USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 375 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 2 SER OG : rot 26:sc= 0.32 USER MOD Set 1.2: A 21 MET CE :methyl -152:sc= -0.377 (180deg=-1.51!) USER MOD Single : A 1 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.023) USER MOD Single : A 1 ASN N :NH3+ -129:sc= 0.0763 (180deg=-0.0695) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 79:sc= 1.05 USER MOD Single : A 13 TYR OH : rot -163:sc= 6.2e-05 USER MOD Single : A 16 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.003) USER MOD Single : A 22 HIS : +bothHN:sc= -5.64! C(o=-5.6!,f=-5.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 67:sc= 1.37 USER MOD Single : A 32 ASN :FLIP amide:sc= 0.277 F(o=-0.45,f=0.28) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.397 USER MOD Single : A 43 GLN : amide:sc= -0.34 K(o=-0.34,f=-8.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -7.199 14.238 -0.965 1.00 0.00 N ATOM 2 CA ASN A 1 -8.161 13.189 -1.256 1.00 0.00 C ATOM 3 C ASN A 1 -7.416 11.929 -1.702 1.00 0.00 C ATOM 4 O ASN A 1 -6.235 11.990 -2.044 1.00 0.00 O ATOM 5 CB ASN A 1 -9.105 13.605 -2.386 1.00 0.00 C ATOM 6 CG ASN A 1 -9.918 14.840 -1.994 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.568 15.968 -2.299 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.021 14.565 -1.303 1.00 0.00 N ATOM 0 H1 ASN A 1 -7.394 14.636 -0.024 1.00 0.00 H new ATOM 0 H2 ASN A 1 -6.238 13.842 -0.981 1.00 0.00 H new ATOM 0 H3 ASN A 1 -7.276 14.988 -1.681 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.741 13.003 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.529 13.815 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.779 12.782 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.632 15.322 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.256 13.598 -1.081 1.00 0.00 H new ATOM 16 N SER A 2 -8.135 10.817 -1.685 1.00 0.00 N ATOM 17 CA SER A 2 -7.570 9.554 -2.126 1.00 0.00 C ATOM 18 C SER A 2 -8.529 8.862 -3.098 1.00 0.00 C ATOM 19 O SER A 2 -9.744 8.903 -2.912 1.00 0.00 O ATOM 20 CB SER A 2 -7.270 8.639 -0.937 1.00 0.00 C ATOM 21 OG SER A 2 -6.721 7.390 -1.348 1.00 0.00 O ATOM 0 H SER A 2 -9.105 10.765 -1.372 1.00 0.00 H new ATOM 0 HA SER A 2 -6.630 9.761 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.573 9.137 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.187 8.464 -0.374 1.00 0.00 H new ATOM 0 HG SER A 2 -6.274 7.498 -2.214 1.00 0.00 H new ATOM 27 N TYR A 3 -7.946 8.244 -4.114 1.00 0.00 N ATOM 28 CA TYR A 3 -8.735 7.637 -5.173 1.00 0.00 C ATOM 29 C TYR A 3 -8.179 6.262 -5.551 1.00 0.00 C ATOM 30 O TYR A 3 -6.970 6.097 -5.697 1.00 0.00 O ATOM 31 CB TYR A 3 -8.615 8.572 -6.377 1.00 0.00 C ATOM 32 CG TYR A 3 -9.361 8.084 -7.621 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.723 8.280 -7.729 1.00 0.00 C ATOM 34 CD2 TYR A 3 -8.672 7.449 -8.634 1.00 0.00 C ATOM 35 CE1 TYR A 3 -11.425 7.821 -8.899 1.00 0.00 C ATOM 36 CE2 TYR A 3 -9.376 6.989 -9.804 1.00 0.00 C ATOM 37 CZ TYR A 3 -10.717 7.198 -9.879 1.00 0.00 C ATOM 38 OH TYR A 3 -11.380 6.764 -10.985 1.00 0.00 O ATOM 0 H TYR A 3 -6.937 8.150 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.768 7.500 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.996 9.555 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.561 8.696 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.262 8.777 -6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.606 7.297 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.490 7.968 -8.996 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.850 6.489 -10.604 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.747 6.339 -11.600 1.00 0.00 H new ATOM 48 N PRO A 4 -9.049 5.256 -5.716 1.00 0.00 N ATOM 49 CA PRO A 4 -8.607 3.951 -6.212 1.00 0.00 C ATOM 50 C PRO A 4 -8.179 4.003 -7.669 1.00 0.00 C ATOM 51 O PRO A 4 -9.019 4.030 -8.567 1.00 0.00 O ATOM 52 CB PRO A 4 -9.831 3.054 -6.013 1.00 0.00 C ATOM 53 CG PRO A 4 -10.988 4.008 -6.088 1.00 0.00 C ATOM 54 CD PRO A 4 -10.499 5.275 -5.447 1.00 0.00 C ATOM 0 HA PRO A 4 -7.725 3.586 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.894 2.286 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.798 2.539 -5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.289 4.181 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.858 3.613 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.976 6.154 -5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.709 5.291 -4.378 1.00 0.00 H new ATOM 62 N GLY A 5 -6.868 4.015 -7.867 1.00 0.00 N ATOM 63 CA GLY A 5 -6.314 4.135 -9.205 1.00 0.00 C ATOM 64 C GLY A 5 -4.927 3.495 -9.284 1.00 0.00 C ATOM 65 O GLY A 5 -4.205 3.448 -8.289 1.00 0.00 O ATOM 0 H GLY A 5 -6.174 3.944 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.981 3.656 -9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.249 5.187 -9.483 1.00 0.00 H new ATOM 69 N CYS A 6 -4.597 3.017 -10.475 1.00 0.00 N ATOM 70 CA CYS A 6 -3.303 2.396 -10.699 1.00 0.00 C ATOM 71 C CYS A 6 -3.274 1.850 -12.128 1.00 0.00 C ATOM 72 O CYS A 6 -3.639 0.698 -12.363 1.00 0.00 O ATOM 73 CB CYS A 6 -3.011 1.307 -9.665 1.00 0.00 C ATOM 74 SG CYS A 6 -1.873 1.809 -8.323 1.00 0.00 S ATOM 0 H CYS A 6 -5.203 3.047 -11.295 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.514 3.139 -10.579 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.953 0.984 -9.222 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.587 0.443 -10.177 1.00 0.00 H new ATOM 79 N PRO A 7 -2.842 2.660 -13.104 1.00 0.00 N ATOM 80 CA PRO A 7 -2.844 2.225 -14.503 1.00 0.00 C ATOM 81 C PRO A 7 -1.823 1.131 -14.768 1.00 0.00 C ATOM 82 O PRO A 7 -1.179 0.641 -13.842 1.00 0.00 O ATOM 83 CB PRO A 7 -2.523 3.503 -15.280 1.00 0.00 C ATOM 84 CG PRO A 7 -1.724 4.321 -14.306 1.00 0.00 C ATOM 85 CD PRO A 7 -2.325 4.034 -12.961 1.00 0.00 C ATOM 0 HA PRO A 7 -3.795 1.781 -14.797 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.954 3.289 -16.185 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.430 4.022 -15.589 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.670 4.045 -14.333 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.782 5.383 -14.544 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.582 4.103 -12.166 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.120 4.739 -12.717 1.00 0.00 H new ATOM 93 N SER A 8 -1.700 0.776 -16.038 1.00 0.00 N ATOM 94 CA SER A 8 -0.790 -0.285 -16.434 1.00 0.00 C ATOM 95 C SER A 8 0.627 0.034 -15.952 1.00 0.00 C ATOM 96 O SER A 8 1.431 -0.870 -15.736 1.00 0.00 O ATOM 97 CB SER A 8 -0.803 -0.485 -17.950 1.00 0.00 C ATOM 98 OG SER A 8 -2.085 -0.884 -18.426 1.00 0.00 O ATOM 0 H SER A 8 -2.216 1.204 -16.807 1.00 0.00 H new ATOM 0 HA SER A 8 -1.124 -1.213 -15.970 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.507 0.442 -18.440 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.065 -1.239 -18.222 1.00 0.00 H new ATOM 0 HG SER A 8 -2.051 -0.999 -19.399 1.00 0.00 H new ATOM 104 N SER A 9 0.888 1.324 -15.799 1.00 0.00 N ATOM 105 CA SER A 9 2.201 1.775 -15.371 1.00 0.00 C ATOM 106 C SER A 9 2.516 1.224 -13.979 1.00 0.00 C ATOM 107 O SER A 9 3.648 0.829 -13.705 1.00 0.00 O ATOM 108 CB SER A 9 2.284 3.303 -15.368 1.00 0.00 C ATOM 109 OG SER A 9 3.544 3.768 -14.892 1.00 0.00 O ATOM 0 H SER A 9 0.213 2.071 -15.964 1.00 0.00 H new ATOM 0 HA SER A 9 2.939 1.399 -16.079 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.118 3.677 -16.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.488 3.708 -14.743 1.00 0.00 H new ATOM 0 HG SER A 9 3.558 4.748 -14.907 1.00 0.00 H new ATOM 115 N TYR A 10 1.494 1.215 -13.135 1.00 0.00 N ATOM 116 CA TYR A 10 1.651 0.733 -11.774 1.00 0.00 C ATOM 117 C TYR A 10 0.952 -0.614 -11.584 1.00 0.00 C ATOM 118 O TYR A 10 0.253 -0.822 -10.594 1.00 0.00 O ATOM 119 CB TYR A 10 0.976 1.774 -10.878 1.00 0.00 C ATOM 120 CG TYR A 10 1.624 3.159 -10.937 1.00 0.00 C ATOM 121 CD1 TYR A 10 1.243 4.057 -11.913 1.00 0.00 C ATOM 122 CD2 TYR A 10 2.588 3.510 -10.015 1.00 0.00 C ATOM 123 CE1 TYR A 10 1.852 5.361 -11.969 1.00 0.00 C ATOM 124 CE2 TYR A 10 3.197 4.814 -10.071 1.00 0.00 C ATOM 125 CZ TYR A 10 2.800 5.675 -11.045 1.00 0.00 C ATOM 126 OH TYR A 10 3.375 6.906 -11.098 1.00 0.00 O ATOM 0 H TYR A 10 0.554 1.534 -13.368 1.00 0.00 H new ATOM 0 HA TYR A 10 2.706 0.595 -11.536 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.072 1.862 -11.166 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.995 1.419 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.488 3.782 -12.635 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.886 2.807 -9.251 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.563 6.073 -12.727 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.953 5.101 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 10 2.770 7.567 -10.701 1.00 0.00 H new ATOM 136 N ASP A 11 1.166 -1.496 -12.550 1.00 0.00 N ATOM 137 CA ASP A 11 0.595 -2.831 -12.484 1.00 0.00 C ATOM 138 C ASP A 11 1.609 -3.784 -11.849 1.00 0.00 C ATOM 139 O ASP A 11 1.742 -4.930 -12.276 1.00 0.00 O ATOM 140 CB ASP A 11 0.263 -3.358 -13.882 1.00 0.00 C ATOM 141 CG ASP A 11 -0.537 -4.661 -13.908 1.00 0.00 C ATOM 142 OD1 ASP A 11 -0.294 -5.542 -14.747 1.00 0.00 O ATOM 143 OD2 ASP A 11 -1.455 -4.756 -13.008 1.00 0.00 O ATOM 0 H ASP A 11 1.727 -1.312 -13.382 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.319 -2.778 -11.892 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.299 -2.593 -14.418 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.194 -3.510 -14.427 1.00 0.00 H new ATOM 149 N GLY A 12 2.297 -3.276 -10.837 1.00 0.00 N ATOM 150 CA GLY A 12 3.278 -4.075 -10.123 1.00 0.00 C ATOM 151 C GLY A 12 3.933 -3.267 -9.002 1.00 0.00 C ATOM 152 O GLY A 12 5.137 -3.375 -8.773 1.00 0.00 O ATOM 0 H GLY A 12 2.194 -2.321 -10.495 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.797 -4.959 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.042 -4.425 -10.817 1.00 0.00 H new ATOM 156 N TYR A 13 3.111 -2.472 -8.331 1.00 0.00 N ATOM 157 CA TYR A 13 3.588 -1.671 -7.216 1.00 0.00 C ATOM 158 C TYR A 13 3.325 -2.374 -5.883 1.00 0.00 C ATOM 159 O TYR A 13 3.902 -2.008 -4.861 1.00 0.00 O ATOM 160 CB TYR A 13 2.786 -0.368 -7.260 1.00 0.00 C ATOM 161 CG TYR A 13 3.512 0.829 -6.644 1.00 0.00 C ATOM 162 CD1 TYR A 13 4.369 1.588 -7.415 1.00 0.00 C ATOM 163 CD2 TYR A 13 3.309 1.152 -5.318 1.00 0.00 C ATOM 164 CE1 TYR A 13 5.052 2.716 -6.834 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.991 2.279 -4.737 1.00 0.00 C ATOM 166 CZ TYR A 13 4.830 3.005 -5.525 1.00 0.00 C ATOM 167 OH TYR A 13 5.474 4.070 -4.977 1.00 0.00 O ATOM 0 H TYR A 13 2.118 -2.366 -8.538 1.00 0.00 H new ATOM 0 HA TYR A 13 4.662 -1.504 -7.295 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.542 -0.138 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.842 -0.516 -6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.528 1.337 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.638 0.559 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.725 3.318 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.840 2.542 -3.700 1.00 0.00 H new ATOM 0 HH TYR A 13 5.437 4.007 -4.000 1.00 0.00 H new ATOM 177 N CYS A 14 2.453 -3.370 -5.939 1.00 0.00 N ATOM 178 CA CYS A 14 2.171 -4.183 -4.767 1.00 0.00 C ATOM 179 C CYS A 14 2.892 -5.522 -4.926 1.00 0.00 C ATOM 180 O CYS A 14 2.783 -6.171 -5.966 1.00 0.00 O ATOM 181 CB CYS A 14 0.666 -4.366 -4.556 1.00 0.00 C ATOM 182 SG CYS A 14 -0.344 -2.881 -4.908 1.00 0.00 S ATOM 0 H CYS A 14 1.933 -3.633 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 14 2.539 -3.678 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.321 -5.182 -5.191 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.492 -4.670 -3.524 1.00 0.00 H new ATOM 187 N LEU A 15 3.613 -5.897 -3.879 1.00 0.00 N ATOM 188 CA LEU A 15 4.413 -7.109 -3.918 1.00 0.00 C ATOM 189 C LEU A 15 3.508 -8.321 -3.688 1.00 0.00 C ATOM 190 O LEU A 15 2.421 -8.405 -4.256 1.00 0.00 O ATOM 191 CB LEU A 15 5.577 -7.014 -2.930 1.00 0.00 C ATOM 192 CG LEU A 15 6.465 -5.776 -3.056 1.00 0.00 C ATOM 193 CD1 LEU A 15 7.784 -5.967 -2.305 1.00 0.00 C ATOM 194 CD2 LEU A 15 6.690 -5.409 -4.525 1.00 0.00 C ATOM 0 H LEU A 15 3.660 -5.383 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 15 4.868 -7.233 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.172 -7.045 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.202 -7.899 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 15 5.948 -4.937 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.396 -5.071 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.579 -6.143 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.318 -6.823 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.325 -4.525 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.175 -6.240 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.731 -5.200 -4.999 1.00 0.00 H new ATOM 206 N ASN A 16 3.990 -9.229 -2.852 1.00 0.00 N ATOM 207 CA ASN A 16 3.333 -10.513 -2.684 1.00 0.00 C ATOM 208 C ASN A 16 2.257 -10.394 -1.604 1.00 0.00 C ATOM 209 O ASN A 16 2.202 -11.208 -0.682 1.00 0.00 O ATOM 210 CB ASN A 16 4.329 -11.588 -2.241 1.00 0.00 C ATOM 211 CG ASN A 16 5.636 -11.483 -3.029 1.00 0.00 C ATOM 212 OD1 ASN A 16 5.703 -11.780 -4.212 1.00 0.00 O ATOM 213 ND2 ASN A 16 6.666 -11.045 -2.313 1.00 0.00 N ATOM 0 H ASN A 16 4.827 -9.100 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 16 2.898 -10.796 -3.642 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.533 -11.483 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.891 -12.576 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.582 -10.939 -2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.541 -10.814 -1.327 1.00 0.00 H new ATOM 220 N GLY A 17 1.425 -9.372 -1.752 1.00 0.00 N ATOM 221 CA GLY A 17 0.289 -9.197 -0.865 1.00 0.00 C ATOM 222 C GLY A 17 0.006 -7.713 -0.623 1.00 0.00 C ATOM 223 O GLY A 17 0.474 -7.140 0.359 1.00 0.00 O ATOM 0 H GLY A 17 1.516 -8.657 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.591 -9.673 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.485 -9.693 0.085 1.00 0.00 H new ATOM 227 N GLY A 18 -0.760 -7.133 -1.535 1.00 0.00 N ATOM 228 CA GLY A 18 -1.156 -5.741 -1.405 1.00 0.00 C ATOM 229 C GLY A 18 -2.045 -5.312 -2.575 1.00 0.00 C ATOM 230 O GLY A 18 -1.991 -5.906 -3.650 1.00 0.00 O ATOM 0 H GLY A 18 -1.117 -7.602 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.690 -5.597 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.269 -5.109 -1.367 1.00 0.00 H new ATOM 234 N VAL A 19 -2.842 -4.284 -2.324 1.00 0.00 N ATOM 235 CA VAL A 19 -3.736 -3.764 -3.344 1.00 0.00 C ATOM 236 C VAL A 19 -3.289 -2.356 -3.740 1.00 0.00 C ATOM 237 O VAL A 19 -2.853 -1.578 -2.893 1.00 0.00 O ATOM 238 CB VAL A 19 -5.183 -3.814 -2.846 1.00 0.00 C ATOM 239 CG1 VAL A 19 -6.138 -3.214 -3.879 1.00 0.00 C ATOM 240 CG2 VAL A 19 -5.590 -5.244 -2.486 1.00 0.00 C ATOM 0 H VAL A 19 -2.887 -3.797 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.692 -4.382 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.248 -3.211 -1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.159 -3.262 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.868 -2.174 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.069 -3.778 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.622 -5.251 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.502 -5.880 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.937 -5.621 -1.699 1.00 0.00 H new ATOM 250 N CYS A 20 -3.411 -2.072 -5.028 1.00 0.00 N ATOM 251 CA CYS A 20 -2.908 -0.821 -5.569 1.00 0.00 C ATOM 252 C CYS A 20 -4.013 0.230 -5.457 1.00 0.00 C ATOM 253 O CYS A 20 -5.174 -0.049 -5.755 1.00 0.00 O ATOM 254 CB CYS A 20 -2.419 -0.983 -7.010 1.00 0.00 C ATOM 255 SG CYS A 20 -1.102 0.184 -7.511 1.00 0.00 S ATOM 0 H CYS A 20 -3.851 -2.687 -5.713 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.040 -0.497 -4.995 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.052 -2.001 -7.142 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.268 -0.861 -7.683 1.00 0.00 H new ATOM 260 N MET A 21 -3.615 1.419 -5.026 1.00 0.00 N ATOM 261 CA MET A 21 -4.523 2.552 -5.009 1.00 0.00 C ATOM 262 C MET A 21 -3.765 3.866 -5.209 1.00 0.00 C ATOM 263 O MET A 21 -2.534 3.883 -5.204 1.00 0.00 O ATOM 264 CB MET A 21 -5.267 2.590 -3.672 1.00 0.00 C ATOM 265 CG MET A 21 -4.410 3.243 -2.586 1.00 0.00 C ATOM 266 SD MET A 21 -5.331 3.347 -1.061 1.00 0.00 S ATOM 267 CE MET A 21 -6.696 4.367 -1.591 1.00 0.00 C ATOM 0 H MET A 21 -2.675 1.621 -4.686 1.00 0.00 H new ATOM 0 HA MET A 21 -5.233 2.436 -5.828 1.00 0.00 H new ATOM 0 HB2 MET A 21 -6.199 3.143 -3.786 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.532 1.577 -3.371 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.500 2.663 -2.432 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.103 4.239 -2.904 1.00 0.00 H new ATOM 0 HE1 MET A 21 -7.079 4.932 -0.741 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.356 5.058 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.488 3.735 -1.993 1.00 0.00 H new ATOM 277 N HIS A 22 -4.530 4.933 -5.380 1.00 0.00 N ATOM 278 CA HIS A 22 -3.954 6.215 -5.750 1.00 0.00 C ATOM 279 C HIS A 22 -4.234 7.240 -4.650 1.00 0.00 C ATOM 280 O HIS A 22 -5.267 7.175 -3.984 1.00 0.00 O ATOM 281 CB HIS A 22 -4.462 6.664 -7.122 1.00 0.00 C ATOM 282 CG HIS A 22 -3.630 7.751 -7.760 1.00 0.00 C ATOM 283 ND1 HIS A 22 -4.173 8.939 -8.215 1.00 0.00 N ATOM 284 CD2 HIS A 22 -2.292 7.817 -8.012 1.00 0.00 C ATOM 285 CE1 HIS A 22 -3.195 9.680 -8.718 1.00 0.00 C ATOM 286 NE2 HIS A 22 -2.031 8.981 -8.592 1.00 0.00 N ATOM 0 H HIS A 22 -5.544 4.937 -5.269 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.872 6.118 -5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.487 5.802 -7.788 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.488 7.018 -7.020 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.158 9.201 -8.171 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.567 7.051 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -3.302 10.664 -9.151 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.111 9.301 -8.894 1.00 0.00 H new ATOM 294 N ILE A 23 -3.297 8.163 -4.493 1.00 0.00 N ATOM 295 CA ILE A 23 -3.526 9.326 -3.652 1.00 0.00 C ATOM 296 C ILE A 23 -3.505 10.587 -4.516 1.00 0.00 C ATOM 297 O ILE A 23 -2.570 10.800 -5.287 1.00 0.00 O ATOM 298 CB ILE A 23 -2.524 9.356 -2.496 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.162 8.816 -2.936 1.00 0.00 C ATOM 300 CG2 ILE A 23 -3.070 8.609 -1.277 1.00 0.00 C ATOM 301 CD1 ILE A 23 -1.099 7.294 -2.781 1.00 0.00 C ATOM 0 H ILE A 23 -2.378 8.129 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.511 9.273 -3.189 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.378 10.394 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.978 9.087 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.374 9.279 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.338 8.646 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.997 9.078 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.264 7.570 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.120 6.936 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.259 7.028 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.872 6.833 -3.396 1.00 0.00 H new ATOM 313 N GLU A 24 -4.546 11.392 -4.360 1.00 0.00 N ATOM 314 CA GLU A 24 -4.701 12.583 -5.176 1.00 0.00 C ATOM 315 C GLU A 24 -4.093 13.795 -4.467 1.00 0.00 C ATOM 316 O GLU A 24 -3.952 14.861 -5.064 1.00 0.00 O ATOM 317 CB GLU A 24 -6.173 12.828 -5.515 1.00 0.00 C ATOM 318 CG GLU A 24 -6.708 11.742 -6.452 1.00 0.00 C ATOM 319 CD GLU A 24 -6.181 11.939 -7.875 1.00 0.00 C ATOM 320 OE1 GLU A 24 -5.716 13.036 -8.218 1.00 0.00 O ATOM 321 OE2 GLU A 24 -6.266 10.901 -8.636 1.00 0.00 O ATOM 0 H GLU A 24 -5.291 11.242 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.167 12.429 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.763 12.846 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.284 13.805 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.412 10.760 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.798 11.765 -6.457 1.00 0.00 H new ATOM 329 N SER A 25 -3.750 13.591 -3.205 1.00 0.00 N ATOM 330 CA SER A 25 -3.141 14.647 -2.415 1.00 0.00 C ATOM 331 C SER A 25 -1.728 14.936 -2.927 1.00 0.00 C ATOM 332 O SER A 25 -1.312 16.092 -2.990 1.00 0.00 O ATOM 333 CB SER A 25 -3.102 14.273 -0.931 1.00 0.00 C ATOM 334 OG SER A 25 -2.425 13.040 -0.709 1.00 0.00 O ATOM 0 H SER A 25 -3.882 12.710 -2.709 1.00 0.00 H new ATOM 0 HA SER A 25 -3.749 15.546 -2.519 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.606 15.065 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.120 14.202 -0.548 1.00 0.00 H new ATOM 0 HG SER A 25 -2.420 12.838 0.250 1.00 0.00 H new ATOM 340 N LEU A 26 -1.031 13.866 -3.278 1.00 0.00 N ATOM 341 CA LEU A 26 0.335 13.988 -3.757 1.00 0.00 C ATOM 342 C LEU A 26 0.425 13.426 -5.177 1.00 0.00 C ATOM 343 O LEU A 26 1.515 13.305 -5.733 1.00 0.00 O ATOM 344 CB LEU A 26 1.309 13.333 -2.774 1.00 0.00 C ATOM 345 CG LEU A 26 2.112 14.289 -1.889 1.00 0.00 C ATOM 346 CD1 LEU A 26 2.662 13.564 -0.660 1.00 0.00 C ATOM 347 CD2 LEU A 26 3.218 14.978 -2.691 1.00 0.00 C ATOM 0 H LEU A 26 -1.386 12.911 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 26 0.628 15.037 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.745 12.659 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.009 12.720 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 26 1.441 15.069 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.229 14.265 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.835 13.158 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.314 12.751 -0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.774 15.652 -2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.895 14.226 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.774 15.547 -3.508 1.00 0.00 H new ATOM 359 N ASP A 27 -0.736 13.098 -5.723 1.00 0.00 N ATOM 360 CA ASP A 27 -0.796 12.460 -7.028 1.00 0.00 C ATOM 361 C ASP A 27 0.118 11.232 -7.032 1.00 0.00 C ATOM 362 O ASP A 27 0.699 10.891 -8.060 1.00 0.00 O ATOM 363 CB ASP A 27 -0.318 13.409 -8.128 1.00 0.00 C ATOM 364 CG ASP A 27 -0.857 13.102 -9.526 1.00 0.00 C ATOM 365 OD1 ASP A 27 -2.077 13.034 -9.739 1.00 0.00 O ATOM 366 OD2 ASP A 27 0.044 12.927 -10.432 1.00 0.00 O ATOM 0 H ASP A 27 -1.643 13.262 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.832 12.180 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.605 14.426 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.771 13.383 -8.161 1.00 0.00 H new ATOM 372 N SER A 28 0.214 10.602 -5.871 1.00 0.00 N ATOM 373 CA SER A 28 1.119 9.477 -5.703 1.00 0.00 C ATOM 374 C SER A 28 0.367 8.163 -5.922 1.00 0.00 C ATOM 375 O SER A 28 -0.863 8.142 -5.930 1.00 0.00 O ATOM 376 CB SER A 28 1.766 9.493 -4.317 1.00 0.00 C ATOM 377 OG SER A 28 3.163 9.220 -4.376 1.00 0.00 O ATOM 0 H SER A 28 -0.320 10.849 -5.037 1.00 0.00 H new ATOM 0 HA SER A 28 1.912 9.563 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.606 10.467 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.279 8.754 -3.681 1.00 0.00 H new ATOM 0 HG SER A 28 3.539 9.241 -3.471 1.00 0.00 H new ATOM 383 N TYR A 29 1.138 7.100 -6.097 1.00 0.00 N ATOM 384 CA TYR A 29 0.561 5.773 -6.232 1.00 0.00 C ATOM 385 C TYR A 29 1.105 4.827 -5.159 1.00 0.00 C ATOM 386 O TYR A 29 2.307 4.572 -5.104 1.00 0.00 O ATOM 387 CB TYR A 29 0.992 5.265 -7.609 1.00 0.00 C ATOM 388 CG TYR A 29 0.490 6.120 -8.774 1.00 0.00 C ATOM 389 CD1 TYR A 29 1.092 7.329 -9.051 1.00 0.00 C ATOM 390 CD2 TYR A 29 -0.565 5.681 -9.547 1.00 0.00 C ATOM 391 CE1 TYR A 29 0.620 8.134 -10.148 1.00 0.00 C ATOM 392 CE2 TYR A 29 -1.039 6.487 -10.643 1.00 0.00 C ATOM 393 CZ TYR A 29 -0.422 7.674 -10.889 1.00 0.00 C ATOM 394 OH TYR A 29 -0.869 8.434 -11.924 1.00 0.00 O ATOM 0 H TYR A 29 2.156 7.130 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.523 5.812 -6.121 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.081 5.224 -7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.630 4.245 -7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.918 7.672 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.035 4.733 -9.331 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.084 9.082 -10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.865 6.156 -11.255 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.617 7.979 -12.365 1.00 0.00 H new ATOM 404 N THR A 30 0.194 4.334 -4.333 1.00 0.00 N ATOM 405 CA THR A 30 0.582 3.545 -3.177 1.00 0.00 C ATOM 406 C THR A 30 -0.048 2.152 -3.246 1.00 0.00 C ATOM 407 O THR A 30 -0.684 1.804 -4.239 1.00 0.00 O ATOM 408 CB THR A 30 0.192 4.326 -1.920 1.00 0.00 C ATOM 409 OG1 THR A 30 0.771 3.579 -0.854 1.00 0.00 O ATOM 410 CG2 THR A 30 -1.311 4.272 -1.639 1.00 0.00 C ATOM 0 H THR A 30 -0.812 4.466 -4.442 1.00 0.00 H new ATOM 0 HA THR A 30 1.659 3.380 -3.154 1.00 0.00 H new ATOM 0 HB THR A 30 0.504 5.365 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.748 3.625 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.533 4.842 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.854 4.700 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.618 3.236 -1.498 1.00 0.00 H new ATOM 418 N CYS A 31 0.152 1.395 -2.178 1.00 0.00 N ATOM 419 CA CYS A 31 -0.328 0.023 -2.133 1.00 0.00 C ATOM 420 C CYS A 31 -0.711 -0.305 -0.689 1.00 0.00 C ATOM 421 O CYS A 31 0.135 -0.280 0.203 1.00 0.00 O ATOM 422 CB CYS A 31 0.710 -0.957 -2.685 1.00 0.00 C ATOM 423 SG CYS A 31 0.594 -1.264 -4.485 1.00 0.00 S ATOM 0 H CYS A 31 0.639 1.704 -1.337 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.205 -0.080 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.706 -0.575 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.607 -1.907 -2.161 1.00 0.00 H new ATOM 428 N ASN A 32 -1.988 -0.604 -0.503 1.00 0.00 N ATOM 429 CA ASN A 32 -2.467 -1.075 0.786 1.00 0.00 C ATOM 430 C ASN A 32 -1.802 -2.413 1.114 1.00 0.00 C ATOM 431 O ASN A 32 -2.014 -3.403 0.416 1.00 0.00 O ATOM 432 CB ASN A 32 -3.981 -1.292 0.765 1.00 0.00 C ATOM 433 CG ASN A 32 -4.717 0.007 0.430 1.00 0.00 C ATOM 434 OD1 ASN A 32 -5.956 -0.173 -0.018 1.00 0.00 O flip ATOM 435 ND2 ASN A 32 -4.195 1.101 0.572 1.00 0.00 N flip ATOM 0 H ASN A 32 -2.706 -0.529 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.221 -0.321 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.232 -2.056 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.312 -1.662 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.239 1.168 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.715 1.948 0.342 1.00 0.00 H new ATOM 442 N CYS A 33 -1.011 -2.398 2.176 1.00 0.00 N ATOM 443 CA CYS A 33 -0.204 -3.555 2.524 1.00 0.00 C ATOM 444 C CYS A 33 -1.025 -4.453 3.452 1.00 0.00 C ATOM 445 O CYS A 33 -2.232 -4.266 3.593 1.00 0.00 O ATOM 446 CB CYS A 33 1.128 -3.147 3.157 1.00 0.00 C ATOM 447 SG CYS A 33 2.553 -4.195 2.689 1.00 0.00 S ATOM 0 H CYS A 33 -0.911 -1.603 2.807 1.00 0.00 H new ATOM 0 HA CYS A 33 0.053 -4.107 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.346 -2.116 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.020 -3.168 4.241 1.00 0.00 H new ATOM 452 N VAL A 34 -0.338 -5.409 4.059 1.00 0.00 N ATOM 453 CA VAL A 34 -1.013 -6.471 4.784 1.00 0.00 C ATOM 454 C VAL A 34 -0.265 -6.748 6.090 1.00 0.00 C ATOM 455 O VAL A 34 0.633 -5.995 6.466 1.00 0.00 O ATOM 456 CB VAL A 34 -1.145 -7.710 3.897 1.00 0.00 C ATOM 457 CG1 VAL A 34 -1.995 -7.411 2.660 1.00 0.00 C ATOM 458 CG2 VAL A 34 0.231 -8.248 3.500 1.00 0.00 C ATOM 0 H VAL A 34 0.680 -5.470 4.063 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.026 -6.167 5.048 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.654 -8.483 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.073 -8.309 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.991 -7.096 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.527 -6.615 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.109 -9.129 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.777 -7.481 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.789 -8.518 4.397 1.00 0.00 H new ATOM 468 N ILE A 35 -0.663 -7.829 6.745 1.00 0.00 N ATOM 469 CA ILE A 35 -0.155 -8.126 8.074 1.00 0.00 C ATOM 470 C ILE A 35 1.360 -8.327 8.004 1.00 0.00 C ATOM 471 O ILE A 35 1.864 -8.955 7.074 1.00 0.00 O ATOM 472 CB ILE A 35 -0.905 -9.316 8.678 1.00 0.00 C ATOM 473 CG1 ILE A 35 -2.418 -9.099 8.617 1.00 0.00 C ATOM 474 CG2 ILE A 35 -0.424 -9.599 10.103 1.00 0.00 C ATOM 475 CD1 ILE A 35 -3.165 -10.244 9.302 1.00 0.00 C ATOM 0 H ILE A 35 -1.330 -8.509 6.381 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.335 -7.288 8.747 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.683 -10.200 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.673 -8.155 9.098 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.736 -9.023 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.972 -10.449 10.510 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.642 -9.828 10.089 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.598 -8.722 10.727 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.239 -10.064 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.927 -11.184 8.803 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.863 -10.302 10.348 1.00 0.00 H new ATOM 487 N GLY A 36 2.044 -7.780 8.998 1.00 0.00 N ATOM 488 CA GLY A 36 3.490 -7.892 9.061 1.00 0.00 C ATOM 489 C GLY A 36 4.129 -7.504 7.726 1.00 0.00 C ATOM 490 O GLY A 36 5.202 -7.999 7.381 1.00 0.00 O ATOM 0 H GLY A 36 1.623 -7.258 9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.874 -7.249 9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.768 -8.914 9.318 1.00 0.00 H new ATOM 494 N TYR A 37 3.444 -6.624 7.012 1.00 0.00 N ATOM 495 CA TYR A 37 3.904 -6.206 5.700 1.00 0.00 C ATOM 496 C TYR A 37 3.587 -4.729 5.453 1.00 0.00 C ATOM 497 O TYR A 37 2.430 -4.318 5.531 1.00 0.00 O ATOM 498 CB TYR A 37 3.131 -7.056 4.690 1.00 0.00 C ATOM 499 CG TYR A 37 3.918 -8.253 4.153 1.00 0.00 C ATOM 500 CD1 TYR A 37 5.014 -8.049 3.339 1.00 0.00 C ATOM 501 CD2 TYR A 37 3.532 -9.536 4.482 1.00 0.00 C ATOM 502 CE1 TYR A 37 5.755 -9.174 2.834 1.00 0.00 C ATOM 503 CE2 TYR A 37 4.273 -10.662 3.976 1.00 0.00 C ATOM 504 CZ TYR A 37 5.348 -10.426 3.177 1.00 0.00 C ATOM 505 OH TYR A 37 6.047 -11.490 2.699 1.00 0.00 O ATOM 0 H TYR A 37 2.574 -6.189 7.318 1.00 0.00 H new ATOM 0 HA TYR A 37 4.983 -6.333 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.216 -7.417 5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.833 -6.425 3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.315 -7.044 3.081 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.674 -9.696 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.615 -9.028 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.982 -11.672 4.225 1.00 0.00 H new ATOM 0 HH TYR A 37 5.643 -12.321 3.027 1.00 0.00 H new ATOM 515 N SER A 38 4.633 -3.972 5.159 1.00 0.00 N ATOM 516 CA SER A 38 4.479 -2.554 4.881 1.00 0.00 C ATOM 517 C SER A 38 5.647 -2.058 4.028 1.00 0.00 C ATOM 518 O SER A 38 6.435 -2.856 3.523 1.00 0.00 O ATOM 519 CB SER A 38 4.386 -1.746 6.177 1.00 0.00 C ATOM 520 OG SER A 38 3.681 -2.448 7.195 1.00 0.00 O ATOM 0 H SER A 38 5.592 -4.314 5.107 1.00 0.00 H new ATOM 0 HA SER A 38 3.550 -2.412 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.390 -1.509 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.886 -0.798 5.978 1.00 0.00 H new ATOM 0 HG SER A 38 3.645 -1.899 8.006 1.00 0.00 H new ATOM 526 N GLY A 39 5.722 -0.743 3.892 1.00 0.00 N ATOM 527 CA GLY A 39 6.786 -0.129 3.116 1.00 0.00 C ATOM 528 C GLY A 39 6.255 0.412 1.787 1.00 0.00 C ATOM 529 O GLY A 39 6.971 0.422 0.786 1.00 0.00 O ATOM 0 H GLY A 39 5.063 -0.084 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.237 0.682 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.571 -0.861 2.927 1.00 0.00 H new ATOM 533 N ASP A 40 5.004 0.848 1.820 1.00 0.00 N ATOM 534 CA ASP A 40 4.369 1.388 0.631 1.00 0.00 C ATOM 535 C ASP A 40 3.900 0.236 -0.260 1.00 0.00 C ATOM 536 O ASP A 40 2.707 0.098 -0.526 1.00 0.00 O ATOM 537 CB ASP A 40 5.347 2.241 -0.177 1.00 0.00 C ATOM 538 CG ASP A 40 4.698 3.309 -1.059 1.00 0.00 C ATOM 539 OD1 ASP A 40 3.467 3.353 -1.209 1.00 0.00 O ATOM 540 OD2 ASP A 40 5.521 4.133 -1.614 1.00 0.00 O ATOM 0 H ASP A 40 4.414 0.838 2.652 1.00 0.00 H new ATOM 0 HA ASP A 40 3.529 2.006 0.949 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.035 2.730 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.943 1.583 -0.809 1.00 0.00 H new ATOM 546 N ARG A 41 4.863 -0.563 -0.695 1.00 0.00 N ATOM 547 CA ARG A 41 4.562 -1.709 -1.537 1.00 0.00 C ATOM 548 C ARG A 41 4.253 -2.934 -0.673 1.00 0.00 C ATOM 549 O ARG A 41 3.110 -3.387 -0.619 1.00 0.00 O ATOM 550 CB ARG A 41 5.732 -2.031 -2.468 1.00 0.00 C ATOM 551 CG ARG A 41 6.149 -0.798 -3.271 1.00 0.00 C ATOM 552 CD ARG A 41 7.174 -1.166 -4.347 1.00 0.00 C ATOM 553 NE ARG A 41 8.377 -1.756 -3.720 1.00 0.00 N ATOM 554 CZ ARG A 41 9.324 -1.040 -3.077 1.00 0.00 C ATOM 555 NH1 ARG A 41 9.184 0.269 -2.986 1.00 0.00 N ATOM 556 NH2 ARG A 41 10.398 -1.654 -2.536 1.00 0.00 N ATOM 0 H ARG A 41 5.853 -0.440 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 41 3.691 -1.457 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.578 -2.392 -1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.449 -2.834 -3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.272 -0.349 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.572 -0.049 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.736 -1.874 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.449 -0.279 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 41 8.499 -2.767 -3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.370 0.725 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.890 0.825 -2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.498 -2.666 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.109 -1.106 -2.052 1.00 0.00 H new ATOM 569 N CYS A 42 5.291 -3.436 -0.021 1.00 0.00 N ATOM 570 CA CYS A 42 5.133 -4.560 0.885 1.00 0.00 C ATOM 571 C CYS A 42 6.484 -5.269 1.011 1.00 0.00 C ATOM 572 O CYS A 42 6.548 -6.496 0.985 1.00 0.00 O ATOM 573 CB CYS A 42 4.030 -5.511 0.420 1.00 0.00 C ATOM 574 SG CYS A 42 2.389 -5.213 1.174 1.00 0.00 S ATOM 0 H CYS A 42 6.245 -3.085 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 42 4.820 -4.199 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.936 -5.433 -0.663 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.335 -6.534 0.641 1.00 0.00 H new ATOM 579 N GLN A 43 7.528 -4.465 1.145 1.00 0.00 N ATOM 580 CA GLN A 43 8.882 -4.991 1.138 1.00 0.00 C ATOM 581 C GLN A 43 9.357 -5.251 2.569 1.00 0.00 C ATOM 582 O GLN A 43 10.244 -6.073 2.793 1.00 0.00 O ATOM 583 CB GLN A 43 9.835 -4.042 0.408 1.00 0.00 C ATOM 584 CG GLN A 43 9.934 -2.698 1.134 1.00 0.00 C ATOM 585 CD GLN A 43 9.089 -1.633 0.432 1.00 0.00 C ATOM 586 OE1 GLN A 43 7.990 -1.884 -0.033 1.00 0.00 O ATOM 587 NE2 GLN A 43 9.663 -0.435 0.382 1.00 0.00 N ATOM 0 H GLN A 43 7.464 -3.453 1.259 1.00 0.00 H new ATOM 0 HA GLN A 43 8.881 -5.938 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.824 -4.496 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.485 -3.883 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.599 -2.812 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 43 10.975 -2.376 1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.586 -0.294 0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.180 0.344 -0.066 1.00 0.00 H new ATOM 596 N THR A 44 8.745 -4.535 3.501 1.00 0.00 N ATOM 597 CA THR A 44 9.142 -4.626 4.896 1.00 0.00 C ATOM 598 C THR A 44 8.300 -5.676 5.623 1.00 0.00 C ATOM 599 O THR A 44 7.186 -5.390 6.060 1.00 0.00 O ATOM 600 CB THR A 44 9.034 -3.229 5.510 1.00 0.00 C ATOM 601 OG1 THR A 44 9.942 -2.442 4.744 1.00 0.00 O ATOM 602 CG2 THR A 44 9.596 -3.169 6.932 1.00 0.00 C ATOM 0 H THR A 44 7.977 -3.889 3.317 1.00 0.00 H new ATOM 0 HA THR A 44 10.175 -4.960 4.992 1.00 0.00 H new ATOM 0 HB THR A 44 7.990 -2.917 5.519 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.934 -1.519 5.074 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.495 -2.156 7.321 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.045 -3.859 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.649 -3.449 6.919 1.00 0.00 H new ATOM 610 N ARG A 45 8.864 -6.870 5.731 1.00 0.00 N ATOM 611 CA ARG A 45 8.215 -7.942 6.465 1.00 0.00 C ATOM 612 C ARG A 45 8.361 -7.717 7.972 1.00 0.00 C ATOM 613 O ARG A 45 9.280 -8.245 8.595 1.00 0.00 O ATOM 614 CB ARG A 45 8.811 -9.302 6.099 1.00 0.00 C ATOM 615 CG ARG A 45 8.232 -9.817 4.780 1.00 0.00 C ATOM 616 CD ARG A 45 9.177 -10.827 4.125 1.00 0.00 C ATOM 617 NE ARG A 45 10.406 -10.144 3.663 1.00 0.00 N ATOM 618 CZ ARG A 45 10.474 -9.374 2.557 1.00 0.00 C ATOM 619 NH1 ARG A 45 9.398 -9.237 1.805 1.00 0.00 N ATOM 620 NH2 ARG A 45 11.626 -8.753 2.224 1.00 0.00 N ATOM 0 H ARG A 45 9.765 -7.118 5.322 1.00 0.00 H new ATOM 0 HA ARG A 45 7.159 -7.937 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.895 -9.218 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.607 -10.019 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.264 -10.284 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.061 -8.981 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 45 9.433 -11.612 4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.680 -11.309 3.283 1.00 0.00 H new ATOM 0 HE ARG A 45 11.255 -10.263 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.532 -9.710 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.433 -8.658 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.453 -8.864 2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.669 -8.173 1.386 1.00 0.00 H new ATOM 633 N ASP A 46 7.441 -6.932 8.513 1.00 0.00 N ATOM 634 CA ASP A 46 7.481 -6.595 9.926 1.00 0.00 C ATOM 635 C ASP A 46 7.291 -7.869 10.753 1.00 0.00 C ATOM 636 O ASP A 46 7.897 -8.021 11.812 1.00 0.00 O ATOM 637 CB ASP A 46 6.359 -5.622 10.293 1.00 0.00 C ATOM 638 CG ASP A 46 6.827 -4.230 10.721 1.00 0.00 C ATOM 639 OD1 ASP A 46 6.989 -3.326 9.889 1.00 0.00 O ATOM 640 OD2 ASP A 46 7.030 -4.090 11.988 1.00 0.00 O ATOM 0 H ASP A 46 6.663 -6.519 7.998 1.00 0.00 H new ATOM 0 HA ASP A 46 8.444 -6.129 10.135 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.694 -5.518 9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.771 -6.056 11.102 1.00 0.00 H new ATOM 646 N LEU A 47 6.445 -8.750 10.239 1.00 0.00 N ATOM 647 CA LEU A 47 6.135 -9.984 10.939 1.00 0.00 C ATOM 648 C LEU A 47 6.041 -11.129 9.929 1.00 0.00 C ATOM 649 O LEU A 47 6.422 -10.971 8.770 1.00 0.00 O ATOM 650 CB LEU A 47 4.877 -9.813 11.794 1.00 0.00 C ATOM 651 CG LEU A 47 5.064 -9.970 13.303 1.00 0.00 C ATOM 652 CD1 LEU A 47 5.532 -11.385 13.654 1.00 0.00 C ATOM 653 CD2 LEU A 47 6.011 -8.901 13.852 1.00 0.00 C ATOM 0 H LEU A 47 5.965 -8.633 9.347 1.00 0.00 H new ATOM 0 HA LEU A 47 6.934 -10.238 11.635 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.462 -8.824 11.601 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.135 -10.540 11.463 1.00 0.00 H new ATOM 0 HG LEU A 47 4.097 -9.822 13.784 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.657 -11.470 14.733 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.789 -12.108 13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.483 -11.586 13.162 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.127 -9.035 14.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.983 -8.993 13.368 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.598 -7.912 13.652 1.00 0.00 H new ATOM 665 N ARG A 48 5.531 -12.256 10.405 1.00 0.00 N ATOM 666 CA ARG A 48 5.368 -13.421 9.552 1.00 0.00 C ATOM 667 C ARG A 48 4.102 -14.187 9.940 1.00 0.00 C ATOM 668 O ARG A 48 4.163 -15.374 10.256 1.00 0.00 O ATOM 669 CB ARG A 48 6.575 -14.356 9.660 1.00 0.00 C ATOM 670 CG ARG A 48 6.648 -15.297 8.456 1.00 0.00 C ATOM 671 CD ARG A 48 7.684 -16.399 8.684 1.00 0.00 C ATOM 672 NE ARG A 48 7.228 -17.308 9.758 1.00 0.00 N ATOM 673 CZ ARG A 48 8.036 -18.164 10.419 1.00 0.00 C ATOM 674 NH1 ARG A 48 9.312 -18.224 10.088 1.00 0.00 N ATOM 675 NH2 ARG A 48 7.546 -18.945 11.405 1.00 0.00 N ATOM 0 H ARG A 48 5.226 -12.387 11.369 1.00 0.00 H new ATOM 0 HA ARG A 48 5.285 -13.071 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.491 -13.768 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.507 -14.939 10.578 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.670 -15.744 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.906 -14.730 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.839 -16.960 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.644 -15.957 8.953 1.00 0.00 H new ATOM 0 HE ARG A 48 6.241 -17.287 10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.674 -17.629 9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.936 -18.865 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.559 -18.891 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.163 -19.589 11.900 1.00 0.00 H new ATOM 688 N TRP A 49 2.983 -13.479 9.902 1.00 0.00 N ATOM 689 CA TRP A 49 1.713 -14.063 10.294 1.00 0.00 C ATOM 690 C TRP A 49 1.177 -14.869 9.109 1.00 0.00 C ATOM 691 O TRP A 49 0.175 -14.495 8.502 1.00 0.00 O ATOM 692 CB TRP A 49 0.738 -12.985 10.773 1.00 0.00 C ATOM 693 CG TRP A 49 -0.670 -13.505 11.066 1.00 0.00 C ATOM 694 CD1 TRP A 49 -1.733 -13.513 10.250 1.00 0.00 C ATOM 695 CD2 TRP A 49 -1.129 -14.096 12.301 1.00 0.00 C ATOM 696 NE1 TRP A 49 -2.839 -14.064 10.865 1.00 0.00 N ATOM 697 CE2 TRP A 49 -2.459 -14.430 12.151 1.00 0.00 C ATOM 698 CE3 TRP A 49 -0.442 -14.341 13.502 1.00 0.00 C ATOM 699 CZ2 TRP A 49 -3.217 -15.027 13.166 1.00 0.00 C ATOM 700 CZ3 TRP A 49 -1.214 -14.938 14.506 1.00 0.00 C ATOM 701 CH2 TRP A 49 -2.554 -15.280 14.372 1.00 0.00 C ATOM 0 H TRP A 49 2.930 -12.505 9.605 1.00 0.00 H new ATOM 0 HA TRP A 49 1.844 -14.735 11.142 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.138 -12.523 11.675 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.675 -12.204 10.015 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.725 -13.136 9.238 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.764 -14.181 10.452 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.599 -14.089 13.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.258 -15.279 13.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.734 -15.147 15.451 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.082 -15.739 15.195 1.00 0.00 H new ATOM 712 N TRP A 50 1.869 -15.960 8.816 1.00 0.00 N ATOM 713 CA TRP A 50 1.458 -16.838 7.734 1.00 0.00 C ATOM 714 C TRP A 50 2.048 -18.224 8.000 1.00 0.00 C ATOM 715 O TRP A 50 1.316 -19.210 8.074 1.00 0.00 O ATOM 716 CB TRP A 50 1.870 -16.264 6.376 1.00 0.00 C ATOM 717 CG TRP A 50 1.862 -14.736 6.318 1.00 0.00 C ATOM 718 CD1 TRP A 50 2.843 -13.892 6.667 1.00 0.00 C ATOM 719 CD2 TRP A 50 0.777 -13.898 5.869 1.00 0.00 C ATOM 720 NE1 TRP A 50 2.471 -12.577 6.477 1.00 0.00 N ATOM 721 CE2 TRP A 50 1.175 -12.580 5.976 1.00 0.00 C ATOM 722 CE3 TRP A 50 -0.499 -14.241 5.389 1.00 0.00 C ATOM 723 CZ2 TRP A 50 0.356 -11.501 5.620 1.00 0.00 C ATOM 724 CZ3 TRP A 50 -1.304 -13.151 5.038 1.00 0.00 C ATOM 725 CH2 TRP A 50 -0.919 -11.820 5.139 1.00 0.00 C ATOM 0 H TRP A 50 2.711 -16.256 9.309 1.00 0.00 H new ATOM 0 HA TRP A 50 0.372 -16.923 7.697 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.870 -16.621 6.130 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.197 -16.650 5.611 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.804 -14.202 7.049 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.042 -11.754 6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.832 -15.264 5.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.690 -10.478 5.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.295 -13.360 4.662 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.601 -11.035 4.848 1.00 0.00 H new ATOM 736 N GLU A 51 3.365 -18.256 8.136 1.00 0.00 N ATOM 737 CA GLU A 51 4.066 -19.512 8.346 1.00 0.00 C ATOM 738 C GLU A 51 4.324 -19.733 9.838 1.00 0.00 C ATOM 739 O GLU A 51 4.776 -18.826 10.535 1.00 0.00 O ATOM 740 CB GLU A 51 5.373 -19.549 7.552 1.00 0.00 C ATOM 741 CG GLU A 51 5.173 -18.994 6.140 1.00 0.00 C ATOM 742 CD GLU A 51 4.127 -19.807 5.375 1.00 0.00 C ATOM 743 OE1 GLU A 51 4.310 -21.016 5.170 1.00 0.00 O ATOM 744 OE2 GLU A 51 3.093 -19.139 4.990 1.00 0.00 O ATOM 0 H GLU A 51 3.966 -17.432 8.105 1.00 0.00 H new ATOM 0 HA GLU A 51 3.435 -20.323 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.134 -18.967 8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.739 -20.574 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.859 -17.952 6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.120 -19.013 5.600 1.00 0.00 H new ATOM 752 N LEU A 52 4.025 -20.945 10.284 1.00 0.00 N ATOM 753 CA LEU A 52 4.217 -21.296 11.680 1.00 0.00 C ATOM 754 C LEU A 52 4.331 -22.816 11.807 1.00 0.00 C ATOM 755 O LEU A 52 5.332 -23.327 12.309 1.00 0.00 O ATOM 756 CB LEU A 52 3.108 -20.689 12.542 1.00 0.00 C ATOM 757 CG LEU A 52 3.524 -20.223 13.939 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.387 -19.464 14.625 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.019 -21.399 14.784 1.00 0.00 C ATOM 0 H LEU A 52 3.651 -21.695 9.703 1.00 0.00 H new ATOM 0 HA LEU A 52 5.149 -20.873 12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.684 -19.838 12.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.313 -21.427 12.648 1.00 0.00 H new ATOM 0 HG LEU A 52 4.357 -19.528 13.833 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.709 -19.144 15.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.122 -18.590 14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.519 -20.116 14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.308 -21.041 15.772 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.222 -22.136 14.884 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.880 -21.859 14.298 1.00 0.00 H new ATOM 771 N ARG A 53 3.293 -23.497 11.345 1.00 0.00 N ATOM 772 CA ARG A 53 3.267 -24.949 11.396 1.00 0.00 C ATOM 773 C ARG A 53 3.388 -25.431 12.843 1.00 0.00 C ATOM 774 O ARG A 53 3.011 -24.718 13.772 1.00 0.00 O ATOM 775 CB ARG A 53 4.405 -25.550 10.569 1.00 0.00 C ATOM 776 CG ARG A 53 4.029 -26.936 10.043 1.00 0.00 C ATOM 777 CD ARG A 53 3.591 -26.866 8.578 1.00 0.00 C ATOM 778 NE ARG A 53 2.404 -25.993 8.445 1.00 0.00 N ATOM 779 CZ ARG A 53 1.138 -26.395 8.690 1.00 0.00 C ATOM 780 NH1 ARG A 53 0.926 -27.639 9.078 1.00 0.00 N ATOM 781 NH2 ARG A 53 0.106 -25.538 8.541 1.00 0.00 N ATOM 782 OXT ARG A 53 3.901 -26.606 12.986 1.00 0.00 O ATOM 0 H ARG A 53 2.463 -23.070 10.933 1.00 0.00 H new ATOM 0 HA ARG A 53 2.316 -25.278 10.977 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.639 -24.891 9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.305 -25.621 11.180 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.881 -27.609 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.223 -27.352 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.406 -26.482 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.360 -27.866 8.211 1.00 0.00 H new ATOM 0 HE ARG A 53 2.551 -25.028 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.712 -28.280 9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.024 -27.959 9.267 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.279 -24.579 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.847 -25.850 8.728 1.00 0.00 H new TER 796 ARG A 53