00 0.00 C ATOM 22 O LYS A 2 5.216 1.653 -6.034 1.00 0.00 O ATOM 23 CB LYS A 2 5.391 4.645 -8.067 1.00 0.00 C ATOM 24 CG LYS A 2 3.914 4.505 -8.463 1.00 0.00 C ATOM 25 CD LYS A 2 3.032 5.728 -8.212 1.00 0.00 C ATOM 26 CE LYS A 2 3.390 6.964 -9.053 1.00 0.00 C ATOM 27 NZ LYS A 2 4.639 7.613 -8.607 1.00 0.00 N ATOM 0 H LYS A 2 4.615 2.493 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 2 7.050 3.399 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.489 5.366 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.963 5.034 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.865 4.258 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.492 3.660 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.995 5.458 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.095 5.993 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.491 6.671 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.573 7.683 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.626 8.616 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.719 7.538 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.453 7.143 -9.052 1.00 0.00 H new ATOM 37 N ASN A 3 5.327 3.766 -5.310 1.00 0.00 N ATOM 38 CA ASN A 3 4.465 3.546 -4.161 1.00 0.00 C ATOM 39 C ASN A 3 3.032 3.465 -4.662 1.00 0.00 C ATOM 40 O ASN A 3 2.665 4.166 -5.602 1.00 0.00 O ATOM 41 CB ASN A 3 4.580 4.696 -3.162 1.00 0.00 C ATOM 42 CG ASN A 3 5.994 5.125 -2.813 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.966 4.404 -3.007 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.108 6.337 -2.308 1.00 0.00 N ATOM 0 H ASN A 3 5.781 4.679 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 3 4.761 2.626 -3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.047 5.558 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.070 4.407 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.028 6.704 -2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.276 6.908 -2.161 1.00 0.00 H new ATOM 50 N GLY A 4 2.218 2.604 -4.070 1.00 0.00 N ATOM 51 CA GLY A 4 0.892 2.345 -4.576 1.00 0.00 C ATOM 52 C GLY A 4 0.206 1.397 -3.618 1.00 0.00 C ATOM 53 O GLY A 4 0.771 1.046 -2.581 1.00 0.00 O ATOM 0 H GLY A 4 2.461 2.073 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.328 3.274 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.943 1.909 -5.574 1.00 0.00 H new ATOM 57 N TYR A 5 -1.008 0.974 -3.967 1.00 0.00 N ATOM 58 CA TYR A 5 -1.709 -0.023 -3.188 1.00 0.00 C ATOM 59 C TYR A 5 -1.388 -1.414 -3.695 1.00 0.00 C ATOM 60 O TYR A 5 -1.456 -1.648 -4.894 1.00 0.00 O ATOM 61 CB TYR A 5 -3.227 0.198 -3.253 1.00 0.00 C ATOM 62 CG TYR A 5 -3.919 1.272 -2.438 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.275 1.983 -1.415 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.271 1.543 -2.719 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.974 2.965 -0.687 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.963 2.527 -2.006 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.339 3.185 -0.938 1.00 0.00 C ATOM 68 OH TYR A 5 -6.126 3.790 -0.007 1.00 0.00 O ATOM 0 H TYR A 5 -1.518 1.310 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.379 0.073 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.472 0.390 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.694 -0.750 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.240 1.777 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.779 0.986 -3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.462 3.548 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.977 2.779 -2.278 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.562 4.252 0.648 1.00 0.00 H new ATOM 77 N ALA A 6 -1.080 -2.338 -2.786 1.00 0.00 N ATOM 78 CA ALA A 6 -0.866 -3.725 -3.156 1.00 0.00 C ATOM 79 C ALA A 6 -2.186 -4.483 -3.148 1.00 0.00 C ATOM 80 O ALA A 6 -3.014 -4.278 -2.261 1.00 0.00 O ATOM 81 CB ALA A 6 0.088 -4.385 -2.172 1.00 0.00 C ATOM 0 H ALA A 6 -0.974 -2.145 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.438 -3.751 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.243 -5.426 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.043 -3.860 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.337 -4.343 -1.169 1.00 0.00 H new ATOM 87 N VAL A 7 -2.343 -5.391 -4.111 1.00 0.00 N ATOM 88 CA VAL A 7 -3.418 -6.368 -4.127 1.00 0.00 C ATOM 89 C VAL A 7 -2.870 -7.739 -4.494 1.00 0.00 C ATOM 90 O VAL A 7 -1.872 -7.824 -5.208 1.00 0.00 O ATOM 91 CB VAL A 7 -4.513 -5.934 -5.104 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.265 -4.745 -4.498 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.023 -5.592 -6.510 1.00 0.00 C ATOM 0 H VAL A 7 -1.715 -5.465 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.859 -6.431 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.168 -6.794 -5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.050 -4.423 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.711 -5.042 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.570 -3.922 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.870 -5.296 -7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.308 -4.771 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.540 -6.465 -6.949 1.00 0.00 H new ATOM 103 N ASP A 8 -3.545 -8.794 -4.020 1.00 0.00 N ATOM 104 CA ASP A 8 -3.294 -10.173 -4.333 1.00 0.00 C ATOM 105 C ASP A 8 -3.086 -10.364 -5.833 1.00 0.00 C ATOM 106 O ASP A 8 -2.029 -10.782 -6.298 1.00 0.00 O ATOM 107 CB ASP A 8 -4.498 -10.970 -3.788 1.00 0.00 C ATOM 108 CG ASP A 8 -5.914 -10.426 -3.988 1.00 0.00 C ATOM 109 OD1 ASP A 8 -6.365 -10.352 -5.149 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.568 -10.120 -2.965 1.00 0.00 O ATOM 0 H ASP A 8 -4.324 -8.682 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.374 -10.531 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.463 -11.963 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.346 -11.099 -2.716 1.00 0.00 H new ATOM 114 N SER A 9 -4.152 -10.068 -6.558 1.00 0.00 N ATOM 115 CA SER A 9 -4.311 -10.154 -7.993 1.00 0.00 C ATOM 116 C SER A 9 -5.528 -9.313 -8.392 1.00 0.00 C ATOM 117 O SER A 9 -5.459 -8.508 -9.317 1.00 0.00 O ATOM 118 CB SER A 9 -4.482 -11.629 -8.370 1.00 0.00 C ATOM 119 OG SER A 9 -4.442 -11.804 -9.773 1.00 0.00 O ATOM 0 H SER A 9 -5.005 -9.731 -6.111 1.00 0.00 H new ATOM 0 HA SER A 9 -3.441 -9.767 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.694 -12.220 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.431 -11.999 -7.981 1.00 0.00 H new ATOM 0 HG SER A 9 -4.552 -12.754 -9.987 1.00 0.00 H new ATOM 124 N SER A 10 -6.638 -9.488 -7.664 1.00 0.00 N ATOM 125 CA SER A 10 -7.889 -8.764 -7.858 1.00 0.00 C ATOM 126 C SER A 10 -8.044 -7.691 -6.772 1.00 0.00 C ATOM 127 O SER A 10 -8.409 -6.556 -7.070 1.00 0.00 O ATOM 128 CB SER A 10 -9.046 -9.771 -7.853 1.00 0.00 C ATOM 129 OG SER A 10 -10.255 -9.145 -8.231 1.00 0.00 O ATOM 0 H SER A 10 -6.686 -10.161 -6.899 1.00 0.00 H new ATOM 0 HA SER A 10 -7.892 -8.248 -8.818 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.825 -10.590 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.151 -10.206 -6.859 1.00 0.00 H new ATOM 0 HG SER A 10 -10.981 -9.804 -8.223 1.00 0.00 H new ATOM 134 N GLY A 11 -7.717 -8.034 -5.519 1.00 0.00 N ATOM 135 CA GLY A 11 -7.555 -7.087 -4.438 1.00 0.00 C ATOM 136 C GLY A 11 -8.597 -7.168 -3.338 1.00 0.00 C ATOM 137 O GLY A 11 -9.380 -6.243 -3.130 1.00 0.00 O ATOM 0 H GLY A 11 -7.557 -9.001 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.571 -7.234 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.569 -6.080 -4.855 1.00 0.00 H new ATOM 141 N LYS A 12 -8.484 -8.211 -2.517 1.00 0.00 N ATOM 142 CA LYS A 12 -8.970 -8.154 -1.149 1.00 0.00 C ATOM 143 C LYS A 12 -7.999 -7.255 -0.371 1.00 0.00 C ATOM 144 O LYS A 12 -7.107 -7.757 0.314 1.00 0.00 O ATOM 145 CB LYS A 12 -9.018 -9.572 -0.566 1.00 0.00 C ATOM 146 CG LYS A 12 -9.955 -10.483 -1.375 1.00 0.00 C ATOM 147 CD LYS A 12 -9.843 -11.953 -0.942 1.00 0.00 C ATOM 148 CE LYS A 12 -8.779 -12.740 -1.728 1.00 0.00 C ATOM 149 NZ LYS A 12 -7.420 -12.173 -1.608 1.00 0.00 N ATOM 0 H LYS A 12 -8.061 -9.101 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.979 -7.746 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.014 -9.997 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.355 -9.529 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.984 -10.146 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.717 -10.398 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.604 -11.994 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.811 -12.437 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.767 -13.771 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.062 -12.767 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.724 -12.864 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.355 -11.304 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.223 -11.951 -0.611 1.00 0.00 H new ATOM 159 N VAL A 13 -8.125 -5.933 -0.543 1.00 0.00 N ATOM 160 CA VAL A 13 -7.187 -4.970 0.024 1.00 0.00 C ATOM 161 C VAL A 13 -6.953 -5.246 1.513 1.00 0.00 C ATOM 162 O VAL A 13 -7.895 -5.368 2.296 1.00 0.00 O ATOM 163 CB VAL A 13 -7.621 -3.512 -0.232 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.728 -3.211 -1.730 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.935 -3.142 0.466 1.00 0.00 C ATOM 0 H VAL A 13 -8.881 -5.507 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.235 -5.100 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.835 -2.894 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.036 -2.175 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.759 -3.370 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.465 -3.874 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.184 -2.104 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.733 -3.791 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.823 -3.268 1.543 1.00 0.00 H new ATOM 175 N SER A 14 -5.687 -5.373 1.907 1.00 0.00 N ATOM 176 CA SER A 14 -5.295 -5.843 3.227 1.00 0.00 C ATOM 177 C SER A 14 -5.364 -4.713 4.262 1.00 0.00 C ATOM 178 O SER A 14 -4.372 -4.447 4.932 1.00 0.00 O ATOM 179 CB SER A 14 -3.889 -6.444 3.106 1.00 0.00 C ATOM 180 OG SER A 14 -3.813 -7.231 1.930 1.00 0.00 O ATOM 0 H SER A 14 -4.895 -5.148 1.305 1.00 0.00 H new ATOM 0 HA SER A 14 -5.985 -6.608 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.143 -5.649 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.666 -7.055 3.981 1.00 0.00 H new ATOM 0 HG SER A 14 -2.915 -7.614 1.850 1.00 0.00 H new ATOM 185 N GLU A 15 -6.530 -4.061 4.349 1.00 0.00 N ATOM 186 CA GLU A 15 -6.808 -2.807 5.034 1.00 0.00 C ATOM 187 C GLU A 15 -6.031 -2.631 6.343 1.00 0.00 C ATOM 188 O GLU A 15 -4.975 -2.010 6.340 1.00 0.00 O ATOM 189 CB GLU A 15 -8.332 -2.710 5.204 1.00 0.00 C ATOM 190 CG GLU A 15 -8.761 -1.364 5.781 1.00 0.00 C ATOM 191 CD GLU A 15 -10.276 -1.278 5.856 1.00 0.00 C ATOM 192 OE1 GLU A 15 -10.837 -2.043 6.670 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.840 -0.478 5.080 1.00 0.00 O ATOM 0 H GLU A 15 -7.368 -4.434 3.903 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.449 -1.973 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.814 -2.860 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.675 -3.511 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.333 -1.235 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.375 -0.555 5.160 1.00 0.00 H new ATOM 198 N CYS A 16 -6.561 -3.178 7.443 1.00 0.00 N ATOM 199 CA CYS A 16 -5.990 -3.129 8.791 1.00 0.00 C ATOM 200 C CYS A 16 -6.104 -1.755 9.465 1.00 0.00 C ATOM 201 O CYS A 16 -6.345 -0.746 8.812 1.00 0.00 O ATOM 202 CB CYS A 16 -4.550 -3.676 8.824 1.00 0.00 C ATOM 203 SG CYS A 16 -3.278 -2.615 9.571 1.00 0.00 S ATOM 0 H CYS A 16 -7.442 -3.691 7.414 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.608 -3.794 9.394 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.560 -4.623 9.364 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.248 -3.896 7.800 1.00 0.00 H new ATOM 207 N LEU A 17 -5.942 -1.726 10.797 1.00 0.00 N ATOM 208 CA LEU A 17 -5.750 -0.524 11.586 1.00 0.00 C ATOM 209 C LEU A 17 -4.293 -0.379 12.064 1.00 0.00 C ATOM 210 O LEU A 17 -3.742 0.720 12.025 1.00 0.00 O ATOM 211 CB LEU A 17 -6.778 -0.521 12.723 1.00 0.00 C ATOM 212 CG LEU A 17 -6.715 -1.683 13.732 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.916 -1.303 14.986 1.00 0.00 C ATOM 214 CD2 LEU A 17 -8.134 -2.070 14.166 1.00 0.00 C ATOM 0 H LEU A 17 -5.943 -2.574 11.363 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.923 0.360 10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.668 0.412 13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.773 -0.513 12.279 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.219 -2.518 13.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.894 -2.148 15.674 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.897 -1.040 14.702 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.388 -0.451 15.474 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.085 -2.892 14.880 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.618 -1.212 14.633 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.709 -2.381 13.294 1.00 0.00 H new ATOM 225 N LEU A 18 -3.639 -1.461 12.513 1.00 0.00 N ATOM 226 CA LEU A 18 -2.288 -1.412 13.061 1.00 0.00 C ATOM 227 C LEU A 18 -1.229 -1.285 11.956 1.00 0.00 C ATOM 228 O LEU A 18 -0.497 -2.232 11.665 1.00 0.00 O ATOM 229 CB LEU A 18 -2.051 -2.616 13.979 1.00 0.00 C ATOM 230 CG LEU A 18 -2.421 -3.962 13.330 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.275 -4.944 13.531 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.692 -4.557 13.946 1.00 0.00 C ATOM 0 H LEU A 18 -4.042 -2.398 12.503 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.188 -0.512 13.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.001 -2.639 14.272 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.634 -2.488 14.891 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.603 -3.786 12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.530 -5.900 13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.372 -4.549 13.066 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.101 -5.087 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.921 -5.506 13.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.537 -4.721 15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.523 -3.867 13.802 1.00 0.00 H new ATOM 243 N ASN A 19 -1.166 -0.088 11.368 1.00 0.00 N ATOM 244 CA ASN A 19 -0.242 0.387 10.337 1.00 0.00 C ATOM 245 C ASN A 19 0.914 -0.551 9.956 1.00 0.00 C ATOM 246 O ASN A 19 0.984 -0.996 8.811 1.00 0.00 O ATOM 247 CB ASN A 19 0.234 1.817 10.648 1.00 0.00 C ATOM 248 CG ASN A 19 1.017 1.988 11.946 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.184 1.060 12.733 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.509 3.198 12.185 1.00 0.00 N ATOM 0 H ASN A 19 -1.826 0.644 11.628 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.838 0.395 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.857 2.160 9.822 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.638 2.470 10.683 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.040 3.373 13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.356 3.952 11.515 1.00 0.00 H new ATOM 256 N ASN A 20 1.835 -0.830 10.885 1.00 0.00 N ATOM 257 CA ASN A 20 3.038 -1.618 10.644 1.00 0.00 C ATOM 258 C ASN A 20 2.748 -2.937 9.924 1.00 0.00 C ATOM 259 O ASN A 20 3.548 -3.366 9.095 1.00 0.00 O ATOM 260 CB ASN A 20 3.766 -1.894 11.963 1.00 0.00 C ATOM 261 CG ASN A 20 5.040 -2.698 11.711 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.066 -3.909 11.894 1.00 0.00 O ATOM 263 ND2 ASN A 20 6.108 -2.033 11.277 1.00 0.00 N ATOM 0 H ASN A 20 1.758 -0.503 11.848 1.00 0.00 H new ATOM 0 HA ASN A 20 3.675 -1.025 9.987 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.014 -0.952 12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.110 -2.442 12.640 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.977 -2.532 11.088 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.057 -1.024 11.134 1.00 0.00 H new ATOM 269 N TYR A 21 1.604 -3.564 10.218 1.00 0.00 N ATOM 270 CA TYR A 21 1.159 -4.763 9.520 1.00 0.00 C ATOM 271 C TYR A 21 1.310 -4.615 8.006 1.00 0.00 C ATOM 272 O TYR A 21 1.853 -5.499 7.344 1.00 0.00 O ATOM 273 CB TYR A 21 -0.299 -5.050 9.889 1.00 0.00 C ATOM 274 CG TYR A 21 -0.961 -6.129 9.056 1.00 0.00 C ATOM 275 CD1 TYR A 21 -0.756 -7.486 9.367 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.755 -5.778 7.947 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.371 -8.485 8.593 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.382 -6.777 7.184 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.191 -8.131 7.509 1.00 0.00 C ATOM 280 OH TYR A 21 -2.781 -9.109 6.765 1.00 0.00 O ATOM 0 H TYR A 21 0.964 -3.250 10.948 1.00 0.00 H new ATOM 0 HA TYR A 21 1.785 -5.600 9.829 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.344 -5.341 10.938 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.873 -4.129 9.789 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.126 -7.760 10.200 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.882 -4.739 7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.213 -9.526 8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.010 -6.505 6.349 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.317 -8.700 6.053 1.00 0.00 H new ATOM 289 N CYS A 22 0.830 -3.501 7.450 1.00 0.00 N ATOM 290 CA CYS A 22 0.829 -3.322 6.015 1.00 0.00 C ATOM 291 C CYS A 22 2.257 -3.254 5.509 1.00 0.00 C ATOM 292 O CYS A 22 2.587 -4.006 4.612 1.00 0.00 O ATOM 293 CB CYS A 22 0.002 -2.107 5.616 1.00 0.00 C ATOM 294 SG CYS A 22 -1.632 -2.542 4.984 1.00 0.00 S ATOM 0 H CYS A 22 0.441 -2.719 7.977 1.00 0.00 H new ATOM 0 HA CYS A 22 0.352 -4.180 5.541 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.111 -1.452 6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.541 -1.542 4.856 1.00 0.00 H new ATOM 298 N ASN A 23 3.120 -2.420 6.096 1.00 0.00 N ATOM 299 CA ASN A 23 4.553 -2.412 5.845 1.00 0.00 C ATOM 300 C ASN A 23 5.148 -3.822 5.834 1.00 0.00 C ATOM 301 O ASN A 23 5.850 -4.201 4.898 1.00 0.00 O ATOM 302 CB ASN A 23 5.176 -1.616 6.999 1.00 0.00 C ATOM 303 CG ASN A 23 6.462 -0.942 6.596 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.511 -1.566 6.505 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.376 0.362 6.384 1.00 0.00 N ATOM 0 H ASN A 23 2.828 -1.717 6.775 1.00 0.00 H new ATOM 0 HA ASN A 23 4.756 -1.977 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.466 -0.864 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.366 -2.285 7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.209 0.894 6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.477 0.835 6.473 1.00 0.00 H new ATOM 311 N ASN A 24 4.867 -4.607 6.878 1.00 0.00 N ATOM 312 CA ASN A 24 5.376 -5.946 7.029 1.00 0.00 C ATOM 313 C ASN A 24 5.025 -6.815 5.820 1.00 0.00 C ATOM 314 O ASN A 24 5.905 -7.341 5.144 1.00 0.00 O ATOM 315 CB ASN A 24 4.796 -6.516 8.324 1.00 0.00 C ATOM 316 CG ASN A 24 5.735 -7.566 8.863 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.567 -8.761 8.641 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.760 -7.091 9.555 1.00 0.00 N ATOM 0 H ASN A 24 4.267 -4.311 7.648 1.00 0.00 H new ATOM 0 HA ASN A 24 6.465 -5.933 7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.660 -5.721 9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.814 -6.950 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.459 -7.730 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.850 -6.087 9.709 1.00 0.00 H new ATOM 324 N ILE A 25 3.731 -6.937 5.524 1.00 0.00 N ATOM 325 CA ILE A 25 3.234 -7.720 4.404 1.00 0.00 C ATOM 326 C ILE A 25 3.780 -7.160 3.089 1.00 0.00 C ATOM 327 O ILE A 25 4.097 -7.902 2.164 1.00 0.00 O ATOM 328 CB ILE A 25 1.699 -7.665 4.439 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.135 -8.233 5.751 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.072 -8.354 3.226 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.135 -9.762 5.843 1.00 0.00 C ATOM 0 H ILE A 25 2.993 -6.487 6.065 1.00 0.00 H new ATOM 0 HA ILE A 25 3.565 -8.756 4.477 1.00 0.00 H new ATOM 0 HB ILE A 25 1.425 -6.611 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.715 -7.833 6.582 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.113 -7.876 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.014 -8.291 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.409 -7.862 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.374 -9.401 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.720 -10.069 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.529 -10.175 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.157 -10.132 5.755 1.00 0.00 H new ATOM 342 N CYS A 26 3.879 -5.838 3.012 1.00 0.00 N ATOM 343 CA CYS A 26 4.346 -5.091 1.855 1.00 0.00 C ATOM 344 C CYS A 26 5.744 -5.563 1.491 1.00 0.00 C ATOM 345 O CYS A 26 5.985 -5.965 0.355 1.00 0.00 O ATOM 346 CB CYS A 26 4.198 -3.571 2.080 1.00 0.00 C ATOM 347 SG CYS A 26 2.532 -3.011 1.726 1.00 0.00 S ATOM 0 H CYS A 26 3.624 -5.232 3.792 1.00 0.00 H new ATOM 0 HA CYS A 26 3.722 -5.290 0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.452 -3.329 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.905 -3.038 1.444 1.00 0.00 H new ATOM 351 N THR A 27 6.662 -5.604 2.452 1.00 0.00 N ATOM 352 CA THR A 27 7.987 -6.118 2.155 1.00 0.00 C ATOM 353 C THR A 27 7.952 -7.634 1.908 1.00 0.00 C ATOM 354 O THR A 27 8.560 -8.120 0.958 1.00 0.00 O ATOM 355 CB THR A 27 9.009 -5.602 3.182 1.00 0.00 C ATOM 356 OG1 THR A 27 10.214 -5.281 2.523 1.00 0.00 O ATOM 357 CG2 THR A 27 9.292 -6.560 4.339 1.00 0.00 C ATOM 0 H THR A 27 6.517 -5.297 3.414 1.00 0.00 H new ATOM 0 HA THR A 27 8.348 -5.722 1.206 1.00 0.00 H new ATOM 0 HB THR A 27 8.559 -4.719 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.047 -4.579 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.023 -6.112 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.369 -6.754 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.686 -7.498 3.947 1.00 0.00 H new ATOM 365 N LYS A 28 7.211 -8.392 2.723 1.00 0.00 N ATOM 366 CA LYS A 28 7.247 -9.842 2.706 1.00 0.00 C ATOM 367 C LYS A 28 6.775 -10.410 1.359 1.00 0.00 C ATOM 368 O LYS A 28 7.443 -11.267 0.783 1.00 0.00 O ATOM 369 CB LYS A 28 6.432 -10.351 3.911 1.00 0.00 C ATOM 370 CG LYS A 28 6.785 -11.774 4.358 1.00 0.00 C ATOM 371 CD LYS A 28 6.038 -12.817 3.524 1.00 0.00 C ATOM 372 CE LYS A 28 6.417 -14.238 3.962 1.00 0.00 C ATOM 373 NZ LYS A 28 5.767 -15.267 3.123 1.00 0.00 N ATOM 0 H LYS A 28 6.568 -8.006 3.414 1.00 0.00 H new ATOM 0 HA LYS A 28 8.272 -10.199 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.584 -9.672 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.372 -10.315 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.860 -11.931 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.535 -11.900 5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.963 -12.673 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.274 -12.682 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.499 -14.357 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.131 -14.385 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.049 -16.212 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.734 -15.170 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.060 -15.143 2.133 1.00 0.00 H new ATOM 383 N VAL A 29 5.594 -10.002 0.892 1.00 0.00 N ATOM 384 CA VAL A 29 4.889 -10.558 -0.235 1.00 0.00 C ATOM 385 C VAL A 29 5.108 -9.694 -1.477 1.00 0.00 C ATOM 386 O VAL A 29 5.274 -10.214 -2.585 1.00 0.00 O ATOM 387 CB VAL A 29 3.409 -10.609 0.182 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.510 -10.855 -1.014 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.167 -11.679 1.252 1.00 0.00 C ATOM 0 H VAL A 29 5.086 -9.230 1.324 1.00 0.00 H new ATOM 0 HA VAL A 29 5.247 -11.554 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 29 3.161 -9.636 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.470 -10.886 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.639 -10.050 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.773 -11.806 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.112 -11.689 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.450 -12.656 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.767 -11.454 2.134 1.00 0.00 H new ATOM 399 N TYR A 30 5.006 -8.372 -1.322 1.00 0.00 N ATOM 400 CA TYR A 30 4.998 -7.430 -2.414 1.00 0.00 C ATOM 401 C TYR A 30 6.391 -6.871 -2.705 1.00 0.00 C ATOM 402 O TYR A 30 6.565 -6.209 -3.725 1.00 0.00 O ATOM 403 CB TYR A 30 3.959 -6.360 -2.087 1.00 0.00 C ATOM 404 CG TYR A 30 2.555 -6.914 -1.958 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.848 -7.271 -3.114 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.993 -7.180 -0.696 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.633 -7.966 -3.016 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.711 -7.748 -0.601 1.00 0.00 C ATOM 409 CZ TYR A 30 0.037 -8.163 -1.761 1.00 0.00 C ATOM 410 OH TYR A 30 -1.208 -8.708 -1.678 1.00 0.00 O ATOM 0 H TYR A 30 4.925 -7.929 -0.407 1.00 0.00 H new ATOM 0 HA TYR A 30 4.717 -7.922 -3.345 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.235 -5.867 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.972 -5.599 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.240 -7.010 -4.086 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.548 -6.947 0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.157 -8.349 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.244 -7.865 0.365 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.473 -8.777 -0.737 1.00 0.00 H new ATOM 419 N TYR A 31 7.375 -7.160 -1.844 1.00 0.00 N ATOM 420 CA TYR A 31 8.757 -6.736 -2.020 1.00 0.00 C ATOM 421 C TYR A 31 8.850 -5.209 -2.089 1.00 0.00 C ATOM 422 O TYR A 31 9.691 -4.643 -2.783 1.00 0.00 O ATOM 423 CB TYR A 31 9.414 -7.481 -3.171 1.00 0.00 C ATOM 424 CG TYR A 31 8.985 -8.932 -3.324 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.069 -9.819 -2.234 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.391 -9.364 -4.525 1.00 0.00 C ATOM 427 CE1 TYR A 31 8.565 -11.126 -2.348 1.00 0.00 C ATOM 428 CE2 TYR A 31 7.899 -10.674 -4.642 1.00 0.00 C ATOM 429 CZ TYR A 31 7.987 -11.556 -3.553 1.00 0.00 C ATOM 430 OH TYR A 31 7.521 -12.832 -3.667 1.00 0.00 O ATOM 0 H TYR A 31 7.224 -7.704 -0.994 1.00 0.00 H new ATOM 0 HA TYR A 31 9.343 -7.014 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.194 -6.953 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.495 -7.450 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.522 -9.495 -1.309 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.313 -8.684 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.622 -11.801 -1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.453 -11.003 -5.569 1.00 0.00 H new ATOM 0 HH TYR A 31 7.151 -12.966 -4.565 1.00 0.00 H new ATOM 439 N ALA A 32 7.964 -4.556 -1.335 1.00 0.00 N ATOM 440 CA ALA A 32 7.860 -3.116 -1.216 1.00 0.00 C ATOM 441 C ALA A 32 8.727 -2.657 -0.039 1.00 0.00 C ATOM 442 O ALA A 32 8.928 -3.401 0.920 1.00 0.00 O ATOM 443 CB ALA A 32 6.377 -2.772 -1.050 1.00 0.00 C ATOM 0 H ALA A 32 7.272 -5.046 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 32 8.228 -2.594 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.262 -1.692 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.823 -3.122 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.989 -3.256 -0.154 1.00 0.00 H new ATOM 449 N THR A 33 9.290 -1.449 -0.114 1.00 0.00 N ATOM 450 CA THR A 33 10.272 -1.002 0.871 1.00 0.00 C ATOM 451 C THR A 33 9.596 -0.632 2.200 1.00 0.00 C ATOM 452 O THR A 33 10.124 -0.916 3.273 1.00 0.00 O ATOM 453 CB THR A 33 11.165 0.105 0.277 1.00 0.00 C ATOM 454 OG1 THR A 33 12.269 0.352 1.122 1.00 0.00 O ATOM 455 CG2 THR A 33 10.439 1.428 0.020 1.00 0.00 C ATOM 0 H THR A 33 9.083 -0.767 -0.844 1.00 0.00 H new ATOM 0 HA THR A 33 10.943 -1.825 1.116 1.00 0.00 H new ATOM 0 HB THR A 33 11.488 -0.276 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.828 1.056 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.139 2.152 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.623 1.264 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.038 1.811 0.958 1.00 0.00 H new ATOM 463 N SER A 34 8.400 -0.040 2.113 1.00 0.00 N ATOM 464 CA SER A 34 7.586 0.400 3.242 1.00 0.00 C ATOM 465 C SER A 34 6.113 0.193 2.868 1.00 0.00 C ATOM 466 O SER A 34 5.828 -0.499 1.893 1.00 0.00 O ATOM 467 CB SER A 34 7.913 1.866 3.581 1.00 0.00 C ATOM 468 OG SER A 34 9.285 2.011 3.889 1.00 0.00 O ATOM 0 H SER A 34 7.958 0.152 1.214 1.00 0.00 H new ATOM 0 HA SER A 34 7.800 -0.181 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.654 2.506 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.308 2.193 4.427 1.00 0.00 H new ATOM 0 HG SER A 34 9.475 2.949 4.100 1.00 0.00 H new ATOM 473 N GLY A 35 5.178 0.807 3.601 1.00 0.00 N ATOM 474 CA GLY A 35 3.739 0.628 3.453 1.00 0.00 C ATOM 475 C GLY A 35 3.101 0.923 4.799 1.00 0.00 C ATOM 476 O GLY A 35 3.818 1.152 5.776 1.00 0.00 O ATOM 0 H GLY A 35 5.418 1.467 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.346 1.297 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.510 -0.389 3.135 1.00 0.00 H new ATOM 480 N TYR A 36 1.772 0.936 4.841 1.00 0.00 N ATOM 481 CA TYR A 36 0.984 1.175 6.040 1.00 0.00 C ATOM 482 C TYR A 36 -0.493 1.055 5.676 1.00 0.00 C ATOM 483 O TYR A 36 -0.846 0.958 4.498 1.00 0.00 O ATOM 484 CB TYR A 36 1.329 2.514 6.723 1.00 0.00 C ATOM 485 CG TYR A 36 1.446 3.709 5.804 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.433 4.021 4.878 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.624 4.473 5.830 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.683 4.949 3.858 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.814 5.475 4.874 1.00 0.00 C ATOM 490 CZ TYR A 36 1.888 5.660 3.847 1.00 0.00 C ATOM 491 OH TYR A 36 2.236 6.467 2.814 1.00 0.00 O ATOM 0 H TYR A 36 1.198 0.775 4.013 1.00 0.00 H new ATOM 0 HA TYR A 36 1.228 0.421 6.788 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.564 2.727 7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.272 2.396 7.257 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.534 3.547 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.377 4.288 6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.051 5.115 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.685 6.111 4.931 1.00 0.00 H new ATOM 0 HH TYR A 36 1.732 6.210 2.014 1.00 0.00 H new ATOM 500 N CYS A 37 -1.340 1.039 6.700 1.00 0.00 N ATOM 501 CA CYS A 37 -2.769 0.820 6.579 1.00 0.00 C ATOM 502 C CYS A 37 -3.416 2.179 6.310 1.00 0.00 C ATOM 503 O CYS A 37 -3.645 2.962 7.228 1.00 0.00 O ATOM 504 CB CYS A 37 -3.276 0.084 7.829 1.00 0.00 C ATOM 505 SG CYS A 37 -2.410 -1.501 8.050 1.00 0.00 S ATOM 0 H CYS A 37 -1.038 1.183 7.664 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.037 0.171 5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.127 0.710 8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.348 -0.093 7.741 1.00 0.00 H new ATOM 509 N CYS A 38 -3.603 2.490 5.025 1.00 0.00 N ATOM 510 CA CYS A 38 -4.146 3.748 4.526 1.00 0.00 C ATOM 511 C CYS A 38 -5.667 3.766 4.708 1.00 0.00 C ATOM 512 O CYS A 38 -6.265 2.713 4.907 1.00 0.00 O ATOM 513 CB CYS A 38 -3.766 3.878 3.042 1.00 0.00 C ATOM 514 SG CYS A 38 -4.433 5.308 2.152 1.00 0.00 S ATOM 0 H CYS A 38 -3.369 1.841 4.274 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.735 4.591 5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.679 3.910 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.092 2.974 2.527 1.00 0.00 H new ATOM 518 N LEU A 39 -6.270 4.961 4.611 1.00 0.00 N ATOM 519 CA LEU A 39 -7.684 5.322 4.699 1.00 0.00 C ATOM 520 C LEU A 39 -8.644 4.133 4.807 1.00 0.00 C ATOM 521 O LEU A 39 -9.368 4.010 5.790 1.00 0.00 O ATOM 522 CB LEU A 39 -8.044 6.236 3.506 1.00 0.00 C ATOM 523 CG LEU A 39 -8.728 7.536 3.964 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.849 8.518 2.794 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.123 7.258 4.538 1.00 0.00 C ATOM 0 H LEU A 39 -5.704 5.794 4.449 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.817 5.855 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.139 6.479 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.704 5.700 2.824 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.109 7.975 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.335 9.432 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.855 8.755 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.443 8.066 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.580 8.196 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.744 6.790 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.037 6.590 5.395 1.00 0.00 H new ATOM 536 N LEU A 40 -8.658 3.290 3.773 1.00 0.00 N ATOM 537 CA LEU A 40 -9.380 2.028 3.768 1.00 0.00 C ATOM 538 C LEU A 40 -8.720 1.053 2.788 1.00 0.00 C ATOM 539 O LEU A 40 -9.380 0.452 1.941 1.00 0.00 O ATOM 540 CB LEU A 40 -10.878 2.275 3.504 1.00 0.00 C ATOM 541 CG LEU A 40 -11.253 3.322 2.459 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.651 3.091 1.069 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.778 3.423 2.348 1.00 0.00 C ATOM 0 H LEU A 40 -8.158 3.473 2.903 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.326 1.553 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.326 1.328 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.341 2.563 4.448 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.821 4.257 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.974 3.885 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.563 3.094 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.987 2.129 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.040 4.172 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.186 2.457 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.195 3.712 3.313 1.00 0.00 H new ATOM 554 N SER A 41 -7.383 0.955 2.813 1.00 0.00 N ATOM 555 CA SER A 41 -6.628 0.064 1.932 1.00 0.00 C ATOM 556 C SER A 41 -5.171 -0.034 2.400 1.00 0.00 C ATOM 557 O SER A 41 -4.793 0.612 3.373 1.00 0.00 O ATOM 558 CB SER A 41 -6.701 0.507 0.457 1.00 0.00 C ATOM 559 OG SER A 41 -7.648 1.534 0.214 1.00 0.00 O ATOM 0 H SER A 41 -6.796 1.495 3.449 1.00 0.00 H new ATOM 0 HA SER A 41 -7.087 -0.923 1.990 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.716 0.852 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.949 -0.357 -0.160 1.00 0.00 H new ATOM 0 HG SER A 41 -7.187 2.331 -0.122 1.00 0.00 H new ATOM 564 N CYS A 42 -4.344 -0.818 1.699 1.00 0.00 N ATOM 565 CA CYS A 42 -2.977 -1.122 2.116 1.00 0.00 C ATOM 566 C CYS A 42 -1.945 -0.554 1.158 1.00 0.00 C ATOM 567 O CYS A 42 -1.811 -1.000 0.016 1.00 0.00 O ATOM 568 CB CYS A 42 -2.822 -2.637 2.226 1.00 0.00 C ATOM 569 SG CYS A 42 -1.310 -3.188 3.037 1.00 0.00 S ATOM 0 H CYS A 42 -4.610 -1.261 0.820 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.800 -0.652 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.676 -3.036 2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.856 -3.065 1.224 1.00 0.00 H new ATOM 573 N TYR A 43 -1.222 0.447 1.657 1.00 0.00 N ATOM 574 CA TYR A 43 -0.140 1.094 0.957 1.00 0.00 C ATOM 575 C TYR A 43 1.100 0.261 1.092 1.00 0.00 C ATOM 576 O TYR A 43 1.349 -0.291 2.161 1.00 0.00 O ATOM 577 CB TYR A 43 0.152 2.440 1.605 1.00 0.00 C ATOM 578 CG TYR A 43 0.661 3.499 0.634 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.074 3.838 -0.518 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.941 4.051 0.812 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.494 4.664 -1.502 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.429 5.024 -0.077 1.00 0.00 C ATOM 583 CZ TYR A 43 1.696 5.334 -1.238 1.00 0.00 C ATOM 584 OH TYR A 43 2.124 6.253 -2.144 1.00 0.00 O ATOM 0 H TYR A 43 -1.386 0.833 2.587 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.420 1.219 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.757 2.806 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.892 2.299 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.078 3.462 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.555 3.725 1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.006 4.782 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.360 5.531 0.129 1.00 0.00 H new ATOM 0 HH TYR A 43 2.952 6.667 -1.824 1.00 0.00 H new ATOM 593 N CYS A 44 1.881 0.268 0.023 1.00 0.00 N ATOM 594 CA CYS A 44 3.156 -0.361 -0.166 1.00 0.00 C ATOM 595 C CYS A 44 3.995 0.744 -0.835 1.00 0.00 C ATOM 596 O CYS A 44 3.452 1.514 -1.630 1.00 0.00 O ATOM 597 CB CYS A 44 2.877 -1.581 -1.050 1.00 0.00 C ATOM 598 SG CYS A 44 2.524 -3.204 -0.331 1.00 0.00 S ATOM 0 H CYS A 44 1.596 0.772 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 44 3.684 -0.722 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.030 -1.325 -1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.741 -1.704 -1.703 1.00 0.00 H new ATOM 602 N PHE A 45 5.280 0.891 -0.498 1.00 0.00 N ATOM 603 CA PHE A 45 6.169 1.863 -1.128 1.00 0.00 C ATOM 604 C PHE A 45 7.083 1.129 -2.093 1.00 0.00 C ATOM 605 O PHE A 45 7.622 0.085 -1.734 1.00 0.00 O ATOM 606 CB PHE A 45 7.051 2.597 -0.119 1.00 0.00 C ATOM 607 CG PHE A 45 6.395 3.727 0.642 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.398 3.438 1.581 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.860 5.049 0.507 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.943 4.438 2.451 1.00 0.00 C ATOM 611 CE2 PHE A 45 6.273 6.082 1.258 1.00 0.00 C ATOM 612 CZ PHE A 45 5.321 5.775 2.244 1.00 0.00 C ATOM 0 H PHE A 45 5.733 0.333 0.226 1.00 0.00 H new ATOM 0 HA PHE A 45 5.541 2.599 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.425 1.870 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.917 2.997 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.979 2.444 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.668 5.270 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.302 4.181 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.553 7.109 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.882 6.562 2.839 1.00 0.00 H new ATOM 621 N GLY A 46 7.298 1.709 -3.274 1.00 0.00 N ATOM 622 CA GLY A 46 8.177 1.170 -4.287 1.00 0.00 C ATOM 623 C GLY A 46 7.851 -0.293 -4.531 1.00 0.00 C ATOM 624 O GLY A 46 8.684 -1.155 -4.258 1.00 0.00 O ATOM 0 H GLY A 46 6.852 2.584 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.068 1.735 -5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.215 1.272 -3.971 1.00 0.00 H new ATOM 628 N LEU A 47 6.640 -0.582 -5.019 1.00 0.00 N ATOM 629 CA LEU A 47 6.280 -1.888 -5.500 1.00 0.00 C ATOM 630 C LEU A 47 7.159 -2.259 -6.700 1.00 0.00 C ATOM 631 O LEU A 47 6.699 -2.217 -7.833 1.00 0.00 O ATOM 632 CB LEU A 47 4.822 -1.755 -5.920 1.00 0.00 C ATOM 633 CG LEU A 47 3.862 -1.534 -4.745 1.00 0.00 C ATOM 634 CD1 LEU A 47 3.399 -2.876 -4.179 1.00 0.00 C ATOM 635 CD2 LEU A 47 3.997 -0.428 -3.734 1.00 0.00 C ATOM 0 H LEU A 47 5.886 0.102 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 47 6.418 -2.668 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.728 -0.922 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.524 -2.655 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 47 3.078 -0.988 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.718 -2.704 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.885 -3.441 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.263 -3.442 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.187 -0.498 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.954 -0.520 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.948 0.536 -4.241 1.00 0.00 H new ATOM 646 N ASP A 48 8.423 -2.612 -6.462 1.00 0.00 N ATOM 647 CA ASP A 48 9.421 -2.808 -7.512 1.00 0.00 C ATOM 648 C ASP A 48 8.906 -3.787 -8.558 1.00 0.00 C ATOM 649 O ASP A 48 8.753 -3.462 -9.736 1.00 0.00 O ATOM 650 CB ASP A 48 10.718 -3.330 -6.894 1.00 0.00 C ATOM 651 CG ASP A 48 11.777 -3.485 -7.976 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.826 -4.587 -8.561 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.490 -2.488 -8.219 1.00 0.00 O ATOM 0 H ASP A 48 8.786 -2.772 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 48 9.615 -1.853 -8.001 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.068 -2.642 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.540 -4.288 -6.406 1.00 0.00 H new ATOM 657 N ASP A 49 8.564 -4.973 -8.058 1.00 0.00 N ATOM 658 CA ASP A 49 7.848 -6.038 -8.744 1.00 0.00 C ATOM 659 C ASP A 49 6.674 -5.469 -9.552 1.00 0.00 C ATOM 660 O ASP A 49 6.610 -5.655 -10.770 1.00 0.00 O ATOM 661 CB ASP A 49 7.403 -7.032 -7.664 1.00 0.00 C ATOM 662 CG ASP A 49 6.715 -8.275 -8.207 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.744 -8.108 -8.970 1.00 0.00 O ATOM 664 OD2 ASP A 49 7.099 -9.376 -7.755 1.00 0.00 O ATOM 0 H ASP A 49 8.797 -5.229 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 49 8.479 -6.548 -9.472 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.275 -7.336 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.725 -6.526 -6.977 1.00 0.00 H new ATOM 668 N ASP A 50 5.837 -4.673 -8.872 1.00 0.00 N ATOM 669 CA ASP A 50 4.606 -4.024 -9.308 1.00 0.00 C ATOM 670 C ASP A 50 3.537 -5.076 -9.519 1.00 0.00 C ATOM 671 O ASP A 50 3.363 -5.652 -10.591 1.00 0.00 O ATOM 672 CB ASP A 50 4.802 -3.230 -10.566 1.00 0.00 C ATOM 673 CG ASP A 50 3.570 -2.467 -11.025 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.815 -2.002 -10.143 1.00 0.00 O ATOM 675 OD2 ASP A 50 3.444 -2.302 -12.255 1.00 0.00 O ATOM 0 H ASP A 50 6.034 -4.448 -7.897 1.00 0.00 H new ATOM 0 HA ASP A 50 4.298 -3.325 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.616 -2.522 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.114 -3.905 -11.363 1.00 0.00 H new ATOM 679 N LYS A 51 2.842 -5.339 -8.432 1.00 0.00 N ATOM 680 CA LYS A 51 1.937 -6.490 -8.430 1.00 0.00 C ATOM 681 C LYS A 51 0.761 -6.259 -9.381 1.00 0.00 C ATOM 682 O LYS A 51 0.505 -7.071 -10.266 1.00 0.00 O ATOM 683 CB LYS A 51 1.509 -6.912 -7.016 1.00 0.00 C ATOM 684 CG LYS A 51 2.279 -8.167 -6.571 1.00 0.00 C ATOM 685 CD LYS A 51 3.763 -7.856 -6.325 1.00 0.00 C ATOM 686 CE LYS A 51 4.607 -9.093 -5.975 1.00 0.00 C ATOM 687 NZ LYS A 51 4.031 -9.907 -4.887 1.00 0.00 N ATOM 0 H LYS A 51 2.875 -4.801 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 51 2.492 -7.346 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.694 -6.098 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.437 -7.111 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.833 -8.565 -5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.189 -8.940 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.178 -7.385 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.843 -7.132 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.715 -9.713 -6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.608 -8.771 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.792 -10.239 -4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.360 -9.331 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.534 -10.726 -5.292 1.00 0.00 H new ATOM 697 N ALA A 52 0.059 -5.146 -9.178 1.00 0.00 N ATOM 698 CA ALA A 52 -1.034 -4.638 -9.997 1.00 0.00 C ATOM 699 C ALA A 52 -1.558 -3.415 -9.258 1.00 0.00 C ATOM 700 O ALA A 52 -2.685 -3.414 -8.764 1.00 0.00 O ATOM 701 CB ALA A 52 -2.135 -5.694 -10.156 1.00 0.00 C ATOM 0 H ALA A 52 0.253 -4.536 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.701 -4.389 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.940 -5.291 -10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.722 -6.581 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.527 -5.961 -9.175 1.00 0.00 H new ATOM 707 N VAL A 53 -0.682 -2.427 -9.057 1.00 0.00 N ATOM 708 CA VAL A 53 -0.897 -1.495 -7.962 1.00 0.00 C ATOM 709 C VAL A 53 -2.168 -0.671 -8.173 1.00 0.00 C ATOM 710 O VAL A 53 -2.474 -0.246 -9.288 1.00 0.00 O ATOM 711 CB VAL A 53 0.330 -0.619 -7.680 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.518 -1.501 -7.281 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.697 0.302 -8.848 1.00 0.00 C ATOM 0 H VAL A 53 0.152 -2.259 -9.619 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.046 -2.092 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 53 0.071 0.040 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.387 -0.873 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.266 -2.067 -6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.748 -2.191 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.573 0.894 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.918 -0.299 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.139 0.967 -9.063 1.00 0.00 H new ATOM 723 N LEU A 54 -2.941 -0.497 -7.103 1.00 0.00 N ATOM 724 CA LEU A 54 -4.327 -0.094 -7.235 1.00 0.00 C ATOM 725 C LEU A 54 -4.523 1.383 -7.544 1.00 0.00 C ATOM 726 O LEU A 54 -3.625 2.223 -7.496 1.00 0.00 O ATOM 727 CB LEU A 54 -5.147 -0.493 -6.000 1.00 0.00 C ATOM 728 CG LEU A 54 -6.379 -1.364 -6.310 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.011 -2.640 -7.076 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.076 -1.700 -4.987 1.00 0.00 C ATOM 0 H LEU A 54 -2.627 -0.630 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.695 -0.638 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.500 -1.033 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.476 0.412 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.052 -0.805 -6.960 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.913 -3.220 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.540 -2.373 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.318 -3.235 -6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.953 -2.317 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.387 -2.244 -4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.385 -0.778 -4.494 1.00 0.00 H new ATOM 741 N LYS A 55 -5.789 1.665 -7.824 1.00 0.00 N ATOM 742 CA LYS A 55 -6.289 2.922 -8.340 1.00 0.00 C ATOM 743 C LYS A 55 -6.496 3.905 -7.186 1.00 0.00 C ATOM 744 O LYS A 55 -7.618 4.319 -6.896 1.00 0.00 O ATOM 745 CB LYS A 55 -7.570 2.642 -9.147 1.00 0.00 C ATOM 746 CG LYS A 55 -7.928 3.777 -10.120 1.00 0.00 C ATOM 747 CD LYS A 55 -7.025 3.816 -11.364 1.00 0.00 C ATOM 748 CE LYS A 55 -7.355 2.696 -12.367 1.00 0.00 C ATOM 749 NZ LYS A 55 -6.485 2.745 -13.563 1.00 0.00 N ATOM 0 H LYS A 55 -6.532 0.980 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.573 3.391 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.444 1.716 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.400 2.486 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.965 3.663 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.857 4.731 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.131 4.783 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.983 3.728 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.244 1.728 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.397 2.781 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.742 1.973 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.609 3.658 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.492 2.638 -13.274 1.00 0.00 H new ATOM 759 N ILE A 56 -5.400 4.270 -6.520 1.00 0.00 N ATOM 760 CA ILE A 56 -5.443 5.274 -5.466 1.00 0.00 C ATOM 761 C ILE A 56 -6.073 6.573 -5.980 1.00 0.00 C ATOM 762 O ILE A 56 -5.731 7.063 -7.054 1.00 0.00 O ATOM 763 CB ILE A 56 -4.072 5.532 -4.800 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.855 5.354 -5.724 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.915 4.624 -3.584 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.531 5.646 -5.012 1.00 0.00 C ATOM 0 H ILE A 56 -4.473 3.883 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.077 4.866 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.081 6.585 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.840 4.334 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.955 6.017 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.948 4.807 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.710 4.833 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.975 3.582 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.705 5.506 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.531 6.675 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.414 4.966 -4.168 1.00 0.00 H new ATOM 777 N LYS A 57 -6.997 7.124 -5.189 1.00 0.00 N ATOM 778 CA LYS A 57 -7.584 8.429 -5.430 1.00 0.00 C ATOM 779 C LYS A 57 -6.505 9.463 -5.133 1.00 0.00 C ATOM 780 O LYS A 57 -5.707 9.243 -4.225 1.00 0.00 O ATOM 781 CB LYS A 57 -8.792 8.685 -4.514 1.00 0.00 C ATOM 782 CG LYS A 57 -9.758 7.495 -4.335 1.00 0.00 C ATOM 783 CD LYS A 57 -9.527 6.646 -3.066 1.00 0.00 C ATOM 784 CE LYS A 57 -10.084 7.294 -1.784 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.621 6.616 -0.547 1.00 0.00 N ATOM 0 H LYS A 57 -7.358 6.664 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.936 8.487 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.424 8.982 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.354 9.530 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.779 7.876 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.675 6.846 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.992 5.670 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.458 6.475 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.784 8.341 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.173 7.275 -1.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.406 6.561 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.296 5.656 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.837 7.156 -0.128 1.00 0.00 H new ATOM 795 N ASP A 58 -6.484 10.595 -5.829 1.00 0.00 N ATOM 796 CA ASP A 58 -5.348 11.512 -5.725 1.00 0.00 C ATOM 797 C ASP A 58 -5.216 12.060 -4.307 1.00 0.00 C ATOM 798 O ASP A 58 -4.145 12.111 -3.705 1.00 0.00 O ATOM 799 CB ASP A 58 -5.450 12.658 -6.730 1.00 0.00 C ATOM 800 CG ASP A 58 -4.038 13.102 -7.088 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.426 13.873 -6.319 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.477 12.559 -8.066 1.00 0.00 O ATOM 0 H ASP A 58 -7.225 10.898 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.451 10.940 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.985 12.334 -7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.013 13.488 -6.304 1.00 0.00 H new ATOM 806 N ALA A 59 -6.366 12.413 -3.743 1.00 0.00 N ATOM 807 CA ALA A 59 -6.449 12.785 -2.343 1.00 0.00 C ATOM 808 C ALA A 59 -5.916 11.677 -1.430 1.00 0.00 C ATOM 809 O ALA A 59 -5.210 11.975 -0.469 1.00 0.00 O ATOM 810 CB ALA A 59 -7.890 13.158 -1.987 1.00 0.00 C ATOM 0 H ALA A 59 -7.256 12.448 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.814 13.656 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.944 13.436 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.211 13.999 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.543 12.305 -2.171 1.00 0.00 H new ATOM 816 N THR A 60 -6.230 10.404 -1.708 1.00 0.00 N ATOM 817 CA THR A 60 -5.782 9.316 -0.848 1.00 0.00 C ATOM 818 C THR A 60 -4.275 9.129 -1.020 1.00 0.00 C ATOM 819 O THR A 60 -3.583 8.944 -0.034 1.00 0.00 O ATOM 820 CB THR A 60 -6.609 8.038 -1.098 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.164 7.521 0.096 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.848 6.904 -1.781 1.00 0.00 C ATOM 0 H THR A 60 -6.785 10.111 -2.512 1.00 0.00 H new ATOM 0 HA THR A 60 -5.955 9.563 0.199 1.00 0.00 H new ATOM 0 HB THR A 60 -7.390 8.378 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.832 6.611 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.511 6.049 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.490 7.240 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.999 6.612 -1.163 1.00 0.00 H new ATOM 830 N LYS A 61 -3.767 9.183 -2.253 1.00 0.00 N ATOM 831 CA LYS A 61 -2.351 9.161 -2.580 1.00 0.00 C ATOM 832 C LYS A 61 -1.642 10.195 -1.729 1.00 0.00 C ATOM 833 O LYS A 61 -0.759 9.865 -0.952 1.00 0.00 O ATOM 834 CB LYS A 61 -2.250 9.485 -4.075 1.00 0.00 C ATOM 835 CG LYS A 61 -0.982 10.142 -4.656 1.00 0.00 C ATOM 836 CD LYS A 61 -1.498 11.286 -5.543 1.00 0.00 C ATOM 837 CE LYS A 61 -0.453 12.027 -6.383 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.113 13.082 -7.183 1.00 0.00 N ATOM 0 H LYS A 61 -4.360 9.246 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.884 8.197 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.404 8.551 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.089 10.137 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.334 10.518 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.397 9.427 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.252 10.881 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.999 12.013 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.303 12.469 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.062 11.327 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.391 13.669 -7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.718 12.642 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.695 13.677 -6.560 1.00 0.00 H new ATOM 848 N SER A 62 -2.046 11.452 -1.889 1.00 0.00 N ATOM 849 CA SER A 62 -1.431 12.553 -1.160 1.00 0.00 C ATOM 850 C SER A 62 -1.432 12.266 0.349 1.00 0.00 C ATOM 851 O SER A 62 -0.373 12.242 0.980 1.00 0.00 O ATOM 852 CB SER A 62 -2.145 13.864 -1.515 1.00 0.00 C ATOM 853 OG SER A 62 -1.480 14.973 -0.945 1.00 0.00 O ATOM 0 H SER A 62 -2.798 11.732 -2.519 1.00 0.00 H new ATOM 0 HA SER A 62 -0.387 12.657 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.187 13.978 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.174 13.830 -1.158 1.00 0.00 H new ATOM 0 HG SER A 62 -1.952 15.797 -1.186 1.00 0.00 H new ATOM 858 N TYR A 63 -2.617 11.991 0.902 1.00 0.00 N ATOM 859 CA TYR A 63 -2.797 11.635 2.301 1.00 0.00 C ATOM 860 C TYR A 63 -1.853 10.511 2.718 1.00 0.00 C ATOM 861 O TYR A 63 -1.301 10.529 3.815 1.00 0.00 O ATOM 862 CB TYR A 63 -4.246 11.182 2.522 1.00 0.00 C ATOM 863 CG TYR A 63 -4.595 10.803 3.951 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.233 11.641 5.024 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.217 9.568 4.218 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.423 11.214 6.350 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.395 9.136 5.543 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.989 9.956 6.608 1.00 0.00 C ATOM 869 OH TYR A 63 -5.151 9.523 7.890 1.00 0.00 O ATOM 0 H TYR A 63 -3.490 12.012 0.375 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.572 12.512 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.913 11.983 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.444 10.326 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.808 12.614 4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.559 8.950 3.401 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.133 11.854 7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.844 8.174 5.742 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.558 8.632 7.885 1.00 0.00 H new ATOM 878 N CYS A 64 -1.723 9.508 1.851 1.00 0.00 N ATOM 879 CA CYS A 64 -1.055 8.249 2.122 1.00 0.00 C ATOM 880 C CYS A 64 0.218 8.092 1.296 1.00 0.00 C ATOM 881 O CYS A 64 0.501 6.972 0.884 1.00 0.00 O ATOM 882 CB CYS A 64 -2.011 7.075 1.854 1.00 0.00 C ATOM 883 SG CYS A 64 -3.441 6.949 2.940 1.00 0.00 S ATOM 0 H CYS A 64 -2.098 9.559 0.904 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.766 8.247 3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.367 7.151 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.443 6.148 1.927 1.00 0.00 H new ATOM 887 N ASP A 65 1.019 9.147 1.097 1.00 0.00 N ATOM 888 CA ASP A 65 2.389 9.008 0.598 1.00 0.00 C ATOM 889 C ASP A 65 3.385 9.756 1.483 1.00 0.00 C ATOM 890 O ASP A 65 4.325 9.174 2.025 1.00 0.00 O ATOM 891 CB ASP A 65 2.466 9.492 -0.847 1.00 0.00 C ATOM 892 CG ASP A 65 3.826 9.153 -1.438 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.048 7.945 -1.690 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.621 10.095 -1.621 1.00 0.00 O ATOM 0 H ASP A 65 0.737 10.111 1.276 1.00 0.00 H new ATOM 0 HA ASP A 65 2.662 7.953 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.677 9.026 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.301 10.569 -0.888 1.00 0.00 H new ATOM 898 N VAL A 66 3.138 11.057 1.671 1.00 0.00 N ATOM 899 CA VAL A 66 4.005 11.969 2.416 1.00 0.00 C ATOM 900 C VAL A 66 4.288 11.460 3.838 1.00 0.00 C ATOM 901 O VAL A 66 5.352 11.732 4.390 1.00 0.00 O ATOM 902 CB VAL A 66 3.380 13.381 2.417 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.266 14.390 3.162 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.173 13.894 0.985 1.00 0.00 C ATOM 0 H VAL A 66 2.306 11.515 1.298 1.00 0.00 H new ATOM 0 HA VAL A 66 4.974 12.017 1.920 1.00 0.00 H new ATOM 0 HB VAL A 66 2.420 13.294 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.794 15.372 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.393 14.069 4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.241 14.446 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.732 14.890 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.134 13.938 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.506 13.218 0.449 1.00 0.00 H new ATOM 914 N GLN A 67 3.340 10.705 4.397 1.00 0.00 N ATOM 915 CA GLN A 67 3.346 9.997 5.666 1.00 0.00 C ATOM 916 C GLN A 67 4.743 9.748 6.233 1.00 0.00 C ATOM 917 O GLN A 67 5.100 10.264 7.290 1.00 0.00 O ATOM 918 CB GLN A 67 2.645 8.663 5.382 1.00 0.00 C ATOM 919 CG GLN A 67 1.129 8.824 5.277 1.00 0.00 C ATOM 920 CD GLN A 67 0.423 9.052 6.569 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.867 8.695 7.655 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.785 9.537 6.384 1.00 0.00 N ATOM 0 H GLN A 67 2.454 10.563 3.912 1.00 0.00 H new ATOM 0 HA GLN A 67 2.846 10.599 6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.030 8.242 4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.880 7.954 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.914 9.660 4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.717 7.930 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.086 9.814 5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.421 9.636 7.175 1.00 0.00 H new ATOM 929 N ILE A 68 5.512 8.912 5.541 1.00 0.00 N ATOM 930 CA ILE A 68 6.790 8.412 6.024 1.00 0.00 C ATOM 931 C ILE A 68 7.919 9.395 5.685 1.00 0.00 C ATOM 932 O ILE A 68 8.986 9.341 6.291 1.00 0.00 O ATOM 933 CB ILE A 68 6.981 6.998 5.453 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.999 6.020 6.128 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.416 6.485 5.530 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.417 5.385 7.456 1.00 0.00 C ATOM 0 H ILE A 68 5.259 8.560 4.618 1.00 0.00 H new ATOM 0 HA ILE A 68 6.812 8.337 7.111 1.00 0.00 H new ATOM 0 HB ILE A 68 6.759 7.061 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.060 6.549 6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.792 5.215 5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.467 5.482 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.071 7.150 4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.737 6.457 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.626 4.722 7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.333 4.812 7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.590 6.167 8.195 1.00 0.00 H new ATOM 947 N ILE A 69 7.691 10.312 4.739 1.00 0.00 N ATOM 948 CA ILE A 69 8.657 11.331 4.361 1.00 0.00 C ATOM 949 C ILE A 69 8.617 12.425 5.426 1.00 0.00 C ATOM 950 O ILE A 69 9.654 12.948 5.834 1.00 0.00 O ATOM 951 CB ILE A 69 8.339 11.879 2.954 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.175 10.725 1.943 1.00 0.00 C ATOM 953 CG2 ILE A 69 9.449 12.843 2.505 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.878 11.200 0.518 1.00 0.00 C ATOM 0 H ILE A 69 6.819 10.362 4.213 1.00 0.00 H new ATOM 0 HA ILE A 69 9.663 10.915 4.310 1.00 0.00 H new ATOM 0 HB ILE A 69 7.396 12.425 2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.086 10.127 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.368 10.073 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.218 13.226 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.516 13.674 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.401 12.314 2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.775 10.337 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.951 11.774 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.696 11.828 0.166 1.00 0.00 H new TER 965 ILE A 69