USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 609 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 Single : A 1 ALA N :NH3+ 138:sc= 1.02 (180deg=0.506) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= -0.684 (180deg=-0.726) USER MOD Single : A 14 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-7!) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.533 (180deg=-0.925!) USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= -1.59! (180deg=-5.52!) USER MOD Single : A 30 ASN : amide:sc= -6.55! C(o=-6.6!,f=-26!) USER MOD Single : A 36 CYS SG : rot -78:sc= -2.53! USER MOD Single : A 39 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.16) USER MOD Single : A 40 ASN : amide:sc= -2.45 K(o=-2.4,f=-4.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 45:sc= 1.36 USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 0.852! (180deg=-2.08!) USER MOD Single : A 54 LYS NZ :NH3+ -93:sc= -5.21! (180deg=-6.01!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -121:sc= 0.362 USER MOD Single : A 70 GLN : amide:sc=-0.00534 X(o=-0.0053,f=-0.034) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 113:sc= 0.714 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.458 -13.102 2.395 1.00 0.00 N ATOM 2 CA ALA A 1 1.820 -12.515 2.389 1.00 0.00 C ATOM 3 C ALA A 1 1.569 -11.149 2.978 1.00 0.00 C ATOM 4 O ALA A 1 0.752 -11.057 3.878 1.00 0.00 O ATOM 5 CB ALA A 1 2.375 -12.415 0.960 1.00 0.00 C ATOM 0 H1 ALA A 1 0.296 -13.613 1.504 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.368 -13.762 3.194 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.247 -12.343 2.491 1.00 0.00 H new ATOM 0 HA ALA A 1 2.558 -13.102 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.375 -11.981 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.423 -13.410 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.721 -11.783 0.359 1.00 0.00 H new ATOM 13 N PHE A 2 2.237 -10.147 2.495 1.00 0.00 N ATOM 14 CA PHE A 2 1.998 -8.808 3.065 1.00 0.00 C ATOM 15 C PHE A 2 1.072 -8.103 2.082 1.00 0.00 C ATOM 16 O PHE A 2 1.521 -7.392 1.203 1.00 0.00 O ATOM 17 CB PHE A 2 3.339 -8.061 3.209 1.00 0.00 C ATOM 18 CG PHE A 2 3.190 -6.869 4.164 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.958 -6.313 4.461 1.00 0.00 C ATOM 20 CD2 PHE A 2 4.314 -6.340 4.755 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.847 -5.262 5.324 1.00 0.00 C ATOM 22 CE2 PHE A 2 4.206 -5.281 5.625 1.00 0.00 C ATOM 23 CZ PHE A 2 2.966 -4.745 5.907 1.00 0.00 C ATOM 0 H PHE A 2 2.925 -10.197 1.744 1.00 0.00 H new ATOM 0 HA PHE A 2 1.550 -8.850 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.103 -8.742 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.675 -7.712 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.069 -6.718 4.002 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.285 -6.758 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.877 -4.841 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.091 -4.869 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.882 -3.914 6.591 1.00 0.00 H new ATOM 33 N GLU A 3 -0.195 -8.338 2.270 1.00 0.00 N ATOM 34 CA GLU A 3 -1.227 -7.710 1.394 1.00 0.00 C ATOM 35 C GLU A 3 -1.391 -6.259 1.866 1.00 0.00 C ATOM 36 O GLU A 3 -0.720 -5.832 2.785 1.00 0.00 O ATOM 37 CB GLU A 3 -2.532 -8.552 1.531 1.00 0.00 C ATOM 38 CG GLU A 3 -2.443 -9.791 0.576 1.00 0.00 C ATOM 39 CD GLU A 3 -1.188 -10.610 0.889 1.00 0.00 C ATOM 40 OE1 GLU A 3 -1.248 -11.385 1.820 1.00 0.00 O ATOM 41 OE2 GLU A 3 -0.190 -10.451 0.218 1.00 0.00 O ATOM 0 H GLU A 3 -0.566 -8.945 3.001 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.956 -7.693 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -2.662 -8.880 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.401 -7.944 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.330 -10.413 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.420 -9.459 -0.462 1.00 0.00 H new ATOM 48 N PHE A 4 -2.281 -5.529 1.249 1.00 0.00 N ATOM 49 CA PHE A 4 -2.462 -4.090 1.672 1.00 0.00 C ATOM 50 C PHE A 4 -3.644 -3.755 2.603 1.00 0.00 C ATOM 51 O PHE A 4 -3.538 -2.814 3.364 1.00 0.00 O ATOM 52 CB PHE A 4 -2.560 -3.211 0.379 1.00 0.00 C ATOM 53 CG PHE A 4 -2.054 -1.785 0.691 1.00 0.00 C ATOM 54 CD1 PHE A 4 -0.756 -1.604 1.136 1.00 0.00 C ATOM 55 CD2 PHE A 4 -2.863 -0.675 0.532 1.00 0.00 C ATOM 56 CE1 PHE A 4 -0.274 -0.343 1.413 1.00 0.00 C ATOM 57 CE2 PHE A 4 -2.380 0.588 0.809 1.00 0.00 C ATOM 58 CZ PHE A 4 -1.087 0.753 1.251 1.00 0.00 C ATOM 0 H PHE A 4 -2.882 -5.847 0.488 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.589 -3.876 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.966 -3.653 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.591 -3.175 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.113 -2.462 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.880 -0.797 0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.742 -0.216 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.018 1.449 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 4 -0.712 1.742 1.470 1.00 0.00 H new ATOM 68 N LYS A 5 -4.742 -4.461 2.567 1.00 0.00 N ATOM 69 CA LYS A 5 -5.872 -4.131 3.474 1.00 0.00 C ATOM 70 C LYS A 5 -6.162 -5.478 4.142 1.00 0.00 C ATOM 71 O LYS A 5 -5.596 -6.485 3.758 1.00 0.00 O ATOM 72 CB LYS A 5 -7.108 -3.705 2.700 1.00 0.00 C ATOM 73 CG LYS A 5 -6.863 -2.489 1.733 1.00 0.00 C ATOM 74 CD LYS A 5 -6.740 -1.152 2.531 1.00 0.00 C ATOM 75 CE LYS A 5 -6.959 0.054 1.565 1.00 0.00 C ATOM 76 NZ LYS A 5 -8.350 0.058 1.007 1.00 0.00 N ATOM 0 H LYS A 5 -4.903 -5.254 1.946 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.631 -3.314 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.471 -4.552 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.895 -3.443 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.954 -2.657 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.684 -2.416 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.477 -1.127 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.757 -1.084 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.776 0.987 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.238 0.005 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.471 0.880 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.509 -0.815 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.037 0.112 1.786 1.00 0.00 H new ATOM 90 N LEU A 6 -7.041 -5.461 5.098 1.00 0.00 N ATOM 91 CA LEU A 6 -7.403 -6.707 5.825 1.00 0.00 C ATOM 92 C LEU A 6 -8.737 -7.162 5.227 1.00 0.00 C ATOM 93 O LEU A 6 -9.292 -6.475 4.391 1.00 0.00 O ATOM 94 CB LEU A 6 -7.560 -6.360 7.306 1.00 0.00 C ATOM 95 CG LEU A 6 -6.246 -5.779 7.915 1.00 0.00 C ATOM 96 CD1 LEU A 6 -6.493 -5.431 9.402 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.083 -6.793 7.812 1.00 0.00 C ATOM 0 H LEU A 6 -7.533 -4.625 5.413 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.654 -7.494 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.365 -5.635 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.851 -7.253 7.858 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.969 -4.886 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.580 -5.024 9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.291 -4.692 9.475 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.782 -6.332 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.182 -6.358 8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.344 -7.702 8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.902 -7.034 6.765 1.00 0.00 H new ATOM 109 N PRO A 7 -9.242 -8.294 5.648 1.00 0.00 N ATOM 110 CA PRO A 7 -10.691 -8.600 5.514 1.00 0.00 C ATOM 111 C PRO A 7 -11.375 -7.584 6.440 1.00 0.00 C ATOM 112 O PRO A 7 -11.702 -7.928 7.560 1.00 0.00 O ATOM 113 CB PRO A 7 -10.819 -10.068 5.968 1.00 0.00 C ATOM 114 CG PRO A 7 -9.364 -10.621 5.811 1.00 0.00 C ATOM 115 CD PRO A 7 -8.492 -9.423 6.268 1.00 0.00 C ATOM 0 HA PRO A 7 -11.138 -8.515 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.168 -10.142 6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.528 -10.620 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.197 -11.503 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.149 -10.909 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.438 -9.339 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.468 -9.492 5.902 1.00 0.00 H new ATOM 123 N ASP A 8 -11.564 -6.391 5.947 1.00 0.00 N ATOM 124 CA ASP A 8 -12.208 -5.340 6.759 1.00 0.00 C ATOM 125 C ASP A 8 -13.434 -4.797 6.019 1.00 0.00 C ATOM 126 O ASP A 8 -14.530 -5.220 6.323 1.00 0.00 O ATOM 127 CB ASP A 8 -11.160 -4.292 6.965 1.00 0.00 C ATOM 128 CG ASP A 8 -11.647 -3.256 7.956 1.00 0.00 C ATOM 129 OD1 ASP A 8 -12.580 -2.577 7.563 1.00 0.00 O ATOM 130 OD2 ASP A 8 -11.058 -3.207 9.016 1.00 0.00 O ATOM 0 H ASP A 8 -11.294 -6.104 5.006 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.569 -5.708 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.242 -4.752 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.921 -3.814 6.015 1.00 0.00 H new ATOM 135 N ILE A 9 -13.240 -3.905 5.074 1.00 0.00 N ATOM 136 CA ILE A 9 -14.375 -3.299 4.285 1.00 0.00 C ATOM 137 C ILE A 9 -15.565 -2.963 5.219 1.00 0.00 C ATOM 138 O ILE A 9 -16.693 -2.915 4.762 1.00 0.00 O ATOM 139 CB ILE A 9 -14.914 -4.302 3.128 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.417 -5.662 3.691 1.00 0.00 C ATOM 141 CG2 ILE A 9 -13.870 -4.538 2.009 1.00 0.00 C ATOM 142 CD1 ILE A 9 -16.115 -6.491 2.589 1.00 0.00 C ATOM 0 H ILE A 9 -12.318 -3.560 4.806 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.983 -2.395 3.820 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.769 -3.790 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.577 -6.225 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.111 -5.486 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.284 -5.216 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.621 -3.587 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.969 -4.977 2.438 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.458 -7.437 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.969 -5.935 2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.411 -6.686 1.780 1.00 0.00 H new ATOM 154 N GLY A 10 -15.310 -2.727 6.476 1.00 0.00 N ATOM 155 CA GLY A 10 -16.405 -2.407 7.423 1.00 0.00 C ATOM 156 C GLY A 10 -16.197 -1.121 8.196 1.00 0.00 C ATOM 157 O GLY A 10 -16.889 -0.142 7.974 1.00 0.00 O ATOM 0 H GLY A 10 -14.377 -2.743 6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.341 -2.338 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.512 -3.230 8.130 1.00 0.00 H new ATOM 161 N GLU A 11 -15.244 -1.164 9.074 1.00 0.00 N ATOM 162 CA GLU A 11 -14.923 0.001 9.917 1.00 0.00 C ATOM 163 C GLU A 11 -14.472 1.272 9.181 1.00 0.00 C ATOM 164 O GLU A 11 -14.213 1.326 7.996 1.00 0.00 O ATOM 165 CB GLU A 11 -13.861 -0.524 10.909 1.00 0.00 C ATOM 166 CG GLU A 11 -14.504 -1.392 12.048 1.00 0.00 C ATOM 167 CD GLU A 11 -15.565 -2.359 11.512 1.00 0.00 C ATOM 168 OE1 GLU A 11 -16.691 -1.908 11.445 1.00 0.00 O ATOM 169 OE2 GLU A 11 -15.204 -3.473 11.196 1.00 0.00 O ATOM 0 H GLU A 11 -14.660 -1.983 9.244 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.830 0.361 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.124 -1.120 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.329 0.318 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.723 -1.958 12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.956 -0.735 12.791 1.00 0.00 H new ATOM 176 N GLY A 12 -14.402 2.270 10.018 1.00 0.00 N ATOM 177 CA GLY A 12 -14.006 3.676 9.709 1.00 0.00 C ATOM 178 C GLY A 12 -13.479 4.032 8.321 1.00 0.00 C ATOM 179 O GLY A 12 -13.987 4.946 7.699 1.00 0.00 O ATOM 0 H GLY A 12 -14.628 2.148 11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.875 4.307 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.241 3.963 10.430 1.00 0.00 H new ATOM 183 N ILE A 13 -12.484 3.320 7.873 1.00 0.00 N ATOM 184 CA ILE A 13 -11.905 3.619 6.532 1.00 0.00 C ATOM 185 C ILE A 13 -12.074 2.388 5.648 1.00 0.00 C ATOM 186 O ILE A 13 -11.521 1.343 5.914 1.00 0.00 O ATOM 187 CB ILE A 13 -10.435 3.996 6.728 1.00 0.00 C ATOM 188 CG1 ILE A 13 -10.254 5.169 7.755 1.00 0.00 C ATOM 189 CG2 ILE A 13 -9.758 4.386 5.387 1.00 0.00 C ATOM 190 CD1 ILE A 13 -10.960 6.462 7.272 1.00 0.00 C ATOM 0 H ILE A 13 -12.047 2.546 8.374 1.00 0.00 H new ATOM 0 HA ILE A 13 -12.410 4.452 6.042 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.951 3.105 7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.659 4.872 8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.192 5.366 7.900 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.715 4.647 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.807 3.544 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -10.276 5.241 4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.814 7.253 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.537 6.772 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.026 6.271 7.152 1.00 0.00 H new ATOM 202 N HIS A 14 -12.830 2.568 4.605 1.00 0.00 N ATOM 203 CA HIS A 14 -13.102 1.459 3.648 1.00 0.00 C ATOM 204 C HIS A 14 -12.173 1.496 2.446 1.00 0.00 C ATOM 205 O HIS A 14 -11.636 0.483 2.043 1.00 0.00 O ATOM 206 CB HIS A 14 -14.570 1.561 3.162 1.00 0.00 C ATOM 207 CG HIS A 14 -14.891 3.026 2.816 1.00 0.00 C ATOM 208 ND1 HIS A 14 -14.714 3.659 1.696 1.00 0.00 N ATOM 209 CD2 HIS A 14 -15.433 3.986 3.658 1.00 0.00 C ATOM 210 CE1 HIS A 14 -15.107 4.884 1.843 1.00 0.00 C ATOM 211 NE2 HIS A 14 -15.560 5.136 3.041 1.00 0.00 N ATOM 0 H HIS A 14 -13.280 3.453 4.369 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.929 0.518 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.721 0.928 2.288 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.247 1.201 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -15.713 3.810 4.686 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -15.064 5.622 1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -15.925 6.015 3.408 1.00 0.00 H new ATOM 219 N GLU A 15 -11.983 2.639 1.870 1.00 0.00 N ATOM 220 CA GLU A 15 -11.088 2.715 0.689 1.00 0.00 C ATOM 221 C GLU A 15 -9.771 3.394 0.987 1.00 0.00 C ATOM 222 O GLU A 15 -9.423 3.697 2.106 1.00 0.00 O ATOM 223 CB GLU A 15 -11.893 3.437 -0.382 1.00 0.00 C ATOM 224 CG GLU A 15 -13.002 2.459 -0.869 1.00 0.00 C ATOM 225 CD GLU A 15 -14.261 3.145 -1.342 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.431 4.291 -0.982 1.00 0.00 O ATOM 227 OE2 GLU A 15 -14.963 2.427 -2.018 1.00 0.00 O ATOM 0 H GLU A 15 -12.404 3.521 2.161 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.791 1.720 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.335 4.349 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.250 3.732 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.605 1.851 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.255 1.779 -0.056 1.00 0.00 H new ATOM 234 N GLY A 16 -9.075 3.572 -0.080 1.00 0.00 N ATOM 235 CA GLY A 16 -7.734 4.219 -0.083 1.00 0.00 C ATOM 236 C GLY A 16 -7.658 5.073 -1.341 1.00 0.00 C ATOM 237 O GLY A 16 -7.819 4.537 -2.422 1.00 0.00 O ATOM 0 H GLY A 16 -9.391 3.282 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.599 4.832 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.943 3.469 -0.077 1.00 0.00 H new ATOM 241 N GLU A 17 -7.422 6.338 -1.187 1.00 0.00 N ATOM 242 CA GLU A 17 -7.327 7.282 -2.338 1.00 0.00 C ATOM 243 C GLU A 17 -5.817 7.489 -2.504 1.00 0.00 C ATOM 244 O GLU A 17 -5.232 8.307 -1.815 1.00 0.00 O ATOM 245 CB GLU A 17 -8.100 8.519 -1.878 1.00 0.00 C ATOM 246 CG GLU A 17 -8.363 9.554 -2.981 1.00 0.00 C ATOM 247 CD GLU A 17 -9.333 10.634 -2.467 1.00 0.00 C ATOM 248 OE1 GLU A 17 -9.672 10.614 -1.292 1.00 0.00 O ATOM 249 OE2 GLU A 17 -9.684 11.433 -3.312 1.00 0.00 O ATOM 0 H GLU A 17 -7.285 6.778 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.741 6.973 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.056 8.200 -1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.545 8.999 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.425 10.014 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.783 9.064 -3.859 1.00 0.00 H new ATOM 256 N ILE A 18 -5.214 6.751 -3.394 1.00 0.00 N ATOM 257 CA ILE A 18 -3.766 6.849 -3.644 1.00 0.00 C ATOM 258 C ILE A 18 -3.567 7.967 -4.661 1.00 0.00 C ATOM 259 O ILE A 18 -4.064 7.926 -5.772 1.00 0.00 O ATOM 260 CB ILE A 18 -3.347 5.488 -4.157 1.00 0.00 C ATOM 261 CG1 ILE A 18 -3.802 4.394 -3.146 1.00 0.00 C ATOM 262 CG2 ILE A 18 -1.855 5.519 -4.270 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.701 3.388 -3.858 1.00 0.00 C ATOM 0 H ILE A 18 -5.692 6.062 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.163 7.092 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.799 5.258 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.933 3.888 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.337 4.852 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.498 4.557 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.559 6.305 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.420 5.717 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.020 2.622 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.576 3.901 -4.257 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.150 2.922 -4.675 1.00 0.00 H new ATOM 275 N VAL A 19 -2.816 8.913 -4.206 1.00 0.00 N ATOM 276 CA VAL A 19 -2.485 10.107 -5.010 1.00 0.00 C ATOM 277 C VAL A 19 -1.178 9.880 -5.773 1.00 0.00 C ATOM 278 O VAL A 19 -1.140 10.006 -6.976 1.00 0.00 O ATOM 279 CB VAL A 19 -2.352 11.291 -4.028 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.359 12.638 -4.774 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.443 11.229 -2.935 1.00 0.00 C ATOM 0 H VAL A 19 -2.402 8.908 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.260 10.313 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.387 11.209 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.264 13.452 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.523 12.671 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.295 12.745 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.327 12.074 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.428 11.270 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.345 10.299 -2.376 1.00 0.00 H new ATOM 291 N LYS A 20 -0.148 9.563 -5.035 1.00 0.00 N ATOM 292 CA LYS A 20 1.196 9.326 -5.657 1.00 0.00 C ATOM 293 C LYS A 20 1.893 8.083 -5.075 1.00 0.00 C ATOM 294 O LYS A 20 1.649 7.752 -3.922 1.00 0.00 O ATOM 295 CB LYS A 20 2.008 10.625 -5.387 1.00 0.00 C ATOM 296 CG LYS A 20 3.491 10.621 -5.919 1.00 0.00 C ATOM 297 CD LYS A 20 4.528 10.973 -4.779 1.00 0.00 C ATOM 298 CE LYS A 20 4.701 12.510 -4.519 1.00 0.00 C ATOM 299 NZ LYS A 20 3.375 13.191 -4.444 1.00 0.00 N ATOM 0 H LYS A 20 -0.176 9.456 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 20 1.109 9.121 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.480 11.464 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.027 10.804 -4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.725 9.640 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.587 11.341 -6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.210 10.493 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.497 10.549 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.247 12.666 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.297 12.953 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.485 14.115 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.000 13.328 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.714 12.605 -3.895 1.00 0.00 H new ATOM 313 N TRP A 21 2.710 7.452 -5.875 1.00 0.00 N ATOM 314 CA TRP A 21 3.480 6.249 -5.445 1.00 0.00 C ATOM 315 C TRP A 21 4.966 6.608 -5.453 1.00 0.00 C ATOM 316 O TRP A 21 5.381 7.672 -5.867 1.00 0.00 O ATOM 317 CB TRP A 21 3.319 5.062 -6.399 1.00 0.00 C ATOM 318 CG TRP A 21 2.320 4.074 -5.823 1.00 0.00 C ATOM 319 CD1 TRP A 21 1.093 3.896 -6.364 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.489 3.262 -4.744 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.573 2.978 -5.579 1.00 0.00 N ATOM 322 CE2 TRP A 21 1.324 2.533 -4.589 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.531 3.044 -3.837 1.00 0.00 C ATOM 324 CZ2 TRP A 21 1.194 1.618 -3.573 1.00 0.00 C ATOM 325 CZ3 TRP A 21 3.395 2.130 -2.820 1.00 0.00 C ATOM 326 CH2 TRP A 21 2.231 1.417 -2.689 1.00 0.00 C ATOM 0 H TRP A 21 2.880 7.731 -6.841 1.00 0.00 H new ATOM 0 HA TRP A 21 3.104 5.964 -4.462 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.979 5.410 -7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.281 4.573 -6.552 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.653 4.383 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.372 2.624 -5.729 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.452 3.600 -3.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.278 1.056 -3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.205 1.973 -2.123 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.127 0.696 -1.891 1.00 0.00 H new ATOM 337 N PHE A 22 5.711 5.648 -4.982 1.00 0.00 N ATOM 338 CA PHE A 22 7.201 5.740 -4.868 1.00 0.00 C ATOM 339 C PHE A 22 7.922 4.553 -5.513 1.00 0.00 C ATOM 340 O PHE A 22 9.116 4.595 -5.740 1.00 0.00 O ATOM 341 CB PHE A 22 7.604 5.779 -3.391 1.00 0.00 C ATOM 342 CG PHE A 22 6.991 6.998 -2.681 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.628 7.156 -2.486 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.840 7.968 -2.225 1.00 0.00 C ATOM 345 CE1 PHE A 22 5.126 8.273 -1.844 1.00 0.00 C ATOM 346 CE2 PHE A 22 7.359 9.074 -1.582 1.00 0.00 C ATOM 347 CZ PHE A 22 5.992 9.239 -1.387 1.00 0.00 C ATOM 0 H PHE A 22 5.331 4.760 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 22 7.494 6.650 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.276 4.864 -2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.690 5.814 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.948 6.396 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.904 7.859 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.061 8.386 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.046 9.826 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.614 10.116 -0.882 1.00 0.00 H new ATOM 357 N VAL A 23 7.207 3.514 -5.818 1.00 0.00 N ATOM 358 CA VAL A 23 7.827 2.301 -6.434 1.00 0.00 C ATOM 359 C VAL A 23 7.639 2.276 -7.938 1.00 0.00 C ATOM 360 O VAL A 23 7.215 3.262 -8.499 1.00 0.00 O ATOM 361 CB VAL A 23 7.177 1.103 -5.744 1.00 0.00 C ATOM 362 CG1 VAL A 23 7.390 1.362 -4.251 1.00 0.00 C ATOM 363 CG2 VAL A 23 5.666 0.941 -6.057 1.00 0.00 C ATOM 0 H VAL A 23 6.201 3.446 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 23 8.907 2.289 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 23 7.625 0.174 -6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.953 0.547 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.458 1.423 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.912 2.301 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.277 0.069 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.129 1.832 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.529 0.808 -7.130 1.00 0.00 H new ATOM 373 N LYS A 24 8.023 1.188 -8.529 1.00 0.00 N ATOM 374 CA LYS A 24 7.878 1.014 -10.015 1.00 0.00 C ATOM 375 C LYS A 24 7.072 -0.196 -10.563 1.00 0.00 C ATOM 376 O LYS A 24 6.521 0.014 -11.623 1.00 0.00 O ATOM 377 CB LYS A 24 9.277 0.958 -10.720 1.00 0.00 C ATOM 378 CG LYS A 24 10.081 2.245 -10.411 1.00 0.00 C ATOM 379 CD LYS A 24 10.855 2.069 -9.080 1.00 0.00 C ATOM 380 CE LYS A 24 11.131 3.459 -8.469 1.00 0.00 C ATOM 381 NZ LYS A 24 9.853 4.235 -8.343 1.00 0.00 N ATOM 0 H LYS A 24 8.440 0.391 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 24 7.284 1.897 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.830 0.083 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.146 0.851 -11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.777 2.454 -11.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.407 3.099 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.275 1.461 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.793 1.543 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.595 3.347 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.836 4.006 -9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.940 5.134 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.069 3.681 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.662 4.429 -7.339 1.00 0.00 H new ATOM 395 N PRO A 25 6.935 -1.390 -9.998 1.00 0.00 N ATOM 396 CA PRO A 25 7.245 -1.889 -8.620 1.00 0.00 C ATOM 397 C PRO A 25 8.470 -1.464 -7.857 1.00 0.00 C ATOM 398 O PRO A 25 9.435 -0.960 -8.388 1.00 0.00 O ATOM 399 CB PRO A 25 7.190 -3.442 -8.753 1.00 0.00 C ATOM 400 CG PRO A 25 7.218 -3.705 -10.279 1.00 0.00 C ATOM 401 CD PRO A 25 6.391 -2.529 -10.803 1.00 0.00 C ATOM 0 HA PRO A 25 6.510 -1.401 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.037 -3.913 -8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.286 -3.847 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.233 -3.704 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.775 -4.667 -10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.530 -2.376 -11.873 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.323 -2.674 -10.637 1.00 0.00 H new ATOM 409 N GLY A 26 8.412 -1.699 -6.582 1.00 0.00 N ATOM 410 CA GLY A 26 9.560 -1.314 -5.705 1.00 0.00 C ATOM 411 C GLY A 26 10.430 -2.517 -5.536 1.00 0.00 C ATOM 412 O GLY A 26 11.027 -2.687 -4.497 1.00 0.00 O ATOM 0 H GLY A 26 7.626 -2.139 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.124 -0.495 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.201 -0.964 -4.737 1.00 0.00 H new ATOM 416 N ASP A 27 10.401 -3.256 -6.614 1.00 0.00 N ATOM 417 CA ASP A 27 11.144 -4.515 -6.818 1.00 0.00 C ATOM 418 C ASP A 27 11.721 -4.985 -5.497 1.00 0.00 C ATOM 419 O ASP A 27 10.932 -5.537 -4.747 1.00 0.00 O ATOM 420 CB ASP A 27 12.134 -4.121 -7.897 1.00 0.00 C ATOM 421 CG ASP A 27 13.249 -5.152 -7.995 1.00 0.00 C ATOM 422 OD1 ASP A 27 12.874 -6.306 -8.091 1.00 0.00 O ATOM 423 OD2 ASP A 27 14.379 -4.708 -7.961 1.00 0.00 O ATOM 0 H ASP A 27 9.837 -3.001 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 27 10.570 -5.384 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.622 -4.037 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.555 -3.141 -7.673 1.00 0.00 H new ATOM 428 N GLU A 28 12.972 -4.784 -5.220 1.00 0.00 N ATOM 429 CA GLU A 28 13.505 -5.242 -3.913 1.00 0.00 C ATOM 430 C GLU A 28 13.615 -3.944 -3.074 1.00 0.00 C ATOM 431 O GLU A 28 14.172 -2.955 -3.516 1.00 0.00 O ATOM 432 CB GLU A 28 14.871 -5.901 -4.158 1.00 0.00 C ATOM 433 CG GLU A 28 14.792 -7.205 -5.058 1.00 0.00 C ATOM 434 CD GLU A 28 15.610 -8.302 -4.367 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.765 -8.034 -4.099 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.025 -9.348 -4.136 1.00 0.00 O ATOM 0 H GLU A 28 13.645 -4.327 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 28 12.887 -5.979 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.533 -5.179 -4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.319 -6.158 -3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.756 -7.521 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.186 -7.006 -6.055 1.00 0.00 H new ATOM 443 N VAL A 29 13.092 -3.978 -1.877 1.00 0.00 N ATOM 444 CA VAL A 29 13.115 -2.788 -0.971 1.00 0.00 C ATOM 445 C VAL A 29 13.847 -3.057 0.350 1.00 0.00 C ATOM 446 O VAL A 29 14.302 -4.149 0.631 1.00 0.00 O ATOM 447 CB VAL A 29 11.600 -2.396 -0.793 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.785 -3.598 -0.234 1.00 0.00 C ATOM 449 CG2 VAL A 29 11.327 -1.131 0.076 1.00 0.00 C ATOM 0 H VAL A 29 12.639 -4.800 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 29 13.687 -1.962 -1.393 1.00 0.00 H new ATOM 0 HB VAL A 29 11.271 -2.134 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.741 -3.307 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.853 -4.437 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.189 -3.893 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.253 -0.953 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.722 -1.287 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.815 -0.267 -0.376 1.00 0.00 H new ATOM 459 N ASN A 30 13.905 -2.012 1.119 1.00 0.00 N ATOM 460 CA ASN A 30 14.553 -1.982 2.453 1.00 0.00 C ATOM 461 C ASN A 30 13.465 -2.225 3.495 1.00 0.00 C ATOM 462 O ASN A 30 12.369 -2.625 3.157 1.00 0.00 O ATOM 463 CB ASN A 30 15.193 -0.608 2.595 1.00 0.00 C ATOM 464 CG ASN A 30 14.117 0.477 2.613 1.00 0.00 C ATOM 465 OD1 ASN A 30 12.991 0.179 2.939 1.00 0.00 O ATOM 466 ND2 ASN A 30 14.376 1.697 2.277 1.00 0.00 N ATOM 0 H ASN A 30 13.499 -1.115 0.853 1.00 0.00 H new ATOM 0 HA ASN A 30 15.322 -2.744 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.778 -0.565 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.882 -0.433 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.635 2.397 2.288 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.322 1.960 2.000 1.00 0.00 H new ATOM 473 N GLU A 31 13.807 -1.961 4.713 1.00 0.00 N ATOM 474 CA GLU A 31 12.890 -2.143 5.875 1.00 0.00 C ATOM 475 C GLU A 31 12.932 -0.732 6.488 1.00 0.00 C ATOM 476 O GLU A 31 13.144 -0.545 7.674 1.00 0.00 O ATOM 477 CB GLU A 31 13.569 -3.234 6.717 1.00 0.00 C ATOM 478 CG GLU A 31 12.658 -4.033 7.691 1.00 0.00 C ATOM 479 CD GLU A 31 12.933 -5.540 7.569 1.00 0.00 C ATOM 480 OE1 GLU A 31 14.078 -5.887 7.792 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.019 -6.285 7.249 1.00 0.00 O ATOM 0 H GLU A 31 14.729 -1.609 4.970 1.00 0.00 H new ATOM 0 HA GLU A 31 11.858 -2.456 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.044 -3.942 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.364 -2.769 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.836 -3.706 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.611 -3.829 7.469 1.00 0.00 H new ATOM 488 N ASP A 32 12.703 0.201 5.611 1.00 0.00 N ATOM 489 CA ASP A 32 12.708 1.645 5.929 1.00 0.00 C ATOM 490 C ASP A 32 12.308 2.502 4.721 1.00 0.00 C ATOM 491 O ASP A 32 12.719 3.646 4.627 1.00 0.00 O ATOM 492 CB ASP A 32 14.162 2.040 6.403 1.00 0.00 C ATOM 493 CG ASP A 32 15.209 1.437 5.443 1.00 0.00 C ATOM 494 OD1 ASP A 32 15.464 0.246 5.567 1.00 0.00 O ATOM 495 OD2 ASP A 32 15.725 2.155 4.609 1.00 0.00 O ATOM 0 H ASP A 32 12.501 0.002 4.631 1.00 0.00 H new ATOM 0 HA ASP A 32 11.975 1.833 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.263 3.125 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.334 1.678 7.417 1.00 0.00 H new ATOM 500 N ASP A 33 11.514 1.986 3.824 1.00 0.00 N ATOM 501 CA ASP A 33 11.119 2.784 2.633 1.00 0.00 C ATOM 502 C ASP A 33 9.785 3.450 2.838 1.00 0.00 C ATOM 503 O ASP A 33 9.184 3.380 3.899 1.00 0.00 O ATOM 504 CB ASP A 33 11.007 1.880 1.396 1.00 0.00 C ATOM 505 CG ASP A 33 11.533 2.641 0.196 1.00 0.00 C ATOM 506 OD1 ASP A 33 12.743 2.752 0.125 1.00 0.00 O ATOM 507 OD2 ASP A 33 10.702 3.073 -0.578 1.00 0.00 O ATOM 0 H ASP A 33 11.122 1.045 3.866 1.00 0.00 H new ATOM 0 HA ASP A 33 11.889 3.542 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.578 0.963 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.970 1.587 1.234 1.00 0.00 H new ATOM 512 N VAL A 34 9.330 4.108 1.810 1.00 0.00 N ATOM 513 CA VAL A 34 8.074 4.789 1.879 1.00 0.00 C ATOM 514 C VAL A 34 6.843 3.965 1.830 1.00 0.00 C ATOM 515 O VAL A 34 6.759 2.754 1.865 1.00 0.00 O ATOM 516 CB VAL A 34 8.116 5.873 0.726 1.00 0.00 C ATOM 517 CG1 VAL A 34 8.164 7.205 1.363 1.00 0.00 C ATOM 518 CG2 VAL A 34 9.414 5.918 -0.110 1.00 0.00 C ATOM 0 H VAL A 34 9.812 4.186 0.915 1.00 0.00 H new ATOM 0 HA VAL A 34 7.983 5.217 2.877 1.00 0.00 H new ATOM 0 HB VAL A 34 7.259 5.624 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.194 7.976 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.278 7.344 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.056 7.279 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.331 6.696 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.260 6.136 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.568 4.954 -0.594 1.00 0.00 H new ATOM 528 N LEU A 35 5.926 4.848 1.748 1.00 0.00 N ATOM 529 CA LEU A 35 4.529 4.607 1.687 1.00 0.00 C ATOM 530 C LEU A 35 4.099 4.871 0.267 1.00 0.00 C ATOM 531 O LEU A 35 4.819 4.899 -0.713 1.00 0.00 O ATOM 532 CB LEU A 35 3.892 5.596 2.764 1.00 0.00 C ATOM 533 CG LEU A 35 4.538 7.032 2.812 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.749 7.061 3.789 1.00 0.00 C ATOM 535 CD2 LEU A 35 4.797 7.688 1.421 1.00 0.00 C ATOM 0 H LEU A 35 6.146 5.844 1.719 1.00 0.00 H new ATOM 0 HA LEU A 35 4.213 3.591 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.827 5.700 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.981 5.141 3.750 1.00 0.00 H new ATOM 0 HG LEU A 35 3.783 7.699 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.179 8.062 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.414 6.793 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.503 6.348 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.243 8.673 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.476 7.061 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.853 7.790 0.885 1.00 0.00 H new ATOM 547 N CYS A 36 2.842 5.060 0.332 1.00 0.00 N ATOM 548 CA CYS A 36 1.927 5.372 -0.765 1.00 0.00 C ATOM 549 C CYS A 36 1.475 6.705 -0.159 1.00 0.00 C ATOM 550 O CYS A 36 1.537 6.896 1.048 1.00 0.00 O ATOM 551 CB CYS A 36 0.702 4.481 -0.814 1.00 0.00 C ATOM 552 SG CYS A 36 0.914 2.699 -0.589 1.00 0.00 S ATOM 0 H CYS A 36 2.350 5.002 1.224 1.00 0.00 H new ATOM 0 HA CYS A 36 2.356 5.310 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.008 4.830 -0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.218 4.637 -1.778 1.00 0.00 H new ATOM 0 HG CYS A 36 1.352 2.171 -1.693 1.00 0.00 H new ATOM 558 N GLU A 37 1.008 7.568 -0.988 1.00 0.00 N ATOM 559 CA GLU A 37 0.552 8.895 -0.475 1.00 0.00 C ATOM 560 C GLU A 37 -0.950 8.699 -0.634 1.00 0.00 C ATOM 561 O GLU A 37 -1.421 8.647 -1.761 1.00 0.00 O ATOM 562 CB GLU A 37 1.159 9.992 -1.408 1.00 0.00 C ATOM 563 CG GLU A 37 1.693 11.216 -0.613 1.00 0.00 C ATOM 564 CD GLU A 37 2.221 12.259 -1.601 1.00 0.00 C ATOM 565 OE1 GLU A 37 3.045 11.844 -2.381 1.00 0.00 O ATOM 566 OE2 GLU A 37 1.852 13.414 -1.628 1.00 0.00 O ATOM 0 H GLU A 37 0.916 7.429 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 37 0.834 9.199 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.971 9.559 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.399 10.325 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.898 11.644 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.486 10.906 0.067 1.00 0.00 H new ATOM 573 N VAL A 38 -1.659 8.574 0.455 1.00 0.00 N ATOM 574 CA VAL A 38 -3.128 8.376 0.365 1.00 0.00 C ATOM 575 C VAL A 38 -3.785 9.513 1.122 1.00 0.00 C ATOM 576 O VAL A 38 -3.191 10.087 2.011 1.00 0.00 O ATOM 577 CB VAL A 38 -3.450 6.986 0.992 1.00 0.00 C ATOM 578 CG1 VAL A 38 -4.951 6.641 0.914 1.00 0.00 C ATOM 579 CG2 VAL A 38 -2.636 5.890 0.252 1.00 0.00 C ATOM 0 H VAL A 38 -1.281 8.601 1.402 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.500 8.385 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.175 7.029 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.123 5.663 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.526 7.395 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.266 6.621 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.858 4.916 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.907 5.886 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.571 6.098 0.352 1.00 0.00 H new ATOM 589 N GLN A 39 -4.993 9.806 0.752 1.00 0.00 N ATOM 590 CA GLN A 39 -5.754 10.896 1.412 1.00 0.00 C ATOM 591 C GLN A 39 -6.893 10.151 2.077 1.00 0.00 C ATOM 592 O GLN A 39 -7.339 9.135 1.571 1.00 0.00 O ATOM 593 CB GLN A 39 -6.223 11.868 0.313 1.00 0.00 C ATOM 594 CG GLN A 39 -7.086 13.054 0.853 1.00 0.00 C ATOM 595 CD GLN A 39 -6.513 14.371 0.310 1.00 0.00 C ATOM 596 OE1 GLN A 39 -6.180 14.507 -0.848 1.00 0.00 O ATOM 597 NE2 GLN A 39 -6.370 15.387 1.106 1.00 0.00 N ATOM 0 H GLN A 39 -5.496 9.327 0.005 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.205 11.497 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.350 12.270 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.803 11.315 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.124 12.937 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.079 13.060 1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.640 15.309 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.988 16.263 0.751 1.00 0.00 H new ATOM 606 N ASN A 40 -7.308 10.660 3.197 1.00 0.00 N ATOM 607 CA ASN A 40 -8.421 10.048 3.966 1.00 0.00 C ATOM 608 C ASN A 40 -9.279 11.224 4.396 1.00 0.00 C ATOM 609 O ASN A 40 -8.999 12.343 4.016 1.00 0.00 O ATOM 610 CB ASN A 40 -7.887 9.260 5.199 1.00 0.00 C ATOM 611 CG ASN A 40 -7.211 10.148 6.239 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.267 10.854 5.962 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.642 10.149 7.457 1.00 0.00 N ATOM 0 H ASN A 40 -6.912 11.498 3.623 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.981 9.324 3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.715 8.729 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.177 8.506 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.189 10.735 8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.436 9.564 7.718 1.00 0.00 H new ATOM 620 N ASP A 41 -10.283 10.900 5.166 1.00 0.00 N ATOM 621 CA ASP A 41 -11.280 11.882 5.713 1.00 0.00 C ATOM 622 C ASP A 41 -10.975 13.361 5.449 1.00 0.00 C ATOM 623 O ASP A 41 -11.705 14.008 4.720 1.00 0.00 O ATOM 624 CB ASP A 41 -11.460 11.635 7.274 1.00 0.00 C ATOM 625 CG ASP A 41 -10.411 12.218 8.230 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.238 12.070 7.967 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.833 12.802 9.211 1.00 0.00 O ATOM 0 H ASP A 41 -10.465 9.939 5.456 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.203 11.690 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.432 12.035 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.497 10.558 7.438 1.00 0.00 H new ATOM 632 N LYS A 42 -9.940 13.865 6.038 1.00 0.00 N ATOM 633 CA LYS A 42 -9.525 15.273 5.871 1.00 0.00 C ATOM 634 C LYS A 42 -7.994 15.356 5.725 1.00 0.00 C ATOM 635 O LYS A 42 -7.487 16.327 5.194 1.00 0.00 O ATOM 636 CB LYS A 42 -9.978 16.070 7.110 1.00 0.00 C ATOM 637 CG LYS A 42 -11.532 15.943 7.286 1.00 0.00 C ATOM 638 CD LYS A 42 -11.976 16.494 8.643 1.00 0.00 C ATOM 639 CE LYS A 42 -11.653 15.407 9.716 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.869 15.877 11.124 1.00 0.00 N ATOM 0 H LYS A 42 -9.335 13.329 6.660 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.982 15.690 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.471 15.696 7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.700 17.118 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.038 16.484 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.827 14.897 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.454 17.424 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.042 16.721 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.275 14.531 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.616 15.091 9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.637 15.109 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.256 16.695 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.864 16.153 11.249 1.00 0.00 H new ATOM 654 N ALA A 43 -7.294 14.358 6.196 1.00 0.00 N ATOM 655 CA ALA A 43 -5.805 14.351 6.119 1.00 0.00 C ATOM 656 C ALA A 43 -5.234 13.456 5.015 1.00 0.00 C ATOM 657 O ALA A 43 -5.936 12.986 4.141 1.00 0.00 O ATOM 658 CB ALA A 43 -5.321 13.906 7.503 1.00 0.00 C ATOM 0 H ALA A 43 -7.700 13.533 6.638 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.450 15.346 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.231 13.879 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.676 14.610 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.711 12.912 7.723 1.00 0.00 H new ATOM 664 N VAL A 44 -3.945 13.269 5.101 1.00 0.00 N ATOM 665 CA VAL A 44 -3.194 12.435 4.132 1.00 0.00 C ATOM 666 C VAL A 44 -2.504 11.391 5.024 1.00 0.00 C ATOM 667 O VAL A 44 -1.945 11.777 6.034 1.00 0.00 O ATOM 668 CB VAL A 44 -2.162 13.334 3.415 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.436 12.576 2.272 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.841 14.614 2.863 1.00 0.00 C ATOM 0 H VAL A 44 -3.365 13.678 5.833 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.806 11.969 3.360 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.413 13.621 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.719 13.242 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.912 11.713 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.167 12.240 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.097 15.233 2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.619 14.335 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.285 15.174 3.686 1.00 0.00 H new ATOM 680 N VAL A 45 -2.556 10.141 4.662 1.00 0.00 N ATOM 681 CA VAL A 45 -1.904 9.081 5.471 1.00 0.00 C ATOM 682 C VAL A 45 -0.754 8.500 4.685 1.00 0.00 C ATOM 683 O VAL A 45 -0.726 8.502 3.466 1.00 0.00 O ATOM 684 CB VAL A 45 -2.926 7.976 5.786 1.00 0.00 C ATOM 685 CG1 VAL A 45 -2.384 6.931 6.799 1.00 0.00 C ATOM 686 CG2 VAL A 45 -4.081 8.700 6.388 1.00 0.00 C ATOM 0 H VAL A 45 -3.032 9.805 3.824 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.533 9.503 6.405 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.178 7.414 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.147 6.175 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.493 6.455 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.131 7.429 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.864 7.986 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.755 9.221 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.471 9.423 5.671 1.00 0.00 H new ATOM 696 N GLU A 46 0.145 8.011 5.477 1.00 0.00 N ATOM 697 CA GLU A 46 1.388 7.373 4.992 1.00 0.00 C ATOM 698 C GLU A 46 1.414 5.912 5.486 1.00 0.00 C ATOM 699 O GLU A 46 1.233 5.651 6.660 1.00 0.00 O ATOM 700 CB GLU A 46 2.549 8.192 5.559 1.00 0.00 C ATOM 701 CG GLU A 46 2.561 8.305 7.098 1.00 0.00 C ATOM 702 CD GLU A 46 3.880 8.998 7.443 1.00 0.00 C ATOM 703 OE1 GLU A 46 3.947 10.176 7.139 1.00 0.00 O ATOM 704 OE2 GLU A 46 4.731 8.304 7.971 1.00 0.00 O ATOM 0 H GLU A 46 0.063 8.029 6.494 1.00 0.00 H new ATOM 0 HA GLU A 46 1.457 7.352 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.487 7.743 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.511 9.195 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.708 8.882 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.500 7.322 7.565 1.00 0.00 H new ATOM 711 N ILE A 47 1.615 4.981 4.602 1.00 0.00 N ATOM 712 CA ILE A 47 1.668 3.562 4.950 1.00 0.00 C ATOM 713 C ILE A 47 3.137 3.196 4.553 1.00 0.00 C ATOM 714 O ILE A 47 3.292 2.652 3.483 1.00 0.00 O ATOM 715 CB ILE A 47 0.626 2.799 4.078 1.00 0.00 C ATOM 716 CG1 ILE A 47 -0.865 3.223 4.260 1.00 0.00 C ATOM 717 CG2 ILE A 47 0.735 1.354 4.434 1.00 0.00 C ATOM 718 CD1 ILE A 47 -1.099 4.664 3.799 1.00 0.00 C ATOM 0 H ILE A 47 1.750 5.169 3.609 1.00 0.00 H new ATOM 0 HA ILE A 47 1.437 3.318 5.987 1.00 0.00 H new ATOM 0 HB ILE A 47 0.868 3.034 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.508 2.550 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.147 3.125 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.020 0.779 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.745 1.003 4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.519 1.223 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.148 4.925 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.475 5.339 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.841 4.755 2.744 1.00 0.00 H new ATOM 730 N PRO A 48 4.157 3.490 5.337 1.00 0.00 N ATOM 731 CA PRO A 48 5.594 3.158 5.000 1.00 0.00 C ATOM 732 C PRO A 48 5.714 1.627 4.902 1.00 0.00 C ATOM 733 O PRO A 48 4.746 0.893 4.852 1.00 0.00 O ATOM 734 CB PRO A 48 6.394 3.782 6.150 1.00 0.00 C ATOM 735 CG PRO A 48 5.408 3.649 7.313 1.00 0.00 C ATOM 736 CD PRO A 48 4.069 4.155 6.670 1.00 0.00 C ATOM 0 HA PRO A 48 5.961 3.544 4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.326 3.249 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.656 4.821 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.328 2.620 7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.704 4.256 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.191 3.842 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.028 5.241 6.592 1.00 0.00 H new ATOM 744 N SER A 49 6.930 1.207 4.903 1.00 0.00 N ATOM 745 CA SER A 49 7.245 -0.249 4.806 1.00 0.00 C ATOM 746 C SER A 49 7.545 -0.869 6.195 1.00 0.00 C ATOM 747 O SER A 49 8.595 -0.600 6.740 1.00 0.00 O ATOM 748 CB SER A 49 8.459 -0.394 3.871 1.00 0.00 C ATOM 749 OG SER A 49 9.432 0.470 4.451 1.00 0.00 O ATOM 0 H SER A 49 7.746 1.815 4.968 1.00 0.00 H new ATOM 0 HA SER A 49 6.383 -0.787 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.812 -1.424 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.217 -0.098 2.850 1.00 0.00 H new ATOM 0 HG SER A 49 9.453 0.334 5.421 1.00 0.00 H new ATOM 755 N PRO A 50 6.663 -1.658 6.763 1.00 0.00 N ATOM 756 CA PRO A 50 7.008 -2.517 7.938 1.00 0.00 C ATOM 757 C PRO A 50 8.202 -3.460 7.724 1.00 0.00 C ATOM 758 O PRO A 50 9.022 -3.576 8.603 1.00 0.00 O ATOM 759 CB PRO A 50 5.719 -3.272 8.251 1.00 0.00 C ATOM 760 CG PRO A 50 4.652 -2.256 7.744 1.00 0.00 C ATOM 761 CD PRO A 50 5.235 -1.798 6.386 1.00 0.00 C ATOM 0 HA PRO A 50 7.352 -1.901 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.662 -4.226 7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.613 -3.485 9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.673 -2.721 7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.528 -1.421 8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.081 -2.533 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.800 -0.861 6.039 1.00 0.00 H new ATOM 769 N VAL A 51 8.249 -4.114 6.595 1.00 0.00 N ATOM 770 CA VAL A 51 9.370 -5.043 6.317 1.00 0.00 C ATOM 771 C VAL A 51 9.924 -4.780 4.937 1.00 0.00 C ATOM 772 O VAL A 51 9.353 -4.026 4.165 1.00 0.00 O ATOM 773 CB VAL A 51 8.838 -6.506 6.478 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.304 -6.608 6.458 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.370 -7.484 5.504 1.00 0.00 C ATOM 0 H VAL A 51 7.553 -4.041 5.853 1.00 0.00 H new ATOM 0 HA VAL A 51 10.191 -4.892 7.018 1.00 0.00 H new ATOM 0 HB VAL A 51 9.218 -6.770 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.007 -7.650 6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.889 -6.019 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.926 -6.227 5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.939 -8.466 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.109 -7.170 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.455 -7.538 5.598 1.00 0.00 H new ATOM 785 N LYS A 52 11.013 -5.448 4.722 1.00 0.00 N ATOM 786 CA LYS A 52 11.764 -5.390 3.450 1.00 0.00 C ATOM 787 C LYS A 52 11.500 -6.663 2.710 1.00 0.00 C ATOM 788 O LYS A 52 11.010 -7.642 3.243 1.00 0.00 O ATOM 789 CB LYS A 52 13.294 -5.325 3.662 1.00 0.00 C ATOM 790 CG LYS A 52 14.034 -6.716 3.828 1.00 0.00 C ATOM 791 CD LYS A 52 13.530 -7.447 5.073 1.00 0.00 C ATOM 792 CE LYS A 52 13.807 -8.915 5.030 1.00 0.00 C ATOM 793 NZ LYS A 52 12.932 -9.489 3.988 1.00 0.00 N ATOM 0 H LYS A 52 11.434 -6.065 5.417 1.00 0.00 H new ATOM 0 HA LYS A 52 11.442 -4.494 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.736 -4.800 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.492 -4.723 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.865 -7.332 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.109 -6.555 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.001 -7.018 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.457 -7.286 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.856 -9.103 4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.606 -9.374 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.505 -10.370 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.180 -8.810 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.493 -9.692 3.137 1.00 0.00 H new ATOM 807 N GLY A 53 11.893 -6.634 1.487 1.00 0.00 N ATOM 808 CA GLY A 53 11.700 -7.821 0.637 1.00 0.00 C ATOM 809 C GLY A 53 11.383 -7.350 -0.743 1.00 0.00 C ATOM 810 O GLY A 53 12.171 -6.615 -1.306 1.00 0.00 O ATOM 0 H GLY A 53 12.342 -5.838 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.599 -8.437 0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.891 -8.440 1.024 1.00 0.00 H new ATOM 814 N LYS A 54 10.260 -7.745 -1.249 1.00 0.00 N ATOM 815 CA LYS A 54 9.854 -7.355 -2.626 1.00 0.00 C ATOM 816 C LYS A 54 8.609 -6.533 -2.683 1.00 0.00 C ATOM 817 O LYS A 54 7.854 -6.454 -1.738 1.00 0.00 O ATOM 818 CB LYS A 54 9.652 -8.642 -3.368 1.00 0.00 C ATOM 819 CG LYS A 54 9.923 -8.705 -4.888 1.00 0.00 C ATOM 820 CD LYS A 54 11.418 -8.533 -5.128 1.00 0.00 C ATOM 821 CE LYS A 54 12.297 -9.511 -4.278 1.00 0.00 C ATOM 822 NZ LYS A 54 11.606 -10.722 -3.685 1.00 0.00 N ATOM 0 H LYS A 54 9.588 -8.335 -0.759 1.00 0.00 H new ATOM 0 HA LYS A 54 10.627 -6.722 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.284 -9.393 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.618 -8.950 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.583 -9.658 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.366 -7.923 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.630 -8.691 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.701 -7.506 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.116 -9.862 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.743 -8.942 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.284 -10.501 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.788 -10.978 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.272 -11.520 -3.652 1.00 0.00 H new ATOM 836 N VAL A 55 8.436 -5.978 -3.841 1.00 0.00 N ATOM 837 CA VAL A 55 7.268 -5.131 -4.126 1.00 0.00 C ATOM 838 C VAL A 55 6.808 -5.769 -5.424 1.00 0.00 C ATOM 839 O VAL A 55 6.742 -5.148 -6.463 1.00 0.00 O ATOM 840 CB VAL A 55 7.714 -3.710 -4.296 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.405 -2.930 -4.402 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.393 -3.364 -2.976 1.00 0.00 C ATOM 0 H VAL A 55 9.081 -6.083 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 55 6.491 -5.083 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 55 8.373 -3.515 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.623 -1.870 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.836 -3.289 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.821 -3.074 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.753 -2.336 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.678 -3.471 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.234 -4.037 -2.812 1.00 0.00 H new ATOM 852 N LEU A 56 6.526 -7.029 -5.254 1.00 0.00 N ATOM 853 CA LEU A 56 6.049 -7.930 -6.347 1.00 0.00 C ATOM 854 C LEU A 56 5.263 -7.238 -7.457 1.00 0.00 C ATOM 855 O LEU A 56 5.777 -6.993 -8.531 1.00 0.00 O ATOM 856 CB LEU A 56 5.175 -9.037 -5.718 1.00 0.00 C ATOM 857 CG LEU A 56 6.038 -9.989 -4.842 1.00 0.00 C ATOM 858 CD1 LEU A 56 5.124 -10.679 -3.809 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.737 -11.041 -5.744 1.00 0.00 C ATOM 0 H LEU A 56 6.611 -7.498 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 56 6.942 -8.328 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.391 -8.586 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.680 -9.607 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 56 6.808 -9.423 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.718 -11.350 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.652 -9.925 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.355 -11.251 -4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.341 -11.706 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.984 -11.623 -6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.378 -10.534 -6.465 1.00 0.00 H new ATOM 871 N GLU A 57 4.037 -6.942 -7.145 1.00 0.00 N ATOM 872 CA GLU A 57 3.146 -6.280 -8.127 1.00 0.00 C ATOM 873 C GLU A 57 2.222 -5.288 -7.450 1.00 0.00 C ATOM 874 O GLU A 57 2.091 -5.270 -6.237 1.00 0.00 O ATOM 875 CB GLU A 57 2.338 -7.378 -8.828 1.00 0.00 C ATOM 876 CG GLU A 57 1.702 -8.311 -7.766 1.00 0.00 C ATOM 877 CD GLU A 57 0.892 -9.366 -8.505 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.544 -10.152 -9.168 1.00 0.00 O ATOM 879 OE2 GLU A 57 -0.313 -9.308 -8.357 1.00 0.00 O ATOM 0 H GLU A 57 3.610 -7.134 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 57 3.739 -5.718 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.560 -6.932 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.984 -7.952 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.475 -8.779 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.063 -7.742 -7.090 1.00 0.00 H new ATOM 886 N ILE A 58 1.615 -4.500 -8.281 1.00 0.00 N ATOM 887 CA ILE A 58 0.667 -3.468 -7.843 1.00 0.00 C ATOM 888 C ILE A 58 -0.426 -3.710 -8.880 1.00 0.00 C ATOM 889 O ILE A 58 -0.110 -3.934 -10.035 1.00 0.00 O ATOM 890 CB ILE A 58 1.310 -2.084 -8.010 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.720 -2.053 -7.360 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.436 -1.006 -7.357 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.791 -2.415 -8.404 1.00 0.00 C ATOM 0 H ILE A 58 1.749 -4.537 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 58 0.335 -3.506 -6.806 1.00 0.00 H new ATOM 0 HB ILE A 58 1.400 -1.884 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.919 -1.062 -6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.761 -2.755 -6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.906 -0.031 -7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.547 -1.000 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.327 -1.221 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.776 -2.390 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.598 -3.415 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.759 -1.696 -9.223 1.00 0.00 H new ATOM 905 N LEU A 59 -1.651 -3.653 -8.462 1.00 0.00 N ATOM 906 CA LEU A 59 -2.776 -3.876 -9.397 1.00 0.00 C ATOM 907 C LEU A 59 -3.405 -2.545 -9.809 1.00 0.00 C ATOM 908 O LEU A 59 -3.477 -2.232 -10.979 1.00 0.00 O ATOM 909 CB LEU A 59 -3.820 -4.766 -8.700 1.00 0.00 C ATOM 910 CG LEU A 59 -3.242 -6.191 -8.393 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.341 -6.214 -7.133 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.410 -7.171 -8.135 1.00 0.00 C ATOM 0 H LEU A 59 -1.925 -3.459 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.411 -4.366 -10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.141 -4.294 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.703 -4.858 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.644 -6.478 -9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.970 -7.226 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.499 -5.537 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.920 -5.896 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.012 -8.163 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.995 -6.823 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.047 -7.218 -9.018 1.00 0.00 H new ATOM 924 N VAL A 60 -3.843 -1.784 -8.845 1.00 0.00 N ATOM 925 CA VAL A 60 -4.481 -0.463 -9.148 1.00 0.00 C ATOM 926 C VAL A 60 -3.619 0.651 -8.499 1.00 0.00 C ATOM 927 O VAL A 60 -4.065 1.278 -7.565 1.00 0.00 O ATOM 928 CB VAL A 60 -5.941 -0.501 -8.567 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.768 0.691 -9.103 1.00 0.00 C ATOM 930 CG2 VAL A 60 -6.655 -1.830 -8.945 1.00 0.00 C ATOM 0 H VAL A 60 -3.788 -2.018 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.538 -0.260 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.868 -0.434 -7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.776 0.649 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.293 1.626 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.818 0.639 -10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.663 -1.832 -8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.708 -1.919 -10.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.095 -2.672 -8.539 1.00 0.00 H new ATOM 940 N PRO A 61 -2.419 0.865 -8.992 1.00 0.00 N ATOM 941 CA PRO A 61 -1.397 1.710 -8.296 1.00 0.00 C ATOM 942 C PRO A 61 -1.869 3.026 -7.642 1.00 0.00 C ATOM 943 O PRO A 61 -2.022 3.079 -6.435 1.00 0.00 O ATOM 944 CB PRO A 61 -0.299 1.924 -9.385 1.00 0.00 C ATOM 945 CG PRO A 61 -0.994 1.513 -10.722 1.00 0.00 C ATOM 946 CD PRO A 61 -1.914 0.350 -10.297 1.00 0.00 C ATOM 0 HA PRO A 61 -1.051 1.194 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.036 2.961 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.580 1.310 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.561 2.339 -11.152 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.269 1.199 -11.473 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.718 0.175 -11.012 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.372 -0.590 -10.190 1.00 0.00 H new ATOM 954 N GLU A 62 -2.065 4.024 -8.451 1.00 0.00 N ATOM 955 CA GLU A 62 -2.514 5.369 -7.993 1.00 0.00 C ATOM 956 C GLU A 62 -3.460 5.913 -9.041 1.00 0.00 C ATOM 957 O GLU A 62 -3.667 5.305 -10.078 1.00 0.00 O ATOM 958 CB GLU A 62 -1.246 6.252 -7.833 1.00 0.00 C ATOM 959 CG GLU A 62 -0.449 6.315 -9.165 1.00 0.00 C ATOM 960 CD GLU A 62 1.036 6.391 -8.876 1.00 0.00 C ATOM 961 OE1 GLU A 62 1.437 7.357 -8.254 1.00 0.00 O ATOM 962 OE2 GLU A 62 1.681 5.450 -9.296 1.00 0.00 O ATOM 0 H GLU A 62 -1.926 3.960 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.038 5.342 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.534 7.258 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.613 5.848 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.666 5.435 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.760 7.184 -9.744 1.00 0.00 H new ATOM 969 N GLY A 63 -4.026 7.035 -8.736 1.00 0.00 N ATOM 970 CA GLY A 63 -4.966 7.678 -9.698 1.00 0.00 C ATOM 971 C GLY A 63 -6.401 7.426 -9.318 1.00 0.00 C ATOM 972 O GLY A 63 -7.181 8.349 -9.190 1.00 0.00 O ATOM 0 H GLY A 63 -3.883 7.542 -7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.780 8.752 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.781 7.294 -10.701 1.00 0.00 H new ATOM 976 N THR A 64 -6.703 6.176 -9.141 1.00 0.00 N ATOM 977 CA THR A 64 -8.095 5.807 -8.771 1.00 0.00 C ATOM 978 C THR A 64 -8.082 5.508 -7.265 1.00 0.00 C ATOM 979 O THR A 64 -7.059 5.631 -6.614 1.00 0.00 O ATOM 980 CB THR A 64 -8.498 4.568 -9.619 1.00 0.00 C ATOM 981 OG1 THR A 64 -7.922 4.821 -10.896 1.00 0.00 O ATOM 982 CG2 THR A 64 -10.000 4.604 -9.975 1.00 0.00 C ATOM 0 H THR A 64 -6.052 5.396 -9.235 1.00 0.00 H new ATOM 0 HA THR A 64 -8.822 6.595 -8.969 1.00 0.00 H new ATOM 0 HB THR A 64 -8.216 3.658 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.129 4.078 -11.501 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.254 3.726 -10.568 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.591 4.607 -9.059 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.216 5.505 -10.549 1.00 0.00 H new ATOM 990 N VAL A 65 -9.211 5.114 -6.757 1.00 0.00 N ATOM 991 CA VAL A 65 -9.320 4.804 -5.314 1.00 0.00 C ATOM 992 C VAL A 65 -9.489 3.289 -5.281 1.00 0.00 C ATOM 993 O VAL A 65 -10.104 2.735 -6.174 1.00 0.00 O ATOM 994 CB VAL A 65 -10.563 5.568 -4.784 1.00 0.00 C ATOM 995 CG1 VAL A 65 -10.659 5.462 -3.259 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.495 7.061 -5.210 1.00 0.00 C ATOM 0 H VAL A 65 -10.073 4.993 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.473 5.099 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.454 5.113 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.538 6.005 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.743 4.414 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.765 5.891 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.372 7.587 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.594 7.516 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.471 7.128 -6.298 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.947 2.664 -4.279 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.044 1.193 -4.137 1.00 0.00 C ATOM 1008 C ALA A 66 -9.733 0.962 -2.825 1.00 0.00 C ATOM 1009 O ALA A 66 -9.548 1.716 -1.887 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.654 0.657 -4.125 1.00 0.00 C ATOM 0 H ALA A 66 -8.427 3.126 -3.533 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.594 0.704 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.683 -0.428 -4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.155 0.919 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.106 1.087 -3.287 1.00 0.00 H new ATOM 1016 N THR A 67 -10.479 -0.082 -2.756 1.00 0.00 N ATOM 1017 CA THR A 67 -11.190 -0.356 -1.500 1.00 0.00 C ATOM 1018 C THR A 67 -10.390 -1.416 -0.744 1.00 0.00 C ATOM 1019 O THR A 67 -9.178 -1.498 -0.857 1.00 0.00 O ATOM 1020 CB THR A 67 -12.619 -0.727 -1.994 1.00 0.00 C ATOM 1021 OG1 THR A 67 -13.404 -0.792 -0.818 1.00 0.00 O ATOM 1022 CG2 THR A 67 -12.682 -2.093 -2.703 1.00 0.00 C ATOM 0 H THR A 67 -10.628 -0.755 -3.508 1.00 0.00 H new ATOM 0 HA THR A 67 -11.287 0.447 -0.770 1.00 0.00 H new ATOM 0 HB THR A 67 -12.960 0.008 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.795 -1.687 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.705 -2.290 -3.022 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.026 -2.082 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.359 -2.875 -2.016 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.099 -2.159 0.029 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.559 -3.280 0.855 1.00 0.00 C ATOM 1032 C VAL A 68 -11.346 -4.427 0.239 1.00 0.00 C ATOM 1033 O VAL A 68 -12.355 -4.226 -0.402 1.00 0.00 O ATOM 1034 CB VAL A 68 -10.943 -3.145 2.293 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -10.574 -4.413 3.107 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.137 -2.049 2.785 1.00 0.00 C ATOM 0 H VAL A 68 -12.106 -2.033 0.136 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.472 -3.363 0.851 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.018 -2.992 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.869 -4.276 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.095 -5.276 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.498 -4.579 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.357 -1.881 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.081 -2.293 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.365 -1.146 2.218 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.890 -5.628 0.422 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.642 -6.772 -0.188 1.00 0.00 C ATOM 1048 C GLY A 69 -10.792 -6.949 -1.456 1.00 0.00 C ATOM 1049 O GLY A 69 -10.391 -8.030 -1.827 1.00 0.00 O ATOM 0 H GLY A 69 -10.053 -5.873 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.649 -7.660 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.682 -6.527 -0.406 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.555 -5.819 -2.062 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.756 -5.666 -3.296 1.00 0.00 C ATOM 1055 C GLN A 70 -8.366 -5.466 -2.688 1.00 0.00 C ATOM 1056 O GLN A 70 -8.237 -4.990 -1.571 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.149 -4.375 -4.021 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.480 -4.242 -5.391 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.594 -2.768 -5.770 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -10.672 -2.218 -5.863 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.518 -2.083 -5.989 1.00 0.00 N ATOM 0 H GLN A 70 -10.917 -4.931 -1.715 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.861 -6.484 -4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.232 -4.348 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.877 -3.519 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.437 -4.555 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.973 -4.875 -6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.604 -2.531 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.583 -1.095 -6.236 1.00 0.00 H new ATOM 1070 N THR A 71 -7.377 -5.820 -3.439 1.00 0.00 N ATOM 1071 CA THR A 71 -5.994 -5.666 -2.969 1.00 0.00 C ATOM 1072 C THR A 71 -5.519 -4.393 -3.693 1.00 0.00 C ATOM 1073 O THR A 71 -6.252 -3.724 -4.403 1.00 0.00 O ATOM 1074 CB THR A 71 -5.205 -6.881 -3.423 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.141 -7.955 -3.458 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.093 -7.309 -2.438 1.00 0.00 C ATOM 0 H THR A 71 -7.473 -6.216 -4.374 1.00 0.00 H new ATOM 0 HA THR A 71 -5.881 -5.588 -1.888 1.00 0.00 H new ATOM 0 HB THR A 71 -4.728 -6.641 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.688 -8.774 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.575 -8.183 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.383 -6.491 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.536 -7.555 -1.473 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.271 -4.119 -3.477 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.628 -2.930 -4.088 1.00 0.00 C ATOM 1086 C LEU A 72 -2.237 -3.384 -4.511 1.00 0.00 C ATOM 1087 O LEU A 72 -1.940 -3.522 -5.680 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.537 -1.772 -3.037 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.857 -0.522 -3.681 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.755 0.081 -4.788 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.613 0.562 -2.612 1.00 0.00 C ATOM 0 H LEU A 72 -3.654 -4.681 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.195 -2.550 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.534 -1.512 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.966 -2.101 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.910 -0.845 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.262 0.950 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.926 -0.665 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.710 0.383 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.139 1.428 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.565 0.861 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.963 0.165 -1.833 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.432 -3.608 -3.520 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.029 -4.054 -3.718 1.00 0.00 C ATOM 1105 C ILE A 73 0.185 -5.103 -2.638 1.00 0.00 C ATOM 1106 O ILE A 73 -0.634 -5.215 -1.735 1.00 0.00 O ATOM 1107 CB ILE A 73 0.854 -2.771 -3.546 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.380 -3.073 -3.663 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.530 -2.076 -2.173 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.179 -1.742 -3.642 1.00 0.00 C ATOM 0 H ILE A 73 -1.698 -3.496 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 73 0.215 -4.490 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 73 0.606 -2.094 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.698 -3.713 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.584 -3.616 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.148 -1.185 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.522 -1.793 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.739 -2.767 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.245 -1.956 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.869 -1.118 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.985 -1.216 -2.707 1.00 0.00 H new ATOM 1122 N THR A 74 1.240 -5.825 -2.789 1.00 0.00 N ATOM 1123 CA THR A 74 1.575 -6.858 -1.797 1.00 0.00 C ATOM 1124 C THR A 74 3.097 -6.703 -1.659 1.00 0.00 C ATOM 1125 O THR A 74 3.755 -6.158 -2.533 1.00 0.00 O ATOM 1126 CB THR A 74 1.155 -8.239 -2.323 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.754 -9.082 -1.363 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.787 -8.620 -3.684 1.00 0.00 C ATOM 0 H THR A 74 1.894 -5.743 -3.567 1.00 0.00 H new ATOM 0 HA THR A 74 1.068 -6.759 -0.837 1.00 0.00 H new ATOM 0 HB THR A 74 0.075 -8.293 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.056 -9.531 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.439 -9.609 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.495 -7.889 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.873 -8.631 -3.591 1.00 0.00 H new ATOM 1136 N LEU A 75 3.590 -7.201 -0.578 1.00 0.00 N ATOM 1137 CA LEU A 75 5.049 -7.158 -0.233 1.00 0.00 C ATOM 1138 C LEU A 75 5.483 -8.565 0.155 1.00 0.00 C ATOM 1139 O LEU A 75 4.673 -9.306 0.689 1.00 0.00 O ATOM 1140 CB LEU A 75 5.235 -6.183 0.944 1.00 0.00 C ATOM 1141 CG LEU A 75 6.502 -5.253 0.855 1.00 0.00 C ATOM 1142 CD1 LEU A 75 6.375 -4.065 1.838 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.789 -6.029 1.230 1.00 0.00 C ATOM 0 H LEU A 75 3.019 -7.665 0.129 1.00 0.00 H new ATOM 0 HA LEU A 75 5.653 -6.818 -1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.348 -5.554 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.293 -6.760 1.867 1.00 0.00 H new ATOM 0 HG LEU A 75 6.564 -4.896 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.260 -3.434 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.490 -3.480 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.286 -4.443 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.649 -5.363 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.703 -6.405 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.922 -6.866 0.545 1.00 0.00 H new ATOM 1155 N ASP A 76 6.716 -8.903 -0.115 1.00 0.00 N ATOM 1156 CA ASP A 76 7.195 -10.266 0.264 1.00 0.00 C ATOM 1157 C ASP A 76 8.212 -9.961 1.333 1.00 0.00 C ATOM 1158 O ASP A 76 8.817 -8.903 1.305 1.00 0.00 O ATOM 1159 CB ASP A 76 7.831 -10.999 -0.978 1.00 0.00 C ATOM 1160 CG ASP A 76 9.316 -10.896 -1.320 1.00 0.00 C ATOM 1161 OD1 ASP A 76 10.167 -10.339 -0.660 1.00 0.00 O ATOM 1162 OD2 ASP A 76 9.588 -11.449 -2.368 1.00 0.00 O ATOM 0 H ASP A 76 7.403 -8.306 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 76 6.410 -10.939 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.611 -12.060 -0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.284 -10.656 -1.856 1.00 0.00 H new ATOM 1167 N ALA A 77 8.358 -10.874 2.240 1.00 0.00 N ATOM 1168 CA ALA A 77 9.337 -10.686 3.344 1.00 0.00 C ATOM 1169 C ALA A 77 10.427 -11.739 3.181 1.00 0.00 C ATOM 1170 O ALA A 77 11.575 -11.396 3.384 1.00 0.00 O ATOM 1171 CB ALA A 77 8.674 -10.855 4.728 1.00 0.00 C ATOM 0 H ALA A 77 7.839 -11.752 2.268 1.00 0.00 H new ATOM 0 HA ALA A 77 9.743 -9.676 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.420 -10.711 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.880 -10.117 4.844 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.253 -11.857 4.810 1.00 0.00 H new ATOM 1177 N PRO A 78 10.145 -12.974 2.840 1.00 0.00 N ATOM 1178 CA PRO A 78 8.868 -13.727 2.987 1.00 0.00 C ATOM 1179 C PRO A 78 8.853 -14.550 4.275 1.00 0.00 C ATOM 1180 O PRO A 78 9.816 -14.589 5.012 1.00 0.00 O ATOM 1181 CB PRO A 78 8.803 -14.593 1.720 1.00 0.00 C ATOM 1182 CG PRO A 78 10.253 -14.471 1.075 1.00 0.00 C ATOM 1183 CD PRO A 78 11.142 -13.831 2.172 1.00 0.00 C ATOM 0 HA PRO A 78 7.995 -13.080 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.562 -15.629 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.033 -14.237 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.635 -15.449 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.232 -13.854 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.572 -14.573 2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.971 -13.259 1.756 1.00 0.00 H new ATOM 1191 N GLY A 79 7.741 -15.183 4.500 1.00 0.00 N ATOM 1192 CA GLY A 79 7.550 -16.031 5.720 1.00 0.00 C ATOM 1193 C GLY A 79 6.564 -15.140 6.481 1.00 0.00 C ATOM 1194 O GLY A 79 5.657 -15.590 7.150 1.00 0.00 O ATOM 0 H GLY A 79 6.933 -15.152 3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.138 -17.013 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.478 -16.195 6.268 1.00 0.00 H new ATOM 1198 N TYR A 80 6.852 -13.886 6.304 1.00 0.00 N ATOM 1199 CA TYR A 80 6.173 -12.691 6.833 1.00 0.00 C ATOM 1200 C TYR A 80 5.920 -11.943 5.473 1.00 0.00 C ATOM 1201 O TYR A 80 5.978 -12.575 4.416 1.00 0.00 O ATOM 1202 CB TYR A 80 7.198 -12.008 7.767 1.00 0.00 C ATOM 1203 CG TYR A 80 6.682 -10.825 8.599 1.00 0.00 C ATOM 1204 CD1 TYR A 80 5.725 -10.995 9.577 1.00 0.00 C ATOM 1205 CD2 TYR A 80 7.205 -9.565 8.395 1.00 0.00 C ATOM 1206 CE1 TYR A 80 5.302 -9.922 10.335 1.00 0.00 C ATOM 1207 CE2 TYR A 80 6.784 -8.494 9.151 1.00 0.00 C ATOM 1208 CZ TYR A 80 5.830 -8.668 10.127 1.00 0.00 C ATOM 1209 OH TYR A 80 5.412 -7.602 10.895 1.00 0.00 O ATOM 1210 OXT TYR A 80 5.682 -10.756 5.529 1.00 0.00 O ATOM 0 H TYR A 80 7.651 -13.623 5.727 1.00 0.00 H new ATOM 0 HA TYR A 80 5.260 -12.792 7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.592 -12.760 8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.034 -11.660 7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.304 -11.974 9.751 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.955 -9.417 7.632 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.551 -10.067 11.097 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.204 -7.514 8.977 1.00 0.00 H new ATOM 0 HH TYR A 80 5.887 -6.792 10.616 1.00 0.00 H new TER 1220 TYR A 80