USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 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 148:sc= -8.61! USER MOD Set 1.2: A 77 TYR OH : rot 35:sc= -5.34! USER MOD Set 2.1: A 60 ASN : amide:sc= -1.79! X(o=-1.4!,f=-1.2) USER MOD Set 2.2: A 64 THR OG1 : rot -13:sc= 0.431 USER MOD Single : A 1 ALA N :NH3+ -172:sc= -1.29 (180deg=-1.38) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 90:sc= -5.28! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.424 K(o=-0.42,f=-3.4!) USER MOD Single : A 22 SER OG : rot -173:sc= -0.203! 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 HE2:sc= -3.18! C(o=-3.2!,f=-5.3!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -7.25! C(o=-10!,f=-7.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -2.18! C(o=-3.6!,f=-2.2!) USER MOD Single : A 82 THR OG1 : rot 19:sc= -7.58! USER MOD Single : A 87 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.5!) USER MOD Single : A 89 ASN : amide:sc= -0.0512 X(o=-0.051,f=-0.037) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0666) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.044 -10.396 -0.122 1.00 0.00 N ATOM 2 CA ALA A 1 -17.245 -9.651 -1.135 1.00 0.00 C ATOM 3 C ALA A 1 -15.811 -9.506 -0.638 1.00 0.00 C ATOM 4 O ALA A 1 -15.289 -8.418 -0.505 1.00 0.00 O ATOM 5 CB ALA A 1 -17.850 -8.268 -1.348 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.982 -10.615 -0.513 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.556 -11.281 0.123 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.153 -9.813 0.732 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.253 -10.198 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.264 -7.725 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.876 -8.370 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.843 -7.719 -0.406 1.00 0.00 H new ATOM 13 N ASP A 2 -15.173 -10.600 -0.365 1.00 0.00 N ATOM 14 CA ASP A 2 -13.774 -10.542 0.124 1.00 0.00 C ATOM 15 C ASP A 2 -13.656 -9.551 1.289 1.00 0.00 C ATOM 16 O ASP A 2 -12.759 -8.738 1.310 1.00 0.00 O ATOM 17 CB ASP A 2 -12.885 -10.084 -1.026 1.00 0.00 C ATOM 18 CG ASP A 2 -11.460 -9.919 -0.518 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.185 -10.411 0.561 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.670 -9.301 -1.211 1.00 0.00 O ATOM 0 H ASP A 2 -15.561 -11.539 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.467 -11.527 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.913 -10.812 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.251 -9.141 -1.432 1.00 0.00 H new ATOM 25 N PRO A 3 -14.540 -9.652 2.250 1.00 0.00 N ATOM 26 CA PRO A 3 -14.493 -8.778 3.430 1.00 0.00 C ATOM 27 C PRO A 3 -13.458 -9.336 4.409 1.00 0.00 C ATOM 28 O PRO A 3 -13.306 -8.855 5.515 1.00 0.00 O ATOM 29 CB PRO A 3 -15.896 -8.898 4.027 1.00 0.00 C ATOM 30 CG PRO A 3 -16.464 -10.246 3.524 1.00 0.00 C ATOM 31 CD PRO A 3 -15.658 -10.623 2.266 1.00 0.00 C ATOM 0 HA PRO A 3 -14.222 -7.747 3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.859 -8.873 5.116 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.526 -8.067 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.369 -11.016 4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.525 -10.156 3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.294 -11.649 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.266 -10.546 1.365 1.00 0.00 H new ATOM 39 N GLU A 4 -12.781 -10.386 4.019 1.00 0.00 N ATOM 40 CA GLU A 4 -11.798 -11.025 4.935 1.00 0.00 C ATOM 41 C GLU A 4 -10.547 -11.502 4.188 1.00 0.00 C ATOM 42 O GLU A 4 -9.693 -12.145 4.765 1.00 0.00 O ATOM 43 CB GLU A 4 -12.473 -12.244 5.530 1.00 0.00 C ATOM 44 CG GLU A 4 -12.487 -12.140 7.057 1.00 0.00 C ATOM 45 CD GLU A 4 -13.781 -12.750 7.598 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.669 -13.009 6.802 1.00 0.00 O ATOM 47 OE2 GLU A 4 -13.864 -12.945 8.800 1.00 0.00 O ATOM 0 H GLU A 4 -12.869 -10.827 3.103 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.491 -10.298 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.493 -12.326 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.946 -13.148 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.625 -12.659 7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.409 -11.096 7.362 1.00 0.00 H new ATOM 54 N LYS A 5 -10.415 -11.216 2.927 1.00 0.00 N ATOM 55 CA LYS A 5 -9.208 -11.687 2.203 1.00 0.00 C ATOM 56 C LYS A 5 -8.760 -10.592 1.256 1.00 0.00 C ATOM 57 O LYS A 5 -8.380 -10.839 0.129 1.00 0.00 O ATOM 58 CB LYS A 5 -9.531 -12.958 1.415 1.00 0.00 C ATOM 59 CG LYS A 5 -9.809 -14.107 2.387 1.00 0.00 C ATOM 60 CD LYS A 5 -8.760 -15.206 2.197 1.00 0.00 C ATOM 61 CE LYS A 5 -7.357 -14.606 2.329 1.00 0.00 C ATOM 62 NZ LYS A 5 -6.771 -14.999 3.642 1.00 0.00 N ATOM 0 H LYS A 5 -11.083 -10.682 2.371 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.414 -11.915 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.398 -12.791 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.697 -13.215 0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.786 -13.742 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.807 -14.509 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.902 -15.991 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.878 -15.669 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.722 -14.956 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.405 -13.520 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.818 -14.592 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.374 -14.644 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.712 -16.036 3.699 1.00 0.00 H new ATOM 76 N SER A 6 -8.805 -9.377 1.711 1.00 0.00 N ATOM 77 CA SER A 6 -8.382 -8.253 0.839 1.00 0.00 C ATOM 78 C SER A 6 -7.137 -7.621 1.446 1.00 0.00 C ATOM 79 O SER A 6 -7.179 -7.053 2.518 1.00 0.00 O ATOM 80 CB SER A 6 -9.483 -7.198 0.782 1.00 0.00 C ATOM 81 OG SER A 6 -10.746 -7.833 0.737 1.00 0.00 O ATOM 0 H SER A 6 -9.115 -9.113 2.646 1.00 0.00 H new ATOM 0 HA SER A 6 -8.182 -8.623 -0.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.423 -6.547 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.351 -6.567 -0.097 1.00 0.00 H new ATOM 0 HG SER A 6 -11.075 -7.973 1.650 1.00 0.00 H new ATOM 87 N TYR A 7 -6.021 -7.729 0.783 1.00 0.00 N ATOM 88 CA TYR A 7 -4.776 -7.144 1.359 1.00 0.00 C ATOM 89 C TYR A 7 -3.990 -6.364 0.301 1.00 0.00 C ATOM 90 O TYR A 7 -3.902 -6.756 -0.846 1.00 0.00 O ATOM 91 CB TYR A 7 -3.893 -8.266 1.917 1.00 0.00 C ATOM 92 CG TYR A 7 -4.123 -9.536 1.132 1.00 0.00 C ATOM 93 CD1 TYR A 7 -3.391 -9.779 -0.037 1.00 0.00 C ATOM 94 CD2 TYR A 7 -5.071 -10.468 1.570 1.00 0.00 C ATOM 95 CE1 TYR A 7 -3.606 -10.955 -0.766 1.00 0.00 C ATOM 96 CE2 TYR A 7 -5.287 -11.643 0.841 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.555 -11.886 -0.327 1.00 0.00 C ATOM 98 OH TYR A 7 -4.769 -13.043 -1.048 1.00 0.00 O ATOM 0 H TYR A 7 -5.915 -8.190 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.060 -6.457 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.843 -7.978 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.122 -8.432 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.661 -9.059 -0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.636 -10.280 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.040 -11.144 -1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.018 -12.362 1.180 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.459 -13.581 -0.606 1.00 0.00 H new ATOM 108 N ALA A 8 -3.397 -5.270 0.701 1.00 0.00 N ATOM 109 CA ALA A 8 -2.583 -4.453 -0.243 1.00 0.00 C ATOM 110 C ALA A 8 -1.149 -4.417 0.278 1.00 0.00 C ATOM 111 O ALA A 8 -0.893 -3.934 1.363 1.00 0.00 O ATOM 112 CB ALA A 8 -3.127 -3.026 -0.306 1.00 0.00 C ATOM 0 H ALA A 8 -3.443 -4.905 1.652 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.623 -4.890 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.525 -2.437 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.161 -3.046 -0.650 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.083 -2.576 0.686 1.00 0.00 H new ATOM 118 N GLU A 9 -0.209 -4.930 -0.463 1.00 0.00 N ATOM 119 CA GLU A 9 1.192 -4.917 0.039 1.00 0.00 C ATOM 120 C GLU A 9 2.151 -4.560 -1.092 1.00 0.00 C ATOM 121 O GLU A 9 1.970 -4.951 -2.233 1.00 0.00 O ATOM 122 CB GLU A 9 1.546 -6.300 0.590 1.00 0.00 C ATOM 123 CG GLU A 9 0.443 -6.772 1.540 1.00 0.00 C ATOM 124 CD GLU A 9 0.520 -5.982 2.848 1.00 0.00 C ATOM 125 OE1 GLU A 9 0.817 -4.799 2.787 1.00 0.00 O ATOM 126 OE2 GLU A 9 0.279 -6.571 3.888 1.00 0.00 O ATOM 0 H GLU A 9 -0.346 -5.352 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 9 1.281 -4.171 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.663 -7.010 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.500 -6.260 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.534 -6.634 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.553 -7.838 1.740 1.00 0.00 H new ATOM 133 N GLY A 10 3.170 -3.811 -0.783 1.00 0.00 N ATOM 134 CA GLY A 10 4.146 -3.426 -1.828 1.00 0.00 C ATOM 135 C GLY A 10 5.436 -2.935 -1.178 1.00 0.00 C ATOM 136 O GLY A 10 5.507 -2.787 0.025 1.00 0.00 O ATOM 0 H GLY A 10 3.367 -3.450 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.356 -4.279 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.726 -2.643 -2.460 1.00 0.00 H new ATOM 140 N PRO A 11 6.407 -2.647 -2.008 1.00 0.00 N ATOM 141 CA PRO A 11 7.697 -2.107 -1.556 1.00 0.00 C ATOM 142 C PRO A 11 7.539 -0.601 -1.303 1.00 0.00 C ATOM 143 O PRO A 11 8.493 0.106 -1.046 1.00 0.00 O ATOM 144 CB PRO A 11 8.631 -2.370 -2.740 1.00 0.00 C ATOM 145 CG PRO A 11 7.724 -2.511 -3.987 1.00 0.00 C ATOM 146 CD PRO A 11 6.311 -2.842 -3.470 1.00 0.00 C ATOM 0 HA PRO A 11 8.070 -2.552 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.340 -1.551 -2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.216 -3.276 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.718 -1.588 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.090 -3.299 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.561 -2.185 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.025 -3.864 -3.718 1.00 0.00 H new ATOM 154 N GLY A 12 6.324 -0.115 -1.382 1.00 0.00 N ATOM 155 CA GLY A 12 6.053 1.329 -1.162 1.00 0.00 C ATOM 156 C GLY A 12 5.136 1.472 0.051 1.00 0.00 C ATOM 157 O GLY A 12 4.446 0.550 0.393 1.00 0.00 O ATOM 0 H GLY A 12 5.497 -0.674 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.986 1.868 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.584 1.765 -2.044 1.00 0.00 H new ATOM 161 N LEU A 13 5.134 2.616 0.692 1.00 0.00 N ATOM 162 CA LEU A 13 4.253 2.839 1.889 1.00 0.00 C ATOM 163 C LEU A 13 4.991 2.477 3.167 1.00 0.00 C ATOM 164 O LEU A 13 4.532 2.748 4.260 1.00 0.00 O ATOM 165 CB LEU A 13 2.940 2.048 1.744 1.00 0.00 C ATOM 166 CG LEU A 13 2.874 0.765 2.614 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.689 0.867 3.568 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.670 -0.460 1.717 1.00 0.00 C ATOM 0 H LEU A 13 5.712 3.417 0.436 1.00 0.00 H new ATOM 0 HA LEU A 13 3.996 3.897 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.106 2.697 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.808 1.772 0.698 1.00 0.00 H new ATOM 0 HG LEU A 13 3.805 0.664 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.638 -0.032 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.813 1.739 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.768 0.968 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.624 -1.358 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.738 -0.353 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.502 -0.541 1.018 1.00 0.00 H new ATOM 180 N ASP A 14 6.140 1.898 3.044 1.00 0.00 N ATOM 181 CA ASP A 14 6.916 1.557 4.262 1.00 0.00 C ATOM 182 C ASP A 14 7.346 2.858 4.918 1.00 0.00 C ATOM 183 O ASP A 14 7.691 2.910 6.083 1.00 0.00 O ATOM 184 CB ASP A 14 8.165 0.787 3.874 1.00 0.00 C ATOM 185 CG ASP A 14 7.840 -0.195 2.747 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.679 0.254 1.624 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.757 -1.380 3.026 1.00 0.00 O ATOM 0 H ASP A 14 6.578 1.645 2.158 1.00 0.00 H new ATOM 0 HA ASP A 14 6.307 0.953 4.935 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.944 1.478 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.554 0.248 4.738 1.00 0.00 H new ATOM 192 N GLY A 15 7.328 3.911 4.159 1.00 0.00 N ATOM 193 CA GLY A 15 7.737 5.236 4.703 1.00 0.00 C ATOM 194 C GLY A 15 9.253 5.367 4.662 1.00 0.00 C ATOM 195 O GLY A 15 9.885 5.173 3.643 1.00 0.00 O ATOM 0 H GLY A 15 7.046 3.915 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.278 6.035 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.381 5.344 5.728 1.00 0.00 H new ATOM 199 N GLY A 16 9.832 5.689 5.782 1.00 0.00 N ATOM 200 CA GLY A 16 11.315 5.835 5.856 1.00 0.00 C ATOM 201 C GLY A 16 11.812 6.965 4.958 1.00 0.00 C ATOM 202 O GLY A 16 12.430 7.903 5.423 1.00 0.00 O ATOM 0 H GLY A 16 9.339 5.859 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.611 6.031 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.789 4.899 5.561 1.00 0.00 H new ATOM 206 N GLU A 17 11.587 6.885 3.678 1.00 0.00 N ATOM 207 CA GLU A 17 12.101 7.961 2.792 1.00 0.00 C ATOM 208 C GLU A 17 11.029 8.472 1.834 1.00 0.00 C ATOM 209 O GLU A 17 10.245 7.726 1.282 1.00 0.00 O ATOM 210 CB GLU A 17 13.252 7.423 1.966 1.00 0.00 C ATOM 211 CG GLU A 17 14.515 7.352 2.823 1.00 0.00 C ATOM 212 CD GLU A 17 15.610 6.603 2.060 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.332 5.515 1.582 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.707 7.129 1.968 1.00 0.00 O ATOM 0 H GLU A 17 11.078 6.133 3.213 1.00 0.00 H new ATOM 0 HA GLU A 17 12.421 8.785 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.005 6.433 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.423 8.065 1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.854 8.357 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.301 6.845 3.764 1.00 0.00 H new ATOM 221 N CYS A 18 11.019 9.754 1.635 1.00 0.00 N ATOM 222 CA CYS A 18 10.026 10.383 0.702 1.00 0.00 C ATOM 223 C CYS A 18 10.605 10.407 -0.712 1.00 0.00 C ATOM 224 O CYS A 18 9.892 10.565 -1.683 1.00 0.00 O ATOM 225 CB CYS A 18 9.743 11.839 1.102 1.00 0.00 C ATOM 226 SG CYS A 18 8.339 11.922 2.249 1.00 0.00 S ATOM 0 H CYS A 18 11.661 10.410 2.080 1.00 0.00 H new ATOM 0 HA CYS A 18 9.107 9.799 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.627 12.273 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.529 12.432 0.213 1.00 0.00 H new ATOM 0 HG CYS A 18 8.504 12.921 3.065 1.00 0.00 H new ATOM 232 N PHE A 19 11.896 10.286 -0.834 1.00 0.00 N ATOM 233 CA PHE A 19 12.525 10.339 -2.184 1.00 0.00 C ATOM 234 C PHE A 19 12.580 8.955 -2.805 1.00 0.00 C ATOM 235 O PHE A 19 13.148 8.759 -3.861 1.00 0.00 O ATOM 236 CB PHE A 19 13.926 10.922 -2.065 1.00 0.00 C ATOM 237 CG PHE A 19 13.768 12.399 -1.876 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.430 13.201 -2.968 1.00 0.00 C ATOM 239 CD2 PHE A 19 13.911 12.961 -0.605 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.234 14.569 -2.791 1.00 0.00 C ATOM 241 CE2 PHE A 19 13.722 14.332 -0.430 1.00 0.00 C ATOM 242 CZ PHE A 19 13.381 15.131 -1.521 1.00 0.00 C ATOM 0 H PHE A 19 12.544 10.153 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 19 11.922 10.975 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.458 10.480 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.511 10.708 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.321 12.761 -3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.167 12.337 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.969 15.192 -3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 19 13.840 14.774 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.230 16.191 -1.383 1.00 0.00 H new ATOM 252 N GLN A 20 11.957 8.000 -2.188 1.00 0.00 N ATOM 253 CA GLN A 20 11.940 6.647 -2.782 1.00 0.00 C ATOM 254 C GLN A 20 10.600 6.495 -3.491 1.00 0.00 C ATOM 255 O GLN A 20 9.656 7.188 -3.168 1.00 0.00 O ATOM 256 CB GLN A 20 12.085 5.586 -1.689 1.00 0.00 C ATOM 257 CG GLN A 20 13.511 5.031 -1.713 1.00 0.00 C ATOM 258 CD GLN A 20 13.473 3.503 -1.639 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.423 2.918 -1.459 1.00 0.00 O ATOM 260 NE2 GLN A 20 14.582 2.829 -1.774 1.00 0.00 N ATOM 0 H GLN A 20 11.461 8.098 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 20 12.768 6.516 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.867 6.020 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.366 4.782 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.019 5.348 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.081 5.431 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.463 3.321 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.568 1.810 -1.729 1.00 0.00 H new ATOM 269 N PRO A 21 10.548 5.609 -4.436 1.00 0.00 N ATOM 270 CA PRO A 21 9.321 5.376 -5.202 1.00 0.00 C ATOM 271 C PRO A 21 8.300 4.667 -4.318 1.00 0.00 C ATOM 272 O PRO A 21 8.590 3.647 -3.726 1.00 0.00 O ATOM 273 CB PRO A 21 9.786 4.499 -6.369 1.00 0.00 C ATOM 274 CG PRO A 21 11.109 3.841 -5.917 1.00 0.00 C ATOM 275 CD PRO A 21 11.685 4.747 -4.813 1.00 0.00 C ATOM 0 HA PRO A 21 8.833 6.285 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.038 3.743 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.936 5.096 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.934 2.833 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.805 3.754 -6.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.044 4.165 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.529 5.334 -5.177 1.00 0.00 H new ATOM 283 N SER A 22 7.111 5.195 -4.202 1.00 0.00 N ATOM 284 CA SER A 22 6.115 4.530 -3.335 1.00 0.00 C ATOM 285 C SER A 22 5.092 3.826 -4.218 1.00 0.00 C ATOM 286 O SER A 22 4.296 4.460 -4.873 1.00 0.00 O ATOM 287 CB SER A 22 5.420 5.603 -2.527 1.00 0.00 C ATOM 288 OG SER A 22 5.307 5.178 -1.174 1.00 0.00 O ATOM 0 H SER A 22 6.795 6.047 -4.666 1.00 0.00 H new ATOM 0 HA SER A 22 6.591 3.803 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.982 6.535 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.431 5.802 -2.941 1.00 0.00 H new ATOM 0 HG SER A 22 4.763 5.821 -0.673 1.00 0.00 H new ATOM 294 N LYS A 23 5.111 2.518 -4.237 1.00 0.00 N ATOM 295 CA LYS A 23 4.143 1.767 -5.080 1.00 0.00 C ATOM 296 C LYS A 23 3.825 0.418 -4.443 1.00 0.00 C ATOM 297 O LYS A 23 4.696 -0.275 -3.957 1.00 0.00 O ATOM 298 CB LYS A 23 4.746 1.493 -6.454 1.00 0.00 C ATOM 299 CG LYS A 23 5.417 2.746 -7.013 1.00 0.00 C ATOM 300 CD LYS A 23 6.897 2.738 -6.640 1.00 0.00 C ATOM 301 CE LYS A 23 7.709 2.169 -7.804 1.00 0.00 C ATOM 302 NZ LYS A 23 8.417 0.934 -7.361 1.00 0.00 N ATOM 0 H LYS A 23 5.759 1.939 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 23 3.239 2.370 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.475 0.686 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.966 1.157 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.304 2.780 -8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.935 3.639 -6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.231 3.750 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.055 2.138 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.051 1.943 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.430 2.908 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.969 0.547 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.056 1.164 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.721 0.228 -7.047 1.00 0.00 H new ATOM 316 N PHE A 24 2.582 0.031 -4.465 1.00 0.00 N ATOM 317 CA PHE A 24 2.196 -1.290 -3.887 1.00 0.00 C ATOM 318 C PHE A 24 1.135 -1.935 -4.768 1.00 0.00 C ATOM 319 O PHE A 24 0.433 -1.268 -5.511 1.00 0.00 O ATOM 320 CB PHE A 24 1.641 -1.150 -2.458 1.00 0.00 C ATOM 321 CG PHE A 24 1.647 0.288 -2.039 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.864 0.951 -1.908 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.446 0.958 -1.791 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.893 2.290 -1.535 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.473 2.303 -1.411 1.00 0.00 C ATOM 326 CZ PHE A 24 1.700 2.966 -1.285 1.00 0.00 C ATOM 0 H PHE A 24 1.812 0.572 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 24 3.092 -1.909 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.626 -1.545 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.243 -1.740 -1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.788 0.424 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.496 0.440 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.837 2.805 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.450 2.829 -1.215 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.722 4.006 -0.993 1.00 0.00 H new ATOM 336 N LYS A 25 1.006 -3.231 -4.683 1.00 0.00 N ATOM 337 CA LYS A 25 -0.013 -3.930 -5.506 1.00 0.00 C ATOM 338 C LYS A 25 -1.044 -4.534 -4.561 1.00 0.00 C ATOM 339 O LYS A 25 -0.716 -5.005 -3.487 1.00 0.00 O ATOM 340 CB LYS A 25 0.655 -5.040 -6.321 1.00 0.00 C ATOM 341 CG LYS A 25 1.896 -4.485 -7.021 1.00 0.00 C ATOM 342 CD LYS A 25 3.131 -4.747 -6.157 1.00 0.00 C ATOM 343 CE LYS A 25 4.367 -4.853 -7.051 1.00 0.00 C ATOM 344 NZ LYS A 25 5.382 -5.725 -6.395 1.00 0.00 N ATOM 0 H LYS A 25 1.564 -3.834 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.491 -3.233 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.933 -5.868 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.044 -5.436 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.016 -4.955 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.781 -3.415 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.260 -3.941 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.001 -5.667 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.092 -5.264 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.785 -3.862 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.223 -5.797 -7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.652 -5.315 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.981 -6.673 -6.245 1.00 0.00 H new ATOM 358 N ILE A 26 -2.292 -4.489 -4.926 1.00 0.00 N ATOM 359 CA ILE A 26 -3.335 -5.024 -4.018 1.00 0.00 C ATOM 360 C ILE A 26 -3.972 -6.273 -4.607 1.00 0.00 C ATOM 361 O ILE A 26 -3.981 -6.482 -5.802 1.00 0.00 O ATOM 362 CB ILE A 26 -4.408 -3.963 -3.813 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.736 -2.592 -3.702 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.181 -4.274 -2.529 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.730 -1.575 -3.144 1.00 0.00 C ATOM 0 H ILE A 26 -2.632 -4.107 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.873 -5.284 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.100 -3.958 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.863 -2.656 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.382 -2.269 -4.681 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.951 -3.518 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.648 -5.255 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.495 -4.270 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.248 -0.600 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.590 -1.503 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.062 -1.895 -2.157 1.00 0.00 H new ATOM 377 N HIS A 27 -4.510 -7.101 -3.761 1.00 0.00 N ATOM 378 CA HIS A 27 -5.163 -8.343 -4.241 1.00 0.00 C ATOM 379 C HIS A 27 -6.393 -8.655 -3.383 1.00 0.00 C ATOM 380 O HIS A 27 -6.295 -8.919 -2.193 1.00 0.00 O ATOM 381 CB HIS A 27 -4.182 -9.510 -4.151 1.00 0.00 C ATOM 382 CG HIS A 27 -2.808 -9.035 -4.524 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.086 -8.174 -3.717 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.012 -9.289 -5.613 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.911 -7.941 -4.325 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.813 -8.596 -5.486 1.00 0.00 N ATOM 0 H HIS A 27 -4.525 -6.968 -2.750 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.470 -8.200 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.176 -9.918 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.494 -10.314 -4.817 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.390 -7.787 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.276 -9.929 -6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.139 -7.301 -3.924 1.00 0.00 H new ATOM 394 N ALA A 28 -7.549 -8.615 -3.984 1.00 0.00 N ATOM 395 CA ALA A 28 -8.805 -8.908 -3.233 1.00 0.00 C ATOM 396 C ALA A 28 -9.245 -10.360 -3.488 1.00 0.00 C ATOM 397 O ALA A 28 -9.272 -10.811 -4.610 1.00 0.00 O ATOM 398 CB ALA A 28 -9.899 -7.967 -3.731 1.00 0.00 C ATOM 0 H ALA A 28 -7.680 -8.390 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.632 -8.768 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.825 -8.168 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.596 -6.934 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.058 -8.126 -4.797 1.00 0.00 H new ATOM 404 N VAL A 29 -9.616 -11.094 -2.465 1.00 0.00 N ATOM 405 CA VAL A 29 -10.074 -12.499 -2.686 1.00 0.00 C ATOM 406 C VAL A 29 -11.512 -12.623 -2.191 1.00 0.00 C ATOM 407 O VAL A 29 -11.810 -12.413 -1.032 1.00 0.00 O ATOM 408 CB VAL A 29 -9.163 -13.481 -1.940 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.921 -14.784 -1.639 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.952 -13.800 -2.816 1.00 0.00 C ATOM 0 H VAL A 29 -9.621 -10.782 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.028 -12.741 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.843 -13.029 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.264 -15.473 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.791 -14.564 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.247 -15.240 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.298 -14.498 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.287 -14.248 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.405 -12.882 -3.029 1.00 0.00 H new ATOM 420 N ASP A 30 -12.399 -12.959 -3.074 1.00 0.00 N ATOM 421 CA ASP A 30 -13.833 -13.096 -2.706 1.00 0.00 C ATOM 422 C ASP A 30 -14.110 -14.551 -2.299 1.00 0.00 C ATOM 423 O ASP A 30 -13.193 -15.343 -2.204 1.00 0.00 O ATOM 424 CB ASP A 30 -14.680 -12.672 -3.916 1.00 0.00 C ATOM 425 CG ASP A 30 -14.997 -13.873 -4.812 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.184 -14.781 -4.861 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.048 -13.864 -5.432 1.00 0.00 O ATOM 0 H ASP A 30 -12.190 -13.149 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.089 -12.459 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.608 -12.215 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.146 -11.916 -4.491 1.00 0.00 H new ATOM 432 N PRO A 31 -15.355 -14.858 -2.047 1.00 0.00 N ATOM 433 CA PRO A 31 -15.759 -16.208 -1.625 1.00 0.00 C ATOM 434 C PRO A 31 -15.865 -17.165 -2.818 1.00 0.00 C ATOM 435 O PRO A 31 -16.505 -18.193 -2.728 1.00 0.00 O ATOM 436 CB PRO A 31 -17.131 -15.986 -0.985 1.00 0.00 C ATOM 437 CG PRO A 31 -17.681 -14.664 -1.573 1.00 0.00 C ATOM 438 CD PRO A 31 -16.475 -13.901 -2.155 1.00 0.00 C ATOM 0 HA PRO A 31 -15.037 -16.666 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.801 -16.817 -1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.047 -15.923 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.422 -14.864 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.176 -14.074 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.651 -13.609 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.274 -12.988 -1.595 1.00 0.00 H new ATOM 446 N ASP A 32 -15.247 -16.859 -3.934 1.00 0.00 N ATOM 447 CA ASP A 32 -15.343 -17.795 -5.088 1.00 0.00 C ATOM 448 C ASP A 32 -13.950 -18.329 -5.424 1.00 0.00 C ATOM 449 O ASP A 32 -13.754 -18.991 -6.423 1.00 0.00 O ATOM 450 CB ASP A 32 -15.910 -17.055 -6.302 1.00 0.00 C ATOM 451 CG ASP A 32 -17.403 -17.363 -6.441 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.010 -17.709 -5.442 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.912 -17.247 -7.544 1.00 0.00 O ATOM 0 H ASP A 32 -14.692 -16.018 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.001 -18.625 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.759 -15.981 -6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.380 -17.358 -7.205 1.00 0.00 H new ATOM 458 N GLY A 33 -12.971 -18.015 -4.618 1.00 0.00 N ATOM 459 CA GLY A 33 -11.590 -18.471 -4.920 1.00 0.00 C ATOM 460 C GLY A 33 -11.098 -17.603 -6.064 1.00 0.00 C ATOM 461 O GLY A 33 -10.414 -18.048 -6.963 1.00 0.00 O ATOM 0 H GLY A 33 -13.071 -17.463 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.946 -18.366 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.580 -19.525 -5.199 1.00 0.00 H new ATOM 465 N VAL A 34 -11.494 -16.361 -6.045 1.00 0.00 N ATOM 466 CA VAL A 34 -11.117 -15.438 -7.137 1.00 0.00 C ATOM 467 C VAL A 34 -11.031 -14.020 -6.586 1.00 0.00 C ATOM 468 O VAL A 34 -11.027 -13.804 -5.389 1.00 0.00 O ATOM 469 CB VAL A 34 -12.211 -15.485 -8.205 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.601 -15.201 -9.575 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.862 -16.870 -8.218 1.00 0.00 C ATOM 0 H VAL A 34 -12.068 -15.948 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.155 -15.728 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.966 -14.732 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.382 -15.235 -10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.141 -14.213 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.844 -15.952 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.641 -16.899 -8.980 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.108 -17.625 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.302 -17.074 -7.242 1.00 0.00 H new ATOM 481 N HIS A 35 -10.983 -13.050 -7.449 1.00 0.00 N ATOM 482 CA HIS A 35 -10.921 -11.645 -6.980 1.00 0.00 C ATOM 483 C HIS A 35 -12.313 -11.023 -7.096 1.00 0.00 C ATOM 484 O HIS A 35 -12.504 -10.014 -7.745 1.00 0.00 O ATOM 485 CB HIS A 35 -9.930 -10.870 -7.845 1.00 0.00 C ATOM 486 CG HIS A 35 -8.529 -11.204 -7.415 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.670 -10.583 -6.549 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -7.841 -12.297 -7.909 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.464 -11.273 -6.503 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.619 -12.299 -7.342 1.00 0.00 N flip ATOM 0 H HIS A 35 -10.984 -13.171 -8.462 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.593 -11.609 -5.941 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.071 -11.124 -8.896 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.106 -9.799 -7.750 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.215 -13.018 -8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.591 -11.031 -5.915 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.901 -12.998 -7.531 1.00 0.00 H new ATOM 498 N ARG A 36 -13.292 -11.631 -6.480 1.00 0.00 N ATOM 499 CA ARG A 36 -14.671 -11.094 -6.559 1.00 0.00 C ATOM 500 C ARG A 36 -15.038 -10.949 -8.022 1.00 0.00 C ATOM 501 O ARG A 36 -15.359 -9.874 -8.485 1.00 0.00 O ATOM 502 CB ARG A 36 -14.736 -9.733 -5.872 1.00 0.00 C ATOM 503 CG ARG A 36 -15.384 -9.903 -4.501 1.00 0.00 C ATOM 504 CD ARG A 36 -16.086 -8.605 -4.100 1.00 0.00 C ATOM 505 NE ARG A 36 -17.562 -8.787 -4.192 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.260 -8.046 -5.009 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.119 -6.749 -4.996 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.099 -8.602 -5.841 1.00 0.00 N ATOM 0 H ARG A 36 -13.190 -12.480 -5.924 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.367 -11.768 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.735 -9.316 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.312 -9.032 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.101 -10.723 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.628 -10.163 -3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.806 -8.327 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.768 -7.791 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.027 -9.490 -3.617 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.463 -6.314 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.665 -6.170 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.209 -9.616 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.644 -8.022 -6.479 1.00 0.00 H new ATOM 522 N THR A 37 -14.971 -12.020 -8.763 1.00 0.00 N ATOM 523 CA THR A 37 -15.290 -11.923 -10.213 1.00 0.00 C ATOM 524 C THR A 37 -14.553 -10.699 -10.778 1.00 0.00 C ATOM 525 O THR A 37 -15.064 -9.597 -10.743 1.00 0.00 O ATOM 526 CB THR A 37 -16.800 -11.744 -10.396 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.488 -12.672 -9.569 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.169 -11.989 -11.860 1.00 0.00 C ATOM 0 H THR A 37 -14.712 -12.949 -8.431 1.00 0.00 H new ATOM 0 HA THR A 37 -14.978 -12.829 -10.733 1.00 0.00 H new ATOM 0 HB THR A 37 -17.084 -10.729 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.455 -12.558 -9.683 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.244 -11.862 -11.991 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.640 -11.277 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.887 -13.004 -12.141 1.00 0.00 H new ATOM 536 N ASP A 38 -13.348 -10.872 -11.272 1.00 0.00 N ATOM 537 CA ASP A 38 -12.577 -9.707 -11.800 1.00 0.00 C ATOM 538 C ASP A 38 -13.507 -8.741 -12.535 1.00 0.00 C ATOM 539 O ASP A 38 -14.527 -9.127 -13.069 1.00 0.00 O ATOM 540 CB ASP A 38 -11.498 -10.202 -12.761 1.00 0.00 C ATOM 541 CG ASP A 38 -10.154 -9.586 -12.370 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.083 -8.371 -12.293 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.222 -10.341 -12.151 1.00 0.00 O ATOM 0 H ASP A 38 -12.868 -11.770 -11.331 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.114 -9.184 -10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.436 -11.290 -12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.753 -9.928 -13.785 1.00 0.00 H new ATOM 548 N GLY A 39 -13.158 -7.483 -12.562 1.00 0.00 N ATOM 549 CA GLY A 39 -14.020 -6.489 -13.259 1.00 0.00 C ATOM 550 C GLY A 39 -15.120 -5.978 -12.315 1.00 0.00 C ATOM 551 O GLY A 39 -15.590 -4.867 -12.456 1.00 0.00 O ATOM 0 H GLY A 39 -12.315 -7.102 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.413 -5.653 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.471 -6.944 -14.141 1.00 0.00 H new ATOM 555 N GLY A 40 -15.555 -6.774 -11.367 1.00 0.00 N ATOM 556 CA GLY A 40 -16.637 -6.302 -10.455 1.00 0.00 C ATOM 557 C GLY A 40 -16.163 -6.282 -8.994 1.00 0.00 C ATOM 558 O GLY A 40 -16.790 -6.860 -8.128 1.00 0.00 O ATOM 0 H GLY A 40 -15.211 -7.718 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.955 -5.302 -10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.506 -6.954 -10.549 1.00 0.00 H new ATOM 562 N ASP A 41 -15.086 -5.601 -8.700 1.00 0.00 N ATOM 563 CA ASP A 41 -14.618 -5.531 -7.281 1.00 0.00 C ATOM 564 C ASP A 41 -14.760 -4.090 -6.789 1.00 0.00 C ATOM 565 O ASP A 41 -14.198 -3.178 -7.360 1.00 0.00 O ATOM 566 CB ASP A 41 -13.147 -5.957 -7.172 1.00 0.00 C ATOM 567 CG ASP A 41 -13.042 -7.479 -7.272 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.740 -8.049 -8.095 1.00 0.00 O ATOM 569 OD2 ASP A 41 -12.264 -8.049 -6.525 1.00 0.00 O ATOM 0 H ASP A 41 -14.513 -5.093 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.221 -6.206 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.563 -5.490 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.729 -5.615 -6.225 1.00 0.00 H new ATOM 574 N GLY A 42 -15.500 -3.875 -5.732 1.00 0.00 N ATOM 575 CA GLY A 42 -15.656 -2.485 -5.211 1.00 0.00 C ATOM 576 C GLY A 42 -14.313 -2.038 -4.647 1.00 0.00 C ATOM 577 O GLY A 42 -14.161 -1.819 -3.463 1.00 0.00 O ATOM 0 H GLY A 42 -15.999 -4.596 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.977 -1.814 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.424 -2.452 -4.438 1.00 0.00 H new ATOM 581 N PHE A 43 -13.325 -1.939 -5.489 1.00 0.00 N ATOM 582 CA PHE A 43 -11.971 -1.554 -5.016 1.00 0.00 C ATOM 583 C PHE A 43 -11.743 -0.047 -5.132 1.00 0.00 C ATOM 584 O PHE A 43 -11.726 0.514 -6.209 1.00 0.00 O ATOM 585 CB PHE A 43 -10.931 -2.270 -5.871 1.00 0.00 C ATOM 586 CG PHE A 43 -9.957 -3.002 -4.985 1.00 0.00 C ATOM 587 CD1 PHE A 43 -10.354 -4.167 -4.319 1.00 0.00 C ATOM 588 CD2 PHE A 43 -8.649 -2.525 -4.841 1.00 0.00 C ATOM 589 CE1 PHE A 43 -9.445 -4.854 -3.511 1.00 0.00 C ATOM 590 CE2 PHE A 43 -7.741 -3.211 -4.030 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.137 -4.377 -3.365 1.00 0.00 C ATOM 0 H PHE A 43 -13.399 -2.110 -6.492 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.882 -1.836 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.422 -2.972 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.400 -1.549 -6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.363 -4.535 -4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.342 -1.627 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.752 -5.754 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.733 -2.841 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.434 -4.908 -2.740 1.00 0.00 H new ATOM 601 N VAL A 44 -11.509 0.594 -4.025 1.00 0.00 N ATOM 602 CA VAL A 44 -11.213 2.050 -4.043 1.00 0.00 C ATOM 603 C VAL A 44 -9.987 2.269 -3.152 1.00 0.00 C ATOM 604 O VAL A 44 -10.033 2.069 -1.954 1.00 0.00 O ATOM 605 CB VAL A 44 -12.423 2.874 -3.538 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.337 2.018 -2.658 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.944 4.090 -2.728 1.00 0.00 C ATOM 0 H VAL A 44 -11.510 0.167 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.014 2.387 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.981 3.212 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.179 2.619 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.707 1.170 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.777 1.655 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.807 4.658 -2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.364 3.750 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.321 4.725 -3.358 1.00 0.00 H new ATOM 617 N VAL A 45 -8.890 2.669 -3.729 1.00 0.00 N ATOM 618 CA VAL A 45 -7.662 2.887 -2.918 1.00 0.00 C ATOM 619 C VAL A 45 -7.247 4.344 -3.019 1.00 0.00 C ATOM 620 O VAL A 45 -7.536 5.018 -3.986 1.00 0.00 O ATOM 621 CB VAL A 45 -6.532 2.010 -3.451 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.394 1.956 -2.427 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.053 0.599 -3.714 1.00 0.00 C ATOM 0 H VAL A 45 -8.791 2.854 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.866 2.629 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.159 2.434 -4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.589 1.329 -2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.017 2.963 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.766 1.537 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.243 -0.023 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.433 0.172 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.856 0.639 -4.450 1.00 0.00 H new ATOM 633 N THR A 46 -6.571 4.839 -2.028 1.00 0.00 N ATOM 634 CA THR A 46 -6.143 6.255 -2.080 1.00 0.00 C ATOM 635 C THR A 46 -5.011 6.510 -1.088 1.00 0.00 C ATOM 636 O THR A 46 -5.108 6.213 0.089 1.00 0.00 O ATOM 637 CB THR A 46 -7.329 7.164 -1.752 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.353 6.402 -1.130 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.866 7.786 -3.042 1.00 0.00 C ATOM 0 H THR A 46 -6.298 4.327 -1.189 1.00 0.00 H new ATOM 0 HA THR A 46 -5.782 6.473 -3.085 1.00 0.00 H new ATOM 0 HB THR A 46 -7.005 7.955 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.112 6.985 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.711 8.434 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.080 8.372 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.190 6.996 -3.719 1.00 0.00 H new ATOM 647 N ILE A 47 -3.953 7.096 -1.561 1.00 0.00 N ATOM 648 CA ILE A 47 -2.809 7.436 -0.678 1.00 0.00 C ATOM 649 C ILE A 47 -2.579 8.930 -0.736 1.00 0.00 C ATOM 650 O ILE A 47 -2.900 9.582 -1.711 1.00 0.00 O ATOM 651 CB ILE A 47 -1.518 6.746 -1.144 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.433 5.329 -0.555 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.301 7.586 -0.698 1.00 0.00 C ATOM 654 CD1 ILE A 47 -0.008 5.086 -0.041 1.00 0.00 C ATOM 0 H ILE A 47 -3.830 7.358 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.048 7.102 0.332 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.521 6.667 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.151 5.215 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.691 4.590 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.617 7.099 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.363 8.580 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.297 7.672 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.061 4.082 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.698 5.184 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.231 5.819 0.730 1.00 0.00 H new ATOM 666 N GLU A 48 -1.972 9.475 0.270 1.00 0.00 N ATOM 667 CA GLU A 48 -1.677 10.924 0.202 1.00 0.00 C ATOM 668 C GLU A 48 -0.745 11.343 1.339 1.00 0.00 C ATOM 669 O GLU A 48 -0.701 10.743 2.398 1.00 0.00 O ATOM 670 CB GLU A 48 -2.977 11.734 0.275 1.00 0.00 C ATOM 671 CG GLU A 48 -4.061 10.922 0.990 1.00 0.00 C ATOM 672 CD GLU A 48 -4.908 11.856 1.858 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.714 13.056 1.767 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.738 11.352 2.599 1.00 0.00 O ATOM 0 H GLU A 48 -1.673 8.995 1.119 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.181 11.124 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.803 12.670 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.310 11.995 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.692 10.415 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.604 10.149 1.608 1.00 0.00 H new ATOM 681 N GLY A 49 -0.006 12.385 1.101 1.00 0.00 N ATOM 682 CA GLY A 49 0.946 12.919 2.111 1.00 0.00 C ATOM 683 C GLY A 49 1.198 14.392 1.779 1.00 0.00 C ATOM 684 O GLY A 49 0.499 14.962 0.965 1.00 0.00 O ATOM 0 H GLY A 49 -0.022 12.904 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.535 12.818 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.880 12.357 2.091 1.00 0.00 H new ATOM 688 N PRO A 50 2.178 14.970 2.412 1.00 0.00 N ATOM 689 CA PRO A 50 2.533 16.384 2.190 1.00 0.00 C ATOM 690 C PRO A 50 3.322 16.546 0.883 1.00 0.00 C ATOM 691 O PRO A 50 4.513 16.785 0.897 1.00 0.00 O ATOM 692 CB PRO A 50 3.405 16.725 3.401 1.00 0.00 C ATOM 693 CG PRO A 50 3.963 15.380 3.929 1.00 0.00 C ATOM 694 CD PRO A 50 3.025 14.277 3.401 1.00 0.00 C ATOM 0 HA PRO A 50 1.663 17.035 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.215 17.398 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.822 17.232 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.983 15.220 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.993 15.374 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.586 13.461 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.428 13.843 4.203 1.00 0.00 H new ATOM 702 N ALA A 51 2.673 16.417 -0.248 1.00 0.00 N ATOM 703 CA ALA A 51 3.403 16.565 -1.543 1.00 0.00 C ATOM 704 C ALA A 51 2.405 16.863 -2.672 1.00 0.00 C ATOM 705 O ALA A 51 1.213 16.897 -2.447 1.00 0.00 O ATOM 706 CB ALA A 51 4.155 15.268 -1.848 1.00 0.00 C ATOM 0 H ALA A 51 1.676 16.217 -0.330 1.00 0.00 H new ATOM 0 HA ALA A 51 4.112 17.390 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.690 15.371 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.867 15.064 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.445 14.444 -1.921 1.00 0.00 H new ATOM 712 N PRO A 52 2.931 17.070 -3.858 1.00 0.00 N ATOM 713 CA PRO A 52 2.116 17.367 -5.052 1.00 0.00 C ATOM 714 C PRO A 52 1.477 16.083 -5.592 1.00 0.00 C ATOM 715 O PRO A 52 0.292 16.030 -5.860 1.00 0.00 O ATOM 716 CB PRO A 52 3.129 17.938 -6.047 1.00 0.00 C ATOM 717 CG PRO A 52 4.518 17.421 -5.600 1.00 0.00 C ATOM 718 CD PRO A 52 4.385 17.028 -4.116 1.00 0.00 C ATOM 0 HA PRO A 52 1.294 18.054 -4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.902 17.613 -7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.102 19.028 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.825 16.565 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.278 18.191 -5.730 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.794 16.035 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.924 17.722 -3.471 1.00 0.00 H new ATOM 726 N VAL A 53 2.250 15.042 -5.735 1.00 0.00 N ATOM 727 CA VAL A 53 1.685 13.754 -6.235 1.00 0.00 C ATOM 728 C VAL A 53 1.194 12.960 -5.023 1.00 0.00 C ATOM 729 O VAL A 53 1.841 12.035 -4.572 1.00 0.00 O ATOM 730 CB VAL A 53 2.774 12.955 -6.961 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.935 13.482 -8.389 1.00 0.00 C ATOM 732 CG2 VAL A 53 4.103 13.099 -6.214 1.00 0.00 C ATOM 0 H VAL A 53 3.249 15.026 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 53 0.868 13.943 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 53 2.486 11.904 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.710 12.912 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.992 13.376 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.219 14.534 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.875 12.530 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.389 14.150 -6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.993 12.719 -5.198 1.00 0.00 H new ATOM 742 N ASP A 54 0.073 13.337 -4.462 1.00 0.00 N ATOM 743 CA ASP A 54 -0.423 12.629 -3.253 1.00 0.00 C ATOM 744 C ASP A 54 -1.410 11.501 -3.628 1.00 0.00 C ATOM 745 O ASP A 54 -1.095 10.343 -3.436 1.00 0.00 O ATOM 746 CB ASP A 54 -1.079 13.658 -2.326 1.00 0.00 C ATOM 747 CG ASP A 54 0.000 14.349 -1.487 1.00 0.00 C ATOM 748 OD1 ASP A 54 0.981 13.701 -1.163 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.173 15.521 -1.187 1.00 0.00 O ATOM 0 H ASP A 54 -0.516 14.102 -4.791 1.00 0.00 H new ATOM 0 HA ASP A 54 0.412 12.153 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.626 14.396 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.803 13.168 -1.675 1.00 0.00 H new ATOM 754 N PRO A 55 -2.570 11.848 -4.147 1.00 0.00 N ATOM 755 CA PRO A 55 -3.587 10.844 -4.538 1.00 0.00 C ATOM 756 C PRO A 55 -3.183 10.121 -5.828 1.00 0.00 C ATOM 757 O PRO A 55 -3.303 10.659 -6.911 1.00 0.00 O ATOM 758 CB PRO A 55 -4.848 11.678 -4.772 1.00 0.00 C ATOM 759 CG PRO A 55 -4.363 13.115 -5.064 1.00 0.00 C ATOM 760 CD PRO A 55 -2.983 13.247 -4.396 1.00 0.00 C ATOM 0 HA PRO A 55 -3.717 10.068 -3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.426 11.284 -5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.498 11.656 -3.897 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.294 13.292 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.061 13.850 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.274 13.763 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.041 13.817 -3.469 1.00 0.00 H new ATOM 768 N VAL A 56 -2.702 8.908 -5.728 1.00 0.00 N ATOM 769 CA VAL A 56 -2.294 8.173 -6.946 1.00 0.00 C ATOM 770 C VAL A 56 -2.764 6.725 -6.864 1.00 0.00 C ATOM 771 O VAL A 56 -2.102 5.887 -6.286 1.00 0.00 O ATOM 772 CB VAL A 56 -0.789 8.156 -7.010 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.349 7.698 -8.403 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.240 9.555 -6.729 1.00 0.00 C ATOM 0 H VAL A 56 -2.577 8.401 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.729 8.659 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.402 7.467 -6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.740 7.684 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.734 6.697 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.739 8.387 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.849 9.535 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.623 10.253 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.554 9.876 -5.736 1.00 0.00 H new ATOM 784 N MET A 57 -3.885 6.412 -7.433 1.00 0.00 N ATOM 785 CA MET A 57 -4.348 5.000 -7.369 1.00 0.00 C ATOM 786 C MET A 57 -4.978 4.575 -8.699 1.00 0.00 C ATOM 787 O MET A 57 -5.724 5.312 -9.314 1.00 0.00 O ATOM 788 CB MET A 57 -5.351 4.849 -6.225 1.00 0.00 C ATOM 789 CG MET A 57 -6.656 5.557 -6.597 1.00 0.00 C ATOM 790 SD MET A 57 -7.858 4.345 -7.197 1.00 0.00 S ATOM 791 CE MET A 57 -9.208 5.506 -7.522 1.00 0.00 C ATOM 0 H MET A 57 -4.496 7.058 -7.933 1.00 0.00 H new ATOM 0 HA MET A 57 -3.492 4.351 -7.184 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.540 3.794 -6.029 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.942 5.275 -5.309 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.056 6.082 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.468 6.308 -7.365 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.071 4.962 -7.907 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.482 6.013 -6.597 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.885 6.243 -8.258 1.00 0.00 H new ATOM 801 N VAL A 58 -4.670 3.382 -9.147 1.00 0.00 N ATOM 802 CA VAL A 58 -5.231 2.891 -10.436 1.00 0.00 C ATOM 803 C VAL A 58 -5.720 1.446 -10.266 1.00 0.00 C ATOM 804 O VAL A 58 -5.259 0.719 -9.403 1.00 0.00 O ATOM 805 CB VAL A 58 -4.156 2.912 -11.529 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.757 3.454 -12.828 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.984 3.802 -11.106 1.00 0.00 C ATOM 0 H VAL A 58 -4.051 2.727 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.057 3.542 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.794 1.896 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.992 3.469 -13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.581 2.814 -13.143 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.126 4.466 -12.663 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.229 3.807 -11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.341 4.818 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.547 3.415 -10.185 1.00 0.00 H new ATOM 817 N ASP A 59 -6.640 1.024 -11.092 1.00 0.00 N ATOM 818 CA ASP A 59 -7.159 -0.369 -10.997 1.00 0.00 C ATOM 819 C ASP A 59 -6.710 -1.163 -12.229 1.00 0.00 C ATOM 820 O ASP A 59 -6.774 -0.685 -13.344 1.00 0.00 O ATOM 821 CB ASP A 59 -8.689 -0.335 -10.941 1.00 0.00 C ATOM 822 CG ASP A 59 -9.245 -1.744 -11.160 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.539 -2.691 -10.857 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.368 -1.850 -11.623 1.00 0.00 O ATOM 0 H ASP A 59 -7.056 1.589 -11.832 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.771 -0.845 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.019 0.050 -9.976 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.075 0.341 -11.703 1.00 0.00 H new ATOM 829 N ASN A 60 -6.243 -2.369 -12.036 1.00 0.00 N ATOM 830 CA ASN A 60 -5.778 -3.184 -13.199 1.00 0.00 C ATOM 831 C ASN A 60 -6.939 -3.989 -13.790 1.00 0.00 C ATOM 832 O ASN A 60 -6.861 -4.466 -14.905 1.00 0.00 O ATOM 833 CB ASN A 60 -4.678 -4.147 -12.744 1.00 0.00 C ATOM 834 CG ASN A 60 -3.430 -3.359 -12.341 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.879 -3.576 -11.280 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.957 -2.447 -13.147 1.00 0.00 N ATOM 0 H ASN A 60 -6.163 -2.824 -11.127 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.390 -2.510 -13.962 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.030 -4.743 -11.902 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.436 -4.842 -13.548 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.125 -1.917 -12.886 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.419 -2.264 -14.038 1.00 0.00 H new ATOM 843 N GLY A 61 -8.014 -4.145 -13.072 1.00 0.00 N ATOM 844 CA GLY A 61 -9.155 -4.917 -13.625 1.00 0.00 C ATOM 845 C GLY A 61 -8.818 -6.409 -13.601 1.00 0.00 C ATOM 846 O GLY A 61 -9.482 -7.214 -14.223 1.00 0.00 O ATOM 0 H GLY A 61 -8.150 -3.773 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.055 -4.727 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.365 -4.597 -14.646 1.00 0.00 H new ATOM 850 N ASP A 62 -7.788 -6.781 -12.891 1.00 0.00 N ATOM 851 CA ASP A 62 -7.403 -8.220 -12.827 1.00 0.00 C ATOM 852 C ASP A 62 -7.437 -8.690 -11.371 1.00 0.00 C ATOM 853 O ASP A 62 -6.638 -9.501 -10.949 1.00 0.00 O ATOM 854 CB ASP A 62 -5.990 -8.396 -13.386 1.00 0.00 C ATOM 855 CG ASP A 62 -4.982 -7.735 -12.444 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.380 -6.842 -11.714 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.829 -8.133 -12.468 1.00 0.00 O ATOM 0 H ASP A 62 -7.196 -6.150 -12.352 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.103 -8.811 -13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.760 -9.456 -13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.922 -7.951 -14.379 1.00 0.00 H new ATOM 862 N GLY A 63 -8.366 -8.188 -10.601 1.00 0.00 N ATOM 863 CA GLY A 63 -8.464 -8.607 -9.173 1.00 0.00 C ATOM 864 C GLY A 63 -7.348 -7.953 -8.347 1.00 0.00 C ATOM 865 O GLY A 63 -7.293 -8.093 -7.134 1.00 0.00 O ATOM 0 H GLY A 63 -9.062 -7.505 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.437 -8.325 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.391 -9.692 -9.100 1.00 0.00 H new ATOM 869 N THR A 64 -6.456 -7.245 -8.988 1.00 0.00 N ATOM 870 CA THR A 64 -5.348 -6.597 -8.241 1.00 0.00 C ATOM 871 C THR A 64 -5.296 -5.107 -8.583 1.00 0.00 C ATOM 872 O THR A 64 -5.587 -4.708 -9.693 1.00 0.00 O ATOM 873 CB THR A 64 -4.025 -7.251 -8.632 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.731 -6.939 -9.990 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.134 -8.768 -8.458 1.00 0.00 C ATOM 0 H THR A 64 -6.450 -7.090 -9.996 1.00 0.00 H new ATOM 0 HA THR A 64 -5.516 -6.716 -7.171 1.00 0.00 H new ATOM 0 HB THR A 64 -3.225 -6.875 -7.994 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.525 -6.556 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.190 -9.235 -8.737 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.360 -9.000 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.931 -9.151 -9.096 1.00 0.00 H new ATOM 883 N TYR A 65 -4.931 -4.281 -7.641 1.00 0.00 N ATOM 884 CA TYR A 65 -4.868 -2.819 -7.922 1.00 0.00 C ATOM 885 C TYR A 65 -3.475 -2.281 -7.605 1.00 0.00 C ATOM 886 O TYR A 65 -2.746 -2.846 -6.814 1.00 0.00 O ATOM 887 CB TYR A 65 -5.916 -2.105 -7.076 1.00 0.00 C ATOM 888 CG TYR A 65 -7.260 -2.688 -7.418 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.548 -4.013 -7.074 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.206 -1.918 -8.100 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.784 -4.568 -7.410 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.440 -2.474 -8.440 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.731 -3.798 -8.094 1.00 0.00 C ATOM 894 OH TYR A 65 -10.949 -4.344 -8.433 1.00 0.00 O ATOM 0 H TYR A 65 -4.675 -4.554 -6.692 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.071 -2.641 -8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.703 -2.234 -6.015 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.903 -1.034 -7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.814 -4.606 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.983 -0.895 -8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.009 -5.590 -7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.171 -1.882 -8.971 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.488 -3.674 -8.903 1.00 0.00 H new ATOM 904 N ASP A 66 -3.090 -1.197 -8.226 1.00 0.00 N ATOM 905 CA ASP A 66 -1.734 -0.642 -7.963 1.00 0.00 C ATOM 906 C ASP A 66 -1.841 0.837 -7.597 1.00 0.00 C ATOM 907 O ASP A 66 -2.493 1.609 -8.269 1.00 0.00 O ATOM 908 CB ASP A 66 -0.871 -0.791 -9.217 1.00 0.00 C ATOM 909 CG ASP A 66 -1.644 -0.287 -10.437 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.620 0.908 -10.676 1.00 0.00 O ATOM 911 OD2 ASP A 66 -2.249 -1.106 -11.110 1.00 0.00 O ATOM 0 H ASP A 66 -3.653 -0.677 -8.899 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.279 -1.186 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.055 -0.227 -9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.593 -1.836 -9.357 1.00 0.00 H new ATOM 916 N VAL A 67 -1.198 1.237 -6.536 1.00 0.00 N ATOM 917 CA VAL A 67 -1.255 2.668 -6.131 1.00 0.00 C ATOM 918 C VAL A 67 0.183 3.184 -5.965 1.00 0.00 C ATOM 919 O VAL A 67 1.049 2.450 -5.532 1.00 0.00 O ATOM 920 CB VAL A 67 -2.026 2.782 -4.814 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.248 1.865 -4.855 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.155 2.348 -3.661 1.00 0.00 C ATOM 0 H VAL A 67 -0.637 0.636 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.765 3.266 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.330 3.820 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.796 1.947 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.896 2.159 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.925 0.834 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.715 2.434 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.849 1.312 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.271 2.984 -3.613 1.00 0.00 H new ATOM 932 N GLU A 68 0.468 4.425 -6.310 1.00 0.00 N ATOM 933 CA GLU A 68 1.885 4.901 -6.160 1.00 0.00 C ATOM 934 C GLU A 68 1.979 6.413 -5.961 1.00 0.00 C ATOM 935 O GLU A 68 1.484 7.187 -6.736 1.00 0.00 O ATOM 936 CB GLU A 68 2.687 4.585 -7.420 1.00 0.00 C ATOM 937 CG GLU A 68 2.548 3.110 -7.804 1.00 0.00 C ATOM 938 CD GLU A 68 1.229 2.892 -8.548 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.509 3.860 -8.733 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.961 1.762 -8.918 1.00 0.00 O ATOM 0 H GLU A 68 -0.196 5.107 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 68 2.278 4.387 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.342 5.212 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.738 4.824 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.385 2.808 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.579 2.487 -6.910 1.00 0.00 H new ATOM 947 N PHE A 69 2.707 6.827 -4.975 1.00 0.00 N ATOM 948 CA PHE A 69 2.920 8.291 -4.751 1.00 0.00 C ATOM 949 C PHE A 69 4.423 8.508 -4.497 1.00 0.00 C ATOM 950 O PHE A 69 5.132 7.587 -4.118 1.00 0.00 O ATOM 951 CB PHE A 69 2.087 8.810 -3.561 1.00 0.00 C ATOM 952 CG PHE A 69 2.602 8.220 -2.287 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.568 6.838 -2.092 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.106 9.061 -1.294 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.038 6.299 -0.896 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.578 8.520 -0.102 1.00 0.00 C ATOM 957 CZ PHE A 69 3.541 7.134 0.092 1.00 0.00 C ATOM 0 H PHE A 69 3.172 6.217 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 69 2.593 8.849 -5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.139 9.898 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.038 8.546 -3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.180 6.190 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.130 10.129 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.011 5.231 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.971 9.166 0.669 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.906 6.712 1.017 1.00 0.00 H new ATOM 967 N GLU A 70 4.936 9.687 -4.735 1.00 0.00 N ATOM 968 CA GLU A 70 6.400 9.907 -4.522 1.00 0.00 C ATOM 969 C GLU A 70 6.665 11.369 -4.111 1.00 0.00 C ATOM 970 O GLU A 70 6.755 12.240 -4.954 1.00 0.00 O ATOM 971 CB GLU A 70 7.142 9.601 -5.823 1.00 0.00 C ATOM 972 CG GLU A 70 8.624 9.947 -5.659 1.00 0.00 C ATOM 973 CD GLU A 70 9.062 10.873 -6.794 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.380 10.367 -7.857 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.071 12.074 -6.581 1.00 0.00 O ATOM 0 H GLU A 70 4.413 10.499 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 70 6.752 9.250 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.030 8.547 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.712 10.176 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.791 10.431 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.224 9.037 -5.667 1.00 0.00 H new ATOM 982 N PRO A 71 6.776 11.590 -2.821 1.00 0.00 N ATOM 983 CA PRO A 71 7.027 12.934 -2.247 1.00 0.00 C ATOM 984 C PRO A 71 8.509 13.337 -2.355 1.00 0.00 C ATOM 985 O PRO A 71 9.334 12.592 -2.845 1.00 0.00 O ATOM 986 CB PRO A 71 6.623 12.771 -0.779 1.00 0.00 C ATOM 987 CG PRO A 71 6.718 11.258 -0.465 1.00 0.00 C ATOM 988 CD PRO A 71 6.653 10.519 -1.813 1.00 0.00 C ATOM 0 HA PRO A 71 6.476 13.716 -2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.283 13.345 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.611 13.140 -0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.647 11.029 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.902 10.946 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.458 9.790 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.715 9.974 -1.923 1.00 0.00 H new ATOM 996 N LYS A 72 8.843 14.524 -1.898 1.00 0.00 N ATOM 997 CA LYS A 72 10.264 15.003 -1.969 1.00 0.00 C ATOM 998 C LYS A 72 10.646 15.751 -0.681 1.00 0.00 C ATOM 999 O LYS A 72 11.440 16.666 -0.710 1.00 0.00 O ATOM 1000 CB LYS A 72 10.441 15.958 -3.152 1.00 0.00 C ATOM 1001 CG LYS A 72 9.079 16.466 -3.638 1.00 0.00 C ATOM 1002 CD LYS A 72 9.237 17.867 -4.233 1.00 0.00 C ATOM 1003 CE LYS A 72 10.238 17.823 -5.389 1.00 0.00 C ATOM 1004 NZ LYS A 72 9.515 18.010 -6.680 1.00 0.00 N ATOM 0 H LYS A 72 8.189 15.184 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 72 10.906 14.131 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.066 16.801 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.957 15.448 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.672 15.786 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.371 16.489 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.273 18.234 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.581 18.562 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.989 18.603 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.766 16.870 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.195 17.980 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.815 17.250 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.030 18.930 -6.676 1.00 0.00 H new ATOM 1018 N GLU A 73 10.098 15.395 0.448 1.00 0.00 N ATOM 1019 CA GLU A 73 10.469 16.105 1.690 1.00 0.00 C ATOM 1020 C GLU A 73 10.249 15.164 2.872 1.00 0.00 C ATOM 1021 O GLU A 73 10.082 13.973 2.709 1.00 0.00 O ATOM 1022 CB GLU A 73 9.601 17.357 1.837 1.00 0.00 C ATOM 1023 CG GLU A 73 8.139 16.953 2.044 1.00 0.00 C ATOM 1024 CD GLU A 73 7.456 17.971 2.959 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.155 18.812 3.499 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.248 17.891 3.106 1.00 0.00 O ATOM 0 H GLU A 73 9.414 14.647 0.558 1.00 0.00 H new ATOM 0 HA GLU A 73 11.515 16.408 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.946 17.953 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.693 17.981 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.624 16.906 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.084 15.957 2.484 1.00 0.00 H new ATOM 1033 N ALA A 74 10.204 15.696 4.052 1.00 0.00 N ATOM 1034 CA ALA A 74 9.941 14.849 5.246 1.00 0.00 C ATOM 1035 C ALA A 74 8.427 14.823 5.430 1.00 0.00 C ATOM 1036 O ALA A 74 7.797 15.849 5.592 1.00 0.00 O ATOM 1037 CB ALA A 74 10.619 15.454 6.477 1.00 0.00 C ATOM 0 H ALA A 74 10.339 16.688 4.247 1.00 0.00 H new ATOM 0 HA ALA A 74 10.337 13.842 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.421 14.827 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.694 15.512 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.225 16.455 6.654 1.00 0.00 H new ATOM 1043 N GLY A 75 7.822 13.676 5.336 1.00 0.00 N ATOM 1044 CA GLY A 75 6.339 13.624 5.432 1.00 0.00 C ATOM 1045 C GLY A 75 5.867 12.222 5.801 1.00 0.00 C ATOM 1046 O GLY A 75 6.589 11.257 5.692 1.00 0.00 O ATOM 0 H GLY A 75 8.285 12.778 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.994 14.337 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.898 13.922 4.481 1.00 0.00 H new ATOM 1050 N ASP A 76 4.648 12.112 6.238 1.00 0.00 N ATOM 1051 CA ASP A 76 4.100 10.784 6.616 1.00 0.00 C ATOM 1052 C ASP A 76 3.024 10.422 5.603 1.00 0.00 C ATOM 1053 O ASP A 76 2.497 11.270 4.912 1.00 0.00 O ATOM 1054 CB ASP A 76 3.491 10.853 8.019 1.00 0.00 C ATOM 1055 CG ASP A 76 2.437 11.961 8.064 1.00 0.00 C ATOM 1056 OD1 ASP A 76 2.582 12.919 7.322 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.504 11.833 8.839 1.00 0.00 O ATOM 0 H ASP A 76 4.001 12.893 6.351 1.00 0.00 H new ATOM 0 HA ASP A 76 4.889 10.032 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.039 9.896 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.270 11.047 8.756 1.00 0.00 H new ATOM 1062 N TYR A 77 2.730 9.167 5.472 1.00 0.00 N ATOM 1063 CA TYR A 77 1.729 8.751 4.456 1.00 0.00 C ATOM 1064 C TYR A 77 0.482 8.223 5.119 1.00 0.00 C ATOM 1065 O TYR A 77 0.531 7.486 6.080 1.00 0.00 O ATOM 1066 CB TYR A 77 2.272 7.602 3.618 1.00 0.00 C ATOM 1067 CG TYR A 77 3.679 7.869 3.196 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.088 9.169 2.916 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.561 6.799 3.040 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.390 9.407 2.477 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.860 7.030 2.595 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.281 8.337 2.312 1.00 0.00 C ATOM 1073 OH TYR A 77 7.566 8.570 1.870 1.00 0.00 O ATOM 0 H TYR A 77 3.137 8.410 6.021 1.00 0.00 H new ATOM 0 HA TYR A 77 1.513 9.628 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.230 6.676 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.645 7.460 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.399 9.992 3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.237 5.794 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.712 10.416 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.543 6.203 2.468 1.00 0.00 H new ATOM 0 HH TYR A 77 7.885 9.425 2.228 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.632 8.551 4.557 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.909 8.028 5.078 1.00 0.00 C ATOM 1085 C VAL A 78 -2.484 7.170 3.971 1.00 0.00 C ATOM 1086 O VAL A 78 -2.510 7.565 2.809 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.855 9.164 5.429 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.745 10.258 4.372 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.289 8.632 5.491 1.00 0.00 C ATOM 0 H VAL A 78 -0.715 9.167 3.748 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.763 7.454 5.993 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.589 9.580 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.423 11.074 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.722 10.632 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.012 9.850 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.969 9.446 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.565 8.216 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.356 7.855 6.252 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.878 5.981 4.299 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.380 5.069 3.233 1.00 0.00 C ATOM 1101 C ILE A 79 -4.882 4.867 3.292 1.00 0.00 C ATOM 1102 O ILE A 79 -5.534 5.033 4.301 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.691 3.698 3.333 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.631 3.701 4.444 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.019 3.370 1.999 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.542 4.725 4.115 1.00 0.00 C ATOM 0 H ILE A 79 -2.877 5.599 5.245 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.142 5.548 2.283 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.445 2.947 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.094 3.943 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.192 2.708 4.544 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.530 2.398 2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.770 3.343 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.277 4.134 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.209 4.725 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.071 4.464 3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.987 5.717 4.038 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.413 4.480 2.180 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.853 4.194 2.074 1.00 0.00 C ATOM 1120 C ASN A 80 -7.024 3.111 1.008 1.00 0.00 C ATOM 1121 O ASN A 80 -6.784 3.328 -0.163 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.600 5.456 1.667 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.011 6.666 2.394 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.268 6.840 3.662 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -6.309 7.463 1.803 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.891 4.346 1.314 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.255 3.857 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.530 5.599 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.659 5.356 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.107 7.328 0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.922 8.266 2.298 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.439 1.950 1.410 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.640 0.832 0.448 1.00 0.00 C ATOM 1134 C LEU A 81 -8.945 0.172 0.834 1.00 0.00 C ATOM 1135 O LEU A 81 -9.089 -0.350 1.919 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.476 -0.164 0.551 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.801 -1.489 -0.150 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.571 -2.387 0.809 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.641 -1.249 -1.402 1.00 0.00 C ATOM 0 H LEU A 81 -7.652 1.721 2.381 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.672 1.187 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.582 0.273 0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.250 -0.353 1.600 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.867 -1.967 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.805 -3.330 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.964 -2.581 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.497 -1.894 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.859 -2.203 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.575 -0.760 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.089 -0.612 -2.094 1.00 0.00 H new ATOM 1151 N THR A 82 -9.917 0.251 -0.011 1.00 0.00 N ATOM 1152 CA THR A 82 -11.244 -0.306 0.362 1.00 0.00 C ATOM 1153 C THR A 82 -11.763 -1.307 -0.664 1.00 0.00 C ATOM 1154 O THR A 82 -11.742 -1.070 -1.856 1.00 0.00 O ATOM 1155 CB THR A 82 -12.219 0.868 0.463 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.943 1.797 -0.575 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.051 1.561 1.812 1.00 0.00 C ATOM 0 H THR A 82 -9.859 0.672 -0.938 1.00 0.00 H new ATOM 0 HA THR A 82 -11.150 -0.841 1.307 1.00 0.00 H new ATOM 0 HB THR A 82 -13.240 0.499 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.420 1.357 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.747 2.397 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.256 0.851 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.030 1.930 1.907 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.268 -2.417 -0.193 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.842 -3.435 -1.135 1.00 0.00 C ATOM 1167 C LEU A 83 -14.107 -4.034 -0.516 1.00 0.00 C ATOM 1168 O LEU A 83 -14.089 -5.142 -0.032 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.826 -4.554 -1.423 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.401 -5.577 -2.435 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -12.982 -6.770 -1.680 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.514 -4.945 -3.288 1.00 0.00 C ATOM 0 H LEU A 83 -12.310 -2.666 0.795 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.083 -2.944 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.907 -4.123 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.566 -5.062 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.591 -5.897 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.386 -7.489 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.198 -7.245 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.778 -6.429 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.899 -5.685 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.321 -4.605 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.111 -4.096 -3.841 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.190 -3.286 -0.533 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.500 -3.741 0.043 1.00 0.00 C ATOM 1186 C ASP A 84 -17.187 -2.534 0.674 1.00 0.00 C ATOM 1187 O ASP A 84 -18.393 -2.484 0.807 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.328 -4.835 1.105 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.252 -6.207 0.429 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.040 -6.241 -0.771 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.409 -7.196 1.125 1.00 0.00 O ATOM 0 H ASP A 84 -15.219 -2.349 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.097 -4.167 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.422 -4.654 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.163 -4.810 1.805 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.412 -1.564 1.075 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.992 -0.356 1.714 1.00 0.00 C ATOM 1198 C GLY A 85 -16.163 0.026 2.947 1.00 0.00 C ATOM 1199 O GLY A 85 -16.472 0.981 3.632 1.00 0.00 O ATOM 0 H GLY A 85 -15.396 -1.559 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.007 0.471 1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.025 -0.547 2.004 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.108 -0.699 3.243 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.286 -0.342 4.428 1.00 0.00 C ATOM 1205 C ASP A 86 -12.816 -0.363 4.021 1.00 0.00 C ATOM 1206 O ASP A 86 -12.486 -0.707 2.908 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.523 -1.357 5.547 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.227 -2.764 5.027 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.060 -3.082 4.866 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.173 -3.500 4.797 1.00 0.00 O ATOM 0 H ASP A 86 -14.789 -1.513 2.717 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.562 0.649 4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.883 -1.131 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.554 -1.296 5.896 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.927 -0.003 4.903 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.483 -0.014 4.534 1.00 0.00 C ATOM 1217 C ASN A 87 -9.812 -1.246 5.137 1.00 0.00 C ATOM 1218 O ASN A 87 -10.256 -1.781 6.133 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.789 1.256 5.053 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.625 1.907 6.160 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.348 1.734 7.330 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -11.648 2.653 5.835 1.00 0.00 N ATOM 0 H ASN A 87 -12.134 0.296 5.856 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.397 -0.043 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.799 1.007 5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.647 1.961 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.213 3.089 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.881 2.799 4.853 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.747 -1.707 4.538 1.00 0.00 N ATOM 1230 CA VAL A 88 -8.063 -2.912 5.083 1.00 0.00 C ATOM 1231 C VAL A 88 -7.460 -2.562 6.457 1.00 0.00 C ATOM 1232 O VAL A 88 -7.457 -1.415 6.861 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.972 -3.369 4.106 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.965 -4.276 4.816 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.623 -4.155 2.966 1.00 0.00 C ATOM 0 H VAL A 88 -8.325 -1.304 3.701 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.774 -3.729 5.206 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.453 -2.492 3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.198 -4.591 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.500 -3.730 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.479 -5.153 5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.855 -4.484 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.140 -5.024 3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.338 -3.517 2.446 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.984 -3.535 7.198 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.430 -3.241 8.561 1.00 0.00 C ATOM 1247 C ASN A 89 -5.014 -2.663 8.492 1.00 0.00 C ATOM 1248 O ASN A 89 -4.298 -2.642 9.473 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.410 -4.527 9.385 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.686 -5.326 9.120 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -8.749 -4.968 9.587 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -7.625 -6.401 8.383 1.00 0.00 N ATOM 0 H ASN A 89 -6.955 -4.516 6.921 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.073 -2.495 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.535 -5.123 9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.331 -4.290 10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.470 -6.941 8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.732 -6.701 7.991 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.609 -2.182 7.360 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.242 -1.592 7.247 1.00 0.00 C ATOM 1261 C GLY A 90 -3.305 -0.317 6.401 1.00 0.00 C ATOM 1262 O GLY A 90 -2.294 0.218 5.988 1.00 0.00 O ATOM 0 H GLY A 90 -5.161 -2.168 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.849 -1.365 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.561 -2.310 6.791 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.487 0.150 6.107 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.627 1.359 5.253 1.00 0.00 C ATOM 1268 C PHE A 91 -5.079 2.596 6.022 1.00 0.00 C ATOM 1269 O PHE A 91 -4.577 3.664 5.753 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.603 1.052 4.148 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.785 0.611 2.985 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.333 -0.702 2.921 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.448 1.521 1.991 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.546 -1.111 1.851 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.662 1.124 0.917 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.208 -0.198 0.841 1.00 0.00 C ATOM 0 H PHE A 91 -5.366 -0.258 6.425 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.641 1.598 4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.302 0.272 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.196 1.931 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.593 -1.403 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.798 2.541 2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.195 -2.131 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.402 1.832 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.599 -0.514 0.007 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.965 2.465 6.981 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.393 3.631 7.752 1.00 0.00 C ATOM 1288 C PRO A 92 -5.257 4.026 8.691 1.00 0.00 C ATOM 1289 O PRO A 92 -5.425 4.809 9.605 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.637 3.147 8.502 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.544 1.608 8.546 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.588 1.196 7.409 1.00 0.00 C ATOM 0 HA PRO A 92 -6.625 4.513 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.671 3.563 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.547 3.467 7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.168 1.269 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.526 1.156 8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.840 0.483 7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.126 0.720 6.589 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.084 3.491 8.450 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.919 3.820 9.286 1.00 0.00 C ATOM 1302 C LYS A 93 -2.070 4.840 8.546 1.00 0.00 C ATOM 1303 O LYS A 93 -2.325 5.177 7.396 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.114 2.544 9.535 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.137 2.769 10.690 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.015 1.485 11.515 1.00 0.00 C ATOM 1307 CE LYS A 93 -1.101 1.825 13.003 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.064 2.670 13.388 1.00 0.00 N ATOM 0 H LYS A 93 -3.896 2.832 7.695 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.234 4.235 10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.786 1.718 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.569 2.265 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.160 3.059 10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.485 3.587 11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.809 0.789 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.069 0.989 11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.031 2.352 13.213 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.112 0.910 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.130 2.719 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.937 2.254 13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.060 3.628 13.003 1.00 0.00 H new ATOM 1322 N THR A 94 -1.073 5.345 9.197 1.00 0.00 N ATOM 1323 CA THR A 94 -0.218 6.353 8.549 1.00 0.00 C ATOM 1324 C THR A 94 1.239 5.960 8.686 1.00 0.00 C ATOM 1325 O THR A 94 1.717 5.655 9.760 1.00 0.00 O ATOM 1326 CB THR A 94 -0.449 7.702 9.219 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.828 8.035 9.143 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.379 8.766 8.511 1.00 0.00 C ATOM 0 H THR A 94 -0.814 5.101 10.153 1.00 0.00 H new ATOM 0 HA THR A 94 -0.468 6.417 7.490 1.00 0.00 H new ATOM 0 HB THR A 94 -0.148 7.650 10.265 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.980 8.902 9.575 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.215 9.732 8.989 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.436 8.505 8.572 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.080 8.823 7.464 1.00 0.00 H new ATOM 1336 N VAL A 95 1.957 5.990 7.606 1.00 0.00 N ATOM 1337 CA VAL A 95 3.401 5.640 7.693 1.00 0.00 C ATOM 1338 C VAL A 95 4.195 6.947 7.764 1.00 0.00 C ATOM 1339 O VAL A 95 3.709 7.989 7.371 1.00 0.00 O ATOM 1340 CB VAL A 95 3.824 4.781 6.492 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.331 4.855 6.280 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.461 3.325 6.767 1.00 0.00 C ATOM 0 H VAL A 95 1.616 6.238 6.677 1.00 0.00 H new ATOM 0 HA VAL A 95 3.599 5.045 8.585 1.00 0.00 H new ATOM 0 HB VAL A 95 3.312 5.154 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.609 4.239 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.622 5.889 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.842 4.490 7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.759 2.709 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.980 2.984 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.385 3.240 6.917 1.00 0.00 H new ATOM 1352 N THR A 96 5.378 6.929 8.317 1.00 0.00 N ATOM 1353 CA THR A 96 6.122 8.214 8.459 1.00 0.00 C ATOM 1354 C THR A 96 7.469 8.218 7.728 1.00 0.00 C ATOM 1355 O THR A 96 8.242 7.284 7.787 1.00 0.00 O ATOM 1356 CB THR A 96 6.372 8.480 9.945 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.138 8.423 10.648 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.997 9.865 10.120 1.00 0.00 C ATOM 0 H THR A 96 5.854 6.099 8.670 1.00 0.00 H new ATOM 0 HA THR A 96 5.506 8.991 8.007 1.00 0.00 H new ATOM 0 HB THR A 96 7.052 7.725 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.296 8.591 11.600 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.174 10.053 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.943 9.908 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.320 10.622 9.726 1.00 0.00 H new ATOM 1366 N VAL A 97 7.756 9.323 7.092 1.00 0.00 N ATOM 1367 CA VAL A 97 9.054 9.523 6.386 1.00 0.00 C ATOM 1368 C VAL A 97 9.669 10.823 6.923 1.00 0.00 C ATOM 1369 O VAL A 97 8.987 11.819 7.073 1.00 0.00 O ATOM 1370 CB VAL A 97 8.834 9.621 4.869 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.960 10.418 4.243 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.883 8.232 4.242 1.00 0.00 C ATOM 0 H VAL A 97 7.122 10.120 7.032 1.00 0.00 H new ATOM 0 HA VAL A 97 9.720 8.679 6.565 1.00 0.00 H new ATOM 0 HB VAL A 97 7.867 10.093 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.803 10.487 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.979 11.420 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.910 9.922 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.726 8.313 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.856 7.780 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.102 7.609 4.677 1.00 0.00 H new ATOM 1382 N LYS A 98 10.933 10.820 7.244 1.00 0.00 N ATOM 1383 CA LYS A 98 11.544 12.062 7.808 1.00 0.00 C ATOM 1384 C LYS A 98 12.778 12.534 7.016 1.00 0.00 C ATOM 1385 O LYS A 98 12.767 13.626 6.483 1.00 0.00 O ATOM 1386 CB LYS A 98 11.943 11.812 9.263 1.00 0.00 C ATOM 1387 CG LYS A 98 10.936 12.494 10.190 1.00 0.00 C ATOM 1388 CD LYS A 98 11.534 12.615 11.593 1.00 0.00 C ATOM 1389 CE LYS A 98 10.647 11.871 12.592 1.00 0.00 C ATOM 1390 NZ LYS A 98 9.543 12.766 13.037 1.00 0.00 N ATOM 0 H LYS A 98 11.564 10.025 7.143 1.00 0.00 H new ATOM 0 HA LYS A 98 10.795 12.851 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.972 10.741 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.945 12.199 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.682 13.482 9.805 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.011 11.919 10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.542 12.201 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.617 13.665 11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.238 10.972 12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.237 11.550 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.939 12.261 13.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.943 13.612 13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.975 13.052 12.214 1.00 0.00 H new ATOM 1404 N PRO A 99 13.822 11.736 6.986 1.00 0.00 N ATOM 1405 CA PRO A 99 15.069 12.120 6.299 1.00 0.00 C ATOM 1406 C PRO A 99 14.938 12.025 4.776 1.00 0.00 C ATOM 1407 O PRO A 99 15.356 11.061 4.165 1.00 0.00 O ATOM 1408 CB PRO A 99 16.099 11.117 6.826 1.00 0.00 C ATOM 1409 CG PRO A 99 15.298 9.898 7.332 1.00 0.00 C ATOM 1410 CD PRO A 99 13.868 10.395 7.612 1.00 0.00 C ATOM 0 HA PRO A 99 15.343 13.157 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.795 10.825 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.691 11.554 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.292 9.102 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.749 9.486 8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.122 9.728 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.667 10.448 8.682 1.00 0.00 H new ATOM 1418 N ALA A 100 14.382 13.033 4.157 1.00 0.00 N ATOM 1419 CA ALA A 100 14.250 13.016 2.672 1.00 0.00 C ATOM 1420 C ALA A 100 15.332 13.922 2.068 1.00 0.00 C ATOM 1421 O ALA A 100 15.217 15.130 2.120 1.00 0.00 O ATOM 1422 CB ALA A 100 12.871 13.548 2.267 1.00 0.00 C ATOM 0 H ALA A 100 14.014 13.866 4.616 1.00 0.00 H new ATOM 0 HA ALA A 100 14.365 11.995 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.780 13.533 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.096 12.919 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.755 14.570 2.627 1.00 0.00 H new TER 1428 ALA A 100