USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 44 SER OG : rot 4:sc= 0.496 USER MOD Set 1.2: A 47 THR OG1 : rot -69:sc= 0.914 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.585 K(o=-0.16,f=-8.2!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.425 K(o=-0.16,f=-0.98) USER MOD Set 3.1: A 26 SER OG : rot -91:sc= 0.503! USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 77:sc= 0.417 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 60:sc= -4.87! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.76! C(o=-2.8!,f=-5.9!) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.298) USER MOD Single : A 30 THR OG1 : rot 12:sc= 0.571 USER MOD Single : A 31 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.9!) USER MOD Single : A 45 ASN :FLIP amide:sc= -8.82! C(o=-9.6!,f=-8.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.352 10.392 6.084 1.00 0.00 N ATOM 2 CA LEU A 1 11.500 8.942 5.775 1.00 0.00 C ATOM 3 C LEU A 1 11.208 8.703 4.293 1.00 0.00 C ATOM 4 O LEU A 1 10.076 8.755 3.858 1.00 0.00 O ATOM 5 CB LEU A 1 10.515 8.140 6.626 1.00 0.00 C ATOM 6 CG LEU A 1 11.115 6.769 6.944 1.00 0.00 C ATOM 7 CD1 LEU A 1 10.474 6.213 8.217 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.842 5.816 5.779 1.00 0.00 C ATOM 0 H1 LEU A 1 11.551 10.554 7.092 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.021 10.940 5.507 1.00 0.00 H new ATOM 0 H3 LEU A 1 10.381 10.695 5.869 1.00 0.00 H new ATOM 0 HA LEU A 1 12.518 8.623 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.295 8.676 7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.571 8.021 6.094 1.00 0.00 H new ATOM 0 HG LEU A 1 12.190 6.867 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 1 10.902 5.236 8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 1 10.664 6.893 9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.399 6.113 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.268 4.838 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.766 5.719 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.297 6.212 4.871 1.00 0.00 H new ATOM 22 N ALA A 2 12.224 8.439 3.515 1.00 0.00 N ATOM 23 CA ALA A 2 12.008 8.194 2.060 1.00 0.00 C ATOM 24 C ALA A 2 11.047 9.246 1.499 1.00 0.00 C ATOM 25 O ALA A 2 11.454 10.319 1.101 1.00 0.00 O ATOM 26 CB ALA A 2 11.414 6.798 1.861 1.00 0.00 C ATOM 0 H ALA A 2 13.194 8.383 3.825 1.00 0.00 H new ATOM 0 HA ALA A 2 12.961 8.261 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.256 6.618 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.101 6.050 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.461 6.730 2.386 1.00 0.00 H new ATOM 32 N ALA A 3 9.775 8.950 1.461 1.00 0.00 N ATOM 33 CA ALA A 3 8.796 9.938 0.925 1.00 0.00 C ATOM 34 C ALA A 3 7.407 9.641 1.494 1.00 0.00 C ATOM 35 O ALA A 3 7.218 8.697 2.234 1.00 0.00 O ATOM 36 CB ALA A 3 8.756 9.838 -0.602 1.00 0.00 C ATOM 0 H ALA A 3 9.373 8.068 1.778 1.00 0.00 H new ATOM 0 HA ALA A 3 9.098 10.944 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.040 10.560 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.746 10.051 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.454 8.832 -0.893 1.00 0.00 H new ATOM 42 N VAL A 4 6.431 10.441 1.154 1.00 0.00 N ATOM 43 CA VAL A 4 5.056 10.203 1.675 1.00 0.00 C ATOM 44 C VAL A 4 4.209 9.535 0.589 1.00 0.00 C ATOM 45 O VAL A 4 3.339 10.147 0.003 1.00 0.00 O ATOM 46 CB VAL A 4 4.421 11.537 2.070 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.330 11.295 3.115 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.493 12.457 2.659 1.00 0.00 C ATOM 0 H VAL A 4 6.528 11.248 0.538 1.00 0.00 H new ATOM 0 HA VAL A 4 5.106 9.553 2.549 1.00 0.00 H new ATOM 0 HB VAL A 4 3.983 12.005 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.878 12.246 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.566 10.639 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.768 10.827 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.041 13.408 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.931 11.988 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.271 12.631 1.916 1.00 0.00 H new ATOM 58 N SER A 5 4.458 8.284 0.319 1.00 0.00 N ATOM 59 CA SER A 5 3.671 7.574 -0.728 1.00 0.00 C ATOM 60 C SER A 5 4.395 6.286 -1.120 1.00 0.00 C ATOM 61 O SER A 5 5.608 6.240 -1.180 1.00 0.00 O ATOM 62 CB SER A 5 3.527 8.472 -1.958 1.00 0.00 C ATOM 63 OG SER A 5 2.176 8.898 -2.074 1.00 0.00 O ATOM 0 H SER A 5 5.174 7.721 0.779 1.00 0.00 H new ATOM 0 HA SER A 5 2.682 7.333 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.186 9.336 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.828 7.930 -2.855 1.00 0.00 H new ATOM 0 HG SER A 5 1.999 9.606 -1.420 1.00 0.00 H new ATOM 69 N VAL A 6 3.665 5.238 -1.386 1.00 0.00 N ATOM 70 CA VAL A 6 4.318 3.957 -1.773 1.00 0.00 C ATOM 71 C VAL A 6 4.387 3.858 -3.297 1.00 0.00 C ATOM 72 O VAL A 6 3.580 4.430 -4.004 1.00 0.00 O ATOM 73 CB VAL A 6 3.508 2.781 -1.228 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.357 1.509 -1.272 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.099 3.069 0.218 1.00 0.00 C ATOM 0 H VAL A 6 2.646 5.214 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 6 5.325 3.928 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 6 2.616 2.643 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.778 0.671 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.649 1.302 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.250 1.647 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.521 2.230 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.992 3.208 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.492 3.974 0.251 1.00 0.00 H new ATOM 85 N ASP A 7 5.338 3.130 -3.807 1.00 0.00 N ATOM 86 CA ASP A 7 5.457 2.986 -5.285 1.00 0.00 C ATOM 87 C ASP A 7 4.733 1.712 -5.721 1.00 0.00 C ATOM 88 O ASP A 7 5.136 0.614 -5.390 1.00 0.00 O ATOM 89 CB ASP A 7 6.935 2.897 -5.673 1.00 0.00 C ATOM 90 CG ASP A 7 7.091 3.212 -7.162 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.082 3.266 -7.844 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.218 3.395 -7.593 1.00 0.00 O ATOM 0 H ASP A 7 6.040 2.627 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 7 5.009 3.849 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.521 3.598 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.319 1.899 -5.459 1.00 0.00 H new ATOM 97 N CYS A 8 3.668 1.846 -6.461 1.00 0.00 N ATOM 98 CA CYS A 8 2.921 0.641 -6.915 1.00 0.00 C ATOM 99 C CYS A 8 2.857 0.633 -8.441 1.00 0.00 C ATOM 100 O CYS A 8 1.828 0.367 -9.029 1.00 0.00 O ATOM 101 CB CYS A 8 1.502 0.664 -6.342 1.00 0.00 C ATOM 102 SG CYS A 8 1.554 1.158 -4.601 1.00 0.00 S ATOM 0 H CYS A 8 3.283 2.738 -6.771 1.00 0.00 H new ATOM 0 HA CYS A 8 3.432 -0.256 -6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.882 1.359 -6.909 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.045 -0.321 -6.437 1.00 0.00 H new ATOM 107 N SER A 9 3.954 0.923 -9.088 1.00 0.00 N ATOM 108 CA SER A 9 3.963 0.934 -10.580 1.00 0.00 C ATOM 109 C SER A 9 4.130 -0.494 -11.109 1.00 0.00 C ATOM 110 O SER A 9 4.376 -0.709 -12.280 1.00 0.00 O ATOM 111 CB SER A 9 5.121 1.800 -11.077 1.00 0.00 C ATOM 112 OG SER A 9 4.601 2.933 -11.764 1.00 0.00 O ATOM 0 H SER A 9 4.845 1.153 -8.648 1.00 0.00 H new ATOM 0 HA SER A 9 3.020 1.343 -10.941 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.737 2.121 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.764 1.222 -11.741 1.00 0.00 H new ATOM 0 HG SER A 9 5.341 3.491 -12.082 1.00 0.00 H new ATOM 118 N GLU A 10 3.994 -1.468 -10.257 1.00 0.00 N ATOM 119 CA GLU A 10 4.136 -2.882 -10.701 1.00 0.00 C ATOM 120 C GLU A 10 2.985 -3.703 -10.118 1.00 0.00 C ATOM 121 O GLU A 10 3.068 -4.907 -9.984 1.00 0.00 O ATOM 122 CB GLU A 10 5.473 -3.435 -10.203 1.00 0.00 C ATOM 123 CG GLU A 10 6.593 -2.456 -10.567 1.00 0.00 C ATOM 124 CD GLU A 10 6.633 -1.320 -9.543 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.327 -1.576 -8.390 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.970 -0.213 -9.930 1.00 0.00 O ATOM 0 H GLU A 10 3.789 -1.346 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 10 4.108 -2.938 -11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.439 -3.582 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.666 -4.410 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.551 -2.975 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.427 -2.053 -11.566 1.00 0.00 H new ATOM 133 N TYR A 11 1.910 -3.050 -9.767 1.00 0.00 N ATOM 134 CA TYR A 11 0.746 -3.757 -9.188 1.00 0.00 C ATOM 135 C TYR A 11 -0.367 -3.827 -10.241 1.00 0.00 C ATOM 136 O TYR A 11 -0.317 -3.138 -11.240 1.00 0.00 O ATOM 137 CB TYR A 11 0.285 -2.980 -7.950 1.00 0.00 C ATOM 138 CG TYR A 11 1.153 -3.390 -6.783 1.00 0.00 C ATOM 139 CD1 TYR A 11 0.791 -4.477 -5.975 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.338 -2.691 -6.523 1.00 0.00 C ATOM 141 CE1 TYR A 11 1.616 -4.861 -4.909 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.158 -3.074 -5.455 1.00 0.00 C ATOM 143 CZ TYR A 11 2.797 -4.159 -4.650 1.00 0.00 C ATOM 144 OH TYR A 11 3.609 -4.543 -3.604 1.00 0.00 O ATOM 0 H TYR A 11 1.794 -2.041 -9.861 1.00 0.00 H new ATOM 0 HA TYR A 11 1.006 -4.774 -8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.364 -1.907 -8.124 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.763 -3.192 -7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.122 -5.018 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.620 -1.856 -7.147 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.339 -5.700 -4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.070 -2.531 -5.253 1.00 0.00 H new ATOM 0 HH TYR A 11 3.906 -5.467 -3.743 1.00 0.00 H new ATOM 154 N PRO A 12 -1.326 -4.678 -9.993 1.00 0.00 N ATOM 155 CA PRO A 12 -1.379 -5.508 -8.782 1.00 0.00 C ATOM 156 C PRO A 12 -0.598 -6.811 -8.969 1.00 0.00 C ATOM 157 O PRO A 12 -0.291 -7.214 -10.073 1.00 0.00 O ATOM 158 CB PRO A 12 -2.877 -5.792 -8.619 1.00 0.00 C ATOM 159 CG PRO A 12 -3.523 -5.579 -10.017 1.00 0.00 C ATOM 160 CD PRO A 12 -2.455 -4.910 -10.907 1.00 0.00 C ATOM 0 HA PRO A 12 -0.934 -5.021 -7.914 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.042 -6.810 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.320 -5.123 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.841 -6.530 -10.444 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.411 -4.951 -9.941 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.169 -5.553 -11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.820 -3.977 -11.336 1.00 0.00 H new ATOM 168 N LYS A 13 -0.284 -7.472 -7.888 1.00 0.00 N ATOM 169 CA LYS A 13 0.472 -8.754 -7.983 1.00 0.00 C ATOM 170 C LYS A 13 -0.420 -9.896 -7.490 1.00 0.00 C ATOM 171 O LYS A 13 -1.199 -9.718 -6.575 1.00 0.00 O ATOM 172 CB LYS A 13 1.737 -8.689 -7.114 1.00 0.00 C ATOM 173 CG LYS A 13 2.030 -7.246 -6.698 1.00 0.00 C ATOM 174 CD LYS A 13 3.534 -7.075 -6.480 1.00 0.00 C ATOM 175 CE LYS A 13 4.055 -8.205 -5.588 1.00 0.00 C ATOM 176 NZ LYS A 13 5.544 -8.163 -5.551 1.00 0.00 N ATOM 0 H LYS A 13 -0.519 -7.178 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 13 0.762 -8.924 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.608 -9.310 -6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.585 -9.094 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.682 -6.557 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.489 -7.003 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.054 -7.085 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.737 -6.109 -6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.653 -8.102 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.717 -9.169 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.898 -8.931 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.919 -8.281 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.856 -7.248 -5.168 1.00 0.00 H new ATOM 190 N PRO A 14 -0.281 -11.042 -8.113 1.00 0.00 N ATOM 191 CA PRO A 14 -1.068 -12.242 -7.758 1.00 0.00 C ATOM 192 C PRO A 14 -0.495 -12.923 -6.511 1.00 0.00 C ATOM 193 O PRO A 14 -0.822 -14.050 -6.198 1.00 0.00 O ATOM 194 CB PRO A 14 -0.917 -13.140 -8.985 1.00 0.00 C ATOM 195 CG PRO A 14 0.371 -12.680 -9.707 1.00 0.00 C ATOM 196 CD PRO A 14 0.657 -11.244 -9.238 1.00 0.00 C ATOM 0 HA PRO A 14 -2.107 -12.014 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.845 -14.188 -8.693 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.783 -13.050 -9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.205 -13.339 -9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.241 -12.714 -10.789 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.693 -11.127 -8.920 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.485 -10.522 -10.036 1.00 0.00 H new ATOM 204 N ALA A 15 0.353 -12.242 -5.803 1.00 0.00 N ATOM 205 CA ALA A 15 0.956 -12.827 -4.573 1.00 0.00 C ATOM 206 C ALA A 15 1.571 -11.704 -3.742 1.00 0.00 C ATOM 207 O ALA A 15 2.582 -11.134 -4.103 1.00 0.00 O ATOM 208 CB ALA A 15 2.044 -13.831 -4.962 1.00 0.00 C ATOM 0 H ALA A 15 0.660 -11.294 -6.023 1.00 0.00 H new ATOM 0 HA ALA A 15 0.188 -13.339 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.484 -14.258 -4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.606 -14.627 -5.564 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.818 -13.324 -5.538 1.00 0.00 H new ATOM 214 N CYS A 16 0.965 -11.371 -2.636 1.00 0.00 N ATOM 215 CA CYS A 16 1.513 -10.274 -1.793 1.00 0.00 C ATOM 216 C CYS A 16 2.673 -10.797 -0.949 1.00 0.00 C ATOM 217 O CYS A 16 2.575 -11.828 -0.313 1.00 0.00 O ATOM 218 CB CYS A 16 0.415 -9.742 -0.870 1.00 0.00 C ATOM 219 SG CYS A 16 -0.791 -8.811 -1.845 1.00 0.00 S ATOM 0 H CYS A 16 0.116 -11.811 -2.281 1.00 0.00 H new ATOM 0 HA CYS A 16 1.870 -9.472 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.076 -10.569 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.849 -9.103 -0.101 1.00 0.00 H new ATOM 224 N THR A 17 3.767 -10.089 -0.928 1.00 0.00 N ATOM 225 CA THR A 17 4.922 -10.546 -0.111 1.00 0.00 C ATOM 226 C THR A 17 4.427 -10.818 1.307 1.00 0.00 C ATOM 227 O THR A 17 3.257 -10.676 1.598 1.00 0.00 O ATOM 228 CB THR A 17 5.996 -9.456 -0.080 1.00 0.00 C ATOM 229 OG1 THR A 17 5.380 -8.193 0.130 1.00 0.00 O ATOM 230 CG2 THR A 17 6.750 -9.444 -1.411 1.00 0.00 C ATOM 0 H THR A 17 3.910 -9.218 -1.439 1.00 0.00 H new ATOM 0 HA THR A 17 5.352 -11.451 -0.541 1.00 0.00 H new ATOM 0 HB THR A 17 6.697 -9.657 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.066 -7.494 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.515 -8.668 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.222 -10.414 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.052 -9.242 -2.223 1.00 0.00 H new ATOM 238 N LEU A 18 5.295 -11.207 2.195 1.00 0.00 N ATOM 239 CA LEU A 18 4.837 -11.479 3.582 1.00 0.00 C ATOM 240 C LEU A 18 5.364 -10.396 4.523 1.00 0.00 C ATOM 241 O LEU A 18 4.875 -10.231 5.623 1.00 0.00 O ATOM 242 CB LEU A 18 5.342 -12.851 4.034 1.00 0.00 C ATOM 243 CG LEU A 18 4.532 -13.947 3.339 1.00 0.00 C ATOM 244 CD1 LEU A 18 5.481 -14.917 2.633 1.00 0.00 C ATOM 245 CD2 LEU A 18 3.710 -14.709 4.378 1.00 0.00 C ATOM 0 H LEU A 18 6.291 -11.347 2.024 1.00 0.00 H new ATOM 0 HA LEU A 18 3.747 -11.474 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.400 -12.958 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.249 -12.946 5.116 1.00 0.00 H new ATOM 0 HG LEU A 18 3.865 -13.493 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.902 -15.697 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.069 -14.376 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.149 -15.370 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.133 -15.490 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.379 -15.161 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.032 -14.020 4.882 1.00 0.00 H new ATOM 257 N GLU A 19 6.352 -9.650 4.103 1.00 0.00 N ATOM 258 CA GLU A 19 6.889 -8.573 4.983 1.00 0.00 C ATOM 259 C GLU A 19 5.710 -7.809 5.588 1.00 0.00 C ATOM 260 O GLU A 19 4.771 -7.462 4.900 1.00 0.00 O ATOM 261 CB GLU A 19 7.752 -7.616 4.155 1.00 0.00 C ATOM 262 CG GLU A 19 9.029 -8.333 3.709 1.00 0.00 C ATOM 263 CD GLU A 19 9.119 -8.316 2.182 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.403 -7.261 1.637 1.00 0.00 O ATOM 265 OE2 GLU A 19 8.903 -9.356 1.583 1.00 0.00 O ATOM 0 H GLU A 19 6.807 -9.740 3.195 1.00 0.00 H new ATOM 0 HA GLU A 19 7.500 -9.006 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.195 -7.268 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.004 -6.735 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.902 -7.844 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.027 -9.361 4.072 1.00 0.00 H new ATOM 272 N TYR A 20 5.732 -7.559 6.868 1.00 0.00 N ATOM 273 CA TYR A 20 4.587 -6.837 7.487 1.00 0.00 C ATOM 274 C TYR A 20 4.826 -5.326 7.451 1.00 0.00 C ATOM 275 O TYR A 20 5.462 -4.762 8.320 1.00 0.00 O ATOM 276 CB TYR A 20 4.401 -7.294 8.936 1.00 0.00 C ATOM 277 CG TYR A 20 3.078 -6.778 9.455 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.932 -6.839 8.648 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.997 -6.234 10.742 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.709 -6.356 9.131 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.774 -5.752 11.224 1.00 0.00 C ATOM 282 CZ TYR A 20 0.631 -5.813 10.419 1.00 0.00 C ATOM 283 OH TYR A 20 -0.575 -5.336 10.894 1.00 0.00 O ATOM 0 H TYR A 20 6.484 -7.820 7.505 1.00 0.00 H new ATOM 0 HA TYR A 20 3.686 -7.066 6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.428 -8.382 8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.218 -6.922 9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.993 -7.258 7.655 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.879 -6.186 11.364 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.173 -6.402 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.713 -5.333 12.218 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.456 -4.994 11.805 1.00 0.00 H new ATOM 293 N ARG A 21 4.295 -4.672 6.458 1.00 0.00 N ATOM 294 CA ARG A 21 4.450 -3.194 6.352 1.00 0.00 C ATOM 295 C ARG A 21 3.051 -2.586 6.233 1.00 0.00 C ATOM 296 O ARG A 21 2.562 -2.363 5.145 1.00 0.00 O ATOM 297 CB ARG A 21 5.274 -2.850 5.109 1.00 0.00 C ATOM 298 CG ARG A 21 6.368 -3.904 4.916 1.00 0.00 C ATOM 299 CD ARG A 21 7.496 -3.321 4.063 1.00 0.00 C ATOM 300 NE ARG A 21 8.587 -2.831 4.950 1.00 0.00 N ATOM 301 CZ ARG A 21 8.487 -1.662 5.521 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.543 -0.577 4.798 1.00 0.00 N ATOM 303 NH2 ARG A 21 8.328 -1.579 6.814 1.00 0.00 N ATOM 0 H ARG A 21 3.755 -5.102 5.707 1.00 0.00 H new ATOM 0 HA ARG A 21 4.964 -2.798 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.630 -2.814 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.721 -1.862 5.217 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.757 -4.221 5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.954 -4.789 4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.880 -4.080 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.117 -2.504 3.449 1.00 0.00 H new ATOM 0 HE ARG A 21 9.412 -3.409 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.665 -0.643 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.465 0.337 5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.282 -2.428 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.250 -0.665 7.261 1.00 0.00 H new ATOM 317 N PRO A 22 2.439 -2.356 7.363 1.00 0.00 N ATOM 318 CA PRO A 22 1.072 -1.814 7.421 1.00 0.00 C ATOM 319 C PRO A 22 1.021 -0.366 6.960 1.00 0.00 C ATOM 320 O PRO A 22 1.347 0.530 7.702 1.00 0.00 O ATOM 321 CB PRO A 22 0.688 -1.942 8.902 1.00 0.00 C ATOM 322 CG PRO A 22 2.016 -2.048 9.683 1.00 0.00 C ATOM 323 CD PRO A 22 3.060 -2.582 8.684 1.00 0.00 C ATOM 0 HA PRO A 22 0.387 -2.346 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.111 -1.078 9.231 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.067 -2.822 9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.315 -1.076 10.076 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.914 -2.719 10.536 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.008 -2.052 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.269 -3.639 8.851 1.00 0.00 H new ATOM 331 N LEU A 23 0.593 -0.121 5.749 1.00 0.00 N ATOM 332 CA LEU A 23 0.505 1.280 5.290 1.00 0.00 C ATOM 333 C LEU A 23 -0.941 1.716 5.436 1.00 0.00 C ATOM 334 O LEU A 23 -1.816 1.224 4.751 1.00 0.00 O ATOM 335 CB LEU A 23 0.924 1.376 3.829 1.00 0.00 C ATOM 336 CG LEU A 23 2.032 0.364 3.551 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.057 0.052 2.067 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.374 0.953 3.975 1.00 0.00 C ATOM 0 H LEU A 23 0.306 -0.827 5.071 1.00 0.00 H new ATOM 0 HA LEU A 23 1.164 1.918 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.069 1.183 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.273 2.384 3.605 1.00 0.00 H new ATOM 0 HG LEU A 23 1.847 -0.551 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.846 -0.671 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.096 -0.365 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.247 0.967 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.167 0.232 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.565 1.866 3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.350 1.183 5.040 1.00 0.00 H new ATOM 350 N CYS A 24 -1.216 2.624 6.320 1.00 0.00 N ATOM 351 CA CYS A 24 -2.628 3.053 6.476 1.00 0.00 C ATOM 352 C CYS A 24 -2.940 4.013 5.350 1.00 0.00 C ATOM 353 O CYS A 24 -2.323 5.049 5.217 1.00 0.00 O ATOM 354 CB CYS A 24 -2.844 3.726 7.830 1.00 0.00 C ATOM 355 SG CYS A 24 -4.123 2.816 8.722 1.00 0.00 S ATOM 0 H CYS A 24 -0.540 3.082 6.932 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.291 2.189 6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.916 3.734 8.402 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.143 4.765 7.693 1.00 0.00 H new ATOM 360 N GLY A 25 -3.869 3.668 4.515 1.00 0.00 N ATOM 361 CA GLY A 25 -4.176 4.561 3.381 1.00 0.00 C ATOM 362 C GLY A 25 -4.584 5.926 3.924 1.00 0.00 C ATOM 363 O GLY A 25 -4.340 6.250 5.068 1.00 0.00 O ATOM 0 H GLY A 25 -4.424 2.814 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.306 4.658 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.980 4.140 2.777 1.00 0.00 H new ATOM 367 N SER A 26 -5.232 6.715 3.117 1.00 0.00 N ATOM 368 CA SER A 26 -5.689 8.047 3.594 1.00 0.00 C ATOM 369 C SER A 26 -7.103 7.897 4.161 1.00 0.00 C ATOM 370 O SER A 26 -7.566 8.711 4.935 1.00 0.00 O ATOM 371 CB SER A 26 -5.722 9.028 2.421 1.00 0.00 C ATOM 372 OG SER A 26 -6.283 8.382 1.287 1.00 0.00 O ATOM 0 H SER A 26 -5.465 6.496 2.148 1.00 0.00 H new ATOM 0 HA SER A 26 -5.009 8.423 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.312 9.907 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.714 9.376 2.194 1.00 0.00 H new ATOM 0 HG SER A 26 -5.568 7.972 0.757 1.00 0.00 H new ATOM 378 N ASP A 27 -7.795 6.857 3.770 1.00 0.00 N ATOM 379 CA ASP A 27 -9.183 6.646 4.272 1.00 0.00 C ATOM 380 C ASP A 27 -9.145 5.850 5.578 1.00 0.00 C ATOM 381 O ASP A 27 -10.169 5.467 6.106 1.00 0.00 O ATOM 382 CB ASP A 27 -9.995 5.881 3.221 1.00 0.00 C ATOM 383 CG ASP A 27 -9.606 4.400 3.237 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.970 3.724 4.184 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.954 3.968 2.300 1.00 0.00 O ATOM 0 H ASP A 27 -7.456 6.145 3.123 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.652 7.612 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.061 5.988 3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.815 6.303 2.232 1.00 0.00 H new ATOM 390 N ASN A 28 -7.973 5.604 6.100 1.00 0.00 N ATOM 391 CA ASN A 28 -7.854 4.840 7.377 1.00 0.00 C ATOM 392 C ASN A 28 -7.977 3.339 7.103 1.00 0.00 C ATOM 393 O ASN A 28 -8.458 2.587 7.929 1.00 0.00 O ATOM 394 CB ASN A 28 -8.957 5.278 8.349 1.00 0.00 C ATOM 395 CG ASN A 28 -8.606 4.825 9.767 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.636 5.278 10.340 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.364 3.947 10.366 1.00 0.00 N ATOM 0 H ASN A 28 -7.086 5.902 5.694 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.880 5.043 7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.070 6.362 8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.913 4.850 8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.141 3.643 11.314 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.179 3.565 9.886 1.00 0.00 H new ATOM 404 N LYS A 29 -7.534 2.890 5.961 1.00 0.00 N ATOM 405 CA LYS A 29 -7.614 1.432 5.654 1.00 0.00 C ATOM 406 C LYS A 29 -6.221 0.820 5.797 1.00 0.00 C ATOM 407 O LYS A 29 -5.409 0.888 4.897 1.00 0.00 O ATOM 408 CB LYS A 29 -8.115 1.229 4.223 1.00 0.00 C ATOM 409 CG LYS A 29 -9.001 -0.016 4.167 1.00 0.00 C ATOM 410 CD LYS A 29 -10.454 0.402 3.943 1.00 0.00 C ATOM 411 CE LYS A 29 -11.251 -0.787 3.405 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.107 -1.943 4.336 1.00 0.00 N ATOM 0 H LYS A 29 -7.121 3.467 5.228 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.306 0.950 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.677 2.104 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.271 1.119 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.672 -0.673 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.913 -0.580 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.891 0.753 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.500 1.233 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.302 -0.518 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.893 -1.059 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.822 -2.663 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.157 -2.354 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.241 -1.619 5.315 1.00 0.00 H new ATOM 426 N THR A 30 -5.931 0.232 6.926 1.00 0.00 N ATOM 427 CA THR A 30 -4.582 -0.368 7.121 1.00 0.00 C ATOM 428 C THR A 30 -4.376 -1.528 6.148 1.00 0.00 C ATOM 429 O THR A 30 -5.178 -2.436 6.061 1.00 0.00 O ATOM 430 CB THR A 30 -4.441 -0.888 8.554 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.462 0.206 9.461 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.115 -1.638 8.688 1.00 0.00 C ATOM 0 H THR A 30 -6.567 0.142 7.718 1.00 0.00 H new ATOM 0 HA THR A 30 -3.832 0.401 6.935 1.00 0.00 H new ATOM 0 HB THR A 30 -5.267 -1.561 8.783 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.748 1.016 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.009 -2.011 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.099 -2.476 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.290 -0.962 8.461 1.00 0.00 H new ATOM 440 N TYR A 31 -3.291 -1.506 5.428 1.00 0.00 N ATOM 441 CA TYR A 31 -2.998 -2.603 4.468 1.00 0.00 C ATOM 442 C TYR A 31 -1.848 -3.436 5.036 1.00 0.00 C ATOM 443 O TYR A 31 -0.767 -2.933 5.253 1.00 0.00 O ATOM 444 CB TYR A 31 -2.608 -1.994 3.122 1.00 0.00 C ATOM 445 CG TYR A 31 -3.841 -1.407 2.476 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.260 -0.118 2.820 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.566 -2.152 1.537 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.404 0.429 2.227 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.710 -1.606 0.944 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.129 -0.315 1.289 1.00 0.00 C ATOM 451 OH TYR A 31 -7.256 0.224 0.703 1.00 0.00 O ATOM 0 H TYR A 31 -2.588 -0.768 5.464 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.870 -3.240 4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.852 -1.222 3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.170 -2.755 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.701 0.456 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.242 -3.147 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.727 1.425 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.270 -2.180 0.220 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.162 1.198 0.649 1.00 0.00 H new ATOM 461 N GLY A 32 -2.095 -4.697 5.306 1.00 0.00 N ATOM 462 CA GLY A 32 -1.050 -5.585 5.902 1.00 0.00 C ATOM 463 C GLY A 32 0.344 -5.169 5.444 1.00 0.00 C ATOM 464 O GLY A 32 1.181 -4.798 6.244 1.00 0.00 O ATOM 0 H GLY A 32 -2.991 -5.153 5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.108 -5.542 6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.238 -6.619 5.614 1.00 0.00 H new ATOM 468 N ASN A 33 0.608 -5.213 4.172 1.00 0.00 N ATOM 469 CA ASN A 33 1.958 -4.801 3.702 1.00 0.00 C ATOM 470 C ASN A 33 1.841 -3.897 2.487 1.00 0.00 C ATOM 471 O ASN A 33 0.794 -3.359 2.184 1.00 0.00 O ATOM 472 CB ASN A 33 2.815 -6.021 3.354 1.00 0.00 C ATOM 473 CG ASN A 33 2.180 -6.816 2.218 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.176 -6.418 1.665 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.736 -7.936 1.843 1.00 0.00 N ATOM 0 H ASN A 33 -0.042 -5.512 3.445 1.00 0.00 H new ATOM 0 HA ASN A 33 2.442 -4.256 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.815 -5.699 3.065 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.926 -6.657 4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.326 -8.479 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.580 -8.268 2.310 1.00 0.00 H new ATOM 482 N LYS A 34 2.927 -3.711 1.809 1.00 0.00 N ATOM 483 CA LYS A 34 2.944 -2.830 0.630 1.00 0.00 C ATOM 484 C LYS A 34 2.133 -3.438 -0.521 1.00 0.00 C ATOM 485 O LYS A 34 1.612 -2.726 -1.351 1.00 0.00 O ATOM 486 CB LYS A 34 4.396 -2.656 0.215 1.00 0.00 C ATOM 487 CG LYS A 34 5.088 -4.024 0.192 1.00 0.00 C ATOM 488 CD LYS A 34 6.190 -4.026 -0.870 1.00 0.00 C ATOM 489 CE LYS A 34 5.598 -3.659 -2.233 1.00 0.00 C ATOM 490 NZ LYS A 34 6.315 -2.474 -2.783 1.00 0.00 N ATOM 0 H LYS A 34 3.823 -4.144 2.030 1.00 0.00 H new ATOM 0 HA LYS A 34 2.491 -1.869 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.451 -2.192 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.907 -1.990 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.513 -4.244 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.361 -4.807 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.970 -3.315 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.658 -5.009 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.687 -4.502 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.535 -3.440 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.913 -2.224 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.209 -1.671 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.324 -2.699 -2.893 1.00 0.00 H new ATOM 504 N CYS A 35 2.016 -4.737 -0.592 1.00 0.00 N ATOM 505 CA CYS A 35 1.227 -5.335 -1.700 1.00 0.00 C ATOM 506 C CYS A 35 -0.257 -5.104 -1.433 1.00 0.00 C ATOM 507 O CYS A 35 -1.060 -5.051 -2.342 1.00 0.00 O ATOM 508 CB CYS A 35 1.498 -6.836 -1.791 1.00 0.00 C ATOM 509 SG CYS A 35 0.343 -7.578 -2.972 1.00 0.00 S ATOM 0 H CYS A 35 2.429 -5.401 0.063 1.00 0.00 H new ATOM 0 HA CYS A 35 1.516 -4.867 -2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.526 -7.014 -2.108 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.382 -7.299 -0.811 1.00 0.00 H new ATOM 514 N ASN A 36 -0.625 -4.960 -0.191 1.00 0.00 N ATOM 515 CA ASN A 36 -2.057 -4.718 0.134 1.00 0.00 C ATOM 516 C ASN A 36 -2.361 -3.239 -0.093 1.00 0.00 C ATOM 517 O ASN A 36 -3.386 -2.879 -0.639 1.00 0.00 O ATOM 518 CB ASN A 36 -2.322 -5.082 1.597 1.00 0.00 C ATOM 519 CG ASN A 36 -2.669 -6.569 1.698 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.828 -6.933 1.736 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.707 -7.450 1.745 1.00 0.00 N ATOM 0 H ASN A 36 0.003 -4.999 0.612 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.695 -5.332 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.443 -4.861 2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.140 -4.479 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.928 -8.443 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.734 -7.145 1.713 1.00 0.00 H new ATOM 528 N PHE A 37 -1.470 -2.376 0.315 1.00 0.00 N ATOM 529 CA PHE A 37 -1.697 -0.919 0.115 1.00 0.00 C ATOM 530 C PHE A 37 -1.655 -0.606 -1.357 1.00 0.00 C ATOM 531 O PHE A 37 -2.352 0.247 -1.868 1.00 0.00 O ATOM 532 CB PHE A 37 -0.576 -0.121 0.763 1.00 0.00 C ATOM 533 CG PHE A 37 -0.906 1.328 0.604 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.112 1.851 1.061 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.007 2.129 -0.084 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.420 3.195 0.827 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.300 3.472 -0.317 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.512 4.011 0.135 1.00 0.00 C ATOM 0 H PHE A 37 -0.594 -2.619 0.778 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.661 -0.660 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.482 -0.379 1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.380 -0.350 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.808 1.221 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.923 1.711 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.356 3.604 1.178 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.406 4.096 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.746 5.049 -0.048 1.00 0.00 H new ATOM 548 N CYS A 38 -0.797 -1.285 -2.016 1.00 0.00 N ATOM 549 CA CYS A 38 -0.611 -1.057 -3.475 1.00 0.00 C ATOM 550 C CYS A 38 -1.765 -1.688 -4.244 1.00 0.00 C ATOM 551 O CYS A 38 -2.247 -1.140 -5.211 1.00 0.00 O ATOM 552 CB CYS A 38 0.710 -1.680 -3.933 1.00 0.00 C ATOM 553 SG CYS A 38 2.072 -0.528 -3.613 1.00 0.00 S ATOM 0 H CYS A 38 -0.198 -2.005 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.590 0.015 -3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.883 -2.618 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.663 -1.916 -4.996 1.00 0.00 H new ATOM 558 N ASN A 39 -2.222 -2.834 -3.823 1.00 0.00 N ATOM 559 CA ASN A 39 -3.355 -3.478 -4.537 1.00 0.00 C ATOM 560 C ASN A 39 -4.546 -2.530 -4.488 1.00 0.00 C ATOM 561 O ASN A 39 -5.346 -2.486 -5.395 1.00 0.00 O ATOM 562 CB ASN A 39 -3.717 -4.797 -3.853 1.00 0.00 C ATOM 563 CG ASN A 39 -2.717 -5.877 -4.269 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.928 -5.676 -5.170 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.716 -7.024 -3.645 1.00 0.00 N ATOM 0 H ASN A 39 -1.861 -3.349 -3.020 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.079 -3.686 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.705 -4.673 -2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.728 -5.097 -4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.053 -7.751 -3.914 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.378 -7.193 -2.888 1.00 0.00 H new ATOM 572 N ALA A 40 -4.647 -1.755 -3.439 1.00 0.00 N ATOM 573 CA ALA A 40 -5.769 -0.783 -3.322 1.00 0.00 C ATOM 574 C ALA A 40 -5.499 0.396 -4.262 1.00 0.00 C ATOM 575 O ALA A 40 -6.389 0.902 -4.917 1.00 0.00 O ATOM 576 CB ALA A 40 -5.851 -0.276 -1.881 1.00 0.00 C ATOM 0 H ALA A 40 -3.995 -1.756 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.710 -1.264 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.672 0.436 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.025 -1.116 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.915 0.214 -1.614 1.00 0.00 H new ATOM 582 N VAL A 41 -4.269 0.828 -4.335 1.00 0.00 N ATOM 583 CA VAL A 41 -3.921 1.966 -5.233 1.00 0.00 C ATOM 584 C VAL A 41 -4.181 1.557 -6.685 1.00 0.00 C ATOM 585 O VAL A 41 -4.485 2.372 -7.531 1.00 0.00 O ATOM 586 CB VAL A 41 -2.435 2.302 -5.057 1.00 0.00 C ATOM 587 CG1 VAL A 41 -2.056 3.488 -5.949 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.161 2.659 -3.593 1.00 0.00 C ATOM 0 H VAL A 41 -3.487 0.439 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.528 2.837 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.838 1.435 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.999 3.719 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.244 3.234 -6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.654 4.356 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.105 2.898 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.764 3.522 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.419 1.812 -2.957 1.00 0.00 H new ATOM 598 N VAL A 42 -4.050 0.296 -6.976 1.00 0.00 N ATOM 599 CA VAL A 42 -4.270 -0.185 -8.370 1.00 0.00 C ATOM 600 C VAL A 42 -5.755 -0.434 -8.622 1.00 0.00 C ATOM 601 O VAL A 42 -6.216 -0.412 -9.747 1.00 0.00 O ATOM 602 CB VAL A 42 -3.496 -1.485 -8.568 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.009 -1.199 -8.421 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.907 -2.499 -7.507 1.00 0.00 C ATOM 0 H VAL A 42 -3.798 -0.430 -6.305 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.922 0.573 -9.071 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.711 -1.887 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.446 -2.122 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.703 -0.470 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.812 -0.800 -7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.351 -3.425 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.689 -2.098 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.975 -2.700 -7.590 1.00 0.00 H new ATOM 614 N GLU A 43 -6.510 -0.668 -7.593 1.00 0.00 N ATOM 615 CA GLU A 43 -7.954 -0.915 -7.774 1.00 0.00 C ATOM 616 C GLU A 43 -8.707 0.411 -7.687 1.00 0.00 C ATOM 617 O GLU A 43 -9.887 0.488 -7.969 1.00 0.00 O ATOM 618 CB GLU A 43 -8.448 -1.839 -6.666 1.00 0.00 C ATOM 619 CG GLU A 43 -7.997 -1.346 -5.319 1.00 0.00 C ATOM 620 CD GLU A 43 -8.605 -2.247 -4.238 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.243 -3.411 -4.192 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.422 -1.756 -3.476 1.00 0.00 O ATOM 0 H GLU A 43 -6.183 -0.698 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.127 -1.376 -8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.536 -1.896 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.072 -2.848 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.909 -1.361 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.311 -0.313 -5.170 1.00 0.00 H new ATOM 629 N SER A 44 -8.039 1.453 -7.277 1.00 0.00 N ATOM 630 CA SER A 44 -8.725 2.770 -7.152 1.00 0.00 C ATOM 631 C SER A 44 -8.261 3.719 -8.257 1.00 0.00 C ATOM 632 O SER A 44 -8.142 4.910 -8.049 1.00 0.00 O ATOM 633 CB SER A 44 -8.395 3.382 -5.790 1.00 0.00 C ATOM 634 OG SER A 44 -8.754 4.757 -5.795 1.00 0.00 O ATOM 0 H SER A 44 -7.051 1.450 -7.024 1.00 0.00 H new ATOM 0 HA SER A 44 -9.801 2.619 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.934 2.856 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.332 3.272 -5.577 1.00 0.00 H new ATOM 0 HG SER A 44 -9.190 4.978 -6.645 1.00 0.00 H new ATOM 640 N ASN A 45 -8.002 3.214 -9.432 1.00 0.00 N ATOM 641 CA ASN A 45 -7.554 4.116 -10.530 1.00 0.00 C ATOM 642 C ASN A 45 -6.328 4.906 -10.032 1.00 0.00 C ATOM 643 O ASN A 45 -6.109 6.054 -10.356 1.00 0.00 O ATOM 644 CB ASN A 45 -8.741 5.023 -10.916 1.00 0.00 C ATOM 645 CG ASN A 45 -8.275 6.349 -11.522 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.923 7.444 -11.236 1.00 0.00 O flip ATOM 647 ND2 ASN A 45 -7.325 6.386 -12.279 1.00 0.00 N flip ATOM 0 H ASN A 45 -8.080 2.227 -9.678 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.251 3.570 -11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.378 4.502 -11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -9.348 5.221 -10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.818 5.530 -12.503 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.035 7.273 -12.690 1.00 0.00 H new ATOM 654 N GLY A 46 -5.516 4.258 -9.242 1.00 0.00 N ATOM 655 CA GLY A 46 -4.285 4.903 -8.699 1.00 0.00 C ATOM 656 C GLY A 46 -4.569 6.332 -8.245 1.00 0.00 C ATOM 657 O GLY A 46 -3.756 7.221 -8.408 1.00 0.00 O ATOM 0 H GLY A 46 -5.656 3.292 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.905 4.320 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.507 4.908 -9.462 1.00 0.00 H new ATOM 661 N THR A 47 -5.701 6.554 -7.645 1.00 0.00 N ATOM 662 CA THR A 47 -6.022 7.917 -7.141 1.00 0.00 C ATOM 663 C THR A 47 -6.073 7.870 -5.614 1.00 0.00 C ATOM 664 O THR A 47 -6.348 8.855 -4.957 1.00 0.00 O ATOM 665 CB THR A 47 -7.370 8.368 -7.700 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.410 7.590 -7.122 1.00 0.00 O ATOM 667 CG2 THR A 47 -7.366 8.177 -9.214 1.00 0.00 C ATOM 0 H THR A 47 -6.420 5.850 -7.481 1.00 0.00 H new ATOM 0 HA THR A 47 -5.259 8.627 -7.462 1.00 0.00 H new ATOM 0 HB THR A 47 -7.537 9.418 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.354 6.670 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.324 8.496 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.567 8.773 -9.654 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.204 7.125 -9.448 1.00 0.00 H new ATOM 675 N LEU A 48 -5.799 6.724 -5.048 1.00 0.00 N ATOM 676 CA LEU A 48 -5.815 6.584 -3.579 1.00 0.00 C ATOM 677 C LEU A 48 -4.522 7.156 -3.009 1.00 0.00 C ATOM 678 O LEU A 48 -3.441 6.915 -3.510 1.00 0.00 O ATOM 679 CB LEU A 48 -5.922 5.084 -3.242 1.00 0.00 C ATOM 680 CG LEU A 48 -5.254 4.753 -1.893 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.273 4.910 -0.776 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.744 3.310 -1.923 1.00 0.00 C ATOM 0 H LEU A 48 -5.562 5.872 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.659 7.122 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.972 4.792 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.453 4.499 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.418 5.431 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.804 4.677 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.639 5.936 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.107 4.230 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.271 3.072 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.580 2.632 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.017 3.198 -2.728 1.00 0.00 H new ATOM 694 N THR A 49 -4.628 7.869 -1.935 1.00 0.00 N ATOM 695 CA THR A 49 -3.421 8.418 -1.277 1.00 0.00 C ATOM 696 C THR A 49 -3.392 7.823 0.122 1.00 0.00 C ATOM 697 O THR A 49 -4.388 7.319 0.595 1.00 0.00 O ATOM 698 CB THR A 49 -3.506 9.947 -1.197 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.028 10.324 0.070 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.424 10.475 -2.303 1.00 0.00 C ATOM 0 H THR A 49 -5.510 8.099 -1.478 1.00 0.00 H new ATOM 0 HA THR A 49 -2.519 8.169 -1.836 1.00 0.00 H new ATOM 0 HB THR A 49 -2.510 10.370 -1.325 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.082 11.301 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.480 11.562 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.025 10.187 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.421 10.052 -2.181 1.00 0.00 H new ATOM 708 N LEU A 50 -2.287 7.836 0.792 1.00 0.00 N ATOM 709 CA LEU A 50 -2.283 7.232 2.135 1.00 0.00 C ATOM 710 C LEU A 50 -2.233 8.335 3.191 1.00 0.00 C ATOM 711 O LEU A 50 -2.282 9.507 2.878 1.00 0.00 O ATOM 712 CB LEU A 50 -1.104 6.246 2.220 1.00 0.00 C ATOM 713 CG LEU A 50 0.084 6.782 3.024 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.546 5.674 3.958 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.224 7.146 2.070 1.00 0.00 C ATOM 0 H LEU A 50 -1.402 8.231 0.475 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.196 6.668 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.450 5.317 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.770 6.004 1.211 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.204 7.669 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.394 6.024 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.270 5.397 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.846 4.805 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.070 7.528 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.532 6.259 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.884 7.911 1.372 1.00 0.00 H new ATOM 727 N SER A 51 -2.149 7.976 4.437 1.00 0.00 N ATOM 728 CA SER A 51 -2.113 9.006 5.496 1.00 0.00 C ATOM 729 C SER A 51 -0.817 8.854 6.292 1.00 0.00 C ATOM 730 O SER A 51 -0.343 9.788 6.907 1.00 0.00 O ATOM 731 CB SER A 51 -3.316 8.833 6.429 1.00 0.00 C ATOM 732 OG SER A 51 -4.151 9.978 6.343 1.00 0.00 O ATOM 0 H SER A 51 -2.104 7.011 4.765 1.00 0.00 H new ATOM 0 HA SER A 51 -2.155 9.998 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.877 7.939 6.155 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.977 8.694 7.455 1.00 0.00 H new ATOM 0 HG SER A 51 -4.921 9.867 6.938 1.00 0.00 H new ATOM 738 N HIS A 52 -0.236 7.683 6.283 1.00 0.00 N ATOM 739 CA HIS A 52 1.029 7.477 7.038 1.00 0.00 C ATOM 740 C HIS A 52 1.461 6.012 6.941 1.00 0.00 C ATOM 741 O HIS A 52 0.652 5.104 7.017 1.00 0.00 O ATOM 742 CB HIS A 52 0.798 7.827 8.506 1.00 0.00 C ATOM 743 CG HIS A 52 -0.266 6.923 9.063 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.192 6.402 10.344 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.432 6.434 8.525 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.283 5.640 10.534 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.072 5.628 9.459 1.00 0.00 N ATOM 0 H HIS A 52 -0.584 6.863 5.786 1.00 0.00 H new ATOM 0 HA HIS A 52 1.806 8.114 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.723 7.712 9.071 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.494 8.869 8.601 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.554 6.566 11.020 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.795 6.644 7.530 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.495 5.103 11.447 1.00 0.00 H new ATOM 755 N PHE A 53 2.735 5.774 6.791 1.00 0.00 N ATOM 756 CA PHE A 53 3.219 4.371 6.708 1.00 0.00 C ATOM 757 C PHE A 53 3.124 3.731 8.091 1.00 0.00 C ATOM 758 O PHE A 53 3.849 4.080 9.002 1.00 0.00 O ATOM 759 CB PHE A 53 4.676 4.345 6.257 1.00 0.00 C ATOM 760 CG PHE A 53 4.768 4.657 4.783 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.429 5.932 4.313 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.203 3.674 3.887 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.523 6.221 2.947 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.299 3.963 2.522 1.00 0.00 C ATOM 765 CZ PHE A 53 4.959 5.236 2.051 1.00 0.00 C ATOM 0 H PHE A 53 3.459 6.490 6.723 1.00 0.00 H new ATOM 0 HA PHE A 53 2.608 3.824 5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.254 5.072 6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.109 3.365 6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.095 6.692 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.465 2.691 4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.259 7.203 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.636 3.204 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.033 5.459 0.997 1.00 0.00 H new ATOM 775 N GLY A 54 2.230 2.805 8.255 1.00 0.00 N ATOM 776 CA GLY A 54 2.065 2.141 9.565 1.00 0.00 C ATOM 777 C GLY A 54 0.587 1.818 9.756 1.00 0.00 C ATOM 778 O GLY A 54 -0.233 2.065 8.894 1.00 0.00 O ATOM 0 H GLY A 54 1.598 2.477 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.661 1.229 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.418 2.790 10.367 1.00 0.00 H new ATOM 782 N LYS A 55 0.240 1.302 10.887 1.00 0.00 N ATOM 783 CA LYS A 55 -1.196 0.999 11.157 1.00 0.00 C ATOM 784 C LYS A 55 -1.861 2.273 11.685 1.00 0.00 C ATOM 785 O LYS A 55 -1.229 3.092 12.322 1.00 0.00 O ATOM 786 CB LYS A 55 -1.349 -0.126 12.197 1.00 0.00 C ATOM 787 CG LYS A 55 -0.024 -0.396 12.916 1.00 0.00 C ATOM 788 CD LYS A 55 -0.281 -1.282 14.138 1.00 0.00 C ATOM 789 CE LYS A 55 -0.014 -2.745 13.779 1.00 0.00 C ATOM 790 NZ LYS A 55 -0.801 -3.629 14.685 1.00 0.00 N ATOM 0 H LYS A 55 0.883 1.073 11.645 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.668 0.664 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.112 0.149 12.925 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.691 -1.036 11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.677 -0.885 12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.434 0.544 13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.363 -0.976 14.963 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.310 -1.162 14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.289 -2.932 12.741 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.049 -2.965 13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.620 -4.624 14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.518 -3.456 15.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.815 -3.424 14.575 1.00 0.00 H new ATOM 804 N CYS A 56 -3.126 2.455 11.424 1.00 0.00 N ATOM 805 CA CYS A 56 -3.813 3.686 11.909 1.00 0.00 C ATOM 806 C CYS A 56 -3.846 3.683 13.438 1.00 0.00 C ATOM 807 O CYS A 56 -3.899 4.759 14.012 1.00 0.00 O ATOM 808 CB CYS A 56 -5.243 3.726 11.368 1.00 0.00 C ATOM 809 SG CYS A 56 -5.210 4.247 9.637 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.816 2.606 14.009 1.00 0.00 O ATOM 0 H CYS A 56 -3.712 1.807 10.898 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.270 4.564 11.558 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.705 2.743 11.455 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.848 4.416 11.956 1.00 0.00 H new TER 815 CYS A 56