USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 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 180:sc= 0.771 USER MOD Set 1.2: A 47 THR OG1 : rot -43:sc= 1.18 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.184 K(o=-0.039,f=-5.9!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.146 X(o=-0.039,f=-0.53) USER MOD Set 3.1: A 11 TYR OH : rot 30:sc= -0.491 USER MOD Set 3.2: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -145:sc= 0.0406 (180deg=0) USER MOD Single : A 5 SER OG : rot 20:sc= 1.06 USER MOD Single : A 9 SER OG : rot 2:sc= 0.587 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.479 USER MOD Single : A 26 SER OG : rot -30:sc= 0.0178 USER MOD Single : A 28 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.6!) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -1.13 (180deg=-3.05!) USER MOD Single : A 30 THR OG1 : rot 5:sc= 0.427 USER MOD Single : A 31 TYR OH : rot 30:sc= -2.36! USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -2.16 (180deg=-2.47) USER MOD Single : A 39 ASN : amide:sc= -5.36! C(o=-5.4!,f=-14!) USER MOD Single : A 45 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.0038) USER MOD Single : A 49 THR OG1 : rot 18:sc= -1.32! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -13.6! C(o=-14!,f=-16!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.861 13.453 6.240 1.00 0.00 N ATOM 2 CA LEU A 1 14.856 13.860 5.217 1.00 0.00 C ATOM 3 C LEU A 1 13.492 13.266 5.578 1.00 0.00 C ATOM 4 O LEU A 1 13.192 13.031 6.732 1.00 0.00 O ATOM 5 CB LEU A 1 15.289 13.346 3.841 1.00 0.00 C ATOM 6 CG LEU A 1 15.116 14.456 2.803 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.478 15.073 2.480 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.510 13.868 1.527 1.00 0.00 C ATOM 0 H1 LEU A 1 16.542 14.226 6.384 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.378 13.245 7.137 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.365 12.604 5.913 1.00 0.00 H new ATOM 0 HA LEU A 1 14.784 14.947 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 1 16.329 13.023 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.693 12.477 3.562 1.00 0.00 H new ATOM 0 HG LEU A 1 14.455 15.225 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.353 15.864 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.913 15.491 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.140 14.305 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.386 14.658 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.173 13.099 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.539 13.428 1.755 1.00 0.00 H new ATOM 22 N ALA A 2 12.663 13.022 4.600 1.00 0.00 N ATOM 23 CA ALA A 2 11.319 12.445 4.887 1.00 0.00 C ATOM 24 C ALA A 2 10.556 12.254 3.575 1.00 0.00 C ATOM 25 O ALA A 2 10.343 13.188 2.828 1.00 0.00 O ATOM 26 CB ALA A 2 10.540 13.396 5.797 1.00 0.00 C ATOM 0 H ALA A 2 12.858 13.197 3.614 1.00 0.00 H new ATOM 0 HA ALA A 2 11.435 11.481 5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.557 12.975 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.084 13.532 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.423 14.360 5.301 1.00 0.00 H new ATOM 32 N ALA A 3 10.140 11.051 3.288 1.00 0.00 N ATOM 33 CA ALA A 3 9.390 10.800 2.025 1.00 0.00 C ATOM 34 C ALA A 3 8.108 10.027 2.337 1.00 0.00 C ATOM 35 O ALA A 3 8.067 9.210 3.238 1.00 0.00 O ATOM 36 CB ALA A 3 10.262 9.982 1.070 1.00 0.00 C ATOM 0 H ALA A 3 10.287 10.230 3.875 1.00 0.00 H new ATOM 0 HA ALA A 3 9.134 11.751 1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.715 9.797 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.175 10.534 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.518 9.031 1.536 1.00 0.00 H new ATOM 42 N VAL A 4 7.058 10.276 1.603 1.00 0.00 N ATOM 43 CA VAL A 4 5.780 9.554 1.860 1.00 0.00 C ATOM 44 C VAL A 4 5.121 9.194 0.527 1.00 0.00 C ATOM 45 O VAL A 4 4.155 9.806 0.116 1.00 0.00 O ATOM 46 CB VAL A 4 4.840 10.452 2.667 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.733 9.601 3.292 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.632 11.152 3.773 1.00 0.00 C ATOM 0 H VAL A 4 7.030 10.948 0.836 1.00 0.00 H new ATOM 0 HA VAL A 4 5.984 8.643 2.423 1.00 0.00 H new ATOM 0 HB VAL A 4 4.395 11.199 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.063 10.240 3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.170 9.101 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.176 8.854 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.964 11.792 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.076 10.405 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.421 11.758 3.328 1.00 0.00 H new ATOM 58 N SER A 5 5.636 8.207 -0.152 1.00 0.00 N ATOM 59 CA SER A 5 5.040 7.809 -1.458 1.00 0.00 C ATOM 60 C SER A 5 5.580 6.436 -1.866 1.00 0.00 C ATOM 61 O SER A 5 6.721 6.300 -2.260 1.00 0.00 O ATOM 62 CB SER A 5 5.414 8.842 -2.521 1.00 0.00 C ATOM 63 OG SER A 5 6.826 8.855 -2.686 1.00 0.00 O ATOM 0 H SER A 5 6.444 7.658 0.141 1.00 0.00 H new ATOM 0 HA SER A 5 3.955 7.759 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.928 8.601 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.062 9.830 -2.225 1.00 0.00 H new ATOM 0 HG SER A 5 7.203 8.016 -2.348 1.00 0.00 H new ATOM 69 N VAL A 6 4.770 5.416 -1.771 1.00 0.00 N ATOM 70 CA VAL A 6 5.239 4.052 -2.150 1.00 0.00 C ATOM 71 C VAL A 6 4.950 3.801 -3.632 1.00 0.00 C ATOM 72 O VAL A 6 3.923 4.195 -4.150 1.00 0.00 O ATOM 73 CB VAL A 6 4.503 3.008 -1.307 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.312 1.712 -1.278 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.330 3.530 0.123 1.00 0.00 C ATOM 0 H VAL A 6 3.804 5.468 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 6 6.312 3.977 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 6 3.523 2.817 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.787 0.969 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.434 1.337 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.292 1.905 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.806 2.785 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.309 3.723 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.752 4.454 0.106 1.00 0.00 H new ATOM 85 N ASP A 7 5.846 3.142 -4.319 1.00 0.00 N ATOM 86 CA ASP A 7 5.618 2.859 -5.765 1.00 0.00 C ATOM 87 C ASP A 7 4.691 1.649 -5.900 1.00 0.00 C ATOM 88 O ASP A 7 4.889 0.633 -5.264 1.00 0.00 O ATOM 89 CB ASP A 7 6.956 2.557 -6.444 1.00 0.00 C ATOM 90 CG ASP A 7 6.703 1.983 -7.840 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.136 0.906 -7.923 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.082 2.630 -8.802 1.00 0.00 O ATOM 0 H ASP A 7 6.725 2.788 -3.941 1.00 0.00 H new ATOM 0 HA ASP A 7 5.160 3.726 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.553 3.466 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.527 1.847 -5.846 1.00 0.00 H new ATOM 97 N CYS A 8 3.675 1.751 -6.712 1.00 0.00 N ATOM 98 CA CYS A 8 2.737 0.609 -6.869 1.00 0.00 C ATOM 99 C CYS A 8 2.354 0.448 -8.342 1.00 0.00 C ATOM 100 O CYS A 8 1.192 0.346 -8.684 1.00 0.00 O ATOM 101 CB CYS A 8 1.485 0.888 -6.043 1.00 0.00 C ATOM 102 SG CYS A 8 1.968 1.264 -4.340 1.00 0.00 S ATOM 0 H CYS A 8 3.456 2.575 -7.272 1.00 0.00 H new ATOM 0 HA CYS A 8 3.214 -0.309 -6.527 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.932 1.725 -6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.821 0.024 -6.063 1.00 0.00 H new ATOM 107 N SER A 9 3.320 0.424 -9.219 1.00 0.00 N ATOM 108 CA SER A 9 3.009 0.268 -10.669 1.00 0.00 C ATOM 109 C SER A 9 3.011 -1.217 -11.040 1.00 0.00 C ATOM 110 O SER A 9 2.615 -1.596 -12.124 1.00 0.00 O ATOM 111 CB SER A 9 4.064 1.002 -11.497 1.00 0.00 C ATOM 112 OG SER A 9 3.961 0.597 -12.856 1.00 0.00 O ATOM 0 H SER A 9 4.312 0.506 -8.994 1.00 0.00 H new ATOM 0 HA SER A 9 2.025 0.689 -10.875 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.922 2.080 -11.415 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.061 0.782 -11.115 1.00 0.00 H new ATOM 0 HG SER A 9 3.219 -0.036 -12.953 1.00 0.00 H new ATOM 118 N GLU A 10 3.464 -2.057 -10.152 1.00 0.00 N ATOM 119 CA GLU A 10 3.503 -3.516 -10.454 1.00 0.00 C ATOM 120 C GLU A 10 2.303 -4.214 -9.811 1.00 0.00 C ATOM 121 O GLU A 10 2.332 -5.400 -9.547 1.00 0.00 O ATOM 122 CB GLU A 10 4.796 -4.106 -9.889 1.00 0.00 C ATOM 123 CG GLU A 10 5.927 -3.081 -10.009 1.00 0.00 C ATOM 124 CD GLU A 10 5.900 -2.438 -11.398 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.563 -3.131 -12.343 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.214 -1.263 -11.490 1.00 0.00 O ATOM 0 H GLU A 10 3.810 -1.796 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 10 3.465 -3.665 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.654 -4.385 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.058 -5.016 -10.429 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.818 -2.315 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.889 -3.566 -9.841 1.00 0.00 H new ATOM 133 N TYR A 11 1.248 -3.493 -9.553 1.00 0.00 N ATOM 134 CA TYR A 11 0.061 -4.103 -8.931 1.00 0.00 C ATOM 135 C TYR A 11 -1.121 -3.978 -9.913 1.00 0.00 C ATOM 136 O TYR A 11 -1.079 -3.176 -10.824 1.00 0.00 O ATOM 137 CB TYR A 11 -0.196 -3.373 -7.610 1.00 0.00 C ATOM 138 CG TYR A 11 1.074 -3.440 -6.783 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.125 -2.552 -7.044 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.209 -4.399 -5.767 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.305 -2.619 -6.292 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.393 -4.466 -5.017 1.00 0.00 C ATOM 143 CZ TYR A 11 3.439 -3.576 -5.280 1.00 0.00 C ATOM 144 OH TYR A 11 4.603 -3.642 -4.543 1.00 0.00 O ATOM 0 H TYR A 11 1.166 -2.496 -9.752 1.00 0.00 H new ATOM 0 HA TYR A 11 0.201 -5.163 -8.717 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.476 -2.336 -7.796 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.025 -3.835 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.026 -1.814 -7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.401 -5.086 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.113 -1.931 -6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.496 -5.205 -4.236 1.00 0.00 H new ATOM 0 HH TYR A 11 5.004 -2.750 -4.485 1.00 0.00 H new ATOM 154 N PRO A 12 -2.105 -4.822 -9.736 1.00 0.00 N ATOM 155 CA PRO A 12 -2.136 -5.785 -8.627 1.00 0.00 C ATOM 156 C PRO A 12 -1.126 -6.920 -8.824 1.00 0.00 C ATOM 157 O PRO A 12 -0.597 -7.128 -9.898 1.00 0.00 O ATOM 158 CB PRO A 12 -3.569 -6.327 -8.653 1.00 0.00 C ATOM 159 CG PRO A 12 -4.091 -6.088 -10.090 1.00 0.00 C ATOM 160 CD PRO A 12 -3.257 -4.927 -10.659 1.00 0.00 C ATOM 0 HA PRO A 12 -1.867 -5.322 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.589 -7.388 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.193 -5.814 -7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.978 -6.984 -10.700 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.152 -5.839 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.933 -5.132 -11.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.831 -4.001 -10.687 1.00 0.00 H new ATOM 168 N LYS A 13 -0.858 -7.647 -7.773 1.00 0.00 N ATOM 169 CA LYS A 13 0.118 -8.770 -7.847 1.00 0.00 C ATOM 170 C LYS A 13 -0.594 -10.077 -7.480 1.00 0.00 C ATOM 171 O LYS A 13 -1.492 -10.077 -6.661 1.00 0.00 O ATOM 172 CB LYS A 13 1.238 -8.507 -6.842 1.00 0.00 C ATOM 173 CG LYS A 13 2.580 -8.424 -7.568 1.00 0.00 C ATOM 174 CD LYS A 13 3.709 -8.383 -6.537 1.00 0.00 C ATOM 175 CE LYS A 13 4.033 -6.928 -6.195 1.00 0.00 C ATOM 176 NZ LYS A 13 5.505 -6.777 -6.022 1.00 0.00 N ATOM 0 H LYS A 13 -1.280 -7.508 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 13 0.529 -8.848 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.047 -7.577 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.266 -9.304 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.704 -9.284 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.613 -7.534 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.414 -8.923 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.595 -8.881 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.679 -6.269 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.516 -6.634 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.728 -5.788 -5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.829 -7.395 -5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.987 -7.042 -6.905 1.00 0.00 H new ATOM 190 N PRO A 14 -0.172 -11.158 -8.095 1.00 0.00 N ATOM 191 CA PRO A 14 -0.757 -12.492 -7.847 1.00 0.00 C ATOM 192 C PRO A 14 -0.221 -13.090 -6.543 1.00 0.00 C ATOM 193 O PRO A 14 -0.381 -14.264 -6.274 1.00 0.00 O ATOM 194 CB PRO A 14 -0.298 -13.311 -9.055 1.00 0.00 C ATOM 195 CG PRO A 14 0.955 -12.599 -9.614 1.00 0.00 C ATOM 196 CD PRO A 14 0.909 -11.149 -9.106 1.00 0.00 C ATOM 0 HA PRO A 14 -1.841 -12.468 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.065 -14.335 -8.764 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.083 -13.364 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.864 -13.097 -9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.961 -12.626 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.861 -10.849 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.694 -10.450 -9.914 1.00 0.00 H new ATOM 204 N ALA A 15 0.407 -12.288 -5.737 1.00 0.00 N ATOM 205 CA ALA A 15 0.957 -12.788 -4.447 1.00 0.00 C ATOM 206 C ALA A 15 1.524 -11.605 -3.660 1.00 0.00 C ATOM 207 O ALA A 15 1.963 -10.626 -4.230 1.00 0.00 O ATOM 208 CB ALA A 15 2.069 -13.803 -4.719 1.00 0.00 C ATOM 0 H ALA A 15 0.566 -11.297 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 15 0.167 -13.272 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.469 -14.167 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.666 -14.641 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.865 -13.326 -5.290 1.00 0.00 H new ATOM 214 N CYS A 16 1.518 -11.678 -2.357 1.00 0.00 N ATOM 215 CA CYS A 16 2.058 -10.544 -1.554 1.00 0.00 C ATOM 216 C CYS A 16 3.226 -11.021 -0.696 1.00 0.00 C ATOM 217 O CYS A 16 3.186 -12.083 -0.105 1.00 0.00 O ATOM 218 CB CYS A 16 0.957 -9.982 -0.650 1.00 0.00 C ATOM 219 SG CYS A 16 -0.385 -9.349 -1.679 1.00 0.00 S ATOM 0 H CYS A 16 1.165 -12.468 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 16 2.406 -9.764 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.585 -10.759 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.356 -9.186 -0.021 1.00 0.00 H new ATOM 224 N THR A 17 4.264 -10.237 -0.614 1.00 0.00 N ATOM 225 CA THR A 17 5.433 -10.636 0.216 1.00 0.00 C ATOM 226 C THR A 17 4.949 -10.955 1.626 1.00 0.00 C ATOM 227 O THR A 17 3.762 -11.000 1.888 1.00 0.00 O ATOM 228 CB THR A 17 6.437 -9.481 0.277 1.00 0.00 C ATOM 229 OG1 THR A 17 5.757 -8.284 0.627 1.00 0.00 O ATOM 230 CG2 THR A 17 7.107 -9.310 -1.086 1.00 0.00 C ATOM 0 H THR A 17 4.353 -9.337 -1.086 1.00 0.00 H new ATOM 0 HA THR A 17 5.914 -11.511 -0.222 1.00 0.00 H new ATOM 0 HB THR A 17 7.198 -9.700 1.026 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.398 -7.544 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.821 -8.488 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.629 -10.229 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.350 -9.091 -1.839 1.00 0.00 H new ATOM 238 N LEU A 18 5.849 -11.170 2.540 1.00 0.00 N ATOM 239 CA LEU A 18 5.421 -11.475 3.930 1.00 0.00 C ATOM 240 C LEU A 18 5.970 -10.407 4.875 1.00 0.00 C ATOM 241 O LEU A 18 5.438 -10.184 5.945 1.00 0.00 O ATOM 242 CB LEU A 18 5.948 -12.852 4.343 1.00 0.00 C ATOM 243 CG LEU A 18 7.322 -13.084 3.717 1.00 0.00 C ATOM 244 CD1 LEU A 18 8.092 -14.118 4.541 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.149 -13.603 2.287 1.00 0.00 C ATOM 0 H LEU A 18 6.857 -11.148 2.387 1.00 0.00 H new ATOM 0 HA LEU A 18 4.332 -11.480 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.017 -12.916 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.255 -13.629 4.021 1.00 0.00 H new ATOM 0 HG LEU A 18 7.876 -12.145 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.072 -14.283 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.215 -13.752 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.538 -15.056 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.129 -13.769 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.595 -14.541 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.600 -12.869 1.697 1.00 0.00 H new ATOM 257 N GLU A 19 7.019 -9.732 4.491 1.00 0.00 N ATOM 258 CA GLU A 19 7.570 -8.676 5.372 1.00 0.00 C ATOM 259 C GLU A 19 6.417 -7.774 5.792 1.00 0.00 C ATOM 260 O GLU A 19 5.751 -7.172 4.974 1.00 0.00 O ATOM 261 CB GLU A 19 8.637 -7.868 4.626 1.00 0.00 C ATOM 262 CG GLU A 19 8.019 -7.158 3.419 1.00 0.00 C ATOM 263 CD GLU A 19 8.755 -7.583 2.146 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.961 -8.772 1.974 1.00 0.00 O ATOM 265 OE2 GLU A 19 9.100 -6.711 1.366 1.00 0.00 O ATOM 0 H GLU A 19 7.513 -9.868 3.609 1.00 0.00 H new ATOM 0 HA GLU A 19 8.041 -9.119 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.084 -7.135 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.439 -8.529 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.961 -7.406 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.084 -6.077 3.546 1.00 0.00 H new ATOM 272 N TYR A 20 6.148 -7.703 7.057 1.00 0.00 N ATOM 273 CA TYR A 20 5.006 -6.868 7.509 1.00 0.00 C ATOM 274 C TYR A 20 5.393 -5.396 7.519 1.00 0.00 C ATOM 275 O TYR A 20 6.367 -4.981 8.113 1.00 0.00 O ATOM 276 CB TYR A 20 4.550 -7.284 8.903 1.00 0.00 C ATOM 277 CG TYR A 20 3.254 -6.579 9.232 1.00 0.00 C ATOM 278 CD1 TYR A 20 2.227 -6.515 8.278 1.00 0.00 C ATOM 279 CD2 TYR A 20 3.078 -5.988 10.489 1.00 0.00 C ATOM 280 CE1 TYR A 20 1.026 -5.860 8.582 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.877 -5.333 10.791 1.00 0.00 C ATOM 282 CZ TYR A 20 0.853 -5.269 9.839 1.00 0.00 C ATOM 283 OH TYR A 20 -0.328 -4.622 10.139 1.00 0.00 O ATOM 0 H TYR A 20 6.663 -8.182 7.796 1.00 0.00 H new ATOM 0 HA TYR A 20 4.184 -7.018 6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.412 -8.364 8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.313 -7.031 9.639 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.362 -6.971 7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.867 -6.037 11.225 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.235 -5.811 7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.741 -4.877 11.760 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.285 -4.269 11.052 1.00 0.00 H new ATOM 293 N ARG A 21 4.599 -4.621 6.856 1.00 0.00 N ATOM 294 CA ARG A 21 4.823 -3.154 6.771 1.00 0.00 C ATOM 295 C ARG A 21 3.491 -2.535 6.359 1.00 0.00 C ATOM 296 O ARG A 21 3.285 -2.223 5.204 1.00 0.00 O ATOM 297 CB ARG A 21 5.890 -2.854 5.717 1.00 0.00 C ATOM 298 CG ARG A 21 5.718 -3.806 4.533 1.00 0.00 C ATOM 299 CD ARG A 21 6.556 -3.308 3.356 1.00 0.00 C ATOM 300 NE ARG A 21 6.308 -1.853 3.156 1.00 0.00 N ATOM 301 CZ ARG A 21 7.219 -1.103 2.599 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.257 -1.651 2.028 1.00 0.00 N ATOM 303 NH2 ARG A 21 7.092 0.195 2.613 1.00 0.00 N ATOM 0 H ARG A 21 3.776 -4.950 6.351 1.00 0.00 H new ATOM 0 HA ARG A 21 5.167 -2.748 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.805 -1.820 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.885 -2.968 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.027 -4.813 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.668 -3.863 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.614 -3.485 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.299 -3.860 2.452 1.00 0.00 H new ATOM 0 HE ARG A 21 5.424 -1.442 3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.356 -2.666 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.969 -1.064 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.281 0.623 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.804 0.782 2.178 1.00 0.00 H new ATOM 317 N PRO A 22 2.609 -2.425 7.316 1.00 0.00 N ATOM 318 CA PRO A 22 1.247 -1.913 7.088 1.00 0.00 C ATOM 319 C PRO A 22 1.227 -0.447 6.685 1.00 0.00 C ATOM 320 O PRO A 22 1.787 0.396 7.345 1.00 0.00 O ATOM 321 CB PRO A 22 0.542 -2.134 8.433 1.00 0.00 C ATOM 322 CG PRO A 22 1.659 -2.270 9.489 1.00 0.00 C ATOM 323 CD PRO A 22 2.903 -2.757 8.727 1.00 0.00 C ATOM 0 HA PRO A 22 0.758 -2.424 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.117 -1.298 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.078 -3.030 8.405 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.850 -1.316 9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.376 -2.978 10.268 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.806 -2.256 9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.060 -3.827 8.861 1.00 0.00 H new ATOM 331 N LEU A 23 0.566 -0.141 5.601 1.00 0.00 N ATOM 332 CA LEU A 23 0.480 1.268 5.158 1.00 0.00 C ATOM 333 C LEU A 23 -0.991 1.679 5.205 1.00 0.00 C ATOM 334 O LEU A 23 -1.860 0.938 4.781 1.00 0.00 O ATOM 335 CB LEU A 23 1.016 1.383 3.732 1.00 0.00 C ATOM 336 CG LEU A 23 2.263 0.505 3.587 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.195 -0.275 2.279 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.507 1.387 3.586 1.00 0.00 C ATOM 0 H LEU A 23 0.082 -0.813 5.005 1.00 0.00 H new ATOM 0 HA LEU A 23 1.072 1.918 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.253 1.072 3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.260 2.421 3.506 1.00 0.00 H new ATOM 0 HG LEU A 23 2.310 -0.194 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.084 -0.898 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.307 -0.907 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.145 0.422 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.395 0.763 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.456 2.087 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.560 1.942 4.523 1.00 0.00 H new ATOM 350 N CYS A 24 -1.291 2.835 5.726 1.00 0.00 N ATOM 351 CA CYS A 24 -2.723 3.248 5.793 1.00 0.00 C ATOM 352 C CYS A 24 -3.075 4.066 4.550 1.00 0.00 C ATOM 353 O CYS A 24 -2.215 4.556 3.847 1.00 0.00 O ATOM 354 CB CYS A 24 -2.994 4.069 7.059 1.00 0.00 C ATOM 355 SG CYS A 24 -4.784 4.245 7.276 1.00 0.00 S ATOM 0 H CYS A 24 -0.620 3.504 6.103 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.346 2.354 5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.556 3.577 7.928 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.526 5.050 6.979 1.00 0.00 H new ATOM 360 N GLY A 25 -4.340 4.187 4.264 1.00 0.00 N ATOM 361 CA GLY A 25 -4.777 4.936 3.055 1.00 0.00 C ATOM 362 C GLY A 25 -5.616 6.146 3.436 1.00 0.00 C ATOM 363 O GLY A 25 -6.042 6.296 4.563 1.00 0.00 O ATOM 0 H GLY A 25 -5.098 3.795 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.904 5.259 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.355 4.279 2.405 1.00 0.00 H new ATOM 367 N SER A 26 -5.859 7.012 2.492 1.00 0.00 N ATOM 368 CA SER A 26 -6.682 8.216 2.787 1.00 0.00 C ATOM 369 C SER A 26 -8.126 7.774 3.027 1.00 0.00 C ATOM 370 O SER A 26 -8.920 8.490 3.604 1.00 0.00 O ATOM 371 CB SER A 26 -6.625 9.185 1.603 1.00 0.00 C ATOM 372 OG SER A 26 -7.362 10.358 1.923 1.00 0.00 O ATOM 0 H SER A 26 -5.524 6.938 1.531 1.00 0.00 H new ATOM 0 HA SER A 26 -6.297 8.722 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.590 9.442 1.377 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.038 8.713 0.711 1.00 0.00 H new ATOM 0 HG SER A 26 -8.091 10.129 2.537 1.00 0.00 H new ATOM 378 N ASP A 27 -8.466 6.587 2.598 1.00 0.00 N ATOM 379 CA ASP A 27 -9.851 6.082 2.812 1.00 0.00 C ATOM 380 C ASP A 27 -10.024 5.705 4.287 1.00 0.00 C ATOM 381 O ASP A 27 -11.113 5.406 4.736 1.00 0.00 O ATOM 382 CB ASP A 27 -10.090 4.851 1.935 1.00 0.00 C ATOM 383 CG ASP A 27 -8.983 3.825 2.183 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.124 4.099 3.006 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.013 2.785 1.546 1.00 0.00 O ATOM 0 H ASP A 27 -7.842 5.946 2.108 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.570 6.856 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.063 4.414 2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.106 5.138 0.884 1.00 0.00 H new ATOM 390 N ASN A 28 -8.951 5.724 5.037 1.00 0.00 N ATOM 391 CA ASN A 28 -9.028 5.377 6.488 1.00 0.00 C ATOM 392 C ASN A 28 -9.000 3.858 6.666 1.00 0.00 C ATOM 393 O ASN A 28 -9.575 3.321 7.592 1.00 0.00 O ATOM 394 CB ASN A 28 -10.318 5.940 7.089 1.00 0.00 C ATOM 395 CG ASN A 28 -10.161 6.067 8.605 1.00 0.00 C ATOM 396 OD1 ASN A 28 -9.073 5.929 9.129 1.00 0.00 O ATOM 397 ND2 ASN A 28 -11.210 6.325 9.338 1.00 0.00 N ATOM 0 H ASN A 28 -8.018 5.967 4.703 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.171 5.813 7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.540 6.914 6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.157 5.286 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.116 6.411 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.123 6.441 8.899 1.00 0.00 H new ATOM 404 N LYS A 29 -8.332 3.161 5.788 1.00 0.00 N ATOM 405 CA LYS A 29 -8.261 1.685 5.908 1.00 0.00 C ATOM 406 C LYS A 29 -6.792 1.255 5.954 1.00 0.00 C ATOM 407 O LYS A 29 -5.960 1.782 5.244 1.00 0.00 O ATOM 408 CB LYS A 29 -8.947 1.056 4.698 1.00 0.00 C ATOM 409 CG LYS A 29 -8.623 -0.432 4.654 1.00 0.00 C ATOM 410 CD LYS A 29 -9.916 -1.244 4.732 1.00 0.00 C ATOM 411 CE LYS A 29 -10.756 -0.993 3.478 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.813 0.013 3.784 1.00 0.00 N ATOM 0 H LYS A 29 -7.832 3.556 4.991 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.760 1.358 6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.025 1.204 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.610 1.541 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.088 -0.670 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.966 -0.696 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.686 -2.306 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.480 -0.964 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.121 -0.635 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.211 -1.924 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.721 -0.306 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.902 0.121 4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.555 0.927 3.361 1.00 0.00 H new ATOM 426 N THR A 30 -6.468 0.302 6.785 1.00 0.00 N ATOM 427 CA THR A 30 -5.051 -0.156 6.874 1.00 0.00 C ATOM 428 C THR A 30 -4.779 -1.209 5.802 1.00 0.00 C ATOM 429 O THR A 30 -5.682 -1.842 5.293 1.00 0.00 O ATOM 430 CB THR A 30 -4.795 -0.773 8.253 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.838 0.245 9.240 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.420 -1.450 8.271 1.00 0.00 C ATOM 0 H THR A 30 -7.121 -0.178 7.405 1.00 0.00 H new ATOM 0 HA THR A 30 -4.392 0.699 6.723 1.00 0.00 H new ATOM 0 HB THR A 30 -5.563 -1.517 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.098 1.093 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.243 -1.887 9.254 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.391 -2.234 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.648 -0.711 8.058 1.00 0.00 H new ATOM 440 N TYR A 31 -3.535 -1.415 5.477 1.00 0.00 N ATOM 441 CA TYR A 31 -3.182 -2.441 4.465 1.00 0.00 C ATOM 442 C TYR A 31 -2.067 -3.304 5.045 1.00 0.00 C ATOM 443 O TYR A 31 -1.056 -2.802 5.481 1.00 0.00 O ATOM 444 CB TYR A 31 -2.727 -1.776 3.160 1.00 0.00 C ATOM 445 CG TYR A 31 -3.940 -1.313 2.389 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.520 -0.072 2.678 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.487 -2.124 1.387 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.644 0.359 1.963 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.611 -1.692 0.673 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.190 -0.451 0.961 1.00 0.00 C ATOM 451 OH TYR A 31 -7.297 -0.025 0.256 1.00 0.00 O ATOM 0 H TYR A 31 -2.742 -0.911 5.874 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.051 -3.056 4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.075 -0.930 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.148 -2.480 2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.100 0.553 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.042 -3.083 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.090 1.317 2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.032 -2.317 -0.101 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.295 0.954 0.203 1.00 0.00 H new ATOM 461 N GLY A 32 -2.264 -4.595 5.090 1.00 0.00 N ATOM 462 CA GLY A 32 -1.235 -5.496 5.682 1.00 0.00 C ATOM 463 C GLY A 32 0.176 -5.028 5.320 1.00 0.00 C ATOM 464 O GLY A 32 1.011 -4.835 6.180 1.00 0.00 O ATOM 0 H GLY A 32 -3.098 -5.066 4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.347 -5.520 6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.388 -6.514 5.323 1.00 0.00 H new ATOM 468 N ASN A 33 0.460 -4.843 4.060 1.00 0.00 N ATOM 469 CA ASN A 33 1.829 -4.393 3.687 1.00 0.00 C ATOM 470 C ASN A 33 1.806 -3.663 2.345 1.00 0.00 C ATOM 471 O ASN A 33 0.772 -3.235 1.878 1.00 0.00 O ATOM 472 CB ASN A 33 2.777 -5.598 3.622 1.00 0.00 C ATOM 473 CG ASN A 33 2.239 -6.649 2.650 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.155 -6.511 2.120 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.964 -7.707 2.397 1.00 0.00 N ATOM 0 H ASN A 33 -0.186 -4.982 3.283 1.00 0.00 H new ATOM 0 HA ASN A 33 2.189 -3.701 4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.767 -5.273 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.889 -6.035 4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.620 -8.419 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.874 -7.820 2.844 1.00 0.00 H new ATOM 482 N LYS A 34 2.948 -3.487 1.743 1.00 0.00 N ATOM 483 CA LYS A 34 3.014 -2.751 0.451 1.00 0.00 C ATOM 484 C LYS A 34 2.238 -3.478 -0.650 1.00 0.00 C ATOM 485 O LYS A 34 1.806 -2.872 -1.604 1.00 0.00 O ATOM 486 CB LYS A 34 4.465 -2.616 0.026 1.00 0.00 C ATOM 487 CG LYS A 34 5.060 -4.008 -0.139 1.00 0.00 C ATOM 488 CD LYS A 34 5.269 -4.306 -1.626 1.00 0.00 C ATOM 489 CE LYS A 34 6.631 -3.768 -2.073 1.00 0.00 C ATOM 490 NZ LYS A 34 6.712 -2.308 -1.783 1.00 0.00 N ATOM 0 H LYS A 34 3.845 -3.824 2.093 1.00 0.00 H new ATOM 0 HA LYS A 34 2.563 -1.770 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.534 -2.063 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.026 -2.052 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.010 -4.074 0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.397 -4.752 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.216 -5.380 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.475 -3.846 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.430 -4.297 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.771 -3.946 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.521 -1.898 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.836 -1.843 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.835 -2.163 -0.761 1.00 0.00 H new ATOM 504 N CYS A 35 2.068 -4.763 -0.550 1.00 0.00 N ATOM 505 CA CYS A 35 1.321 -5.481 -1.614 1.00 0.00 C ATOM 506 C CYS A 35 -0.153 -5.109 -1.529 1.00 0.00 C ATOM 507 O CYS A 35 -0.763 -4.702 -2.496 1.00 0.00 O ATOM 508 CB CYS A 35 1.458 -6.985 -1.420 1.00 0.00 C ATOM 509 SG CYS A 35 0.484 -7.835 -2.686 1.00 0.00 S ATOM 0 H CYS A 35 2.411 -5.344 0.216 1.00 0.00 H new ATOM 0 HA CYS A 35 1.726 -5.200 -2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.505 -7.280 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.113 -7.269 -0.426 1.00 0.00 H new ATOM 514 N ASN A 36 -0.727 -5.262 -0.375 1.00 0.00 N ATOM 515 CA ASN A 36 -2.169 -4.932 -0.203 1.00 0.00 C ATOM 516 C ASN A 36 -2.395 -3.431 -0.429 1.00 0.00 C ATOM 517 O ASN A 36 -3.397 -3.027 -0.988 1.00 0.00 O ATOM 518 CB ASN A 36 -2.604 -5.314 1.215 1.00 0.00 C ATOM 519 CG ASN A 36 -2.706 -6.838 1.330 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.790 -7.385 1.333 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.616 -7.554 1.429 1.00 0.00 N ATOM 0 H ASN A 36 -0.259 -5.604 0.464 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.759 -5.489 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.887 -4.932 1.941 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.566 -4.857 1.446 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.678 -8.569 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.704 -7.097 1.427 1.00 0.00 H new ATOM 528 N PHE A 37 -1.483 -2.598 0.002 1.00 0.00 N ATOM 529 CA PHE A 37 -1.665 -1.124 -0.190 1.00 0.00 C ATOM 530 C PHE A 37 -1.514 -0.776 -1.653 1.00 0.00 C ATOM 531 O PHE A 37 -2.297 -0.052 -2.232 1.00 0.00 O ATOM 532 CB PHE A 37 -0.603 -0.347 0.598 1.00 0.00 C ATOM 533 CG PHE A 37 -0.932 1.112 0.531 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.051 1.642 1.165 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.100 1.924 -0.224 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.337 3.012 1.038 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.372 3.289 -0.352 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.493 3.834 0.281 1.00 0.00 C ATOM 0 H PHE A 37 -0.623 -2.871 0.477 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.660 -0.855 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.580 -0.683 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.387 -0.531 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.696 1.004 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.763 1.500 -0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.206 3.430 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.281 3.920 -0.937 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.708 4.888 0.186 1.00 0.00 H new ATOM 548 N CYS A 38 -0.492 -1.283 -2.233 1.00 0.00 N ATOM 549 CA CYS A 38 -0.216 -0.996 -3.665 1.00 0.00 C ATOM 550 C CYS A 38 -1.335 -1.561 -4.529 1.00 0.00 C ATOM 551 O CYS A 38 -1.636 -1.038 -5.577 1.00 0.00 O ATOM 552 CB CYS A 38 1.116 -1.619 -4.076 1.00 0.00 C ATOM 553 SG CYS A 38 2.468 -0.531 -3.561 1.00 0.00 S ATOM 0 H CYS A 38 0.185 -1.897 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.162 0.084 -3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.229 -2.601 -3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.144 -1.767 -5.156 1.00 0.00 H new ATOM 558 N ASN A 39 -1.962 -2.615 -4.099 1.00 0.00 N ATOM 559 CA ASN A 39 -3.065 -3.185 -4.898 1.00 0.00 C ATOM 560 C ASN A 39 -4.266 -2.254 -4.787 1.00 0.00 C ATOM 561 O ASN A 39 -4.973 -2.018 -5.746 1.00 0.00 O ATOM 562 CB ASN A 39 -3.428 -4.552 -4.328 1.00 0.00 C ATOM 563 CG ASN A 39 -2.342 -5.564 -4.685 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.645 -5.402 -5.664 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.166 -6.607 -3.925 1.00 0.00 N ATOM 0 H ASN A 39 -1.755 -3.104 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.770 -3.291 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.537 -4.488 -3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.388 -4.879 -4.726 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.442 -7.288 -4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.752 -6.743 -3.102 1.00 0.00 H new ATOM 572 N ALA A 40 -4.491 -1.718 -3.618 1.00 0.00 N ATOM 573 CA ALA A 40 -5.638 -0.794 -3.419 1.00 0.00 C ATOM 574 C ALA A 40 -5.332 0.534 -4.106 1.00 0.00 C ATOM 575 O ALA A 40 -6.212 1.331 -4.365 1.00 0.00 O ATOM 576 CB ALA A 40 -5.837 -0.557 -1.921 1.00 0.00 C ATOM 0 H ALA A 40 -3.923 -1.884 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.543 -1.228 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.677 0.120 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.042 -1.507 -1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.934 -0.116 -1.499 1.00 0.00 H new ATOM 582 N VAL A 41 -4.089 0.771 -4.411 1.00 0.00 N ATOM 583 CA VAL A 41 -3.718 2.040 -5.089 1.00 0.00 C ATOM 584 C VAL A 41 -3.920 1.877 -6.595 1.00 0.00 C ATOM 585 O VAL A 41 -4.553 2.684 -7.239 1.00 0.00 O ATOM 586 CB VAL A 41 -2.248 2.349 -4.810 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.790 3.509 -5.695 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.078 2.724 -3.337 1.00 0.00 C ATOM 0 H VAL A 41 -3.312 0.138 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.341 2.854 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.643 1.470 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.741 3.728 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.910 3.236 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.392 4.391 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.030 2.945 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.683 3.603 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.400 1.892 -2.710 1.00 0.00 H new ATOM 598 N VAL A 42 -3.383 0.836 -7.162 1.00 0.00 N ATOM 599 CA VAL A 42 -3.531 0.617 -8.614 1.00 0.00 C ATOM 600 C VAL A 42 -4.991 0.284 -8.939 1.00 0.00 C ATOM 601 O VAL A 42 -5.428 0.402 -10.067 1.00 0.00 O ATOM 602 CB VAL A 42 -2.606 -0.531 -9.029 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.906 -1.784 -8.205 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.811 -0.834 -10.505 1.00 0.00 C ATOM 0 H VAL A 42 -2.843 0.123 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.258 1.517 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.573 -0.234 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.240 -2.590 -8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.752 -1.570 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.941 -2.087 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.154 -1.651 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.848 -1.122 -10.677 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.578 0.053 -11.094 1.00 0.00 H new ATOM 614 N GLU A 43 -5.759 -0.104 -7.956 1.00 0.00 N ATOM 615 CA GLU A 43 -7.190 -0.409 -8.205 1.00 0.00 C ATOM 616 C GLU A 43 -8.002 0.859 -7.958 1.00 0.00 C ATOM 617 O GLU A 43 -9.034 1.081 -8.560 1.00 0.00 O ATOM 618 CB GLU A 43 -7.681 -1.501 -7.247 1.00 0.00 C ATOM 619 CG GLU A 43 -7.366 -1.137 -5.820 1.00 0.00 C ATOM 620 CD GLU A 43 -8.637 -0.641 -5.128 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.969 0.521 -5.303 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.257 -1.430 -4.434 1.00 0.00 O ATOM 0 H GLU A 43 -5.452 -0.222 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.310 -0.758 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.756 -1.638 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.209 -2.451 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.966 -2.003 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.598 -0.364 -5.792 1.00 0.00 H new ATOM 629 N SER A 44 -7.547 1.682 -7.052 1.00 0.00 N ATOM 630 CA SER A 44 -8.290 2.931 -6.728 1.00 0.00 C ATOM 631 C SER A 44 -7.851 4.072 -7.651 1.00 0.00 C ATOM 632 O SER A 44 -8.125 5.224 -7.388 1.00 0.00 O ATOM 633 CB SER A 44 -8.006 3.320 -5.277 1.00 0.00 C ATOM 634 OG SER A 44 -8.695 4.525 -4.970 1.00 0.00 O ATOM 0 H SER A 44 -6.688 1.541 -6.520 1.00 0.00 H new ATOM 0 HA SER A 44 -9.356 2.755 -6.870 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.326 2.523 -4.606 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.934 3.452 -5.127 1.00 0.00 H new ATOM 0 HG SER A 44 -8.516 4.776 -4.040 1.00 0.00 H new ATOM 640 N ASN A 45 -7.178 3.766 -8.725 1.00 0.00 N ATOM 641 CA ASN A 45 -6.729 4.835 -9.655 1.00 0.00 C ATOM 642 C ASN A 45 -5.731 5.750 -8.939 1.00 0.00 C ATOM 643 O ASN A 45 -5.393 6.815 -9.416 1.00 0.00 O ATOM 644 CB ASN A 45 -7.932 5.649 -10.129 1.00 0.00 C ATOM 645 CG ASN A 45 -8.667 4.891 -11.236 1.00 0.00 C ATOM 646 OD1 ASN A 45 -9.259 5.494 -12.109 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.655 3.586 -11.242 1.00 0.00 N ATOM 0 H ASN A 45 -6.920 2.818 -8.998 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.245 4.381 -10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.607 5.837 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.603 6.621 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.142 3.075 -11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.159 3.077 -10.510 1.00 0.00 H new ATOM 654 N GLY A 46 -5.250 5.333 -7.800 1.00 0.00 N ATOM 655 CA GLY A 46 -4.262 6.159 -7.045 1.00 0.00 C ATOM 656 C GLY A 46 -4.980 7.266 -6.274 1.00 0.00 C ATOM 657 O GLY A 46 -4.386 8.252 -5.884 1.00 0.00 O ATOM 0 H GLY A 46 -5.500 4.449 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.702 5.529 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.540 6.596 -7.735 1.00 0.00 H new ATOM 661 N THR A 47 -6.250 7.101 -6.031 1.00 0.00 N ATOM 662 CA THR A 47 -7.005 8.130 -5.261 1.00 0.00 C ATOM 663 C THR A 47 -7.008 7.733 -3.782 1.00 0.00 C ATOM 664 O THR A 47 -7.616 8.382 -2.953 1.00 0.00 O ATOM 665 CB THR A 47 -8.443 8.203 -5.780 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.185 7.103 -5.272 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.435 8.156 -7.307 1.00 0.00 C ATOM 0 H THR A 47 -6.799 6.296 -6.333 1.00 0.00 H new ATOM 0 HA THR A 47 -6.534 9.106 -5.380 1.00 0.00 H new ATOM 0 HB THR A 47 -8.904 9.134 -5.449 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.644 6.288 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.459 8.208 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.865 9.001 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.975 7.226 -7.640 1.00 0.00 H new ATOM 675 N LEU A 48 -6.327 6.668 -3.450 1.00 0.00 N ATOM 676 CA LEU A 48 -6.274 6.211 -2.034 1.00 0.00 C ATOM 677 C LEU A 48 -5.254 7.068 -1.278 1.00 0.00 C ATOM 678 O LEU A 48 -5.532 7.637 -0.248 1.00 0.00 O ATOM 679 CB LEU A 48 -5.871 4.710 -2.030 1.00 0.00 C ATOM 680 CG LEU A 48 -4.562 4.459 -1.257 1.00 0.00 C ATOM 681 CD1 LEU A 48 -4.769 4.758 0.230 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.144 2.998 -1.428 1.00 0.00 C ATOM 0 H LEU A 48 -5.801 6.091 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.240 6.319 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.673 4.122 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.756 4.364 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.783 5.113 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.839 4.578 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.065 5.800 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.550 4.109 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.218 2.818 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.927 2.348 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.989 2.785 -2.486 1.00 0.00 H new ATOM 694 N THR A 49 -4.081 7.142 -1.809 1.00 0.00 N ATOM 695 CA THR A 49 -2.984 7.918 -1.195 1.00 0.00 C ATOM 696 C THR A 49 -2.763 7.512 0.254 1.00 0.00 C ATOM 697 O THR A 49 -3.617 7.650 1.107 1.00 0.00 O ATOM 698 CB THR A 49 -3.269 9.402 -1.259 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.565 9.675 -0.746 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.166 9.874 -2.704 1.00 0.00 C ATOM 0 H THR A 49 -3.825 6.677 -2.680 1.00 0.00 H new ATOM 0 HA THR A 49 -2.080 7.701 -1.764 1.00 0.00 H new ATOM 0 HB THR A 49 -2.538 9.936 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.871 8.914 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.371 10.943 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.161 9.680 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.892 9.337 -3.315 1.00 0.00 H new ATOM 708 N LEU A 50 -1.589 7.041 0.521 1.00 0.00 N ATOM 709 CA LEU A 50 -1.201 6.633 1.885 1.00 0.00 C ATOM 710 C LEU A 50 -1.190 7.881 2.768 1.00 0.00 C ATOM 711 O LEU A 50 -0.955 8.977 2.300 1.00 0.00 O ATOM 712 CB LEU A 50 0.205 6.031 1.791 1.00 0.00 C ATOM 713 CG LEU A 50 0.899 6.023 3.151 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.477 4.774 3.916 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.409 5.996 2.924 1.00 0.00 C ATOM 0 H LEU A 50 -0.856 6.918 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.891 5.904 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.142 5.013 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.801 6.603 1.080 1.00 0.00 H new ATOM 0 HG LEU A 50 0.625 6.909 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.968 4.760 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.604 4.781 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.765 3.887 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.921 5.990 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.677 5.100 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.708 6.879 2.359 1.00 0.00 H new ATOM 727 N SER A 51 -1.417 7.730 4.039 1.00 0.00 N ATOM 728 CA SER A 51 -1.390 8.918 4.935 1.00 0.00 C ATOM 729 C SER A 51 -0.188 8.780 5.866 1.00 0.00 C ATOM 730 O SER A 51 0.250 9.729 6.487 1.00 0.00 O ATOM 731 CB SER A 51 -2.677 8.991 5.764 1.00 0.00 C ATOM 732 OG SER A 51 -3.092 10.345 5.867 1.00 0.00 O ATOM 0 H SER A 51 -1.619 6.841 4.496 1.00 0.00 H new ATOM 0 HA SER A 51 -1.314 9.829 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.459 8.393 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.508 8.574 6.757 1.00 0.00 H new ATOM 0 HG SER A 51 -3.916 10.395 6.395 1.00 0.00 H new ATOM 738 N HIS A 52 0.343 7.594 5.961 1.00 0.00 N ATOM 739 CA HIS A 52 1.513 7.351 6.839 1.00 0.00 C ATOM 740 C HIS A 52 1.828 5.860 6.811 1.00 0.00 C ATOM 741 O HIS A 52 1.010 5.051 6.419 1.00 0.00 O ATOM 742 CB HIS A 52 1.163 7.744 8.267 1.00 0.00 C ATOM 743 CG HIS A 52 0.058 6.846 8.736 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.052 6.420 10.050 1.00 0.00 N ATOM 745 CD2 HIS A 52 -0.979 6.253 8.062 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.118 5.601 10.118 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.719 5.468 8.936 1.00 0.00 N ATOM 0 H HIS A 52 0.008 6.772 5.458 1.00 0.00 H new ATOM 0 HA HIS A 52 2.366 7.935 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.035 7.646 8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.850 8.787 8.310 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.561 6.679 10.823 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.188 6.378 7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.447 5.110 11.022 1.00 0.00 H new ATOM 755 N PHE A 53 2.989 5.484 7.239 1.00 0.00 N ATOM 756 CA PHE A 53 3.331 4.039 7.251 1.00 0.00 C ATOM 757 C PHE A 53 2.699 3.392 8.485 1.00 0.00 C ATOM 758 O PHE A 53 2.061 4.053 9.282 1.00 0.00 O ATOM 759 CB PHE A 53 4.848 3.874 7.278 1.00 0.00 C ATOM 760 CG PHE A 53 5.402 4.271 5.931 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.457 5.623 5.577 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.853 3.291 5.034 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.963 5.999 4.329 1.00 0.00 C ATOM 764 CE2 PHE A 53 6.361 3.670 3.785 1.00 0.00 C ATOM 765 CZ PHE A 53 6.417 5.023 3.432 1.00 0.00 C ATOM 0 H PHE A 53 3.718 6.110 7.581 1.00 0.00 H new ATOM 0 HA PHE A 53 2.946 3.553 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.282 4.494 8.063 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.112 2.841 7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.109 6.377 6.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.809 2.247 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.004 7.043 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.710 2.917 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.810 5.315 2.469 1.00 0.00 H new ATOM 775 N GLY A 54 2.851 2.109 8.644 1.00 0.00 N ATOM 776 CA GLY A 54 2.238 1.427 9.816 1.00 0.00 C ATOM 777 C GLY A 54 0.729 1.297 9.589 1.00 0.00 C ATOM 778 O GLY A 54 0.226 1.552 8.514 1.00 0.00 O ATOM 0 H GLY A 54 3.374 1.502 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.684 0.442 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.434 1.995 10.726 1.00 0.00 H new ATOM 782 N LYS A 55 -0.007 0.955 10.606 1.00 0.00 N ATOM 783 CA LYS A 55 -1.479 0.865 10.446 1.00 0.00 C ATOM 784 C LYS A 55 -2.052 2.230 10.830 1.00 0.00 C ATOM 785 O LYS A 55 -1.334 3.089 11.296 1.00 0.00 O ATOM 786 CB LYS A 55 -2.077 -0.232 11.346 1.00 0.00 C ATOM 787 CG LYS A 55 -1.140 -1.458 11.452 1.00 0.00 C ATOM 788 CD LYS A 55 0.040 -1.221 12.413 1.00 0.00 C ATOM 789 CE LYS A 55 -0.355 -0.237 13.519 1.00 0.00 C ATOM 790 NZ LYS A 55 0.734 -0.164 14.535 1.00 0.00 N ATOM 0 H LYS A 55 0.346 0.735 11.537 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.729 0.603 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.260 0.173 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.042 -0.545 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.713 -2.320 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.754 -1.702 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.352 -2.167 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.894 -0.831 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.536 0.750 13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.285 -0.557 13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.465 0.504 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.887 -1.106 14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.611 0.161 14.081 1.00 0.00 H new ATOM 804 N CYS A 56 -3.323 2.448 10.649 1.00 0.00 N ATOM 805 CA CYS A 56 -3.905 3.771 11.010 1.00 0.00 C ATOM 806 C CYS A 56 -4.169 3.824 12.515 1.00 0.00 C ATOM 807 O CYS A 56 -3.508 3.097 13.238 1.00 0.00 O ATOM 808 CB CYS A 56 -5.216 3.975 10.252 1.00 0.00 C ATOM 809 SG CYS A 56 -4.988 5.266 9.005 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.027 4.591 12.919 1.00 0.00 O ATOM 0 H CYS A 56 -3.983 1.770 10.268 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.203 4.560 10.740 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.524 3.044 9.776 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.010 4.257 10.944 1.00 0.00 H new TER 815 CYS A 56