USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.11 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.007 USER MOD Set 2.1: A 27 GLN : amide:sc= -1.84! K(o=-4.7!,f=-2.7) USER MOD Set 2.2: A 32 TYR OH : rot -30:sc= 0.419 USER MOD Set 2.3: A 103 ASN : amide:sc= -3.32! C(o=-4.7!,f=-4.3!) USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.0823 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.41! USER MOD Single : A 10 SER OG : rot 180:sc= -0.909! USER MOD Single : A 11 SER OG : rot -11:sc= 1.09 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 87:sc= -2.01! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.014 USER MOD Single : A 36 GLN : amide:sc= -24.5! C(o=-25!,f=-26!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.89! C(o=-4.9!,f=-22!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -19:sc= 0.659! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 111:sc= -3.5! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.3!) USER MOD Single : A 98 SER OG : rot -109:sc= -7.98! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.83! C(o=-4.8!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.120 14.565 -5.173 1.00 0.00 N ATOM 2 CA ALA A 1 1.322 14.496 -5.298 1.00 0.00 C ATOM 3 C ALA A 1 1.854 13.320 -4.492 1.00 0.00 C ATOM 4 O ALA A 1 1.216 12.880 -3.538 1.00 0.00 O ATOM 5 CB ALA A 1 1.936 15.806 -4.812 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.562 14.131 -6.009 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.419 14.054 -4.318 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.415 15.560 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 1 1.594 14.347 -6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.021 15.756 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.558 16.631 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.669 15.968 -3.768 1.00 0.00 H new ATOM 11 N ALA A 2 3.025 12.810 -4.879 1.00 0.00 N ATOM 12 CA ALA A 2 3.635 11.688 -4.194 1.00 0.00 C ATOM 13 C ALA A 2 4.969 12.112 -3.598 1.00 0.00 C ATOM 14 O ALA A 2 5.900 12.443 -4.329 1.00 0.00 O ATOM 15 CB ALA A 2 3.822 10.535 -5.175 1.00 0.00 C ATOM 0 H ALA A 2 3.566 13.164 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 2 2.987 11.355 -3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.281 9.691 -4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.853 10.235 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.467 10.855 -5.994 1.00 0.00 H new ATOM 21 N PRO A 3 5.061 12.101 -2.266 1.00 0.00 N ATOM 22 CA PRO A 3 6.249 12.470 -1.527 1.00 0.00 C ATOM 23 C PRO A 3 7.303 11.383 -1.679 1.00 0.00 C ATOM 24 O PRO A 3 7.086 10.399 -2.382 1.00 0.00 O ATOM 25 CB PRO A 3 5.787 12.585 -0.076 1.00 0.00 C ATOM 26 CG PRO A 3 4.641 11.577 -0.005 1.00 0.00 C ATOM 27 CD PRO A 3 3.986 11.716 -1.377 1.00 0.00 C ATOM 0 HA PRO A 3 6.697 13.399 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.586 12.339 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.453 13.595 0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.003 10.564 0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.946 11.811 0.801 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.529 10.778 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.196 12.467 -1.363 1.00 0.00 H new ATOM 35 N THR A 4 8.449 11.563 -1.019 1.00 0.00 N ATOM 36 CA THR A 4 9.527 10.597 -1.087 1.00 0.00 C ATOM 37 C THR A 4 9.532 9.735 0.167 1.00 0.00 C ATOM 38 O THR A 4 9.846 10.216 1.253 1.00 0.00 O ATOM 39 CB THR A 4 10.856 11.330 -1.245 1.00 0.00 C ATOM 40 OG1 THR A 4 11.086 11.598 -2.610 1.00 0.00 O ATOM 41 CG2 THR A 4 11.985 10.459 -0.700 1.00 0.00 C ATOM 0 H THR A 4 8.647 12.374 -0.432 1.00 0.00 H new ATOM 0 HA THR A 4 9.381 9.945 -1.948 1.00 0.00 H new ATOM 0 HB THR A 4 10.821 12.268 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.939 12.070 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.935 10.982 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.808 10.252 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.020 9.520 -1.253 1.00 0.00 H new ATOM 49 N ALA A 5 9.183 8.455 0.014 1.00 0.00 N ATOM 50 CA ALA A 5 9.147 7.534 1.131 1.00 0.00 C ATOM 51 C ALA A 5 10.003 6.314 0.821 1.00 0.00 C ATOM 52 O ALA A 5 10.029 5.844 -0.315 1.00 0.00 O ATOM 53 CB ALA A 5 7.703 7.125 1.407 1.00 0.00 C ATOM 0 H ALA A 5 8.922 8.040 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 5 9.549 8.019 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.676 6.432 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.114 8.010 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.287 6.641 0.524 1.00 0.00 H new ATOM 59 N THR A 6 10.707 5.802 1.833 1.00 0.00 N ATOM 60 CA THR A 6 11.557 4.641 1.659 1.00 0.00 C ATOM 61 C THR A 6 10.907 3.422 2.296 1.00 0.00 C ATOM 62 O THR A 6 10.716 3.379 3.510 1.00 0.00 O ATOM 63 CB THR A 6 12.922 4.915 2.283 1.00 0.00 C ATOM 64 OG1 THR A 6 12.764 5.734 3.420 1.00 0.00 O ATOM 65 CG2 THR A 6 13.815 5.622 1.267 1.00 0.00 C ATOM 0 H THR A 6 10.699 6.180 2.780 1.00 0.00 H new ATOM 0 HA THR A 6 11.691 4.440 0.596 1.00 0.00 H new ATOM 0 HB THR A 6 13.382 3.971 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.641 5.909 3.822 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.790 5.817 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 6 13.939 4.989 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.355 6.565 0.973 1.00 0.00 H new ATOM 73 N VAL A 7 10.568 2.427 1.473 1.00 0.00 N ATOM 74 CA VAL A 7 9.943 1.213 1.957 1.00 0.00 C ATOM 75 C VAL A 7 10.876 0.031 1.737 1.00 0.00 C ATOM 76 O VAL A 7 11.663 0.025 0.793 1.00 0.00 O ATOM 77 CB VAL A 7 8.618 0.999 1.230 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.081 2.342 0.746 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.838 0.078 0.033 1.00 0.00 C ATOM 0 H VAL A 7 10.721 2.447 0.465 1.00 0.00 H new ATOM 0 HA VAL A 7 9.746 1.301 3.025 1.00 0.00 H new ATOM 0 HB VAL A 7 7.899 0.544 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.135 2.190 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.924 3.000 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.800 2.797 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.892 -0.075 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.557 0.533 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.222 -0.882 0.378 1.00 0.00 H new ATOM 89 N THR A 8 10.787 -0.974 2.612 1.00 0.00 N ATOM 90 CA THR A 8 11.622 -2.153 2.505 1.00 0.00 C ATOM 91 C THR A 8 11.216 -2.968 1.286 1.00 0.00 C ATOM 92 O THR A 8 10.147 -2.752 0.719 1.00 0.00 O ATOM 93 CB THR A 8 11.493 -2.984 3.778 1.00 0.00 C ATOM 94 OG1 THR A 8 12.774 -3.392 4.205 1.00 0.00 O ATOM 95 CG2 THR A 8 10.635 -4.214 3.498 1.00 0.00 C ATOM 0 H THR A 8 10.141 -0.986 3.401 1.00 0.00 H new ATOM 0 HA THR A 8 12.663 -1.854 2.385 1.00 0.00 H new ATOM 0 HB THR A 8 11.024 -2.384 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.692 -3.924 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.543 -4.808 4.407 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.645 -3.900 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.104 -4.815 2.718 1.00 0.00 H new ATOM 103 N PRO A 9 12.073 -3.909 0.883 1.00 0.00 N ATOM 104 CA PRO A 9 11.855 -4.779 -0.252 1.00 0.00 C ATOM 105 C PRO A 9 10.782 -5.803 0.089 1.00 0.00 C ATOM 106 O PRO A 9 10.943 -6.587 1.022 1.00 0.00 O ATOM 107 CB PRO A 9 13.203 -5.457 -0.491 1.00 0.00 C ATOM 108 CG PRO A 9 13.809 -5.505 0.911 1.00 0.00 C ATOM 109 CD PRO A 9 13.339 -4.189 1.526 1.00 0.00 C ATOM 0 HA PRO A 9 11.514 -4.243 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.085 -6.454 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.825 -4.888 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.453 -6.366 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.897 -5.572 0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.223 -4.277 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.058 -3.390 1.347 1.00 0.00 H new ATOM 117 N SER A 10 9.684 -5.795 -0.670 1.00 0.00 N ATOM 118 CA SER A 10 8.592 -6.721 -0.444 1.00 0.00 C ATOM 119 C SER A 10 8.310 -7.508 -1.716 1.00 0.00 C ATOM 120 O SER A 10 7.256 -8.126 -1.845 1.00 0.00 O ATOM 121 CB SER A 10 7.354 -5.948 -0.001 1.00 0.00 C ATOM 122 OG SER A 10 6.200 -6.574 -0.514 1.00 0.00 O ATOM 0 H SER A 10 9.535 -5.152 -1.447 1.00 0.00 H new ATOM 0 HA SER A 10 8.865 -7.425 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.306 -5.910 1.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.410 -4.918 -0.354 1.00 0.00 H new ATOM 0 HG SER A 10 5.404 -6.078 -0.228 1.00 0.00 H new ATOM 128 N SER A 11 9.258 -7.485 -2.656 1.00 0.00 N ATOM 129 CA SER A 11 9.107 -8.197 -3.909 1.00 0.00 C ATOM 130 C SER A 11 9.979 -9.445 -3.903 1.00 0.00 C ATOM 131 O SER A 11 11.204 -9.349 -3.886 1.00 0.00 O ATOM 132 CB SER A 11 9.489 -7.276 -5.065 1.00 0.00 C ATOM 133 OG SER A 11 10.892 -7.244 -5.196 1.00 0.00 O ATOM 0 H SER A 11 10.138 -6.977 -2.564 1.00 0.00 H new ATOM 0 HA SER A 11 8.069 -8.505 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.035 -7.629 -5.991 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.107 -6.271 -4.885 1.00 0.00 H new ATOM 0 HG SER A 11 11.303 -7.679 -4.420 1.00 0.00 H new ATOM 139 N GLY A 12 9.344 -10.619 -3.918 1.00 0.00 N ATOM 140 CA GLY A 12 10.067 -11.875 -3.915 1.00 0.00 C ATOM 141 C GLY A 12 9.973 -12.534 -2.546 1.00 0.00 C ATOM 142 O GLY A 12 10.622 -13.547 -2.296 1.00 0.00 O ATOM 0 H GLY A 12 8.329 -10.717 -3.932 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.658 -12.540 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.112 -11.702 -4.172 1.00 0.00 H new ATOM 146 N LEU A 13 9.162 -11.955 -1.658 1.00 0.00 N ATOM 147 CA LEU A 13 8.987 -12.487 -0.321 1.00 0.00 C ATOM 148 C LEU A 13 7.556 -12.974 -0.142 1.00 0.00 C ATOM 149 O LEU A 13 6.613 -12.303 -0.555 1.00 0.00 O ATOM 150 CB LEU A 13 9.322 -11.406 0.703 1.00 0.00 C ATOM 151 CG LEU A 13 8.954 -10.038 0.138 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.502 -9.719 0.481 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.866 -8.975 0.745 1.00 0.00 C ATOM 0 H LEU A 13 8.617 -11.114 -1.850 1.00 0.00 H new ATOM 0 HA LEU A 13 9.658 -13.332 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.777 -11.587 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.384 -11.437 0.946 1.00 0.00 H new ATOM 0 HG LEU A 13 9.077 -10.047 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.239 -8.741 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.851 -10.478 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.378 -9.710 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.604 -7.997 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.743 -8.966 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.903 -9.202 0.499 1.00 0.00 H new ATOM 165 N SER A 14 7.396 -14.146 0.477 1.00 0.00 N ATOM 166 CA SER A 14 6.083 -14.714 0.708 1.00 0.00 C ATOM 167 C SER A 14 5.452 -14.075 1.937 1.00 0.00 C ATOM 168 O SER A 14 6.112 -13.332 2.661 1.00 0.00 O ATOM 169 CB SER A 14 6.208 -16.224 0.888 1.00 0.00 C ATOM 170 OG SER A 14 6.135 -16.855 -0.371 1.00 0.00 O ATOM 0 H SER A 14 8.168 -14.715 0.825 1.00 0.00 H new ATOM 0 HA SER A 14 5.441 -14.515 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.153 -16.466 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.413 -16.591 1.537 1.00 0.00 H new ATOM 0 HG SER A 14 6.217 -17.825 -0.256 1.00 0.00 H new ATOM 176 N ASP A 15 4.170 -14.365 2.171 1.00 0.00 N ATOM 177 CA ASP A 15 3.458 -13.818 3.309 1.00 0.00 C ATOM 178 C ASP A 15 4.321 -13.929 4.558 1.00 0.00 C ATOM 179 O ASP A 15 5.187 -14.797 4.640 1.00 0.00 O ATOM 180 CB ASP A 15 2.142 -14.568 3.492 1.00 0.00 C ATOM 181 CG ASP A 15 2.366 -15.895 4.204 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.328 -16.592 3.816 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.572 -16.186 5.124 1.00 0.00 O ATOM 0 H ASP A 15 3.609 -14.979 1.580 1.00 0.00 H new ATOM 0 HA ASP A 15 3.239 -12.764 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.447 -13.956 4.066 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.682 -14.746 2.520 1.00 0.00 H new ATOM 188 N GLY A 16 4.083 -13.048 5.532 1.00 0.00 N ATOM 189 CA GLY A 16 4.841 -13.056 6.767 1.00 0.00 C ATOM 190 C GLY A 16 5.923 -11.986 6.728 1.00 0.00 C ATOM 191 O GLY A 16 6.378 -11.522 7.771 1.00 0.00 O ATOM 0 H GLY A 16 3.368 -12.322 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.175 -12.879 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.294 -14.036 6.918 1.00 0.00 H new ATOM 195 N THR A 17 6.337 -11.596 5.520 1.00 0.00 N ATOM 196 CA THR A 17 7.362 -10.585 5.356 1.00 0.00 C ATOM 197 C THR A 17 6.832 -9.232 5.806 1.00 0.00 C ATOM 198 O THR A 17 5.736 -8.831 5.419 1.00 0.00 O ATOM 199 CB THR A 17 7.798 -10.537 3.895 1.00 0.00 C ATOM 200 OG1 THR A 17 8.312 -11.794 3.516 1.00 0.00 O ATOM 201 CG2 THR A 17 8.877 -9.472 3.721 1.00 0.00 C ATOM 0 H THR A 17 5.972 -11.971 4.645 1.00 0.00 H new ATOM 0 HA THR A 17 8.226 -10.835 5.972 1.00 0.00 H new ATOM 0 HB THR A 17 6.941 -10.291 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.579 -12.369 3.211 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.189 -9.437 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.479 -8.500 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.734 -9.717 4.348 1.00 0.00 H new ATOM 209 N VAL A 18 7.614 -8.526 6.626 1.00 0.00 N ATOM 210 CA VAL A 18 7.222 -7.223 7.124 1.00 0.00 C ATOM 211 C VAL A 18 7.952 -6.135 6.348 1.00 0.00 C ATOM 212 O VAL A 18 9.179 -6.079 6.361 1.00 0.00 O ATOM 213 CB VAL A 18 7.540 -7.132 8.613 1.00 0.00 C ATOM 214 CG1 VAL A 18 9.053 -7.141 8.812 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.961 -5.838 9.178 1.00 0.00 C ATOM 0 H VAL A 18 8.525 -8.844 6.955 1.00 0.00 H new ATOM 0 HA VAL A 18 6.150 -7.083 6.986 1.00 0.00 H new ATOM 0 HB VAL A 18 7.100 -7.984 9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.280 -7.076 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.468 -8.065 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.493 -6.289 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.188 -5.772 10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.401 -4.986 8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.880 -5.831 9.036 1.00 0.00 H new ATOM 225 N VAL A 19 7.192 -5.269 5.673 1.00 0.00 N ATOM 226 CA VAL A 19 7.768 -4.189 4.897 1.00 0.00 C ATOM 227 C VAL A 19 7.714 -2.896 5.697 1.00 0.00 C ATOM 228 O VAL A 19 6.948 -2.785 6.652 1.00 0.00 O ATOM 229 CB VAL A 19 7.006 -4.045 3.583 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.160 -5.293 3.346 1.00 0.00 C ATOM 231 CG2 VAL A 19 6.097 -2.821 3.655 1.00 0.00 C ATOM 0 H VAL A 19 6.173 -5.303 5.654 1.00 0.00 H new ATOM 0 HA VAL A 19 8.811 -4.412 4.673 1.00 0.00 H new ATOM 0 HB VAL A 19 7.714 -3.925 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.615 -5.191 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.808 -6.168 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.451 -5.413 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.552 -2.717 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.389 -2.942 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.700 -1.929 3.825 1.00 0.00 H new ATOM 241 N LYS A 20 8.531 -1.915 5.306 1.00 0.00 N ATOM 242 CA LYS A 20 8.571 -0.637 5.988 1.00 0.00 C ATOM 243 C LYS A 20 8.201 0.478 5.020 1.00 0.00 C ATOM 244 O LYS A 20 8.473 0.382 3.825 1.00 0.00 O ATOM 245 CB LYS A 20 9.966 -0.412 6.563 1.00 0.00 C ATOM 246 CG LYS A 20 9.848 0.181 7.965 1.00 0.00 C ATOM 247 CD LYS A 20 10.109 1.684 7.906 1.00 0.00 C ATOM 248 CE LYS A 20 11.300 2.029 8.795 1.00 0.00 C ATOM 249 NZ LYS A 20 12.479 2.373 7.987 1.00 0.00 N ATOM 0 H LYS A 20 9.173 -1.990 4.517 1.00 0.00 H new ATOM 0 HA LYS A 20 7.850 -0.635 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.512 -1.354 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.533 0.260 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.854 -0.011 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.563 -0.297 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.308 1.989 6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.225 2.231 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.043 2.866 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.532 1.183 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.275 2.604 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.736 1.564 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.262 3.195 7.388 1.00 0.00 H new ATOM 263 N VAL A 21 7.578 1.539 5.539 1.00 0.00 N ATOM 264 CA VAL A 21 7.174 2.665 4.722 1.00 0.00 C ATOM 265 C VAL A 21 7.529 3.966 5.427 1.00 0.00 C ATOM 266 O VAL A 21 6.887 4.339 6.407 1.00 0.00 O ATOM 267 CB VAL A 21 5.674 2.586 4.455 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.378 3.115 3.054 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.215 1.134 4.558 1.00 0.00 C ATOM 0 H VAL A 21 7.345 1.633 6.528 1.00 0.00 H new ATOM 0 HA VAL A 21 7.701 2.636 3.768 1.00 0.00 H new ATOM 0 HB VAL A 21 5.142 3.189 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.306 3.059 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.706 4.152 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.910 2.513 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.143 1.077 4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.747 0.531 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.426 0.756 5.558 1.00 0.00 H new ATOM 279 N ALA A 22 8.555 4.658 4.926 1.00 0.00 N ATOM 280 CA ALA A 22 8.990 5.911 5.510 1.00 0.00 C ATOM 281 C ALA A 22 8.815 7.037 4.501 1.00 0.00 C ATOM 282 O ALA A 22 9.451 7.036 3.450 1.00 0.00 O ATOM 283 CB ALA A 22 10.449 5.792 5.939 1.00 0.00 C ATOM 0 H ALA A 22 9.097 4.363 4.114 1.00 0.00 H new ATOM 0 HA ALA A 22 8.385 6.138 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.777 6.734 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.548 4.994 6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.066 5.562 5.070 1.00 0.00 H new ATOM 289 N GLY A 23 7.948 8.001 4.822 1.00 0.00 N ATOM 290 CA GLY A 23 7.698 9.124 3.940 1.00 0.00 C ATOM 291 C GLY A 23 8.753 10.202 4.146 1.00 0.00 C ATOM 292 O GLY A 23 9.244 10.390 5.257 1.00 0.00 O ATOM 0 H GLY A 23 7.411 8.018 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.708 8.790 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.707 9.534 4.134 1.00 0.00 H new ATOM 296 N ALA A 24 9.102 10.910 3.070 1.00 0.00 N ATOM 297 CA ALA A 24 10.096 11.963 3.136 1.00 0.00 C ATOM 298 C ALA A 24 9.745 13.066 2.148 1.00 0.00 C ATOM 299 O ALA A 24 9.841 12.872 0.938 1.00 0.00 O ATOM 300 CB ALA A 24 11.473 11.380 2.830 1.00 0.00 C ATOM 0 H ALA A 24 8.704 10.766 2.142 1.00 0.00 H new ATOM 0 HA ALA A 24 10.112 12.392 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.222 12.170 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.712 10.608 3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.470 10.945 1.831 1.00 0.00 H new ATOM 306 N GLY A 25 9.337 14.227 2.666 1.00 0.00 N ATOM 307 CA GLY A 25 8.975 15.350 1.824 1.00 0.00 C ATOM 308 C GLY A 25 7.462 15.433 1.677 1.00 0.00 C ATOM 309 O GLY A 25 6.959 16.118 0.789 1.00 0.00 O ATOM 0 H GLY A 25 9.252 14.406 3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.357 16.275 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.437 15.242 0.843 1.00 0.00 H new ATOM 313 N LEU A 26 6.737 14.731 2.551 1.00 0.00 N ATOM 314 CA LEU A 26 5.288 14.728 2.515 1.00 0.00 C ATOM 315 C LEU A 26 4.747 15.850 3.390 1.00 0.00 C ATOM 316 O LEU A 26 5.504 16.501 4.107 1.00 0.00 O ATOM 317 CB LEU A 26 4.771 13.374 2.992 1.00 0.00 C ATOM 318 CG LEU A 26 5.939 12.401 3.121 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.625 12.606 4.469 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.420 10.969 3.027 1.00 0.00 C ATOM 0 H LEU A 26 7.140 14.158 3.292 1.00 0.00 H new ATOM 0 HA LEU A 26 4.946 14.894 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.267 13.483 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.036 12.985 2.288 1.00 0.00 H new ATOM 0 HG LEU A 26 6.654 12.582 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.460 11.911 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.995 13.629 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.911 12.425 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.254 10.273 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.706 10.788 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.929 10.822 2.065 1.00 0.00 H new ATOM 332 N GLN A 27 3.433 16.075 3.330 1.00 0.00 N ATOM 333 CA GLN A 27 2.799 17.116 4.115 1.00 0.00 C ATOM 334 C GLN A 27 3.145 16.936 5.586 1.00 0.00 C ATOM 335 O GLN A 27 2.841 15.900 6.175 1.00 0.00 O ATOM 336 CB GLN A 27 1.289 17.061 3.904 1.00 0.00 C ATOM 337 CG GLN A 27 0.951 17.572 2.506 1.00 0.00 C ATOM 338 CD GLN A 27 -0.476 17.206 2.124 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.295 18.084 1.863 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.772 15.905 2.093 1.00 0.00 N ATOM 0 H GLN A 27 2.792 15.544 2.741 1.00 0.00 H new ATOM 0 HA GLN A 27 3.163 18.092 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.931 16.039 4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.784 17.667 4.656 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.075 18.654 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.646 17.147 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.057 15.214 2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.714 15.602 1.844 1.00 0.00 H new ATOM 349 N ALA A 28 3.781 17.948 6.180 1.00 0.00 N ATOM 350 CA ALA A 28 4.165 17.897 7.576 1.00 0.00 C ATOM 351 C ALA A 28 2.931 18.049 8.455 1.00 0.00 C ATOM 352 O ALA A 28 2.125 18.952 8.246 1.00 0.00 O ATOM 353 CB ALA A 28 5.175 19.003 7.866 1.00 0.00 C ATOM 0 H ALA A 28 4.038 18.813 5.705 1.00 0.00 H new ATOM 0 HA ALA A 28 4.628 16.935 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.464 18.965 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.057 18.863 7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.726 19.972 7.648 1.00 0.00 H new ATOM 359 N GLY A 29 2.785 17.161 9.442 1.00 0.00 N ATOM 360 CA GLY A 29 1.651 17.205 10.343 1.00 0.00 C ATOM 361 C GLY A 29 0.408 16.658 9.654 1.00 0.00 C ATOM 362 O GLY A 29 -0.689 16.725 10.202 1.00 0.00 O ATOM 0 H GLY A 29 3.444 16.405 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.866 16.621 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.474 18.231 10.667 1.00 0.00 H new ATOM 366 N THR A 30 0.583 16.116 8.446 1.00 0.00 N ATOM 367 CA THR A 30 -0.524 15.562 7.693 1.00 0.00 C ATOM 368 C THR A 30 -0.647 14.071 7.972 1.00 0.00 C ATOM 369 O THR A 30 0.358 13.384 8.145 1.00 0.00 O ATOM 370 CB THR A 30 -0.303 15.817 6.205 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.290 16.705 5.729 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.397 14.498 5.443 1.00 0.00 C ATOM 0 H THR A 30 1.486 16.053 7.975 1.00 0.00 H new ATOM 0 HA THR A 30 -1.453 16.044 7.998 1.00 0.00 H new ATOM 0 HB THR A 30 0.684 16.255 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.248 16.747 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.239 14.680 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.365 13.810 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.384 14.060 5.594 1.00 0.00 H new ATOM 380 N ALA A 31 -1.884 13.571 8.015 1.00 0.00 N ATOM 381 CA ALA A 31 -2.133 12.167 8.273 1.00 0.00 C ATOM 382 C ALA A 31 -2.066 11.384 6.970 1.00 0.00 C ATOM 383 O ALA A 31 -2.351 11.925 5.904 1.00 0.00 O ATOM 384 CB ALA A 31 -3.500 12.007 8.932 1.00 0.00 C ATOM 0 H ALA A 31 -2.727 14.128 7.873 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.372 11.776 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.689 10.951 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.517 12.558 9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.272 12.397 8.268 1.00 0.00 H new ATOM 390 N TYR A 32 -1.688 10.107 7.057 1.00 0.00 N ATOM 391 CA TYR A 32 -1.585 9.260 5.886 1.00 0.00 C ATOM 392 C TYR A 32 -2.140 7.878 6.198 1.00 0.00 C ATOM 393 O TYR A 32 -1.986 7.381 7.311 1.00 0.00 O ATOM 394 CB TYR A 32 -0.125 9.171 5.452 1.00 0.00 C ATOM 395 CG TYR A 32 0.370 10.409 4.744 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.318 10.899 3.627 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.517 11.068 5.204 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.141 12.048 2.971 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.975 12.216 4.547 1.00 0.00 C ATOM 400 CZ TYR A 32 1.287 12.706 3.431 1.00 0.00 C ATOM 401 OH TYR A 32 1.734 13.825 2.791 1.00 0.00 O ATOM 0 H TYR A 32 -1.449 9.643 7.934 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.168 9.688 5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.496 8.991 6.329 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.002 8.312 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.202 10.391 3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.048 10.691 6.065 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.390 12.426 2.110 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.860 12.724 4.901 1.00 0.00 H new ATOM 0 HH TYR A 32 1.498 13.775 1.841 1.00 0.00 H new ATOM 411 N ASP A 33 -2.788 7.256 5.210 1.00 0.00 N ATOM 412 CA ASP A 33 -3.363 5.937 5.384 1.00 0.00 C ATOM 413 C ASP A 33 -2.609 4.930 4.527 1.00 0.00 C ATOM 414 O ASP A 33 -2.665 4.992 3.301 1.00 0.00 O ATOM 415 CB ASP A 33 -4.840 5.973 5.004 1.00 0.00 C ATOM 416 CG ASP A 33 -5.330 4.591 4.595 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.470 3.746 5.506 1.00 0.00 O ATOM 418 OD2 ASP A 33 -5.555 4.405 3.380 1.00 0.00 O ATOM 0 H ASP A 33 -2.923 7.654 4.281 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.278 5.633 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.428 6.337 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.991 6.674 4.184 1.00 0.00 H new ATOM 423 N VAL A 34 -1.903 4.001 5.176 1.00 0.00 N ATOM 424 CA VAL A 34 -1.143 2.988 4.472 1.00 0.00 C ATOM 425 C VAL A 34 -1.936 1.690 4.425 1.00 0.00 C ATOM 426 O VAL A 34 -2.749 1.425 5.308 1.00 0.00 O ATOM 427 CB VAL A 34 0.196 2.779 5.172 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.280 2.518 4.131 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.551 4.029 5.973 1.00 0.00 C ATOM 0 H VAL A 34 -1.848 3.937 6.192 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.955 3.314 3.449 1.00 0.00 H new ATOM 0 HB VAL A 34 0.125 1.924 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.237 2.369 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.027 1.626 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.352 3.373 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.508 3.881 6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.622 4.884 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.223 4.216 6.717 1.00 0.00 H new ATOM 439 N GLY A 35 -1.698 0.878 3.392 1.00 0.00 N ATOM 440 CA GLY A 35 -2.392 -0.385 3.241 1.00 0.00 C ATOM 441 C GLY A 35 -1.898 -1.113 1.999 1.00 0.00 C ATOM 442 O GLY A 35 -1.329 -0.498 1.100 1.00 0.00 O ATOM 0 H GLY A 35 -1.027 1.081 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.230 -1.005 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.466 -0.211 3.166 1.00 0.00 H new ATOM 446 N GLN A 36 -2.118 -2.429 1.950 1.00 0.00 N ATOM 447 CA GLN A 36 -1.694 -3.233 0.821 1.00 0.00 C ATOM 448 C GLN A 36 -2.870 -3.466 -0.118 1.00 0.00 C ATOM 449 O GLN A 36 -3.869 -4.065 0.273 1.00 0.00 O ATOM 450 CB GLN A 36 -1.134 -4.560 1.326 1.00 0.00 C ATOM 451 CG GLN A 36 -1.273 -5.619 0.236 1.00 0.00 C ATOM 452 CD GLN A 36 -0.910 -6.997 0.769 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.687 -7.605 1.503 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.274 -7.490 0.399 1.00 0.00 N ATOM 0 H GLN A 36 -2.590 -2.954 2.686 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.913 -2.710 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.086 -4.443 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.667 -4.874 2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.296 -5.628 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.627 -5.368 -0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.884 -6.947 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.569 -8.410 0.727 1.00 0.00 H new ATOM 463 N CYS A 37 -2.747 -2.991 -1.359 1.00 0.00 N ATOM 464 CA CYS A 37 -3.796 -3.149 -2.346 1.00 0.00 C ATOM 465 C CYS A 37 -3.367 -4.165 -3.395 1.00 0.00 C ATOM 466 O CYS A 37 -2.191 -4.514 -3.479 1.00 0.00 O ATOM 467 CB CYS A 37 -4.094 -1.799 -2.991 1.00 0.00 C ATOM 468 SG CYS A 37 -5.373 -0.842 -2.139 1.00 0.00 S ATOM 0 H CYS A 37 -1.924 -2.493 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.703 -3.514 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.176 -1.212 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.404 -1.962 -4.023 1.00 0.00 H new ATOM 473 N ALA A 38 -4.324 -4.640 -4.195 1.00 0.00 N ATOM 474 CA ALA A 38 -4.041 -5.613 -5.232 1.00 0.00 C ATOM 475 C ALA A 38 -5.040 -5.458 -6.370 1.00 0.00 C ATOM 476 O ALA A 38 -6.246 -5.549 -6.156 1.00 0.00 O ATOM 477 CB ALA A 38 -4.108 -7.018 -4.641 1.00 0.00 C ATOM 0 H ALA A 38 -5.303 -4.360 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.039 -5.447 -5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.895 -7.751 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.372 -7.113 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.105 -7.196 -4.238 1.00 0.00 H new ATOM 483 N TRP A 39 -4.534 -5.223 -7.583 1.00 0.00 N ATOM 484 CA TRP A 39 -5.386 -5.059 -8.744 1.00 0.00 C ATOM 485 C TRP A 39 -6.108 -6.365 -9.045 1.00 0.00 C ATOM 486 O TRP A 39 -5.471 -7.393 -9.262 1.00 0.00 O ATOM 487 CB TRP A 39 -4.541 -4.621 -9.936 1.00 0.00 C ATOM 488 CG TRP A 39 -4.950 -5.208 -11.248 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.219 -5.491 -11.615 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.113 -5.595 -12.380 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.225 -6.022 -12.888 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.949 -6.109 -13.408 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.732 -5.564 -12.644 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.446 -6.567 -14.628 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.216 -6.022 -13.866 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.068 -6.522 -14.857 1.00 0.00 C ATOM 0 H TRP A 39 -3.536 -5.143 -7.778 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.134 -4.292 -8.544 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.582 -3.534 -10.012 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.502 -4.888 -9.743 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.095 -5.327 -11.005 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.067 -6.314 -13.384 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.057 -5.181 -11.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.114 -6.951 -15.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.151 -5.988 -14.043 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.662 -6.872 -15.795 1.00 0.00 H new ATOM 507 N VAL A 40 -7.442 -6.321 -9.058 1.00 0.00 N ATOM 508 CA VAL A 40 -8.244 -7.496 -9.332 1.00 0.00 C ATOM 509 C VAL A 40 -8.740 -7.457 -10.771 1.00 0.00 C ATOM 510 O VAL A 40 -8.688 -8.463 -11.474 1.00 0.00 O ATOM 511 CB VAL A 40 -9.416 -7.550 -8.357 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.897 -7.844 -6.953 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.142 -6.208 -8.360 1.00 0.00 C ATOM 0 H VAL A 40 -7.984 -5.475 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.639 -8.393 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.106 -8.337 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.734 -7.883 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.378 -8.803 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.207 -7.057 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.980 -6.246 -7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.452 -5.421 -8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.513 -5.997 -9.363 1.00 0.00 H new ATOM 523 N ASP A 41 -9.221 -6.291 -11.207 1.00 0.00 N ATOM 524 CA ASP A 41 -9.723 -6.128 -12.556 1.00 0.00 C ATOM 525 C ASP A 41 -9.200 -4.826 -13.147 1.00 0.00 C ATOM 526 O ASP A 41 -8.651 -3.994 -12.428 1.00 0.00 O ATOM 527 CB ASP A 41 -11.249 -6.137 -12.535 1.00 0.00 C ATOM 528 CG ASP A 41 -11.799 -7.226 -13.445 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.296 -7.320 -14.585 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.712 -7.944 -12.983 1.00 0.00 O ATOM 0 H ASP A 41 -9.270 -5.447 -10.636 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.376 -6.952 -13.179 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.602 -6.297 -11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.627 -5.166 -12.854 1.00 0.00 H new ATOM 535 N THR A 42 -9.370 -4.651 -14.459 1.00 0.00 N ATOM 536 CA THR A 42 -8.914 -3.452 -15.133 1.00 0.00 C ATOM 537 C THR A 42 -9.486 -2.221 -14.445 1.00 0.00 C ATOM 538 O THR A 42 -10.694 -1.993 -14.477 1.00 0.00 O ATOM 539 CB THR A 42 -9.340 -3.500 -16.597 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.550 -2.604 -17.346 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.809 -3.102 -16.714 1.00 0.00 C ATOM 0 H THR A 42 -9.822 -5.331 -15.070 1.00 0.00 H new ATOM 0 HA THR A 42 -7.826 -3.396 -15.085 1.00 0.00 H new ATOM 0 HB THR A 42 -9.206 -4.511 -16.981 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.822 -2.636 -18.287 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.113 -3.136 -17.760 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.421 -3.794 -16.135 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.944 -2.091 -16.330 1.00 0.00 H new ATOM 549 N GLY A 43 -8.615 -1.425 -13.820 1.00 0.00 N ATOM 550 CA GLY A 43 -9.041 -0.224 -13.130 1.00 0.00 C ATOM 551 C GLY A 43 -9.809 -0.586 -11.867 1.00 0.00 C ATOM 552 O GLY A 43 -10.392 0.282 -11.221 1.00 0.00 O ATOM 0 H GLY A 43 -7.611 -1.598 -13.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.173 0.384 -12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.670 0.377 -13.787 1.00 0.00 H new ATOM 556 N VAL A 44 -9.809 -1.874 -11.516 1.00 0.00 N ATOM 557 CA VAL A 44 -10.504 -2.345 -10.334 1.00 0.00 C ATOM 558 C VAL A 44 -9.516 -3.016 -9.390 1.00 0.00 C ATOM 559 O VAL A 44 -9.024 -4.105 -9.675 1.00 0.00 O ATOM 560 CB VAL A 44 -11.605 -3.318 -10.747 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.350 -3.799 -9.505 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.581 -2.613 -11.684 1.00 0.00 C ATOM 0 H VAL A 44 -9.331 -2.606 -12.041 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.959 -1.503 -9.813 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.162 -4.172 -11.259 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.137 -4.494 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.653 -4.302 -8.835 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.793 -2.945 -8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.368 -3.307 -11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.024 -1.759 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.049 -2.268 -12.571 1.00 0.00 H new ATOM 572 N LEU A 45 -9.228 -2.362 -8.262 1.00 0.00 N ATOM 573 CA LEU A 45 -8.303 -2.897 -7.283 1.00 0.00 C ATOM 574 C LEU A 45 -9.015 -3.089 -5.951 1.00 0.00 C ATOM 575 O LEU A 45 -10.079 -2.517 -5.726 1.00 0.00 O ATOM 576 CB LEU A 45 -7.118 -1.948 -7.131 1.00 0.00 C ATOM 577 CG LEU A 45 -7.501 -0.803 -6.197 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.171 -1.188 -4.758 1.00 0.00 C ATOM 579 CD2 LEU A 45 -6.718 0.450 -6.582 1.00 0.00 C ATOM 0 H LEU A 45 -9.628 -1.458 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.934 -3.866 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.257 -2.485 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.826 -1.555 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.569 -0.605 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.444 -0.371 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.730 -2.083 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.103 -1.386 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.991 1.268 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.650 0.252 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.954 0.725 -7.610 1.00 0.00 H new ATOM 591 N ALA A 46 -8.423 -3.895 -5.067 1.00 0.00 N ATOM 592 CA ALA A 46 -9.002 -4.159 -3.765 1.00 0.00 C ATOM 593 C ALA A 46 -7.957 -3.932 -2.681 1.00 0.00 C ATOM 594 O ALA A 46 -6.763 -4.086 -2.926 1.00 0.00 O ATOM 595 CB ALA A 46 -9.524 -5.592 -3.722 1.00 0.00 C ATOM 0 H ALA A 46 -7.539 -4.374 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.835 -3.478 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.960 -5.791 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.284 -5.725 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.701 -6.284 -3.901 1.00 0.00 H new ATOM 601 N CYS A 47 -8.410 -3.565 -1.480 1.00 0.00 N ATOM 602 CA CYS A 47 -7.516 -3.319 -0.367 1.00 0.00 C ATOM 603 C CYS A 47 -7.802 -4.310 0.752 1.00 0.00 C ATOM 604 O CYS A 47 -8.897 -4.864 0.828 1.00 0.00 O ATOM 605 CB CYS A 47 -7.695 -1.885 0.121 1.00 0.00 C ATOM 606 SG CYS A 47 -6.309 -0.792 -0.280 1.00 0.00 S ATOM 0 H CYS A 47 -9.398 -3.433 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.483 -3.452 -0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.606 -1.475 -0.315 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.836 -1.895 1.202 1.00 0.00 H new ATOM 611 N ASN A 48 -6.814 -4.534 1.621 1.00 0.00 N ATOM 612 CA ASN A 48 -6.967 -5.456 2.729 1.00 0.00 C ATOM 613 C ASN A 48 -6.861 -4.704 4.048 1.00 0.00 C ATOM 614 O ASN A 48 -5.797 -4.192 4.391 1.00 0.00 O ATOM 615 CB ASN A 48 -5.897 -6.540 2.638 1.00 0.00 C ATOM 616 CG ASN A 48 -5.863 -7.377 3.908 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.823 -7.385 4.675 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.752 -8.085 4.129 1.00 0.00 N ATOM 0 H ASN A 48 -5.900 -4.084 1.571 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.949 -5.926 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.096 -7.182 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.922 -6.081 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.675 -8.665 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.981 -8.046 3.462 1.00 0.00 H new ATOM 625 N PRO A 49 -7.970 -4.638 4.789 1.00 0.00 N ATOM 626 CA PRO A 49 -8.057 -3.969 6.069 1.00 0.00 C ATOM 627 C PRO A 49 -7.316 -4.782 7.122 1.00 0.00 C ATOM 628 O PRO A 49 -7.258 -4.389 8.285 1.00 0.00 O ATOM 629 CB PRO A 49 -9.551 -3.906 6.378 1.00 0.00 C ATOM 630 CG PRO A 49 -10.093 -5.152 5.679 1.00 0.00 C ATOM 631 CD PRO A 49 -9.237 -5.228 4.417 1.00 0.00 C ATOM 0 HA PRO A 49 -7.608 -2.976 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.744 -3.928 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.006 -2.994 5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.983 -6.043 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.153 -5.056 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.111 -6.259 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.699 -4.684 3.593 1.00 0.00 H new ATOM 639 N ALA A 50 -6.751 -5.919 6.711 1.00 0.00 N ATOM 640 CA ALA A 50 -6.021 -6.782 7.618 1.00 0.00 C ATOM 641 C ALA A 50 -4.551 -6.387 7.635 1.00 0.00 C ATOM 642 O ALA A 50 -3.798 -6.827 8.500 1.00 0.00 O ATOM 643 CB ALA A 50 -6.186 -8.234 7.181 1.00 0.00 C ATOM 0 H ALA A 50 -6.790 -6.257 5.750 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.417 -6.673 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.637 -8.884 7.863 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.243 -8.501 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.796 -8.356 6.170 1.00 0.00 H new ATOM 649 N ASP A 51 -4.145 -5.553 6.674 1.00 0.00 N ATOM 650 CA ASP A 51 -2.769 -5.105 6.583 1.00 0.00 C ATOM 651 C ASP A 51 -2.732 -3.598 6.378 1.00 0.00 C ATOM 652 O ASP A 51 -1.783 -3.072 5.800 1.00 0.00 O ATOM 653 CB ASP A 51 -2.076 -5.826 5.431 1.00 0.00 C ATOM 654 CG ASP A 51 -2.882 -5.698 4.146 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.553 -4.653 3.998 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.812 -6.647 3.335 1.00 0.00 O ATOM 0 H ASP A 51 -4.758 -5.178 5.950 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.243 -5.339 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.080 -5.409 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.947 -6.879 5.681 1.00 0.00 H new ATOM 661 N PHE A 52 -3.767 -2.902 6.853 1.00 0.00 N ATOM 662 CA PHE A 52 -3.844 -1.461 6.718 1.00 0.00 C ATOM 663 C PHE A 52 -3.378 -0.796 8.006 1.00 0.00 C ATOM 664 O PHE A 52 -3.988 -0.978 9.057 1.00 0.00 O ATOM 665 CB PHE A 52 -5.279 -1.058 6.389 1.00 0.00 C ATOM 666 CG PHE A 52 -6.010 -0.430 7.552 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.559 0.781 8.091 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.137 -1.061 8.092 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.236 1.362 9.170 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.814 -0.479 9.171 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.363 0.732 9.710 1.00 0.00 C ATOM 0 H PHE A 52 -4.562 -3.322 7.335 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.193 -1.132 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.269 -0.356 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.829 -1.939 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.689 1.267 7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.484 -1.996 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.889 2.296 9.586 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.684 -0.964 9.587 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.885 1.180 10.543 1.00 0.00 H new ATOM 681 N SER A 53 -2.293 -0.023 7.922 1.00 0.00 N ATOM 682 CA SER A 53 -1.753 0.664 9.078 1.00 0.00 C ATOM 683 C SER A 53 -2.058 2.152 8.983 1.00 0.00 C ATOM 684 O SER A 53 -2.645 2.607 8.003 1.00 0.00 O ATOM 685 CB SER A 53 -0.248 0.425 9.154 1.00 0.00 C ATOM 686 OG SER A 53 0.251 0.957 10.361 1.00 0.00 O ATOM 0 H SER A 53 -1.775 0.138 7.058 1.00 0.00 H new ATOM 0 HA SER A 53 -2.216 0.276 9.985 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.035 -0.643 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.249 0.893 8.304 1.00 0.00 H new ATOM 0 HG SER A 53 1.217 0.803 10.412 1.00 0.00 H new ATOM 692 N SER A 54 -1.657 2.912 10.005 1.00 0.00 N ATOM 693 CA SER A 54 -1.888 4.342 10.030 1.00 0.00 C ATOM 694 C SER A 54 -0.736 5.038 10.742 1.00 0.00 C ATOM 695 O SER A 54 -0.098 4.454 11.614 1.00 0.00 O ATOM 696 CB SER A 54 -3.211 4.631 10.732 1.00 0.00 C ATOM 697 OG SER A 54 -2.997 4.714 12.123 1.00 0.00 O ATOM 0 H SER A 54 -1.170 2.551 10.825 1.00 0.00 H new ATOM 0 HA SER A 54 -1.943 4.723 9.010 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.635 5.565 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.932 3.844 10.511 1.00 0.00 H new ATOM 0 HG SER A 54 -3.847 4.901 12.574 1.00 0.00 H new ATOM 703 N VAL A 55 -0.473 6.293 10.367 1.00 0.00 N ATOM 704 CA VAL A 55 0.597 7.062 10.970 1.00 0.00 C ATOM 705 C VAL A 55 0.453 8.529 10.591 1.00 0.00 C ATOM 706 O VAL A 55 -0.254 8.860 9.641 1.00 0.00 O ATOM 707 CB VAL A 55 1.942 6.513 10.505 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.975 6.470 8.980 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.063 7.415 11.012 1.00 0.00 C ATOM 0 H VAL A 55 -0.994 6.791 9.645 1.00 0.00 H new ATOM 0 HA VAL A 55 0.542 6.980 12.056 1.00 0.00 H new ATOM 0 HB VAL A 55 2.079 5.506 10.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.936 6.078 8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.175 5.825 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.838 7.476 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.024 7.023 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.926 8.422 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.041 7.446 12.101 1.00 0.00 H new ATOM 719 N THR A 56 1.125 9.410 11.335 1.00 0.00 N ATOM 720 CA THR A 56 1.066 10.833 11.069 1.00 0.00 C ATOM 721 C THR A 56 2.475 11.398 10.955 1.00 0.00 C ATOM 722 O THR A 56 3.340 11.087 11.771 1.00 0.00 O ATOM 723 CB THR A 56 0.296 11.527 12.189 1.00 0.00 C ATOM 724 OG1 THR A 56 -1.018 11.017 12.241 1.00 0.00 O ATOM 725 CG2 THR A 56 0.248 13.028 11.919 1.00 0.00 C ATOM 0 H THR A 56 1.715 9.154 12.126 1.00 0.00 H new ATOM 0 HA THR A 56 0.549 11.008 10.125 1.00 0.00 H new ATOM 0 HB THR A 56 0.795 11.345 13.141 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.513 11.461 12.961 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.302 13.524 12.719 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.263 13.423 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.252 13.211 10.968 1.00 0.00 H new ATOM 733 N ALA A 57 2.704 12.230 9.936 1.00 0.00 N ATOM 734 CA ALA A 57 4.003 12.833 9.718 1.00 0.00 C ATOM 735 C ALA A 57 4.274 13.876 10.793 1.00 0.00 C ATOM 736 O ALA A 57 3.362 14.579 11.223 1.00 0.00 O ATOM 737 CB ALA A 57 4.044 13.464 8.330 1.00 0.00 C ATOM 0 H ALA A 57 1.997 12.497 9.251 1.00 0.00 H new ATOM 0 HA ALA A 57 4.778 12.069 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.021 13.918 8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.869 12.697 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.271 14.229 8.255 1.00 0.00 H new ATOM 743 N ASP A 58 5.533 13.975 11.228 1.00 0.00 N ATOM 744 CA ASP A 58 5.915 14.929 12.249 1.00 0.00 C ATOM 745 C ASP A 58 6.127 16.299 11.621 1.00 0.00 C ATOM 746 O ASP A 58 5.841 16.493 10.441 1.00 0.00 O ATOM 747 CB ASP A 58 7.188 14.449 12.941 1.00 0.00 C ATOM 748 CG ASP A 58 8.339 14.345 11.950 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.220 14.970 10.874 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.316 13.642 12.287 1.00 0.00 O ATOM 0 H ASP A 58 6.301 13.400 10.882 1.00 0.00 H new ATOM 0 HA ASP A 58 5.121 15.010 12.992 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.454 15.139 13.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.012 13.478 13.403 1.00 0.00 H new ATOM 755 N ALA A 59 6.628 17.250 12.412 1.00 0.00 N ATOM 756 CA ALA A 59 6.873 18.595 11.931 1.00 0.00 C ATOM 757 C ALA A 59 7.925 18.565 10.831 1.00 0.00 C ATOM 758 O ALA A 59 7.960 19.450 9.980 1.00 0.00 O ATOM 759 CB ALA A 59 7.329 19.474 13.091 1.00 0.00 C ATOM 0 H ALA A 59 6.870 17.104 13.392 1.00 0.00 H new ATOM 0 HA ALA A 59 5.954 19.011 11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.514 20.486 12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.553 19.498 13.856 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.247 19.068 13.517 1.00 0.00 H new ATOM 765 N ASN A 60 8.783 17.542 10.851 1.00 0.00 N ATOM 766 CA ASN A 60 9.828 17.405 9.857 1.00 0.00 C ATOM 767 C ASN A 60 9.234 16.918 8.543 1.00 0.00 C ATOM 768 O ASN A 60 9.925 16.863 7.528 1.00 0.00 O ATOM 769 CB ASN A 60 10.886 16.430 10.365 1.00 0.00 C ATOM 770 CG ASN A 60 12.287 16.979 10.134 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.805 17.729 10.958 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.900 16.602 9.010 1.00 0.00 N ATOM 0 H ASN A 60 8.767 16.799 11.550 1.00 0.00 H new ATOM 0 HA ASN A 60 10.297 18.374 9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.735 16.245 11.428 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.778 15.472 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.841 16.939 8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.428 15.977 8.357 1.00 0.00 H new ATOM 779 N GLY A 61 7.946 16.565 8.562 1.00 0.00 N ATOM 780 CA GLY A 61 7.271 16.087 7.372 1.00 0.00 C ATOM 781 C GLY A 61 7.713 14.667 7.049 1.00 0.00 C ATOM 782 O GLY A 61 7.754 14.276 5.885 1.00 0.00 O ATOM 0 H GLY A 61 7.357 16.604 9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.192 16.114 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.492 16.744 6.531 1.00 0.00 H new ATOM 786 N SER A 62 8.047 13.894 8.086 1.00 0.00 N ATOM 787 CA SER A 62 8.483 12.524 7.907 1.00 0.00 C ATOM 788 C SER A 62 7.650 11.598 8.782 1.00 0.00 C ATOM 789 O SER A 62 7.279 11.961 9.897 1.00 0.00 O ATOM 790 CB SER A 62 9.964 12.413 8.258 1.00 0.00 C ATOM 791 OG SER A 62 10.142 12.676 9.632 1.00 0.00 O ATOM 0 H SER A 62 8.021 14.203 9.058 1.00 0.00 H new ATOM 0 HA SER A 62 8.346 12.228 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.332 11.416 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.544 13.119 7.663 1.00 0.00 H new ATOM 0 HG SER A 62 11.093 12.604 9.858 1.00 0.00 H new ATOM 797 N ALA A 63 7.357 10.398 8.275 1.00 0.00 N ATOM 798 CA ALA A 63 6.571 9.428 9.010 1.00 0.00 C ATOM 799 C ALA A 63 7.270 8.076 8.988 1.00 0.00 C ATOM 800 O ALA A 63 8.197 7.867 8.209 1.00 0.00 O ATOM 801 CB ALA A 63 5.180 9.329 8.392 1.00 0.00 C ATOM 0 H ALA A 63 7.658 10.082 7.353 1.00 0.00 H new ATOM 0 HA ALA A 63 6.470 9.746 10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.588 8.599 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.691 10.302 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.266 9.014 7.352 1.00 0.00 H new ATOM 807 N SER A 64 6.822 7.157 9.847 1.00 0.00 N ATOM 808 CA SER A 64 7.405 5.833 9.920 1.00 0.00 C ATOM 809 C SER A 64 6.335 4.817 10.294 1.00 0.00 C ATOM 810 O SER A 64 5.650 4.976 11.302 1.00 0.00 O ATOM 811 CB SER A 64 8.535 5.831 10.947 1.00 0.00 C ATOM 812 OG SER A 64 8.031 5.419 12.198 1.00 0.00 O ATOM 0 H SER A 64 6.054 7.315 10.500 1.00 0.00 H new ATOM 0 HA SER A 64 7.814 5.558 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.332 5.161 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.969 6.827 11.028 1.00 0.00 H new ATOM 0 HG SER A 64 7.057 5.522 12.208 1.00 0.00 H new ATOM 818 N THR A 65 6.193 3.769 9.479 1.00 0.00 N ATOM 819 CA THR A 65 5.209 2.736 9.732 1.00 0.00 C ATOM 820 C THR A 65 5.731 1.392 9.246 1.00 0.00 C ATOM 821 O THR A 65 6.784 1.323 8.615 1.00 0.00 O ATOM 822 CB THR A 65 3.903 3.095 9.028 1.00 0.00 C ATOM 823 OG1 THR A 65 2.886 3.273 9.988 1.00 0.00 O ATOM 824 CG2 THR A 65 3.513 1.969 8.075 1.00 0.00 C ATOM 0 H THR A 65 6.752 3.621 8.639 1.00 0.00 H new ATOM 0 HA THR A 65 5.022 2.663 10.803 1.00 0.00 H new ATOM 0 HB THR A 65 4.035 4.018 8.464 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.047 3.505 9.537 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.580 2.225 7.572 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.300 1.831 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.380 1.045 8.638 1.00 0.00 H new ATOM 832 N SER A 66 4.992 0.321 9.542 1.00 0.00 N ATOM 833 CA SER A 66 5.382 -1.013 9.134 1.00 0.00 C ATOM 834 C SER A 66 4.204 -1.719 8.477 1.00 0.00 C ATOM 835 O SER A 66 3.225 -2.048 9.144 1.00 0.00 O ATOM 836 CB SER A 66 5.871 -1.794 10.350 1.00 0.00 C ATOM 837 OG SER A 66 6.094 -0.904 11.421 1.00 0.00 O ATOM 0 H SER A 66 4.118 0.361 10.066 1.00 0.00 H new ATOM 0 HA SER A 66 6.193 -0.952 8.408 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.133 -2.545 10.634 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.791 -2.326 10.108 1.00 0.00 H new ATOM 0 HG SER A 66 6.406 -1.405 12.203 1.00 0.00 H new ATOM 843 N LEU A 67 4.301 -1.952 7.166 1.00 0.00 N ATOM 844 CA LEU A 67 3.246 -2.617 6.427 1.00 0.00 C ATOM 845 C LEU A 67 3.570 -4.097 6.283 1.00 0.00 C ATOM 846 O LEU A 67 4.733 -4.490 6.356 1.00 0.00 O ATOM 847 CB LEU A 67 3.093 -1.961 5.058 1.00 0.00 C ATOM 848 CG LEU A 67 1.620 -1.951 4.661 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.316 -0.685 3.865 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.316 -3.177 3.804 1.00 0.00 C ATOM 0 H LEU A 67 5.106 -1.685 6.600 1.00 0.00 H new ATOM 0 HA LEU A 67 2.304 -2.523 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.480 -0.942 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.677 -2.504 4.315 1.00 0.00 H new ATOM 0 HG LEU A 67 1.002 -1.973 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.264 -0.678 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.533 0.190 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.934 -0.662 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.264 -3.171 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.934 -3.156 2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.533 -4.081 4.373 1.00 0.00 H new ATOM 862 N THR A 68 2.539 -4.919 6.077 1.00 0.00 N ATOM 863 CA THR A 68 2.724 -6.348 5.923 1.00 0.00 C ATOM 864 C THR A 68 2.229 -6.790 4.554 1.00 0.00 C ATOM 865 O THR A 68 1.199 -6.316 4.080 1.00 0.00 O ATOM 866 CB THR A 68 1.972 -7.079 7.032 1.00 0.00 C ATOM 867 OG1 THR A 68 1.321 -8.208 6.493 1.00 0.00 O ATOM 868 CG2 THR A 68 0.937 -6.142 7.649 1.00 0.00 C ATOM 0 H THR A 68 1.569 -4.611 6.014 1.00 0.00 H new ATOM 0 HA THR A 68 3.784 -6.591 5.998 1.00 0.00 H new ATOM 0 HB THR A 68 2.677 -7.397 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.751 -9.023 6.825 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.400 -6.664 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.439 -5.269 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.232 -5.823 6.882 1.00 0.00 H new ATOM 876 N VAL A 69 2.966 -7.704 3.919 1.00 0.00 N ATOM 877 CA VAL A 69 2.601 -8.206 2.609 1.00 0.00 C ATOM 878 C VAL A 69 2.137 -9.651 2.724 1.00 0.00 C ATOM 879 O VAL A 69 2.785 -10.463 3.379 1.00 0.00 O ATOM 880 CB VAL A 69 3.799 -8.096 1.671 1.00 0.00 C ATOM 881 CG1 VAL A 69 5.087 -8.076 2.489 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.816 -9.293 0.725 1.00 0.00 C ATOM 0 H VAL A 69 3.822 -8.108 4.300 1.00 0.00 H new ATOM 0 HA VAL A 69 1.783 -7.612 2.202 1.00 0.00 H new ATOM 0 HB VAL A 69 3.723 -7.176 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.943 -7.997 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.076 -7.221 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.164 -8.996 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.672 -9.215 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.892 -10.213 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.897 -9.307 0.140 1.00 0.00 H new ATOM 892 N ARG A 70 1.010 -9.970 2.083 1.00 0.00 N ATOM 893 CA ARG A 70 0.465 -11.312 2.116 1.00 0.00 C ATOM 894 C ARG A 70 0.388 -11.872 0.703 1.00 0.00 C ATOM 895 O ARG A 70 0.443 -11.122 -0.269 1.00 0.00 O ATOM 896 CB ARG A 70 -0.918 -11.283 2.761 1.00 0.00 C ATOM 897 CG ARG A 70 -1.102 -9.966 3.510 1.00 0.00 C ATOM 898 CD ARG A 70 0.087 -9.739 4.440 1.00 0.00 C ATOM 899 NE ARG A 70 -0.354 -9.578 5.826 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.694 -10.615 6.604 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.636 -11.863 6.121 1.00 0.00 N ATOM 902 NH2 ARG A 70 -1.092 -10.403 7.866 1.00 0.00 N ATOM 0 H ARG A 70 0.461 -9.307 1.535 1.00 0.00 H new ATOM 0 HA ARG A 70 1.114 -11.958 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.689 -11.391 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.029 -12.123 3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.186 -9.141 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.028 -9.988 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.775 -10.582 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.636 -8.852 4.124 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.405 -8.637 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.333 -12.025 5.161 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.895 -12.652 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.136 -9.453 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.351 -11.192 8.458 1.00 0.00 H new ATOM 916 N ARG A 71 0.261 -13.197 0.590 1.00 0.00 N ATOM 917 CA ARG A 71 0.178 -13.850 -0.701 1.00 0.00 C ATOM 918 C ARG A 71 -1.251 -13.784 -1.221 1.00 0.00 C ATOM 919 O ARG A 71 -1.488 -13.969 -2.413 1.00 0.00 O ATOM 920 CB ARG A 71 0.638 -15.299 -0.567 1.00 0.00 C ATOM 921 CG ARG A 71 -0.077 -15.953 0.612 1.00 0.00 C ATOM 922 CD ARG A 71 -0.286 -17.436 0.321 1.00 0.00 C ATOM 923 NE ARG A 71 -1.318 -18.002 1.190 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.860 -19.209 0.982 1.00 0.00 C ATOM 925 NH1 ARG A 71 -1.461 -19.953 -0.059 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.803 -19.673 1.813 1.00 0.00 N ATOM 0 H ARG A 71 0.214 -13.833 1.386 1.00 0.00 H new ATOM 0 HA ARG A 71 0.827 -13.341 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.424 -15.846 -1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.717 -15.337 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.511 -15.829 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.037 -15.466 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.572 -17.568 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.651 -17.974 0.466 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.638 -17.454 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.744 -19.600 -0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.874 -20.872 -0.217 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.109 -19.107 2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.215 -20.592 1.654 1.00 0.00 H new ATOM 940 N SER A 72 -2.203 -13.520 -0.324 1.00 0.00 N ATOM 941 CA SER A 72 -3.600 -13.430 -0.698 1.00 0.00 C ATOM 942 C SER A 72 -4.393 -12.769 0.421 1.00 0.00 C ATOM 943 O SER A 72 -4.026 -12.872 1.590 1.00 0.00 O ATOM 944 CB SER A 72 -4.139 -14.828 -0.989 1.00 0.00 C ATOM 945 OG SER A 72 -3.862 -15.675 0.103 1.00 0.00 O ATOM 0 H SER A 72 -2.022 -13.366 0.668 1.00 0.00 H new ATOM 0 HA SER A 72 -3.701 -12.821 -1.596 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.214 -14.785 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.682 -15.224 -1.896 1.00 0.00 H new ATOM 0 HG SER A 72 -4.209 -16.572 -0.083 1.00 0.00 H new ATOM 951 N PHE A 73 -5.484 -12.089 0.061 1.00 0.00 N ATOM 952 CA PHE A 73 -6.321 -11.419 1.035 1.00 0.00 C ATOM 953 C PHE A 73 -7.537 -10.816 0.345 1.00 0.00 C ATOM 954 O PHE A 73 -7.494 -10.524 -0.848 1.00 0.00 O ATOM 955 CB PHE A 73 -5.509 -10.337 1.742 1.00 0.00 C ATOM 956 CG PHE A 73 -4.747 -9.440 0.796 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.440 -8.582 -0.066 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.347 -9.464 0.784 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.733 -7.749 -0.942 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.640 -8.631 -0.091 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.333 -7.774 -0.954 1.00 0.00 C ATOM 0 H PHE A 73 -5.802 -11.993 -0.903 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.669 -12.138 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.180 -9.727 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.805 -10.811 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.520 -8.562 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.813 -10.125 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.267 -7.088 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.560 -8.649 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.788 -7.132 -1.630 1.00 0.00 H new ATOM 971 N GLU A 74 -8.623 -10.631 1.098 1.00 0.00 N ATOM 972 CA GLU A 74 -9.841 -10.065 0.553 1.00 0.00 C ATOM 973 C GLU A 74 -9.532 -8.753 -0.155 1.00 0.00 C ATOM 974 O GLU A 74 -8.952 -7.846 0.438 1.00 0.00 O ATOM 975 CB GLU A 74 -10.847 -9.847 1.680 1.00 0.00 C ATOM 976 CG GLU A 74 -10.190 -9.050 2.802 1.00 0.00 C ATOM 977 CD GLU A 74 -10.366 -9.752 4.141 1.00 0.00 C ATOM 978 OE1 GLU A 74 -9.775 -10.842 4.293 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.088 -9.184 4.989 1.00 0.00 O ATOM 0 H GLU A 74 -8.676 -10.868 2.089 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.271 -10.753 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.720 -9.314 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.198 -10.807 2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.128 -8.923 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.627 -8.053 2.849 1.00 0.00 H new ATOM 986 N GLY A 75 -9.921 -8.654 -1.428 1.00 0.00 N ATOM 987 CA GLY A 75 -9.683 -7.454 -2.205 1.00 0.00 C ATOM 988 C GLY A 75 -10.768 -6.423 -1.929 1.00 0.00 C ATOM 989 O GLY A 75 -11.809 -6.423 -2.583 1.00 0.00 O ATOM 0 H GLY A 75 -10.402 -9.396 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.706 -7.039 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.665 -7.698 -3.267 1.00 0.00 H new ATOM 993 N PHE A 76 -10.523 -5.542 -0.957 1.00 0.00 N ATOM 994 CA PHE A 76 -11.479 -4.513 -0.601 1.00 0.00 C ATOM 995 C PHE A 76 -11.309 -3.311 -1.520 1.00 0.00 C ATOM 996 O PHE A 76 -10.408 -2.499 -1.323 1.00 0.00 O ATOM 997 CB PHE A 76 -11.274 -4.112 0.857 1.00 0.00 C ATOM 998 CG PHE A 76 -12.438 -4.472 1.750 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.663 -3.810 1.605 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.292 -5.470 2.721 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.742 -4.146 2.431 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.372 -5.806 3.547 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.596 -5.143 3.402 1.00 0.00 C ATOM 0 H PHE A 76 -9.665 -5.528 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.493 -4.896 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.373 -4.595 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.105 -3.036 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.776 -3.040 0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.347 -5.981 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.687 -3.636 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.260 -6.576 4.296 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.428 -5.401 4.040 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.180 -3.198 -2.526 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.123 -2.098 -3.468 1.00 0.00 C ATOM 1015 C LEU A 77 -12.244 -0.775 -2.725 1.00 0.00 C ATOM 1016 O LEU A 77 -13.015 -0.663 -1.775 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.244 -2.248 -4.492 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.702 -0.866 -4.950 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.585 -0.197 -5.745 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -14.940 -1.007 -5.830 1.00 0.00 C ATOM 0 H LEU A 77 -12.933 -3.863 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.167 -2.111 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.896 -2.829 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.080 -2.794 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.943 -0.256 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.912 0.790 -6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.701 -0.096 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.343 -0.806 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.268 -0.020 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.700 -1.617 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.738 -1.484 -5.261 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.479 0.228 -3.161 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.507 1.535 -2.536 1.00 0.00 C ATOM 1034 C PHE A 78 -12.948 1.983 -2.338 1.00 0.00 C ATOM 1035 O PHE A 78 -13.292 2.532 -1.293 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.745 2.530 -3.407 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.351 2.825 -2.908 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.287 1.991 -3.271 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.122 3.933 -2.084 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -6.993 2.265 -2.810 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.828 4.207 -1.623 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.764 3.373 -1.986 1.00 0.00 C ATOM 0 H PHE A 78 -10.834 0.151 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.027 1.485 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.683 2.139 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.309 3.462 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.464 1.136 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.943 4.577 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.172 1.621 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.651 5.062 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.766 3.584 -1.630 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.792 1.748 -3.345 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.188 2.128 -3.277 1.00 0.00 C ATOM 1054 C ASP A 79 -15.842 1.474 -2.069 1.00 0.00 C ATOM 1055 O ASP A 79 -16.918 1.887 -1.643 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.892 1.710 -4.565 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.601 2.894 -5.207 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -16.234 4.035 -4.852 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.497 2.636 -6.039 1.00 0.00 O ATOM 0 H ASP A 79 -13.523 1.294 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.269 3.210 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.165 1.295 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.614 0.922 -4.350 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.189 0.449 -1.514 1.00 0.00 N ATOM 1065 CA GLY A 80 -15.713 -0.252 -0.360 1.00 0.00 C ATOM 1066 C GLY A 80 -16.500 -1.479 -0.801 1.00 0.00 C ATOM 1067 O GLY A 80 -17.424 -1.907 -0.113 1.00 0.00 O ATOM 0 H GLY A 80 -14.295 0.093 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -14.895 -0.552 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.356 0.413 0.217 1.00 0.00 H new ATOM 1071 N THR A 81 -16.132 -2.045 -1.952 1.00 0.00 N ATOM 1072 CA THR A 81 -16.805 -3.217 -2.474 1.00 0.00 C ATOM 1073 C THR A 81 -15.897 -4.432 -2.355 1.00 0.00 C ATOM 1074 O THR A 81 -14.749 -4.399 -2.793 1.00 0.00 O ATOM 1075 CB THR A 81 -17.192 -2.973 -3.930 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.371 -2.201 -3.979 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.432 -4.311 -4.624 1.00 0.00 C ATOM 0 H THR A 81 -15.368 -1.703 -2.536 1.00 0.00 H new ATOM 0 HA THR A 81 -17.710 -3.408 -1.897 1.00 0.00 H new ATOM 0 HB THR A 81 -16.387 -2.441 -4.436 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.619 -2.042 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.708 -4.137 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.522 -4.909 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.238 -4.844 -4.119 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.415 -5.508 -1.758 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.652 -6.727 -1.583 1.00 0.00 C ATOM 1087 C ARG A 82 -15.473 -7.422 -2.926 1.00 0.00 C ATOM 1088 O ARG A 82 -16.313 -8.223 -3.329 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.373 -7.640 -0.595 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.858 -7.696 -0.944 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.421 -9.060 -0.556 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.136 -9.671 -1.677 1.00 0.00 N ATOM 1093 CZ ARG A 82 -19.954 -10.722 -1.530 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.146 -11.256 -0.316 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -20.580 -11.238 -2.596 1.00 0.00 N ATOM 0 H ARG A 82 -17.365 -5.551 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.666 -6.488 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.943 -8.641 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.241 -7.270 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.396 -6.906 -0.419 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.998 -7.523 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.610 -9.715 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -19.095 -8.951 0.294 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.006 -9.280 -2.610 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.670 -10.862 0.495 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.769 -12.056 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.434 -10.831 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.203 -12.038 -2.484 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.375 -7.113 -3.619 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.095 -7.712 -4.908 1.00 0.00 C ATOM 1111 C TRP A 83 -13.936 -9.218 -4.757 1.00 0.00 C ATOM 1112 O TRP A 83 -14.666 -9.987 -5.378 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.830 -7.090 -5.493 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.993 -6.495 -6.855 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.724 -5.212 -7.183 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.458 -7.132 -8.084 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.989 -5.013 -8.522 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.445 -6.167 -9.127 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.889 -8.427 -8.424 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.838 -6.468 -10.434 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.285 -8.739 -9.733 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.261 -7.765 -10.737 1.00 0.00 C ATOM 0 H TRP A 83 -13.669 -6.449 -3.301 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.926 -7.523 -5.588 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.476 -6.315 -4.814 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.054 -7.854 -5.537 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.358 -4.458 -6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.864 -4.123 -9.005 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -13.915 -9.194 -7.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.815 -5.708 -11.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.612 -9.741 -9.968 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.568 -8.014 -11.742 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.977 -9.638 -3.929 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.730 -11.049 -3.704 1.00 0.00 C ATOM 1135 C GLY A 84 -11.284 -11.271 -3.283 1.00 0.00 C ATOM 1136 O GLY A 84 -10.457 -10.369 -3.393 1.00 0.00 O ATOM 0 H GLY A 84 -12.362 -9.014 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.402 -11.424 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.942 -11.612 -4.613 1.00 0.00 H new ATOM 1140 N THR A 85 -10.981 -12.477 -2.798 1.00 0.00 N ATOM 1141 CA THR A 85 -9.638 -12.808 -2.365 1.00 0.00 C ATOM 1142 C THR A 85 -8.664 -12.644 -3.523 1.00 0.00 C ATOM 1143 O THR A 85 -8.749 -13.363 -4.516 1.00 0.00 O ATOM 1144 CB THR A 85 -9.613 -14.239 -1.836 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.875 -14.562 -1.296 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.548 -14.362 -0.750 1.00 0.00 C ATOM 0 H THR A 85 -11.655 -13.236 -2.698 1.00 0.00 H new ATOM 0 HA THR A 85 -9.335 -12.133 -1.565 1.00 0.00 H new ATOM 0 HB THR A 85 -9.380 -14.924 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.860 -15.482 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.530 -15.384 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.572 -14.112 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.780 -13.677 0.066 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.736 -11.692 -3.393 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.752 -11.438 -4.426 1.00 0.00 C ATOM 1156 C VAL A 86 -5.535 -12.325 -4.206 1.00 0.00 C ATOM 1157 O VAL A 86 -5.179 -12.624 -3.069 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.358 -9.964 -4.400 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.353 -9.686 -5.514 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.601 -9.103 -4.609 1.00 0.00 C ATOM 0 H VAL A 86 -7.653 -11.087 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.175 -11.670 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.907 -9.725 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.071 -8.633 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.466 -10.302 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.803 -9.924 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.321 -8.050 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.051 -9.342 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.319 -9.302 -3.813 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.896 -12.747 -5.300 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.725 -13.597 -5.222 1.00 0.00 C ATOM 1172 C ASP A 87 -2.472 -12.770 -5.470 1.00 0.00 C ATOM 1173 O ASP A 87 -2.052 -12.606 -6.613 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.844 -14.721 -6.247 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.424 -15.977 -5.611 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -3.647 -16.678 -4.928 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -5.634 -16.213 -5.821 1.00 0.00 O ATOM 0 H ASP A 87 -5.178 -12.508 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.655 -14.037 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.479 -14.400 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.863 -14.941 -6.667 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.875 -12.250 -4.396 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.675 -11.444 -4.502 1.00 0.00 C ATOM 1184 C CYS A 88 0.378 -12.193 -5.307 1.00 0.00 C ATOM 1185 O CYS A 88 1.283 -11.581 -5.869 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.157 -11.118 -3.104 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.427 -9.400 -2.602 1.00 0.00 S ATOM 0 H CYS A 88 -2.211 -12.378 -3.442 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.902 -10.511 -5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.643 -11.777 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.911 -11.334 -3.063 1.00 0.00 H new ATOM 1192 N THR A 89 0.258 -13.522 -5.361 1.00 0.00 N ATOM 1193 CA THR A 89 1.200 -14.341 -6.097 1.00 0.00 C ATOM 1194 C THR A 89 0.766 -14.450 -7.552 1.00 0.00 C ATOM 1195 O THR A 89 1.404 -15.142 -8.343 1.00 0.00 O ATOM 1196 CB THR A 89 1.282 -15.722 -5.453 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.056 -16.395 -5.626 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.575 -15.572 -3.963 1.00 0.00 C ATOM 0 H THR A 89 -0.486 -14.046 -4.900 1.00 0.00 H new ATOM 0 HA THR A 89 2.187 -13.880 -6.068 1.00 0.00 H new ATOM 0 HB THR A 89 2.080 -16.296 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.109 -17.283 -5.214 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.634 -16.558 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.524 -15.052 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.777 -14.998 -3.491 1.00 0.00 H new ATOM 1206 N THR A 90 -0.323 -13.763 -7.905 1.00 0.00 N ATOM 1207 CA THR A 90 -0.832 -13.788 -9.262 1.00 0.00 C ATOM 1208 C THR A 90 -0.740 -12.398 -9.875 1.00 0.00 C ATOM 1209 O THR A 90 -0.620 -12.259 -11.090 1.00 0.00 O ATOM 1210 CB THR A 90 -2.276 -14.281 -9.253 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.293 -15.680 -9.084 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.944 -13.920 -10.577 1.00 0.00 C ATOM 0 H THR A 90 -0.864 -13.184 -7.263 1.00 0.00 H new ATOM 0 HA THR A 90 -0.233 -14.469 -9.866 1.00 0.00 H new ATOM 0 HB THR A 90 -2.817 -13.809 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.220 -15.997 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.976 -14.272 -10.572 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.930 -12.838 -10.708 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.404 -14.392 -11.398 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.797 -11.367 -9.029 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.722 -9.995 -9.490 1.00 0.00 C ATOM 1222 C ALA A 91 0.277 -9.220 -8.641 1.00 0.00 C ATOM 1223 O ALA A 91 0.732 -9.712 -7.611 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.106 -9.357 -9.413 1.00 0.00 C ATOM 0 H ALA A 91 -0.895 -11.466 -8.019 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.383 -9.973 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.051 -8.325 -9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.799 -9.915 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.458 -9.375 -8.382 1.00 0.00 H new ATOM 1230 N ALA A 92 0.618 -8.006 -9.078 1.00 0.00 N ATOM 1231 CA ALA A 92 1.560 -7.172 -8.359 1.00 0.00 C ATOM 1232 C ALA A 92 0.818 -6.304 -7.353 1.00 0.00 C ATOM 1233 O ALA A 92 -0.115 -5.590 -7.715 1.00 0.00 O ATOM 1234 CB ALA A 92 2.334 -6.308 -9.352 1.00 0.00 C ATOM 0 H ALA A 92 0.250 -7.585 -9.931 1.00 0.00 H new ATOM 0 HA ALA A 92 2.266 -7.800 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.043 -5.680 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.874 -6.949 -10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.638 -5.677 -9.905 1.00 0.00 H new ATOM 1240 N CYS A 93 1.235 -6.367 -6.086 1.00 0.00 N ATOM 1241 CA CYS A 93 0.609 -5.590 -5.035 1.00 0.00 C ATOM 1242 C CYS A 93 1.499 -4.409 -4.670 1.00 0.00 C ATOM 1243 O CYS A 93 2.695 -4.422 -4.948 1.00 0.00 O ATOM 1244 CB CYS A 93 0.366 -6.480 -3.821 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.355 -8.091 -4.223 1.00 0.00 S ATOM 0 H CYS A 93 2.008 -6.954 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.350 -5.205 -5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.312 -6.636 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.296 -5.960 -3.128 1.00 0.00 H new ATOM 1250 N GLN A 94 0.910 -3.387 -4.044 1.00 0.00 N ATOM 1251 CA GLN A 94 1.650 -2.207 -3.646 1.00 0.00 C ATOM 1252 C GLN A 94 1.093 -1.664 -2.338 1.00 0.00 C ATOM 1253 O GLN A 94 -0.115 -1.700 -2.113 1.00 0.00 O ATOM 1254 CB GLN A 94 1.561 -1.156 -4.749 1.00 0.00 C ATOM 1255 CG GLN A 94 0.522 -0.106 -4.370 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.028 0.586 -5.609 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.044 0.043 -6.709 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.578 1.789 -5.428 1.00 0.00 N ATOM 0 H GLN A 94 -0.081 -3.362 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 94 2.698 -2.466 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.533 -0.685 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.289 -1.627 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.293 -0.577 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.971 0.632 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.614 2.198 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.962 2.299 -6.223 1.00 0.00 H new ATOM 1267 N VAL A 95 1.977 -1.158 -1.475 1.00 0.00 N ATOM 1268 CA VAL A 95 1.570 -0.611 -0.196 1.00 0.00 C ATOM 1269 C VAL A 95 1.449 0.903 -0.300 1.00 0.00 C ATOM 1270 O VAL A 95 2.049 1.517 -1.179 1.00 0.00 O ATOM 1271 CB VAL A 95 2.590 -1.000 0.870 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.559 0.024 2.002 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.245 -2.380 1.424 1.00 0.00 C ATOM 0 H VAL A 95 2.982 -1.120 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 95 0.598 -1.016 0.086 1.00 0.00 H new ATOM 0 HB VAL A 95 3.586 -1.024 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.288 -0.254 2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.804 1.010 1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.563 0.048 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.973 -2.659 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.249 -2.356 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.266 -3.112 0.617 1.00 0.00 H new ATOM 1283 N GLY A 96 0.669 1.505 0.602 1.00 0.00 N ATOM 1284 CA GLY A 96 0.477 2.941 0.603 1.00 0.00 C ATOM 1285 C GLY A 96 -0.427 3.352 1.757 1.00 0.00 C ATOM 1286 O GLY A 96 -1.011 2.501 2.424 1.00 0.00 O ATOM 0 H GLY A 96 0.164 1.012 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.440 3.444 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.037 3.257 -0.343 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.541 4.662 1.990 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.371 5.179 3.060 1.00 0.00 C ATOM 1292 C LEU A 97 -2.263 6.292 2.530 1.00 0.00 C ATOM 1293 O LEU A 97 -1.899 6.983 1.581 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.482 5.690 4.191 1.00 0.00 C ATOM 1295 CG LEU A 97 0.438 6.785 3.659 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.524 7.917 4.678 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.830 6.208 3.419 1.00 0.00 C ATOM 0 H LEU A 97 -0.063 5.380 1.445 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.008 4.384 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.096 6.079 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.109 4.871 4.602 1.00 0.00 H new ATOM 0 HG LEU A 97 0.039 7.171 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.181 8.699 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.470 8.329 4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.923 7.532 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.487 6.990 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.230 5.821 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.768 5.400 2.690 1.00 0.00 H new ATOM 1309 N SER A 98 -3.434 6.465 3.147 1.00 0.00 N ATOM 1310 CA SER A 98 -4.369 7.493 2.735 1.00 0.00 C ATOM 1311 C SER A 98 -4.775 8.334 3.937 1.00 0.00 C ATOM 1312 O SER A 98 -4.779 7.846 5.065 1.00 0.00 O ATOM 1313 CB SER A 98 -5.591 6.841 2.094 1.00 0.00 C ATOM 1314 OG SER A 98 -6.331 6.158 3.082 1.00 0.00 O ATOM 0 H SER A 98 -3.750 5.900 3.935 1.00 0.00 H new ATOM 0 HA SER A 98 -3.896 8.147 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.213 7.599 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.279 6.147 1.313 1.00 0.00 H new ATOM 0 HG SER A 98 -6.236 5.191 2.952 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.117 9.601 3.693 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.521 10.501 4.754 1.00 0.00 C ATOM 1322 C ASP A 99 -6.993 10.855 4.595 1.00 0.00 C ATOM 1323 O ASP A 99 -7.722 10.178 3.874 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.655 11.757 4.711 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.292 12.827 3.836 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.238 12.655 2.599 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.819 13.798 4.420 1.00 0.00 O ATOM 0 H ASP A 99 -5.119 10.020 2.763 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.386 10.016 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.517 12.143 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.666 11.508 4.326 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.429 11.920 5.272 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.809 12.357 5.204 1.00 0.00 C ATOM 1334 C ALA A 100 -9.125 12.852 3.800 1.00 0.00 C ATOM 1335 O ALA A 100 -10.133 12.463 3.214 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.044 13.460 6.232 1.00 0.00 C ATOM 0 H ALA A 100 -6.837 12.492 5.874 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.471 11.521 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.082 13.789 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.833 13.078 7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.385 14.302 6.019 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.259 13.713 3.260 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.449 14.257 1.931 1.00 0.00 C ATOM 1344 C ALA A 101 -8.303 13.151 0.895 1.00 0.00 C ATOM 1345 O ALA A 101 -8.837 13.256 -0.207 1.00 0.00 O ATOM 1346 CB ALA A 101 -7.430 15.366 1.685 1.00 0.00 C ATOM 0 H ALA A 101 -7.418 14.044 3.733 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.451 14.677 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.572 15.776 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.566 16.156 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.422 14.960 1.770 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.576 12.089 1.251 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.367 10.974 0.349 1.00 0.00 C ATOM 1354 C GLY A 102 -6.067 11.157 -0.422 1.00 0.00 C ATOM 1355 O GLY A 102 -6.057 11.102 -1.650 1.00 0.00 O ATOM 0 H GLY A 102 -7.125 11.986 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.336 10.042 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.203 10.898 -0.346 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.967 11.376 0.302 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.670 11.565 -0.316 1.00 0.00 C ATOM 1361 C ASN A 103 -2.632 10.695 0.378 1.00 0.00 C ATOM 1362 O ASN A 103 -2.896 10.140 1.443 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.281 13.038 -0.238 1.00 0.00 C ATOM 1364 CG ASN A 103 -2.334 13.289 0.927 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -1.249 13.835 0.740 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.748 12.890 2.132 1.00 0.00 N ATOM 0 H ASN A 103 -4.958 11.425 1.321 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.717 11.269 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.806 13.343 -1.170 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.176 13.649 -0.122 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.154 13.034 2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.658 12.441 2.236 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.447 10.578 -0.226 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.380 9.778 0.340 1.00 0.00 C ATOM 1375 C GLY A 104 0.919 10.022 -0.414 1.00 0.00 C ATOM 1376 O GLY A 104 0.950 10.795 -1.370 1.00 0.00 O ATOM 0 H GLY A 104 -1.211 11.032 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.249 10.026 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.644 8.721 0.292 1.00 0.00 H new ATOM 1380 N PRO A 105 1.995 9.361 0.019 1.00 0.00 N ATOM 1381 CA PRO A 105 3.311 9.467 -0.573 1.00 0.00 C ATOM 1382 C PRO A 105 3.326 8.753 -1.917 1.00 0.00 C ATOM 1383 O PRO A 105 2.451 7.937 -2.197 1.00 0.00 O ATOM 1384 CB PRO A 105 4.245 8.782 0.422 1.00 0.00 C ATOM 1385 CG PRO A 105 3.341 7.730 1.064 1.00 0.00 C ATOM 1386 CD PRO A 105 1.995 8.446 1.140 1.00 0.00 C ATOM 0 HA PRO A 105 3.611 10.499 -0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.103 8.329 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.636 9.484 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.284 6.823 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.699 7.436 2.050 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.168 7.740 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.884 8.979 2.084 1.00 0.00 H new ATOM 1394 N GLU A 106 4.322 9.062 -2.750 1.00 0.00 N ATOM 1395 CA GLU A 106 4.441 8.448 -4.057 1.00 0.00 C ATOM 1396 C GLU A 106 4.104 6.966 -3.967 1.00 0.00 C ATOM 1397 O GLU A 106 4.715 6.234 -3.192 1.00 0.00 O ATOM 1398 CB GLU A 106 5.859 8.649 -4.584 1.00 0.00 C ATOM 1399 CG GLU A 106 5.874 9.808 -5.576 1.00 0.00 C ATOM 1400 CD GLU A 106 6.198 9.319 -6.980 1.00 0.00 C ATOM 1401 OE1 GLU A 106 5.343 8.600 -7.541 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.294 9.673 -7.466 1.00 0.00 O ATOM 0 H GLU A 106 5.056 9.737 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 106 3.740 8.917 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.540 8.855 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.211 7.738 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.904 10.305 -5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.612 10.548 -5.265 1.00 0.00 H new ATOM 1409 N GLY A 107 3.129 6.524 -4.765 1.00 0.00 N ATOM 1410 CA GLY A 107 2.720 5.134 -4.769 1.00 0.00 C ATOM 1411 C GLY A 107 3.928 4.228 -4.573 1.00 0.00 C ATOM 1412 O GLY A 107 5.044 4.589 -4.941 1.00 0.00 O ATOM 0 H GLY A 107 2.613 7.117 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.993 4.959 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.227 4.895 -5.711 1.00 0.00 H new ATOM 1416 N VAL A 108 3.703 3.048 -3.991 1.00 0.00 N ATOM 1417 CA VAL A 108 4.770 2.098 -3.749 1.00 0.00 C ATOM 1418 C VAL A 108 4.486 0.804 -4.498 1.00 0.00 C ATOM 1419 O VAL A 108 3.642 0.015 -4.080 1.00 0.00 O ATOM 1420 CB VAL A 108 4.890 1.841 -2.250 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.574 0.497 -2.018 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.717 2.951 -1.608 1.00 0.00 C ATOM 0 H VAL A 108 2.783 2.734 -3.680 1.00 0.00 H new ATOM 0 HA VAL A 108 5.715 2.504 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 108 3.896 1.825 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.660 0.313 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.983 -0.296 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.568 0.513 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.803 2.768 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.711 2.968 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.228 3.911 -1.774 1.00 0.00 H new ATOM 1432 N ALA A 109 5.195 0.587 -5.609 1.00 0.00 N ATOM 1433 CA ALA A 109 5.016 -0.607 -6.409 1.00 0.00 C ATOM 1434 C ALA A 109 5.781 -1.765 -5.784 1.00 0.00 C ATOM 1435 O ALA A 109 6.906 -1.591 -5.321 1.00 0.00 O ATOM 1436 CB ALA A 109 5.502 -0.343 -7.831 1.00 0.00 C ATOM 0 H ALA A 109 5.899 1.232 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 109 3.959 -0.872 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.368 -1.241 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.928 0.475 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.558 -0.074 -7.811 1.00 0.00 H new ATOM 1442 N ILE A 110 5.166 -2.951 -5.772 1.00 0.00 N ATOM 1443 CA ILE A 110 5.789 -4.131 -5.206 1.00 0.00 C ATOM 1444 C ILE A 110 5.536 -5.329 -6.110 1.00 0.00 C ATOM 1445 O ILE A 110 5.009 -5.179 -7.210 1.00 0.00 O ATOM 1446 CB ILE A 110 5.231 -4.380 -3.808 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.707 -4.437 -3.870 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.660 -3.246 -2.881 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.167 -5.020 -2.568 1.00 0.00 C ATOM 0 H ILE A 110 4.233 -3.110 -6.152 1.00 0.00 H new ATOM 0 HA ILE A 110 6.866 -3.979 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 110 5.614 -5.327 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.301 -3.438 -4.030 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.389 -5.049 -4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.262 -3.423 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.748 -3.205 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.277 -2.300 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.079 -5.061 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.563 -6.026 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.473 -4.390 -1.733 1.00 0.00 H new ATOM 1461 N SER A 111 5.913 -6.522 -5.644 1.00 0.00 N ATOM 1462 CA SER A 111 5.724 -7.737 -6.411 1.00 0.00 C ATOM 1463 C SER A 111 6.231 -8.933 -5.618 1.00 0.00 C ATOM 1464 O SER A 111 6.972 -8.771 -4.651 1.00 0.00 O ATOM 1465 CB SER A 111 6.462 -7.617 -7.741 1.00 0.00 C ATOM 1466 OG SER A 111 5.563 -7.855 -8.800 1.00 0.00 O ATOM 0 H SER A 111 6.352 -6.664 -4.734 1.00 0.00 H new ATOM 0 HA SER A 111 4.663 -7.884 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.900 -6.624 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.283 -8.333 -7.779 1.00 0.00 H new ATOM 0 HG SER A 111 6.036 -7.776 -9.655 1.00 0.00 H new ATOM 1472 N PHE A 112 5.830 -10.138 -6.030 1.00 0.00 N ATOM 1473 CA PHE A 112 6.247 -11.352 -5.357 1.00 0.00 C ATOM 1474 C PHE A 112 7.051 -12.222 -6.313 1.00 0.00 C ATOM 1475 O PHE A 112 6.530 -12.679 -7.327 1.00 0.00 O ATOM 1476 CB PHE A 112 5.017 -12.099 -4.850 1.00 0.00 C ATOM 1477 CG PHE A 112 4.081 -11.237 -4.036 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.416 -10.163 -4.639 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.877 -11.514 -2.679 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.547 -9.365 -3.885 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.008 -10.716 -1.925 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.343 -9.642 -2.528 1.00 0.00 C ATOM 0 H PHE A 112 5.215 -10.290 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 112 6.880 -11.102 -4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.473 -12.508 -5.702 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.340 -12.944 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.573 -9.950 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.390 -12.343 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.034 -8.536 -4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.851 -10.929 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.672 -9.027 -1.946 1.00 0.00 H new ATOM 1492 N ASN A 113 8.326 -12.450 -5.986 1.00 0.00 N ATOM 1493 CA ASN A 113 9.192 -13.263 -6.816 1.00 0.00 C ATOM 1494 C ASN A 113 10.390 -13.738 -6.007 1.00 0.00 C ATOM 1495 O ASN A 113 10.624 -14.938 -5.883 1.00 0.00 O ATOM 1496 CB ASN A 113 9.644 -12.451 -8.026 1.00 0.00 C ATOM 1497 CG ASN A 113 8.448 -11.971 -8.836 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.928 -12.706 -9.672 1.00 0.00 O ATOM 1499 ND2 ASN A 113 8.012 -10.734 -8.585 1.00 0.00 N ATOM 0 H ASN A 113 8.774 -12.078 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 113 8.647 -14.140 -7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.232 -11.595 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.294 -13.059 -8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.213 -10.361 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.478 -10.162 -7.880 1.00 0.00 H new TER 1506 ASN A 113