USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 143:sc= -11.6! USER MOD Set 1.2: A 77 TYR OH : rot -164:sc= -5.55! USER MOD Single : A 1 ALA N :NH3+ 150:sc= 0.0475 (180deg=-0.0576) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 82:sc= -3.79! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.596 K(o=-0.6,f=-4.5!) USER MOD Single : A 22 SER OG : rot -172:sc= -0.248! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.64! C(o=-5.6!,f=-7!) USER MOD Single : A 35 HIS : no HD1:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.11! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 64 THR OG1 : rot 33:sc= -2.74! USER MOD Single : A 65 TYR OH : rot -118:sc= -0.782! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.47! C(o=-3.4!,f=-2.5!) USER MOD Single : A 82 THR OG1 : rot 1:sc= -7.47! USER MOD Single : A 87 ASN : amide:sc= -4.24! C(o=-4.2!,f=-5.6!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.246 -9.434 -0.520 1.00 0.00 N ATOM 2 CA ALA A 1 -17.245 -9.628 -1.607 1.00 0.00 C ATOM 3 C ALA A 1 -15.837 -9.541 -1.024 1.00 0.00 C ATOM 4 O ALA A 1 -15.353 -8.482 -0.683 1.00 0.00 O ATOM 5 CB ALA A 1 -17.426 -8.542 -2.670 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.104 -8.996 -0.912 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.488 -10.355 -0.102 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.846 -8.815 0.214 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.390 -10.608 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.693 -8.685 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.431 -8.605 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.283 -7.561 -2.216 1.00 0.00 H new ATOM 13 N ASP A 2 -15.175 -10.654 -0.914 1.00 0.00 N ATOM 14 CA ASP A 2 -13.801 -10.651 -0.359 1.00 0.00 C ATOM 15 C ASP A 2 -13.721 -9.745 0.878 1.00 0.00 C ATOM 16 O ASP A 2 -12.863 -8.892 0.966 1.00 0.00 O ATOM 17 CB ASP A 2 -12.844 -10.137 -1.431 1.00 0.00 C ATOM 18 CG ASP A 2 -11.460 -9.996 -0.821 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.290 -10.451 0.295 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.596 -9.436 -1.474 1.00 0.00 O ATOM 0 H ASP A 2 -15.530 -11.571 -1.187 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.529 -11.664 -0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.817 -10.826 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.187 -9.176 -1.815 1.00 0.00 H new ATOM 25 N PRO A 3 -14.593 -9.976 1.824 1.00 0.00 N ATOM 26 CA PRO A 3 -14.591 -9.215 3.079 1.00 0.00 C ATOM 27 C PRO A 3 -13.530 -9.818 4.005 1.00 0.00 C ATOM 28 O PRO A 3 -13.377 -9.422 5.144 1.00 0.00 O ATOM 29 CB PRO A 3 -15.990 -9.455 3.650 1.00 0.00 C ATOM 30 CG PRO A 3 -16.494 -10.774 3.016 1.00 0.00 C ATOM 31 CD PRO A 3 -15.661 -10.996 1.738 1.00 0.00 C ATOM 0 HA PRO A 3 -14.370 -8.155 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.959 -9.532 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.657 -8.627 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.372 -11.608 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.556 -10.709 2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.248 -12.004 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.265 -10.866 0.840 1.00 0.00 H new ATOM 39 N GLU A 4 -12.828 -10.816 3.525 1.00 0.00 N ATOM 40 CA GLU A 4 -11.812 -11.499 4.370 1.00 0.00 C ATOM 41 C GLU A 4 -10.600 -11.934 3.539 1.00 0.00 C ATOM 42 O GLU A 4 -9.794 -12.726 3.984 1.00 0.00 O ATOM 43 CB GLU A 4 -12.462 -12.749 4.925 1.00 0.00 C ATOM 44 CG GLU A 4 -12.080 -12.928 6.396 1.00 0.00 C ATOM 45 CD GLU A 4 -10.708 -13.597 6.486 1.00 0.00 C ATOM 46 OE1 GLU A 4 -10.612 -14.759 6.128 1.00 0.00 O ATOM 47 OE2 GLU A 4 -9.775 -12.935 6.911 1.00 0.00 O ATOM 0 H GLU A 4 -12.919 -11.185 2.579 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.475 -10.817 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.545 -12.679 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.146 -13.619 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.059 -11.961 6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.827 -13.536 6.906 1.00 0.00 H new ATOM 54 N LYS A 5 -10.458 -11.441 2.345 1.00 0.00 N ATOM 55 CA LYS A 5 -9.300 -11.851 1.515 1.00 0.00 C ATOM 56 C LYS A 5 -8.834 -10.636 0.734 1.00 0.00 C ATOM 57 O LYS A 5 -8.443 -10.724 -0.412 1.00 0.00 O ATOM 58 CB LYS A 5 -9.718 -12.956 0.541 1.00 0.00 C ATOM 59 CG LYS A 5 -10.779 -13.854 1.188 1.00 0.00 C ATOM 60 CD LYS A 5 -10.103 -14.828 2.154 1.00 0.00 C ATOM 61 CE LYS A 5 -10.113 -16.234 1.549 1.00 0.00 C ATOM 62 NZ LYS A 5 -11.035 -17.106 2.331 1.00 0.00 N ATOM 0 H LYS A 5 -11.093 -10.773 1.909 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.499 -12.232 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.113 -12.515 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.849 -13.551 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.510 -13.246 1.721 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.322 -14.405 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.078 -14.511 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.624 -14.828 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.432 -16.191 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.106 -16.652 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.042 -18.061 1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.711 -17.156 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.996 -16.710 2.301 1.00 0.00 H new ATOM 76 N SER A 6 -8.898 -9.495 1.350 1.00 0.00 N ATOM 77 CA SER A 6 -8.483 -8.257 0.643 1.00 0.00 C ATOM 78 C SER A 6 -7.252 -7.680 1.328 1.00 0.00 C ATOM 79 O SER A 6 -7.301 -7.242 2.459 1.00 0.00 O ATOM 80 CB SER A 6 -9.608 -7.227 0.708 1.00 0.00 C ATOM 81 OG SER A 6 -10.848 -7.858 0.426 1.00 0.00 O ATOM 0 H SER A 6 -9.218 -9.365 2.310 1.00 0.00 H new ATOM 0 HA SER A 6 -8.260 -8.493 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.638 -6.768 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.424 -6.427 -0.009 1.00 0.00 H new ATOM 0 HG SER A 6 -11.187 -8.290 1.238 1.00 0.00 H new ATOM 87 N TYR A 7 -6.143 -7.683 0.648 1.00 0.00 N ATOM 88 CA TYR A 7 -4.898 -7.140 1.268 1.00 0.00 C ATOM 89 C TYR A 7 -4.064 -6.368 0.238 1.00 0.00 C ATOM 90 O TYR A 7 -3.969 -6.744 -0.913 1.00 0.00 O ATOM 91 CB TYR A 7 -4.066 -8.297 1.823 1.00 0.00 C ATOM 92 CG TYR A 7 -3.785 -9.294 0.725 1.00 0.00 C ATOM 93 CD1 TYR A 7 -4.809 -10.122 0.249 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.498 -9.393 0.183 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.547 -11.048 -0.767 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.235 -10.319 -0.833 1.00 0.00 C ATOM 97 CZ TYR A 7 -3.258 -11.146 -1.308 1.00 0.00 C ATOM 98 OH TYR A 7 -3.000 -12.059 -2.311 1.00 0.00 O ATOM 0 H TYR A 7 -6.041 -8.035 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.179 -6.457 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.129 -7.920 2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.600 -8.782 2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.802 -10.046 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.708 -8.754 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.337 -11.686 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.242 -10.395 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.058 -11.998 -2.575 1.00 0.00 H new ATOM 108 N ALA A 8 -3.443 -5.296 0.661 1.00 0.00 N ATOM 109 CA ALA A 8 -2.589 -4.496 -0.265 1.00 0.00 C ATOM 110 C ALA A 8 -1.162 -4.479 0.277 1.00 0.00 C ATOM 111 O ALA A 8 -0.921 -4.045 1.386 1.00 0.00 O ATOM 112 CB ALA A 8 -3.107 -3.060 -0.347 1.00 0.00 C ATOM 0 H ALA A 8 -3.492 -4.939 1.615 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.615 -4.943 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.477 -2.484 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.132 -3.064 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.082 -2.607 0.644 1.00 0.00 H new ATOM 118 N GLU A 9 -0.209 -4.948 -0.480 1.00 0.00 N ATOM 119 CA GLU A 9 1.190 -4.949 0.034 1.00 0.00 C ATOM 120 C GLU A 9 2.159 -4.567 -1.083 1.00 0.00 C ATOM 121 O GLU A 9 1.995 -4.946 -2.230 1.00 0.00 O ATOM 122 CB GLU A 9 1.539 -6.344 0.556 1.00 0.00 C ATOM 123 CG GLU A 9 0.941 -7.401 -0.375 1.00 0.00 C ATOM 124 CD GLU A 9 1.022 -8.775 0.293 1.00 0.00 C ATOM 125 OE1 GLU A 9 0.444 -8.930 1.356 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.660 -9.649 -0.271 1.00 0.00 O ATOM 0 H GLU A 9 -0.334 -5.326 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 9 1.274 -4.222 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.621 -6.463 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.152 -6.473 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.097 -7.156 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.480 -7.413 -1.322 1.00 0.00 H new ATOM 133 N GLY A 10 3.164 -3.804 -0.756 1.00 0.00 N ATOM 134 CA GLY A 10 4.145 -3.396 -1.789 1.00 0.00 C ATOM 135 C GLY A 10 5.423 -2.885 -1.129 1.00 0.00 C ATOM 136 O GLY A 10 5.476 -2.716 0.073 1.00 0.00 O ATOM 0 H GLY A 10 3.345 -3.447 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.375 -4.242 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.717 -2.618 -2.421 1.00 0.00 H new ATOM 140 N PRO A 11 6.402 -2.597 -1.951 1.00 0.00 N ATOM 141 CA PRO A 11 7.682 -2.032 -1.496 1.00 0.00 C ATOM 142 C PRO A 11 7.501 -0.525 -1.257 1.00 0.00 C ATOM 143 O PRO A 11 8.447 0.202 -1.029 1.00 0.00 O ATOM 144 CB PRO A 11 8.629 -2.294 -2.670 1.00 0.00 C ATOM 145 CG PRO A 11 7.733 -2.462 -3.922 1.00 0.00 C ATOM 146 CD PRO A 11 6.325 -2.820 -3.410 1.00 0.00 C ATOM 0 HA PRO A 11 8.055 -2.462 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.326 -1.466 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.226 -3.189 -2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.710 -1.543 -4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.120 -3.246 -4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.562 -2.191 -3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.068 -3.854 -3.642 1.00 0.00 H new ATOM 154 N GLY A 12 6.276 -0.065 -1.313 1.00 0.00 N ATOM 155 CA GLY A 12 5.976 1.375 -1.101 1.00 0.00 C ATOM 156 C GLY A 12 5.098 1.499 0.140 1.00 0.00 C ATOM 157 O GLY A 12 4.459 0.556 0.517 1.00 0.00 O ATOM 0 H GLY A 12 5.457 -0.644 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.899 1.941 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.466 1.790 -1.971 1.00 0.00 H new ATOM 161 N LEU A 13 5.070 2.646 0.771 1.00 0.00 N ATOM 162 CA LEU A 13 4.219 2.834 1.995 1.00 0.00 C ATOM 163 C LEU A 13 5.005 2.472 3.246 1.00 0.00 C ATOM 164 O LEU A 13 4.569 2.698 4.356 1.00 0.00 O ATOM 165 CB LEU A 13 2.924 2.012 1.869 1.00 0.00 C ATOM 166 CG LEU A 13 2.923 0.704 2.705 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.792 0.758 3.726 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.685 -0.498 1.785 1.00 0.00 C ATOM 0 H LEU A 13 5.603 3.469 0.491 1.00 0.00 H new ATOM 0 HA LEU A 13 3.936 3.883 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.082 2.630 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.766 1.761 0.820 1.00 0.00 H new ATOM 0 HG LEU A 13 3.885 0.604 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.789 -0.159 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.939 1.612 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.839 0.860 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.685 -1.414 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.723 -0.389 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.478 -0.548 1.039 1.00 0.00 H new ATOM 180 N ASP A 14 6.174 1.943 3.073 1.00 0.00 N ATOM 181 CA ASP A 14 7.007 1.602 4.255 1.00 0.00 C ATOM 182 C ASP A 14 7.461 2.900 4.905 1.00 0.00 C ATOM 183 O ASP A 14 7.910 2.931 6.032 1.00 0.00 O ATOM 184 CB ASP A 14 8.243 0.852 3.806 1.00 0.00 C ATOM 185 CG ASP A 14 7.869 -0.175 2.737 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.346 -1.215 3.100 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.114 0.096 1.573 1.00 0.00 O ATOM 0 H ASP A 14 6.592 1.731 2.167 1.00 0.00 H new ATOM 0 HA ASP A 14 6.429 0.990 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.979 1.551 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.705 0.352 4.657 1.00 0.00 H new ATOM 192 N GLY A 15 7.348 3.972 4.179 1.00 0.00 N ATOM 193 CA GLY A 15 7.772 5.295 4.717 1.00 0.00 C ATOM 194 C GLY A 15 9.290 5.390 4.738 1.00 0.00 C ATOM 195 O GLY A 15 9.969 5.069 3.782 1.00 0.00 O ATOM 0 H GLY A 15 6.978 3.992 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.358 6.095 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.378 5.430 5.724 1.00 0.00 H new ATOM 199 N GLY A 16 9.820 5.825 5.842 1.00 0.00 N ATOM 200 CA GLY A 16 11.300 5.949 5.978 1.00 0.00 C ATOM 201 C GLY A 16 11.872 7.011 5.041 1.00 0.00 C ATOM 202 O GLY A 16 12.509 7.948 5.479 1.00 0.00 O ATOM 0 H GLY A 16 9.288 6.104 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.550 6.202 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.766 4.987 5.764 1.00 0.00 H new ATOM 206 N GLU A 17 11.697 6.865 3.758 1.00 0.00 N ATOM 207 CA GLU A 17 12.294 7.869 2.837 1.00 0.00 C ATOM 208 C GLU A 17 11.272 8.414 1.842 1.00 0.00 C ATOM 209 O GLU A 17 10.428 7.704 1.332 1.00 0.00 O ATOM 210 CB GLU A 17 13.415 7.213 2.051 1.00 0.00 C ATOM 211 CG GLU A 17 14.611 6.952 2.969 1.00 0.00 C ATOM 212 CD GLU A 17 14.754 5.448 3.210 1.00 0.00 C ATOM 213 OE1 GLU A 17 13.924 4.898 3.914 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.694 4.872 2.686 1.00 0.00 O ATOM 0 H GLU A 17 11.176 6.109 3.314 1.00 0.00 H new ATOM 0 HA GLU A 17 12.661 8.697 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.067 6.275 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.714 7.855 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.521 7.346 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.474 7.471 3.918 1.00 0.00 H new ATOM 221 N CYS A 18 11.369 9.679 1.564 1.00 0.00 N ATOM 222 CA CYS A 18 10.427 10.324 0.589 1.00 0.00 C ATOM 223 C CYS A 18 10.995 10.213 -0.828 1.00 0.00 C ATOM 224 O CYS A 18 10.278 10.331 -1.802 1.00 0.00 O ATOM 225 CB CYS A 18 10.254 11.825 0.886 1.00 0.00 C ATOM 226 SG CYS A 18 8.835 12.097 1.985 1.00 0.00 S ATOM 0 H CYS A 18 12.063 10.307 1.969 1.00 0.00 H new ATOM 0 HA CYS A 18 9.469 9.813 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.160 12.217 1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.110 12.372 -0.046 1.00 0.00 H new ATOM 0 HG CYS A 18 9.104 13.066 2.809 1.00 0.00 H new ATOM 232 N PHE A 19 12.279 10.019 -0.958 1.00 0.00 N ATOM 233 CA PHE A 19 12.872 9.940 -2.330 1.00 0.00 C ATOM 234 C PHE A 19 12.843 8.512 -2.837 1.00 0.00 C ATOM 235 O PHE A 19 13.422 8.187 -3.855 1.00 0.00 O ATOM 236 CB PHE A 19 14.298 10.491 -2.325 1.00 0.00 C ATOM 237 CG PHE A 19 14.180 11.986 -2.343 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.352 12.592 -3.291 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.841 12.760 -1.388 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.173 13.972 -3.277 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.672 14.147 -1.385 1.00 0.00 C ATOM 242 CZ PHE A 19 13.831 14.747 -2.324 1.00 0.00 C ATOM 0 H PHE A 19 12.938 9.913 -0.187 1.00 0.00 H new ATOM 0 HA PHE A 19 12.274 10.551 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.840 10.156 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.854 10.136 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.851 11.990 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.480 12.289 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.526 14.441 -4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.191 14.754 -0.658 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.690 15.818 -2.312 1.00 0.00 H new ATOM 252 N GLN A 20 12.123 7.671 -2.167 1.00 0.00 N ATOM 253 CA GLN A 20 11.992 6.279 -2.638 1.00 0.00 C ATOM 254 C GLN A 20 10.657 6.203 -3.367 1.00 0.00 C ATOM 255 O GLN A 20 9.741 6.930 -3.036 1.00 0.00 O ATOM 256 CB GLN A 20 11.992 5.318 -1.446 1.00 0.00 C ATOM 257 CG GLN A 20 13.260 4.463 -1.475 1.00 0.00 C ATOM 258 CD GLN A 20 12.886 2.995 -1.260 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.371 2.351 -2.153 1.00 0.00 O ATOM 260 NE2 GLN A 20 13.123 2.435 -0.105 1.00 0.00 N ATOM 0 H GLN A 20 11.617 7.890 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 20 12.820 5.999 -3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.942 5.880 -0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.110 4.679 -1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.772 4.584 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.951 4.791 -0.699 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.555 2.975 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.876 1.457 0.048 1.00 0.00 H new ATOM 269 N PRO A 21 10.572 5.348 -4.335 1.00 0.00 N ATOM 270 CA PRO A 21 9.340 5.197 -5.112 1.00 0.00 C ATOM 271 C PRO A 21 8.288 4.534 -4.237 1.00 0.00 C ATOM 272 O PRO A 21 8.535 3.507 -3.634 1.00 0.00 O ATOM 273 CB PRO A 21 9.759 4.311 -6.290 1.00 0.00 C ATOM 274 CG PRO A 21 11.041 3.573 -5.839 1.00 0.00 C ATOM 275 CD PRO A 21 11.666 4.440 -4.728 1.00 0.00 C ATOM 0 HA PRO A 21 8.905 6.134 -5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.971 3.602 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.948 4.911 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.806 2.575 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.733 3.449 -6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.003 3.832 -3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.533 4.992 -5.091 1.00 0.00 H new ATOM 283 N SER A 22 7.118 5.103 -4.134 1.00 0.00 N ATOM 284 CA SER A 22 6.103 4.472 -3.274 1.00 0.00 C ATOM 285 C SER A 22 5.083 3.788 -4.164 1.00 0.00 C ATOM 286 O SER A 22 4.304 4.432 -4.832 1.00 0.00 O ATOM 287 CB SER A 22 5.425 5.571 -2.489 1.00 0.00 C ATOM 288 OG SER A 22 5.314 5.178 -1.129 1.00 0.00 O ATOM 0 H SER A 22 6.833 5.963 -4.603 1.00 0.00 H new ATOM 0 HA SER A 22 6.550 3.742 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.998 6.495 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.437 5.773 -2.903 1.00 0.00 H new ATOM 0 HG SER A 22 4.766 5.830 -0.644 1.00 0.00 H new ATOM 294 N LYS A 23 5.085 2.485 -4.182 1.00 0.00 N ATOM 295 CA LYS A 23 4.122 1.758 -5.038 1.00 0.00 C ATOM 296 C LYS A 23 3.797 0.404 -4.425 1.00 0.00 C ATOM 297 O LYS A 23 4.664 -0.305 -3.960 1.00 0.00 O ATOM 298 CB LYS A 23 4.734 1.522 -6.416 1.00 0.00 C ATOM 299 CG LYS A 23 5.548 2.739 -6.864 1.00 0.00 C ATOM 300 CD LYS A 23 5.694 2.723 -8.387 1.00 0.00 C ATOM 301 CE LYS A 23 6.259 1.374 -8.832 1.00 0.00 C ATOM 302 NZ LYS A 23 6.396 1.360 -10.316 1.00 0.00 N ATOM 0 H LYS A 23 5.715 1.895 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 23 3.215 2.357 -5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.374 0.640 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.945 1.320 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.055 3.657 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.531 2.725 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.726 2.897 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.354 3.529 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.228 1.201 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.601 0.567 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.780 0.443 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.463 1.507 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.040 2.121 -10.612 1.00 0.00 H new ATOM 316 N PHE A 24 2.551 0.038 -4.438 1.00 0.00 N ATOM 317 CA PHE A 24 2.158 -1.286 -3.871 1.00 0.00 C ATOM 318 C PHE A 24 1.092 -1.918 -4.754 1.00 0.00 C ATOM 319 O PHE A 24 0.403 -1.242 -5.501 1.00 0.00 O ATOM 320 CB PHE A 24 1.611 -1.156 -2.441 1.00 0.00 C ATOM 321 CG PHE A 24 1.644 0.275 -1.993 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.870 0.924 -1.866 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.454 0.949 -1.709 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.916 2.252 -1.454 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.500 2.281 -1.294 1.00 0.00 C ATOM 326 CZ PHE A 24 1.736 2.930 -1.168 1.00 0.00 C ATOM 0 H PHE A 24 1.784 0.594 -4.815 1.00 0.00 H new ATOM 0 HA PHE A 24 3.050 -1.911 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.589 -1.532 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.203 -1.769 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.786 0.396 -2.088 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.495 0.443 -1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.866 2.756 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.415 2.810 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.772 3.961 -0.848 1.00 0.00 H new ATOM 336 N LYS A 25 0.948 -3.210 -4.671 1.00 0.00 N ATOM 337 CA LYS A 25 -0.075 -3.892 -5.502 1.00 0.00 C ATOM 338 C LYS A 25 -1.123 -4.482 -4.568 1.00 0.00 C ATOM 339 O LYS A 25 -0.812 -4.949 -3.487 1.00 0.00 O ATOM 340 CB LYS A 25 0.585 -5.011 -6.311 1.00 0.00 C ATOM 341 CG LYS A 25 1.680 -4.419 -7.199 1.00 0.00 C ATOM 342 CD LYS A 25 1.989 -5.387 -8.344 1.00 0.00 C ATOM 343 CE LYS A 25 3.458 -5.807 -8.273 1.00 0.00 C ATOM 344 NZ LYS A 25 3.543 -7.276 -8.035 1.00 0.00 N ATOM 0 H LYS A 25 1.495 -3.821 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.538 -3.187 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.010 -5.758 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.160 -5.520 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.358 -3.457 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.580 -4.235 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.345 -6.264 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.781 -4.912 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.967 -5.548 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.963 -5.268 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.542 -7.563 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.072 -7.510 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.075 -7.782 -8.814 1.00 0.00 H new ATOM 358 N ILE A 26 -2.367 -4.433 -4.948 1.00 0.00 N ATOM 359 CA ILE A 26 -3.420 -4.958 -4.050 1.00 0.00 C ATOM 360 C ILE A 26 -4.068 -6.192 -4.660 1.00 0.00 C ATOM 361 O ILE A 26 -4.167 -6.333 -5.860 1.00 0.00 O ATOM 362 CB ILE A 26 -4.468 -3.874 -3.834 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.747 -2.525 -3.699 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.259 -4.187 -2.560 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.635 -1.516 -2.974 1.00 0.00 C ATOM 0 H ILE A 26 -2.695 -4.054 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.976 -5.240 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.161 -3.834 -4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.814 -2.657 -3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.485 -2.145 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.011 -3.414 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.749 -5.155 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.580 -4.215 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.109 -0.565 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.556 -1.371 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.874 -1.891 -1.979 1.00 0.00 H new ATOM 377 N HIS A 27 -4.498 -7.091 -3.827 1.00 0.00 N ATOM 378 CA HIS A 27 -5.134 -8.333 -4.329 1.00 0.00 C ATOM 379 C HIS A 27 -6.388 -8.651 -3.521 1.00 0.00 C ATOM 380 O HIS A 27 -6.338 -8.878 -2.321 1.00 0.00 O ATOM 381 CB HIS A 27 -4.151 -9.493 -4.197 1.00 0.00 C ATOM 382 CG HIS A 27 -2.785 -9.014 -4.581 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.144 -8.009 -3.882 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.937 -9.369 -5.598 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.966 -7.790 -4.482 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.785 -8.593 -5.534 1.00 0.00 N ATOM 0 H HIS A 27 -4.435 -7.018 -2.812 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.409 -8.190 -5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.145 -9.868 -3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.455 -10.320 -4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.133 -10.133 -6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.249 -7.052 -4.154 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.023 -8.629 -6.156 1.00 0.00 H new ATOM 394 N ALA A 28 -7.511 -8.675 -4.178 1.00 0.00 N ATOM 395 CA ALA A 28 -8.783 -8.996 -3.475 1.00 0.00 C ATOM 396 C ALA A 28 -9.219 -10.421 -3.837 1.00 0.00 C ATOM 397 O ALA A 28 -9.148 -10.820 -4.977 1.00 0.00 O ATOM 398 CB ALA A 28 -9.866 -8.015 -3.920 1.00 0.00 C ATOM 0 H ALA A 28 -7.604 -8.485 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.634 -8.919 -2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.800 -8.247 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.559 -6.998 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.013 -8.099 -4.997 1.00 0.00 H new ATOM 404 N VAL A 29 -9.678 -11.188 -2.884 1.00 0.00 N ATOM 405 CA VAL A 29 -10.132 -12.575 -3.199 1.00 0.00 C ATOM 406 C VAL A 29 -11.564 -12.751 -2.688 1.00 0.00 C ATOM 407 O VAL A 29 -11.855 -12.544 -1.528 1.00 0.00 O ATOM 408 CB VAL A 29 -9.198 -13.601 -2.540 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.942 -14.923 -2.304 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.008 -13.859 -3.465 1.00 0.00 C ATOM 0 H VAL A 29 -9.758 -10.916 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.106 -12.737 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.856 -13.207 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.268 -15.641 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.796 -14.748 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.290 -15.320 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.340 -14.587 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.366 -14.248 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.469 -12.927 -3.633 1.00 0.00 H new ATOM 420 N ASP A 30 -12.453 -13.134 -3.555 1.00 0.00 N ATOM 421 CA ASP A 30 -13.871 -13.331 -3.150 1.00 0.00 C ATOM 422 C ASP A 30 -14.109 -14.837 -2.969 1.00 0.00 C ATOM 423 O ASP A 30 -13.177 -15.613 -3.042 1.00 0.00 O ATOM 424 CB ASP A 30 -14.776 -12.739 -4.240 1.00 0.00 C ATOM 425 CG ASP A 30 -15.117 -13.796 -5.298 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.243 -14.580 -5.629 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.248 -13.803 -5.757 1.00 0.00 O ATOM 0 H ASP A 30 -12.257 -13.322 -4.538 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.098 -12.828 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.693 -12.359 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.278 -11.892 -4.713 1.00 0.00 H new ATOM 432 N PRO A 31 -15.336 -15.212 -2.725 1.00 0.00 N ATOM 433 CA PRO A 31 -15.690 -16.624 -2.517 1.00 0.00 C ATOM 434 C PRO A 31 -15.812 -17.378 -3.849 1.00 0.00 C ATOM 435 O PRO A 31 -16.449 -18.410 -3.918 1.00 0.00 O ATOM 436 CB PRO A 31 -17.045 -16.551 -1.809 1.00 0.00 C ATOM 437 CG PRO A 31 -17.645 -15.167 -2.154 1.00 0.00 C ATOM 438 CD PRO A 31 -16.478 -14.281 -2.629 1.00 0.00 C ATOM 0 HA PRO A 31 -14.934 -17.164 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.702 -17.353 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.927 -16.665 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.403 -15.258 -2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.133 -14.729 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.696 -13.817 -3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.277 -13.475 -1.924 1.00 0.00 H new ATOM 446 N ASP A 32 -15.215 -16.890 -4.908 1.00 0.00 N ATOM 447 CA ASP A 32 -15.329 -17.622 -6.202 1.00 0.00 C ATOM 448 C ASP A 32 -13.932 -17.948 -6.735 1.00 0.00 C ATOM 449 O ASP A 32 -13.764 -18.297 -7.888 1.00 0.00 O ATOM 450 CB ASP A 32 -16.072 -16.747 -7.216 1.00 0.00 C ATOM 451 CG ASP A 32 -16.202 -17.496 -8.544 1.00 0.00 C ATOM 452 OD1 ASP A 32 -16.067 -18.708 -8.534 1.00 0.00 O ATOM 453 OD2 ASP A 32 -16.434 -16.844 -9.549 1.00 0.00 O ATOM 0 H ASP A 32 -14.664 -16.032 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.880 -18.550 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.060 -16.490 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.534 -15.811 -7.366 1.00 0.00 H new ATOM 458 N GLY A 33 -12.924 -17.809 -5.917 1.00 0.00 N ATOM 459 CA GLY A 33 -11.541 -18.076 -6.392 1.00 0.00 C ATOM 460 C GLY A 33 -11.196 -16.944 -7.337 1.00 0.00 C ATOM 461 O GLY A 33 -10.510 -17.110 -8.326 1.00 0.00 O ATOM 0 H GLY A 33 -13.001 -17.522 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.842 -18.113 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.482 -19.039 -6.899 1.00 0.00 H new ATOM 465 N VAL A 34 -11.718 -15.788 -7.041 1.00 0.00 N ATOM 466 CA VAL A 34 -11.493 -14.615 -7.911 1.00 0.00 C ATOM 467 C VAL A 34 -11.536 -13.353 -7.054 1.00 0.00 C ATOM 468 O VAL A 34 -12.013 -13.370 -5.938 1.00 0.00 O ATOM 469 CB VAL A 34 -12.617 -14.554 -8.955 1.00 0.00 C ATOM 470 CG1 VAL A 34 -12.058 -14.031 -10.273 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.205 -15.954 -9.171 1.00 0.00 C ATOM 0 H VAL A 34 -12.298 -15.609 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.527 -14.692 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.401 -13.886 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.856 -13.987 -11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.647 -13.033 -10.123 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.271 -14.698 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.002 -15.903 -9.913 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.423 -16.627 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.608 -16.328 -8.230 1.00 0.00 H new ATOM 481 N HIS A 35 -11.066 -12.255 -7.569 1.00 0.00 N ATOM 482 CA HIS A 35 -11.116 -11.001 -6.777 1.00 0.00 C ATOM 483 C HIS A 35 -12.509 -10.405 -6.951 1.00 0.00 C ATOM 484 O HIS A 35 -12.683 -9.289 -7.401 1.00 0.00 O ATOM 485 CB HIS A 35 -10.039 -10.028 -7.269 1.00 0.00 C ATOM 486 CG HIS A 35 -8.769 -10.787 -7.573 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.618 -10.654 -6.808 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.450 -11.682 -8.566 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.676 -11.450 -7.347 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.132 -12.100 -8.420 1.00 0.00 N ATOM 0 H HIS A 35 -10.652 -12.172 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.923 -11.198 -5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.386 -9.507 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.848 -9.268 -6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.123 -12.012 -9.344 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.673 -11.551 -6.959 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.623 -12.761 -9.007 1.00 0.00 H new ATOM 498 N ARG A 36 -13.503 -11.177 -6.608 1.00 0.00 N ATOM 499 CA ARG A 36 -14.910 -10.734 -6.749 1.00 0.00 C ATOM 500 C ARG A 36 -15.216 -10.542 -8.228 1.00 0.00 C ATOM 501 O ARG A 36 -15.518 -9.454 -8.673 1.00 0.00 O ATOM 502 CB ARG A 36 -15.131 -9.419 -6.009 1.00 0.00 C ATOM 503 CG ARG A 36 -16.633 -9.219 -5.815 1.00 0.00 C ATOM 504 CD ARG A 36 -16.937 -7.731 -5.633 1.00 0.00 C ATOM 505 NE ARG A 36 -18.410 -7.515 -5.715 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.884 -6.448 -6.298 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.696 -5.274 -5.760 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.547 -6.553 -7.417 1.00 0.00 N ATOM 0 H ARG A 36 -13.391 -12.117 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.570 -11.488 -6.321 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.624 -9.437 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.708 -8.590 -6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -17.175 -9.608 -6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.974 -9.779 -4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.560 -7.386 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.429 -7.148 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 36 -19.048 -8.202 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.179 -5.191 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.066 -4.439 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.696 -7.470 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.917 -5.718 -7.871 1.00 0.00 H new ATOM 522 N THR A 37 -15.130 -11.591 -8.999 1.00 0.00 N ATOM 523 CA THR A 37 -15.405 -11.452 -10.454 1.00 0.00 C ATOM 524 C THR A 37 -14.602 -10.256 -10.986 1.00 0.00 C ATOM 525 O THR A 37 -15.056 -9.131 -10.926 1.00 0.00 O ATOM 526 CB THR A 37 -16.899 -11.200 -10.667 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.635 -12.327 -10.211 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.175 -10.972 -12.154 1.00 0.00 C ATOM 0 H THR A 37 -14.883 -12.530 -8.687 1.00 0.00 H new ATOM 0 HA THR A 37 -15.117 -12.362 -10.981 1.00 0.00 H new ATOM 0 HB THR A 37 -17.203 -10.316 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.593 -12.168 -10.344 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.240 -10.793 -12.303 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.609 -10.107 -12.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.873 -11.853 -12.719 1.00 0.00 H new ATOM 536 N ASP A 38 -13.409 -10.483 -11.484 1.00 0.00 N ATOM 537 CA ASP A 38 -12.581 -9.350 -11.996 1.00 0.00 C ATOM 538 C ASP A 38 -13.467 -8.347 -12.734 1.00 0.00 C ATOM 539 O ASP A 38 -14.513 -8.689 -13.248 1.00 0.00 O ATOM 540 CB ASP A 38 -11.514 -9.887 -12.951 1.00 0.00 C ATOM 541 CG ASP A 38 -10.194 -9.155 -12.705 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.243 -7.983 -12.369 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.157 -9.780 -12.854 1.00 0.00 O ATOM 0 H ASP A 38 -12.976 -11.403 -11.557 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.101 -8.851 -11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.382 -10.958 -12.800 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.832 -9.748 -13.984 1.00 0.00 H new ATOM 548 N GLY A 39 -13.060 -7.109 -12.781 1.00 0.00 N ATOM 549 CA GLY A 39 -13.885 -6.084 -13.477 1.00 0.00 C ATOM 550 C GLY A 39 -14.924 -5.512 -12.505 1.00 0.00 C ATOM 551 O GLY A 39 -15.230 -4.337 -12.535 1.00 0.00 O ATOM 0 H GLY A 39 -12.193 -6.764 -12.368 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.247 -5.285 -13.855 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.384 -6.528 -14.338 1.00 0.00 H new ATOM 555 N GLY A 40 -15.479 -6.330 -11.645 1.00 0.00 N ATOM 556 CA GLY A 40 -16.500 -5.817 -10.687 1.00 0.00 C ATOM 557 C GLY A 40 -15.962 -5.879 -9.254 1.00 0.00 C ATOM 558 O GLY A 40 -16.654 -6.282 -8.341 1.00 0.00 O ATOM 0 H GLY A 40 -15.269 -7.325 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.763 -4.790 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.412 -6.408 -10.766 1.00 0.00 H new ATOM 562 N ASP A 41 -14.739 -5.472 -9.043 1.00 0.00 N ATOM 563 CA ASP A 41 -14.174 -5.502 -7.662 1.00 0.00 C ATOM 564 C ASP A 41 -14.339 -4.122 -7.026 1.00 0.00 C ATOM 565 O ASP A 41 -13.722 -3.164 -7.446 1.00 0.00 O ATOM 566 CB ASP A 41 -12.682 -5.856 -7.714 1.00 0.00 C ATOM 567 CG ASP A 41 -12.454 -6.961 -8.747 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.428 -7.563 -9.166 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.308 -7.184 -9.102 1.00 0.00 O ATOM 0 H ASP A 41 -14.108 -5.121 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.701 -6.253 -7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.097 -4.974 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.341 -6.186 -6.732 1.00 0.00 H new ATOM 574 N GLY A 42 -15.156 -4.009 -6.013 1.00 0.00 N ATOM 575 CA GLY A 42 -15.335 -2.684 -5.352 1.00 0.00 C ATOM 576 C GLY A 42 -14.036 -2.321 -4.636 1.00 0.00 C ATOM 577 O GLY A 42 -13.992 -2.184 -3.431 1.00 0.00 O ATOM 0 H GLY A 42 -15.704 -4.772 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.586 -1.923 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.161 -2.723 -4.642 1.00 0.00 H new ATOM 581 N PHE A 43 -12.970 -2.191 -5.376 1.00 0.00 N ATOM 582 CA PHE A 43 -11.659 -1.867 -4.758 1.00 0.00 C ATOM 583 C PHE A 43 -11.378 -0.368 -4.863 1.00 0.00 C ATOM 584 O PHE A 43 -11.072 0.144 -5.921 1.00 0.00 O ATOM 585 CB PHE A 43 -10.565 -2.630 -5.505 1.00 0.00 C ATOM 586 CG PHE A 43 -9.763 -3.477 -4.545 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.460 -3.006 -3.262 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.307 -4.736 -4.952 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.700 -3.799 -2.392 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.550 -5.525 -4.084 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.244 -5.057 -2.803 1.00 0.00 C ATOM 0 H PHE A 43 -12.953 -2.297 -6.390 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.677 -2.152 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.013 -3.263 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.907 -1.927 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.811 -2.035 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.542 -5.099 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.465 -3.439 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.201 -6.496 -4.402 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.657 -5.665 -2.131 1.00 0.00 H new ATOM 601 N VAL A 44 -11.443 0.332 -3.766 1.00 0.00 N ATOM 602 CA VAL A 44 -11.138 1.792 -3.797 1.00 0.00 C ATOM 603 C VAL A 44 -9.903 2.035 -2.926 1.00 0.00 C ATOM 604 O VAL A 44 -9.928 1.846 -1.726 1.00 0.00 O ATOM 605 CB VAL A 44 -12.346 2.627 -3.293 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.371 1.733 -2.594 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.888 3.722 -2.312 1.00 0.00 C ATOM 0 H VAL A 44 -11.693 -0.041 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.941 2.108 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.805 3.093 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.208 2.340 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.733 0.979 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.903 1.242 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.753 4.293 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.400 3.260 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.187 4.389 -2.813 1.00 0.00 H new ATOM 617 N VAL A 45 -8.824 2.449 -3.523 1.00 0.00 N ATOM 618 CA VAL A 45 -7.591 2.701 -2.734 1.00 0.00 C ATOM 619 C VAL A 45 -7.193 4.159 -2.889 1.00 0.00 C ATOM 620 O VAL A 45 -7.477 4.787 -3.889 1.00 0.00 O ATOM 621 CB VAL A 45 -6.461 1.813 -3.242 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.379 1.689 -2.164 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.008 0.428 -3.583 1.00 0.00 C ATOM 0 H VAL A 45 -8.743 2.624 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.779 2.476 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.028 2.259 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.572 1.054 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.984 2.678 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.810 1.247 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.197 -0.204 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.446 -0.020 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.771 0.518 -4.356 1.00 0.00 H new ATOM 633 N THR A 46 -6.537 4.707 -1.912 1.00 0.00 N ATOM 634 CA THR A 46 -6.128 6.127 -2.021 1.00 0.00 C ATOM 635 C THR A 46 -4.996 6.432 -1.042 1.00 0.00 C ATOM 636 O THR A 46 -5.067 6.130 0.134 1.00 0.00 O ATOM 637 CB THR A 46 -7.321 7.037 -1.721 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.356 6.277 -1.112 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.834 7.652 -3.024 1.00 0.00 C ATOM 0 H THR A 46 -6.268 4.237 -1.048 1.00 0.00 H new ATOM 0 HA THR A 46 -5.777 6.310 -3.037 1.00 0.00 H new ATOM 0 HB THR A 46 -7.010 7.832 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.119 6.860 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.684 8.300 -2.811 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.039 8.236 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.145 6.858 -3.703 1.00 0.00 H new ATOM 647 N ILE A 47 -3.965 7.054 -1.530 1.00 0.00 N ATOM 648 CA ILE A 47 -2.818 7.431 -0.663 1.00 0.00 C ATOM 649 C ILE A 47 -2.583 8.922 -0.769 1.00 0.00 C ATOM 650 O ILE A 47 -2.900 9.545 -1.762 1.00 0.00 O ATOM 651 CB ILE A 47 -1.531 6.727 -1.115 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.442 5.329 -0.483 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.306 7.576 -0.711 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.009 5.072 -0.066 1.00 0.00 C ATOM 0 H ILE A 47 -3.866 7.322 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.057 7.137 0.359 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.545 6.616 -2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.102 5.262 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.771 4.571 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.607 7.074 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.369 8.555 -1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.290 7.699 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.088 4.083 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.654 5.124 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.319 5.826 0.658 1.00 0.00 H new ATOM 666 N GLU A 48 -1.969 9.491 0.221 1.00 0.00 N ATOM 667 CA GLU A 48 -1.659 10.933 0.114 1.00 0.00 C ATOM 668 C GLU A 48 -0.725 11.367 1.245 1.00 0.00 C ATOM 669 O GLU A 48 -0.714 10.800 2.323 1.00 0.00 O ATOM 670 CB GLU A 48 -2.950 11.755 0.162 1.00 0.00 C ATOM 671 CG GLU A 48 -4.013 11.006 0.970 1.00 0.00 C ATOM 672 CD GLU A 48 -5.084 11.992 1.441 1.00 0.00 C ATOM 673 OE1 GLU A 48 -5.268 12.998 0.776 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.702 11.723 2.458 1.00 0.00 O ATOM 0 H GLU A 48 -1.674 9.032 1.082 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.159 11.108 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.756 12.728 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.312 11.940 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.466 10.225 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.554 10.514 1.828 1.00 0.00 H new ATOM 681 N GLY A 49 0.058 12.377 0.986 1.00 0.00 N ATOM 682 CA GLY A 49 1.011 12.896 2.006 1.00 0.00 C ATOM 683 C GLY A 49 1.302 14.367 1.692 1.00 0.00 C ATOM 684 O GLY A 49 0.640 14.959 0.863 1.00 0.00 O ATOM 0 H GLY A 49 0.078 12.873 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.587 12.798 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.934 12.316 1.993 1.00 0.00 H new ATOM 688 N PRO A 50 2.283 14.914 2.359 1.00 0.00 N ATOM 689 CA PRO A 50 2.679 16.319 2.162 1.00 0.00 C ATOM 690 C PRO A 50 3.489 16.468 0.870 1.00 0.00 C ATOM 691 O PRO A 50 4.682 16.698 0.895 1.00 0.00 O ATOM 692 CB PRO A 50 3.538 16.624 3.392 1.00 0.00 C ATOM 693 CG PRO A 50 4.047 15.261 3.916 1.00 0.00 C ATOM 694 CD PRO A 50 3.087 14.190 3.363 1.00 0.00 C ATOM 0 HA PRO A 50 1.832 16.998 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.372 17.276 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.955 17.141 4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.068 15.075 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.059 15.245 5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.632 13.359 2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.460 13.772 4.150 1.00 0.00 H new ATOM 702 N ALA A 51 2.846 16.336 -0.259 1.00 0.00 N ATOM 703 CA ALA A 51 3.572 16.466 -1.554 1.00 0.00 C ATOM 704 C ALA A 51 2.582 16.879 -2.650 1.00 0.00 C ATOM 705 O ALA A 51 1.403 17.023 -2.395 1.00 0.00 O ATOM 706 CB ALA A 51 4.209 15.123 -1.914 1.00 0.00 C ATOM 0 H ALA A 51 1.848 16.143 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 51 4.351 17.223 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.741 15.215 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.909 14.831 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.431 14.365 -2.007 1.00 0.00 H new ATOM 712 N PRO A 52 3.093 17.060 -3.842 1.00 0.00 N ATOM 713 CA PRO A 52 2.276 17.462 -5.002 1.00 0.00 C ATOM 714 C PRO A 52 1.491 16.264 -5.553 1.00 0.00 C ATOM 715 O PRO A 52 0.296 16.335 -5.755 1.00 0.00 O ATOM 716 CB PRO A 52 3.313 17.954 -6.016 1.00 0.00 C ATOM 717 CG PRO A 52 4.657 17.296 -5.622 1.00 0.00 C ATOM 718 CD PRO A 52 4.530 16.882 -4.144 1.00 0.00 C ATOM 0 HA PRO A 52 1.531 18.220 -4.759 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.027 17.675 -7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.392 19.041 -5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.863 16.429 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.484 17.993 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.845 15.850 -3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.153 17.504 -3.501 1.00 0.00 H new ATOM 726 N VAL A 53 2.153 15.168 -5.794 1.00 0.00 N ATOM 727 CA VAL A 53 1.445 13.968 -6.329 1.00 0.00 C ATOM 728 C VAL A 53 1.052 13.057 -5.159 1.00 0.00 C ATOM 729 O VAL A 53 1.686 12.052 -4.909 1.00 0.00 O ATOM 730 CB VAL A 53 2.380 13.203 -7.271 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.557 12.508 -8.356 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.359 14.181 -7.929 1.00 0.00 C ATOM 0 H VAL A 53 3.155 15.049 -5.644 1.00 0.00 H new ATOM 0 HA VAL A 53 0.554 14.279 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 53 2.935 12.459 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.223 11.964 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.859 11.810 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.001 13.253 -8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.023 13.635 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.802 14.926 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.949 14.679 -7.159 1.00 0.00 H new ATOM 742 N ASP A 54 0.030 13.408 -4.420 1.00 0.00 N ATOM 743 CA ASP A 54 -0.361 12.563 -3.258 1.00 0.00 C ATOM 744 C ASP A 54 -1.409 11.502 -3.657 1.00 0.00 C ATOM 745 O ASP A 54 -1.290 10.360 -3.262 1.00 0.00 O ATOM 746 CB ASP A 54 -0.912 13.461 -2.142 1.00 0.00 C ATOM 747 CG ASP A 54 0.208 14.367 -1.620 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.335 13.905 -1.549 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.082 15.507 -1.297 1.00 0.00 O ATOM 0 H ASP A 54 -0.545 14.237 -4.571 1.00 0.00 H new ATOM 0 HA ASP A 54 0.523 12.033 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.737 14.065 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.309 12.850 -1.331 1.00 0.00 H new ATOM 754 N PRO A 55 -2.413 11.898 -4.409 1.00 0.00 N ATOM 755 CA PRO A 55 -3.488 10.977 -4.839 1.00 0.00 C ATOM 756 C PRO A 55 -3.065 10.173 -6.076 1.00 0.00 C ATOM 757 O PRO A 55 -3.116 10.666 -7.185 1.00 0.00 O ATOM 758 CB PRO A 55 -4.635 11.923 -5.207 1.00 0.00 C ATOM 759 CG PRO A 55 -3.985 13.291 -5.530 1.00 0.00 C ATOM 760 CD PRO A 55 -2.582 13.282 -4.894 1.00 0.00 C ATOM 0 HA PRO A 55 -3.746 10.248 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.191 11.545 -6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.343 12.014 -4.383 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.919 13.442 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.585 14.108 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.814 13.546 -5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.510 14.001 -4.078 1.00 0.00 H new ATOM 768 N VAL A 56 -2.643 8.945 -5.907 1.00 0.00 N ATOM 769 CA VAL A 56 -2.224 8.147 -7.084 1.00 0.00 C ATOM 770 C VAL A 56 -2.695 6.701 -6.959 1.00 0.00 C ATOM 771 O VAL A 56 -2.024 5.876 -6.371 1.00 0.00 O ATOM 772 CB VAL A 56 -0.716 8.127 -7.138 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.273 7.610 -8.510 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.172 9.539 -6.916 1.00 0.00 C ATOM 0 H VAL A 56 -2.573 8.469 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.658 8.596 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.329 7.473 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.816 7.592 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.659 6.602 -8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.660 8.267 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.917 9.520 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.552 10.202 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.493 9.903 -5.940 1.00 0.00 H new ATOM 784 N MET A 57 -3.817 6.369 -7.520 1.00 0.00 N ATOM 785 CA MET A 57 -4.275 4.956 -7.434 1.00 0.00 C ATOM 786 C MET A 57 -4.899 4.522 -8.762 1.00 0.00 C ATOM 787 O MET A 57 -5.658 5.246 -9.375 1.00 0.00 O ATOM 788 CB MET A 57 -5.269 4.796 -6.282 1.00 0.00 C ATOM 789 CG MET A 57 -6.621 5.388 -6.677 1.00 0.00 C ATOM 790 SD MET A 57 -6.513 7.195 -6.676 1.00 0.00 S ATOM 791 CE MET A 57 -8.259 7.528 -7.020 1.00 0.00 C ATOM 0 H MET A 57 -4.433 7.003 -8.029 1.00 0.00 H new ATOM 0 HA MET A 57 -3.417 4.313 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.383 3.741 -6.032 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.890 5.296 -5.391 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.911 5.031 -7.665 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.392 5.059 -5.980 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.422 8.605 -7.064 1.00 0.00 H new ATOM 0 HE2 MET A 57 -8.533 7.080 -7.975 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.874 7.100 -6.228 1.00 0.00 H new ATOM 801 N VAL A 58 -4.560 3.341 -9.218 1.00 0.00 N ATOM 802 CA VAL A 58 -5.105 2.851 -10.517 1.00 0.00 C ATOM 803 C VAL A 58 -5.614 1.411 -10.371 1.00 0.00 C ATOM 804 O VAL A 58 -5.190 0.668 -9.501 1.00 0.00 O ATOM 805 CB VAL A 58 -4.014 2.868 -11.590 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.623 3.290 -12.929 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.904 3.850 -11.204 1.00 0.00 C ATOM 0 H VAL A 58 -3.928 2.696 -8.744 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.924 3.508 -10.808 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.588 1.868 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.847 3.302 -13.694 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.402 2.582 -13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.055 4.286 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.135 3.852 -11.976 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.322 4.852 -11.106 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.464 3.546 -10.254 1.00 0.00 H new ATOM 817 N ASP A 59 -6.509 1.013 -11.237 1.00 0.00 N ATOM 818 CA ASP A 59 -7.058 -0.371 -11.192 1.00 0.00 C ATOM 819 C ASP A 59 -6.554 -1.152 -12.412 1.00 0.00 C ATOM 820 O ASP A 59 -6.649 -0.694 -13.533 1.00 0.00 O ATOM 821 CB ASP A 59 -8.591 -0.302 -11.217 1.00 0.00 C ATOM 822 CG ASP A 59 -9.172 -1.644 -11.677 1.00 0.00 C ATOM 823 OD1 ASP A 59 -9.056 -1.944 -12.854 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.721 -2.347 -10.846 1.00 0.00 O ATOM 0 H ASP A 59 -6.887 1.598 -11.983 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.732 -0.874 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.968 -0.055 -10.224 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.916 0.493 -11.888 1.00 0.00 H new ATOM 829 N ASN A 60 -6.015 -2.323 -12.207 1.00 0.00 N ATOM 830 CA ASN A 60 -5.505 -3.113 -13.366 1.00 0.00 C ATOM 831 C ASN A 60 -6.614 -4.000 -13.939 1.00 0.00 C ATOM 832 O ASN A 60 -6.435 -4.644 -14.954 1.00 0.00 O ATOM 833 CB ASN A 60 -4.329 -3.982 -12.916 1.00 0.00 C ATOM 834 CG ASN A 60 -3.023 -3.361 -13.414 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.149 -4.056 -13.890 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.855 -2.069 -13.325 1.00 0.00 N ATOM 0 H ASN A 60 -5.906 -2.765 -11.294 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.174 -2.424 -14.143 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.316 -4.062 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.438 -4.993 -13.309 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.989 -1.643 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.590 -1.486 -12.925 1.00 0.00 H new ATOM 843 N GLY A 61 -7.759 -4.032 -13.319 1.00 0.00 N ATOM 844 CA GLY A 61 -8.863 -4.869 -13.856 1.00 0.00 C ATOM 845 C GLY A 61 -8.479 -6.349 -13.782 1.00 0.00 C ATOM 846 O GLY A 61 -9.157 -7.202 -14.318 1.00 0.00 O ATOM 0 H GLY A 61 -7.977 -3.516 -12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.775 -4.692 -13.286 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.073 -4.590 -14.889 1.00 0.00 H new ATOM 850 N ASP A 62 -7.398 -6.663 -13.121 1.00 0.00 N ATOM 851 CA ASP A 62 -6.981 -8.090 -13.017 1.00 0.00 C ATOM 852 C ASP A 62 -7.203 -8.579 -11.585 1.00 0.00 C ATOM 853 O ASP A 62 -6.505 -9.445 -11.099 1.00 0.00 O ATOM 854 CB ASP A 62 -5.502 -8.222 -13.385 1.00 0.00 C ATOM 855 CG ASP A 62 -4.648 -7.477 -12.359 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.124 -6.489 -11.825 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.530 -7.907 -12.123 1.00 0.00 O ATOM 0 H ASP A 62 -6.787 -5.995 -12.650 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.575 -8.694 -13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.217 -9.274 -13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.327 -7.816 -14.381 1.00 0.00 H new ATOM 862 N GLY A 63 -8.178 -8.032 -10.909 1.00 0.00 N ATOM 863 CA GLY A 63 -8.453 -8.469 -9.510 1.00 0.00 C ATOM 864 C GLY A 63 -7.403 -7.881 -8.561 1.00 0.00 C ATOM 865 O GLY A 63 -7.384 -8.171 -7.371 1.00 0.00 O ATOM 0 H GLY A 63 -8.795 -7.302 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.449 -8.146 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.440 -9.557 -9.451 1.00 0.00 H new ATOM 869 N THR A 64 -6.530 -7.057 -9.075 1.00 0.00 N ATOM 870 CA THR A 64 -5.482 -6.449 -8.213 1.00 0.00 C ATOM 871 C THR A 64 -5.364 -4.958 -8.528 1.00 0.00 C ATOM 872 O THR A 64 -5.639 -4.522 -9.627 1.00 0.00 O ATOM 873 CB THR A 64 -4.138 -7.119 -8.483 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.967 -7.285 -9.884 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.090 -8.483 -7.795 1.00 0.00 C ATOM 0 H THR A 64 -6.499 -6.780 -10.056 1.00 0.00 H new ATOM 0 HA THR A 64 -5.757 -6.587 -7.167 1.00 0.00 H new ATOM 0 HB THR A 64 -3.337 -6.493 -8.089 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.406 -6.547 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.128 -8.956 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.218 -8.353 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.890 -9.114 -8.182 1.00 0.00 H new ATOM 883 N TYR A 65 -4.967 -4.171 -7.567 1.00 0.00 N ATOM 884 CA TYR A 65 -4.845 -2.709 -7.814 1.00 0.00 C ATOM 885 C TYR A 65 -3.426 -2.232 -7.516 1.00 0.00 C ATOM 886 O TYR A 65 -2.705 -2.837 -6.747 1.00 0.00 O ATOM 887 CB TYR A 65 -5.845 -1.981 -6.921 1.00 0.00 C ATOM 888 CG TYR A 65 -7.224 -2.335 -7.401 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.657 -3.665 -7.364 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.056 -1.343 -7.919 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.918 -4.001 -7.844 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.323 -1.677 -8.394 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.757 -3.008 -8.361 1.00 0.00 C ATOM 894 OH TYR A 65 -11.008 -3.338 -8.837 1.00 0.00 O ATOM 0 H TYR A 65 -4.723 -4.476 -6.625 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.058 -2.495 -8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.714 -2.276 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.688 -0.903 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.011 -4.432 -6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.719 -0.317 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.250 -5.028 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.971 -0.908 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.061 -3.125 -9.792 1.00 0.00 H new ATOM 904 N ASP A 66 -3.016 -1.151 -8.126 1.00 0.00 N ATOM 905 CA ASP A 66 -1.641 -0.641 -7.881 1.00 0.00 C ATOM 906 C ASP A 66 -1.704 0.853 -7.587 1.00 0.00 C ATOM 907 O ASP A 66 -2.227 1.629 -8.364 1.00 0.00 O ATOM 908 CB ASP A 66 -0.777 -0.882 -9.121 1.00 0.00 C ATOM 909 CG ASP A 66 -1.155 -2.221 -9.755 1.00 0.00 C ATOM 910 OD1 ASP A 66 -2.169 -2.268 -10.433 1.00 0.00 O ATOM 911 OD2 ASP A 66 -0.427 -3.179 -9.551 1.00 0.00 O ATOM 0 H ASP A 66 -3.574 -0.603 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.204 -1.163 -7.030 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.920 -0.075 -9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.278 -0.882 -8.847 1.00 0.00 H new ATOM 916 N VAL A 67 -1.178 1.268 -6.470 1.00 0.00 N ATOM 917 CA VAL A 67 -1.211 2.712 -6.131 1.00 0.00 C ATOM 918 C VAL A 67 0.240 3.228 -6.085 1.00 0.00 C ATOM 919 O VAL A 67 1.148 2.480 -5.767 1.00 0.00 O ATOM 920 CB VAL A 67 -1.920 2.889 -4.779 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.119 1.939 -4.686 1.00 0.00 C ATOM 922 CG2 VAL A 67 -0.974 2.563 -3.652 1.00 0.00 C ATOM 0 H VAL A 67 -0.727 0.668 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.762 3.285 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.254 3.924 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.615 2.072 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.821 2.160 -5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.775 0.909 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.486 2.692 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.637 1.531 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.113 3.231 -3.695 1.00 0.00 H new ATOM 932 N GLU A 68 0.489 4.476 -6.432 1.00 0.00 N ATOM 933 CA GLU A 68 1.915 4.955 -6.430 1.00 0.00 C ATOM 934 C GLU A 68 2.037 6.453 -6.118 1.00 0.00 C ATOM 935 O GLU A 68 1.599 7.283 -6.868 1.00 0.00 O ATOM 936 CB GLU A 68 2.555 4.742 -7.813 1.00 0.00 C ATOM 937 CG GLU A 68 1.527 4.212 -8.823 1.00 0.00 C ATOM 938 CD GLU A 68 1.459 2.686 -8.739 1.00 0.00 C ATOM 939 OE1 GLU A 68 2.465 2.053 -9.011 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.401 2.175 -8.410 1.00 0.00 O ATOM 0 H GLU A 68 -0.211 5.165 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 68 2.418 4.378 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.971 5.683 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.383 4.038 -7.729 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.546 4.641 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.803 4.518 -9.832 1.00 0.00 H new ATOM 947 N PHE A 69 2.726 6.810 -5.073 1.00 0.00 N ATOM 948 CA PHE A 69 2.937 8.263 -4.790 1.00 0.00 C ATOM 949 C PHE A 69 4.432 8.457 -4.495 1.00 0.00 C ATOM 950 O PHE A 69 5.128 7.517 -4.135 1.00 0.00 O ATOM 951 CB PHE A 69 2.076 8.755 -3.609 1.00 0.00 C ATOM 952 CG PHE A 69 2.595 8.192 -2.327 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.568 6.815 -2.107 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.094 9.055 -1.351 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.042 6.301 -0.902 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.567 8.539 -0.149 1.00 0.00 C ATOM 957 CZ PHE A 69 3.539 7.157 0.071 1.00 0.00 C ATOM 0 H PHE A 69 3.151 6.168 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 69 2.630 8.854 -5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.088 9.844 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.039 8.453 -3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.182 6.151 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.113 10.120 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.023 5.236 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.954 9.202 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.906 6.754 1.003 1.00 0.00 H new ATOM 967 N GLU A 70 4.956 9.638 -4.684 1.00 0.00 N ATOM 968 CA GLU A 70 6.413 9.827 -4.439 1.00 0.00 C ATOM 969 C GLU A 70 6.710 11.278 -3.998 1.00 0.00 C ATOM 970 O GLU A 70 6.746 12.177 -4.814 1.00 0.00 O ATOM 971 CB GLU A 70 7.164 9.503 -5.731 1.00 0.00 C ATOM 972 CG GLU A 70 6.878 10.576 -6.784 1.00 0.00 C ATOM 973 CD GLU A 70 6.887 9.941 -8.176 1.00 0.00 C ATOM 974 OE1 GLU A 70 5.902 9.311 -8.525 1.00 0.00 O ATOM 975 OE2 GLU A 70 7.878 10.095 -8.868 1.00 0.00 O ATOM 0 H GLU A 70 4.448 10.467 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 70 6.739 9.163 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.235 9.450 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.859 8.525 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.911 11.041 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.628 11.365 -6.728 1.00 0.00 H new ATOM 982 N PRO A 71 6.914 11.458 -2.713 1.00 0.00 N ATOM 983 CA PRO A 71 7.217 12.783 -2.118 1.00 0.00 C ATOM 984 C PRO A 71 8.692 13.171 -2.332 1.00 0.00 C ATOM 985 O PRO A 71 9.489 12.378 -2.791 1.00 0.00 O ATOM 986 CB PRO A 71 6.922 12.576 -0.630 1.00 0.00 C ATOM 987 CG PRO A 71 7.026 11.052 -0.370 1.00 0.00 C ATOM 988 CD PRO A 71 6.855 10.357 -1.730 1.00 0.00 C ATOM 0 HA PRO A 71 6.635 13.588 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.634 13.124 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.929 12.946 -0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.989 10.800 0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.257 10.726 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.644 9.625 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.906 9.823 -1.787 1.00 0.00 H new ATOM 996 N LYS A 72 9.057 14.394 -2.014 1.00 0.00 N ATOM 997 CA LYS A 72 10.480 14.830 -2.216 1.00 0.00 C ATOM 998 C LYS A 72 11.069 15.481 -0.950 1.00 0.00 C ATOM 999 O LYS A 72 12.057 16.185 -1.027 1.00 0.00 O ATOM 1000 CB LYS A 72 10.537 15.853 -3.346 1.00 0.00 C ATOM 1001 CG LYS A 72 9.728 15.345 -4.540 1.00 0.00 C ATOM 1002 CD LYS A 72 10.421 15.760 -5.840 1.00 0.00 C ATOM 1003 CE LYS A 72 9.372 15.977 -6.932 1.00 0.00 C ATOM 1004 NZ LYS A 72 9.450 17.381 -7.425 1.00 0.00 N ATOM 0 H LYS A 72 8.436 15.104 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 72 11.064 13.941 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.139 16.809 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.572 16.025 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.636 14.260 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.718 15.752 -4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.993 16.675 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.129 14.991 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.539 15.282 -7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.376 15.773 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.737 17.528 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.270 18.036 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.397 17.560 -7.815 1.00 0.00 H new ATOM 1018 N GLU A 73 10.495 15.281 0.208 1.00 0.00 N ATOM 1019 CA GLU A 73 11.068 15.923 1.426 1.00 0.00 C ATOM 1020 C GLU A 73 10.732 15.071 2.663 1.00 0.00 C ATOM 1021 O GLU A 73 10.798 13.861 2.621 1.00 0.00 O ATOM 1022 CB GLU A 73 10.480 17.335 1.553 1.00 0.00 C ATOM 1023 CG GLU A 73 8.955 17.248 1.641 1.00 0.00 C ATOM 1024 CD GLU A 73 8.406 18.527 2.276 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.320 18.573 3.492 1.00 0.00 O ATOM 1026 OE2 GLU A 73 8.079 19.439 1.533 1.00 0.00 O ATOM 0 H GLU A 73 9.665 14.708 0.362 1.00 0.00 H new ATOM 0 HA GLU A 73 12.153 15.994 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.878 17.828 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.771 17.940 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.530 17.112 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.663 16.381 2.234 1.00 0.00 H new ATOM 1033 N ALA A 74 10.354 15.686 3.755 1.00 0.00 N ATOM 1034 CA ALA A 74 9.987 14.905 4.973 1.00 0.00 C ATOM 1035 C ALA A 74 8.470 14.818 5.004 1.00 0.00 C ATOM 1036 O ALA A 74 7.785 15.816 4.909 1.00 0.00 O ATOM 1037 CB ALA A 74 10.512 15.614 6.222 1.00 0.00 C ATOM 0 H ALA A 74 10.284 16.699 3.855 1.00 0.00 H new ATOM 0 HA ALA A 74 10.426 13.907 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.241 15.039 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.597 15.699 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.073 16.609 6.287 1.00 0.00 H new ATOM 1043 N GLY A 75 7.925 13.636 5.071 1.00 0.00 N ATOM 1044 CA GLY A 75 6.445 13.537 5.030 1.00 0.00 C ATOM 1045 C GLY A 75 5.960 12.194 5.553 1.00 0.00 C ATOM 1046 O GLY A 75 6.683 11.222 5.592 1.00 0.00 O ATOM 0 H GLY A 75 8.429 12.753 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.009 14.339 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.099 13.676 4.006 1.00 0.00 H new ATOM 1050 N ASP A 76 4.718 12.139 5.925 1.00 0.00 N ATOM 1051 CA ASP A 76 4.135 10.868 6.414 1.00 0.00 C ATOM 1052 C ASP A 76 3.064 10.457 5.417 1.00 0.00 C ATOM 1053 O ASP A 76 2.553 11.267 4.669 1.00 0.00 O ATOM 1054 CB ASP A 76 3.518 11.075 7.798 1.00 0.00 C ATOM 1055 CG ASP A 76 2.566 12.271 7.764 1.00 0.00 C ATOM 1056 OD1 ASP A 76 2.584 12.989 6.778 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.834 12.448 8.723 1.00 0.00 O ATOM 0 H ASP A 76 4.074 12.930 5.911 1.00 0.00 H new ATOM 0 HA ASP A 76 4.899 10.095 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.980 10.178 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.303 11.244 8.535 1.00 0.00 H new ATOM 1062 N TYR A 77 2.746 9.203 5.362 1.00 0.00 N ATOM 1063 CA TYR A 77 1.740 8.754 4.367 1.00 0.00 C ATOM 1064 C TYR A 77 0.495 8.250 5.051 1.00 0.00 C ATOM 1065 O TYR A 77 0.546 7.513 6.010 1.00 0.00 O ATOM 1066 CB TYR A 77 2.279 7.586 3.553 1.00 0.00 C ATOM 1067 CG TYR A 77 3.690 7.842 3.141 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.102 9.137 2.842 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.573 6.769 3.014 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.407 9.366 2.404 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.878 6.993 2.581 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.299 8.294 2.271 1.00 0.00 C ATOM 1073 OH TYR A 77 7.586 8.519 1.833 1.00 0.00 O ATOM 0 H TYR A 77 3.134 8.471 5.957 1.00 0.00 H new ATOM 0 HA TYR A 77 1.519 9.613 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.226 6.670 4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.658 7.433 2.670 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.414 9.962 2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.246 5.767 3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.729 10.369 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.565 6.165 2.484 1.00 0.00 H new ATOM 0 HH TYR A 77 7.989 7.671 1.552 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.621 8.597 4.506 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.897 8.097 5.048 1.00 0.00 C ATOM 1085 C VAL A 78 -2.498 7.229 3.961 1.00 0.00 C ATOM 1086 O VAL A 78 -2.548 7.613 2.795 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.823 9.251 5.400 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.706 10.337 4.332 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.263 8.743 5.478 1.00 0.00 C ATOM 0 H VAL A 78 -0.706 9.213 3.698 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.747 7.531 5.967 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.541 9.669 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.369 11.166 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.677 10.695 4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.988 9.926 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.927 9.570 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.554 8.325 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.336 7.972 6.245 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.884 6.042 4.312 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.411 5.112 3.271 1.00 0.00 C ATOM 1101 C ILE A 79 -4.912 4.904 3.370 1.00 0.00 C ATOM 1102 O ILE A 79 -5.545 5.101 4.387 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.712 3.747 3.374 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.570 3.804 4.397 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.144 3.370 2.007 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.909 2.429 4.498 1.00 0.00 C ATOM 0 H ILE A 79 -2.861 5.672 5.262 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.202 5.578 2.308 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.438 3.002 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.836 4.552 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.954 4.107 5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.647 2.402 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.954 3.312 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.425 4.126 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.097 2.468 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.647 1.693 4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.511 2.144 3.524 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.463 4.481 2.277 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.905 4.192 2.198 1.00 0.00 C ATOM 1120 C ASN A 80 -7.086 3.070 1.176 1.00 0.00 C ATOM 1121 O ASN A 80 -6.828 3.237 0.002 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.661 5.431 1.747 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.068 6.672 2.417 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.695 7.218 3.422 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -6.023 7.149 2.021 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.953 4.320 1.408 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.293 3.896 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.603 5.529 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.716 5.338 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.533 6.722 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.636 7.977 2.475 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.517 1.931 1.621 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.717 0.775 0.704 1.00 0.00 C ATOM 1134 C LEU A 81 -9.023 0.119 1.104 1.00 0.00 C ATOM 1135 O LEU A 81 -9.212 -0.235 2.246 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.551 -0.208 0.863 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.795 -1.516 0.096 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.480 -2.513 1.022 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.671 -1.278 -1.134 1.00 0.00 C ATOM 0 H LEU A 81 -7.744 1.745 2.598 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.752 1.091 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.633 0.257 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.404 -0.429 1.920 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.835 -1.908 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.657 -3.445 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.842 -2.706 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.431 -2.102 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.827 -2.221 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.634 -0.872 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.178 -0.570 -1.800 1.00 0.00 H new ATOM 1151 N THR A 82 -9.948 0.009 0.202 1.00 0.00 N ATOM 1152 CA THR A 82 -11.275 -0.562 0.594 1.00 0.00 C ATOM 1153 C THR A 82 -11.802 -1.570 -0.427 1.00 0.00 C ATOM 1154 O THR A 82 -11.761 -1.350 -1.621 1.00 0.00 O ATOM 1155 CB THR A 82 -12.258 0.606 0.696 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.024 1.521 -0.368 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.053 1.327 2.026 1.00 0.00 C ATOM 0 H THR A 82 -9.855 0.282 -0.776 1.00 0.00 H new ATOM 0 HA THR A 82 -11.165 -1.093 1.539 1.00 0.00 H new ATOM 0 HB THR A 82 -13.277 0.225 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.291 1.190 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.753 2.160 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.228 0.632 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.032 1.705 2.081 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.334 -2.669 0.053 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.911 -3.690 -0.885 1.00 0.00 C ATOM 1167 C LEU A 83 -14.195 -4.272 -0.281 1.00 0.00 C ATOM 1168 O LEU A 83 -14.192 -5.371 0.222 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.902 -4.822 -1.129 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.370 -5.727 -2.290 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.422 -6.719 -1.785 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.988 -4.879 -3.405 1.00 0.00 C ATOM 0 H LEU A 83 -12.395 -2.904 1.044 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.137 -3.207 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.924 -4.401 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.787 -5.415 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.506 -6.267 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.748 -7.354 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.991 -7.338 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.277 -6.172 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.314 -5.528 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.844 -4.331 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.246 -4.174 -3.779 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.275 -3.520 -0.322 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.597 -3.974 0.235 1.00 0.00 C ATOM 1186 C ASP A 84 -17.277 -2.785 0.907 1.00 0.00 C ATOM 1187 O ASP A 84 -18.472 -2.774 1.124 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.452 -5.114 1.254 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.393 -6.456 0.519 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.461 -6.443 -0.698 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.286 -7.469 1.189 1.00 0.00 O ATOM 0 H ASP A 84 -15.295 -2.585 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.193 -4.357 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.548 -4.973 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.293 -5.104 1.948 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.507 -1.793 1.263 1.00 0.00 N ATOM 1197 CA GLY A 85 -17.077 -0.610 1.953 1.00 0.00 C ATOM 1198 C GLY A 85 -16.276 -0.349 3.233 1.00 0.00 C ATOM 1199 O GLY A 85 -16.595 0.533 4.004 1.00 0.00 O ATOM 0 H GLY A 85 -15.500 -1.755 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.039 0.262 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.126 -0.783 2.193 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.225 -1.104 3.463 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.406 -0.886 4.680 1.00 0.00 C ATOM 1205 C ASP A 86 -12.947 -0.795 4.249 1.00 0.00 C ATOM 1206 O ASP A 86 -12.635 -0.933 3.084 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.589 -2.060 5.645 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.326 -1.581 6.897 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.817 -0.464 6.880 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.386 -2.339 7.850 1.00 0.00 O ATOM 0 H ASP A 86 -14.907 -1.859 2.855 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.712 0.029 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.153 -2.858 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.619 -2.475 5.918 1.00 0.00 H new ATOM 1215 N ASN A 87 -12.045 -0.567 5.156 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.623 -0.476 4.745 1.00 0.00 C ATOM 1217 C ASN A 87 -9.849 -1.673 5.292 1.00 0.00 C ATOM 1218 O ASN A 87 -10.244 -2.285 6.265 1.00 0.00 O ATOM 1219 CB ASN A 87 -10.015 0.821 5.282 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.634 2.015 4.551 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.010 2.603 3.690 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -11.844 2.398 4.859 1.00 0.00 N ATOM 0 H ASN A 87 -12.227 -0.441 6.152 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.563 -0.479 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.196 0.904 6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.934 0.815 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.266 3.191 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.367 1.904 5.582 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.750 -2.017 4.676 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.967 -3.181 5.178 1.00 0.00 C ATOM 1231 C VAL A 88 -7.389 -2.820 6.558 1.00 0.00 C ATOM 1232 O VAL A 88 -7.480 -1.690 6.995 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.852 -3.534 4.180 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.703 -4.258 4.888 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.428 -4.457 3.102 1.00 0.00 C ATOM 0 H VAL A 88 -8.364 -1.548 3.856 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.608 -4.057 5.278 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.470 -2.614 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.924 -4.499 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.290 -3.614 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.076 -5.177 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.646 -4.715 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.808 -5.366 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.240 -3.948 2.583 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.831 -3.771 7.267 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.298 -3.468 8.633 1.00 0.00 C ATOM 1247 C ASN A 89 -4.903 -2.835 8.573 1.00 0.00 C ATOM 1248 O ASN A 89 -4.136 -2.926 9.512 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.234 -4.760 9.448 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.538 -4.932 10.229 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -8.610 -4.893 9.660 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -7.491 -5.119 11.519 1.00 0.00 N ATOM 0 H ASN A 89 -6.722 -4.738 6.962 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.970 -2.752 9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.078 -5.613 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.388 -4.729 10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.355 -5.232 12.050 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.591 -5.152 11.997 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.567 -2.189 7.498 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.220 -1.546 7.412 1.00 0.00 C ATOM 1261 C GLY A 90 -3.282 -0.303 6.512 1.00 0.00 C ATOM 1262 O GLY A 90 -2.272 0.180 6.040 1.00 0.00 O ATOM 0 H GLY A 90 -5.159 -2.075 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.878 -1.266 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.495 -2.256 7.014 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.458 0.192 6.238 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.582 1.372 5.334 1.00 0.00 C ATOM 1268 C PHE A 91 -5.002 2.650 6.056 1.00 0.00 C ATOM 1269 O PHE A 91 -4.471 3.694 5.745 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.568 1.034 4.246 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.762 0.586 3.073 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.392 -0.751 2.958 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.356 1.514 2.121 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.617 -1.164 1.879 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.581 1.111 1.039 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.208 -0.233 0.913 1.00 0.00 C ATOM 0 H PHE A 91 -5.340 -0.170 6.601 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.596 1.580 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.251 0.249 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.177 1.901 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.706 -1.466 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.643 2.550 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.330 -2.201 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.268 1.832 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.607 -0.552 0.074 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.887 2.579 7.021 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.281 3.783 7.754 1.00 0.00 C ATOM 1288 C PRO A 92 -5.141 4.166 8.697 1.00 0.00 C ATOM 1289 O PRO A 92 -5.303 4.953 9.608 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.550 3.366 8.501 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.513 1.825 8.590 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.550 1.346 7.486 1.00 0.00 C ATOM 0 HA PRO A 92 -6.473 4.656 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.581 3.812 9.495 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.441 3.704 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.169 1.501 9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.508 1.404 8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.827 0.627 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.087 0.853 6.676 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.976 3.613 8.460 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.805 3.927 9.296 1.00 0.00 C ATOM 1302 C LYS A 93 -1.949 4.938 8.553 1.00 0.00 C ATOM 1303 O LYS A 93 -2.150 5.207 7.373 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.014 2.638 9.537 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.652 2.967 10.151 1.00 0.00 C ATOM 1306 CD LYS A 93 0.090 1.667 10.472 1.00 0.00 C ATOM 1307 CE LYS A 93 0.020 0.726 9.266 1.00 0.00 C ATOM 1308 NZ LYS A 93 1.310 -0.008 9.132 1.00 0.00 N ATOM 0 H LYS A 93 -3.797 2.948 7.707 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.109 4.343 10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.572 1.978 10.201 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.879 2.103 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.066 3.572 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.783 3.557 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.130 1.881 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.354 1.189 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.801 0.020 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.183 1.295 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.262 -0.647 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.084 0.673 8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.485 -0.563 9.994 1.00 0.00 H new ATOM 1322 N THR A 94 -1.009 5.513 9.233 1.00 0.00 N ATOM 1323 CA THR A 94 -0.151 6.518 8.582 1.00 0.00 C ATOM 1324 C THR A 94 1.306 6.108 8.688 1.00 0.00 C ATOM 1325 O THR A 94 1.812 5.823 9.756 1.00 0.00 O ATOM 1326 CB THR A 94 -0.353 7.862 9.271 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.738 8.180 9.286 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.418 8.936 8.514 1.00 0.00 C ATOM 0 H THR A 94 -0.799 5.328 10.214 1.00 0.00 H new ATOM 0 HA THR A 94 -0.419 6.595 7.528 1.00 0.00 H new ATOM 0 HB THR A 94 0.014 7.811 10.296 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.871 9.043 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.276 9.899 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.479 8.685 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.052 8.993 7.489 1.00 0.00 H new ATOM 1336 N VAL A 95 1.994 6.099 7.587 1.00 0.00 N ATOM 1337 CA VAL A 95 3.438 5.734 7.634 1.00 0.00 C ATOM 1338 C VAL A 95 4.253 7.029 7.648 1.00 0.00 C ATOM 1339 O VAL A 95 3.769 8.071 7.255 1.00 0.00 O ATOM 1340 CB VAL A 95 3.809 4.841 6.440 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.306 4.910 6.159 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.466 3.395 6.773 1.00 0.00 C ATOM 0 H VAL A 95 1.627 6.326 6.663 1.00 0.00 H new ATOM 0 HA VAL A 95 3.657 5.160 8.534 1.00 0.00 H new ATOM 0 HB VAL A 95 3.255 5.188 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.547 4.270 5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.586 5.938 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.857 4.571 7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.727 2.756 5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.027 3.081 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.398 3.312 6.975 1.00 0.00 H new ATOM 1352 N THR A 96 5.457 7.006 8.158 1.00 0.00 N ATOM 1353 CA THR A 96 6.223 8.284 8.245 1.00 0.00 C ATOM 1354 C THR A 96 7.555 8.247 7.486 1.00 0.00 C ATOM 1355 O THR A 96 8.262 7.259 7.463 1.00 0.00 O ATOM 1356 CB THR A 96 6.505 8.591 9.718 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.318 8.404 10.475 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.979 10.038 9.855 1.00 0.00 C ATOM 0 H THR A 96 5.935 6.177 8.511 1.00 0.00 H new ATOM 0 HA THR A 96 5.610 9.056 7.780 1.00 0.00 H new ATOM 0 HB THR A 96 7.280 7.920 10.089 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.498 8.599 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.180 10.257 10.904 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.890 10.179 9.274 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.205 10.711 9.485 1.00 0.00 H new ATOM 1366 N VAL A 97 7.906 9.373 6.919 1.00 0.00 N ATOM 1367 CA VAL A 97 9.203 9.530 6.197 1.00 0.00 C ATOM 1368 C VAL A 97 9.889 10.785 6.750 1.00 0.00 C ATOM 1369 O VAL A 97 9.239 11.742 7.132 1.00 0.00 O ATOM 1370 CB VAL A 97 8.976 9.648 4.679 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.121 10.402 4.035 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.983 8.262 4.048 1.00 0.00 C ATOM 0 H VAL A 97 7.329 10.214 6.928 1.00 0.00 H new ATOM 0 HA VAL A 97 9.833 8.655 6.354 1.00 0.00 H new ATOM 0 HB VAL A 97 8.026 10.160 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.948 10.478 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.185 11.402 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.055 9.869 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.822 8.351 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.945 7.783 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.187 7.659 4.486 1.00 0.00 H new ATOM 1382 N LYS A 98 11.192 10.775 6.816 1.00 0.00 N ATOM 1383 CA LYS A 98 11.932 11.938 7.391 1.00 0.00 C ATOM 1384 C LYS A 98 12.367 12.886 6.266 1.00 0.00 C ATOM 1385 O LYS A 98 12.019 12.663 5.123 1.00 0.00 O ATOM 1386 CB LYS A 98 13.153 11.382 8.126 1.00 0.00 C ATOM 1387 CG LYS A 98 13.096 11.794 9.598 1.00 0.00 C ATOM 1388 CD LYS A 98 12.464 10.671 10.419 1.00 0.00 C ATOM 1389 CE LYS A 98 12.080 11.204 11.802 1.00 0.00 C ATOM 1390 NZ LYS A 98 13.300 11.706 12.495 1.00 0.00 N ATOM 0 H LYS A 98 11.781 10.007 6.495 1.00 0.00 H new ATOM 0 HA LYS A 98 11.301 12.502 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.177 10.295 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.068 11.757 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.100 12.007 9.966 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.515 12.710 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.582 10.285 9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.163 9.841 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.348 12.006 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.612 10.415 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.108 11.798 13.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.082 11.037 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 13.562 12.635 12.107 1.00 0.00 H new ATOM 1404 N PRO A 99 13.096 13.933 6.606 1.00 0.00 N ATOM 1405 CA PRO A 99 13.531 14.918 5.606 1.00 0.00 C ATOM 1406 C PRO A 99 14.516 14.284 4.634 1.00 0.00 C ATOM 1407 O PRO A 99 15.720 14.345 4.791 1.00 0.00 O ATOM 1408 CB PRO A 99 14.137 16.057 6.432 1.00 0.00 C ATOM 1409 CG PRO A 99 14.486 15.454 7.807 1.00 0.00 C ATOM 1410 CD PRO A 99 13.579 14.219 7.979 1.00 0.00 C ATOM 0 HA PRO A 99 12.722 15.290 4.977 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.026 16.459 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.431 16.881 6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.538 15.173 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.314 16.177 8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.130 13.374 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.752 14.423 8.659 1.00 0.00 H new ATOM 1418 N ALA A 100 13.971 13.668 3.627 1.00 0.00 N ATOM 1419 CA ALA A 100 14.787 12.993 2.590 1.00 0.00 C ATOM 1420 C ALA A 100 16.057 13.803 2.302 1.00 0.00 C ATOM 1421 O ALA A 100 16.009 14.795 1.603 1.00 0.00 O ATOM 1422 CB ALA A 100 13.940 12.896 1.321 1.00 0.00 C ATOM 0 H ALA A 100 12.964 13.604 3.477 1.00 0.00 H new ATOM 0 HA ALA A 100 15.085 12.002 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.514 12.403 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.039 12.319 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.662 13.897 0.992 1.00 0.00 H new TER 1428 ALA A 100