USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 159:sc= -8.91! USER MOD Set 1.2: A 77 TYR OH : rot -173:sc= -5.63! USER MOD Single : A 1 ALA N :NH3+ -142:sc= 0.0468 (180deg=-0.733) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 110:sc= -3.96! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.18! C(o=-2.2!,f=-7.5!) USER MOD Single : A 22 SER OG : rot -173:sc= -0.0104! USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0197) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-8!) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -7.45! C(o=-8.5!,f=-7.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 57 MET CE :methyl -144:sc= -3.01 (180deg=-6.43!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -1:sc= -1.01 USER MOD Single : A 65 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.13! C(o=-1.1!,f=-2.9!) USER MOD Single : A 82 THR OG1 : rot 2:sc= -6.86! USER MOD Single : A 87 ASN :FLIP amide:sc= -0.845 F(o=-1.9!,f=-0.84) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.513 -11.505 -0.335 1.00 0.00 N ATOM 2 CA ALA A 1 -17.557 -10.697 -1.143 1.00 0.00 C ATOM 3 C ALA A 1 -16.137 -10.923 -0.630 1.00 0.00 C ATOM 4 O ALA A 1 -15.806 -11.975 -0.123 1.00 0.00 O ATOM 5 CB ALA A 1 -17.926 -9.211 -1.040 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.257 -11.885 -0.955 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.006 -12.291 0.119 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.944 -10.904 0.396 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.610 -11.004 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.226 -8.620 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.937 -9.060 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.877 -8.895 0.002 1.00 0.00 H new ATOM 13 N ASP A 2 -15.293 -9.945 -0.775 1.00 0.00 N ATOM 14 CA ASP A 2 -13.885 -10.094 -0.316 1.00 0.00 C ATOM 15 C ASP A 2 -13.548 -9.106 0.826 1.00 0.00 C ATOM 16 O ASP A 2 -12.479 -8.535 0.844 1.00 0.00 O ATOM 17 CB ASP A 2 -12.970 -9.839 -1.515 1.00 0.00 C ATOM 18 CG ASP A 2 -11.530 -9.828 -1.047 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.286 -10.349 0.023 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.696 -9.300 -1.763 1.00 0.00 O ATOM 0 H ASP A 2 -15.518 -9.043 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.741 -11.100 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.114 -10.613 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.220 -8.887 -1.983 1.00 0.00 H new ATOM 25 N PRO A 3 -14.435 -8.953 1.781 1.00 0.00 N ATOM 26 CA PRO A 3 -14.174 -8.076 2.935 1.00 0.00 C ATOM 27 C PRO A 3 -13.258 -8.814 3.916 1.00 0.00 C ATOM 28 O PRO A 3 -12.907 -8.305 4.962 1.00 0.00 O ATOM 29 CB PRO A 3 -15.557 -7.870 3.557 1.00 0.00 C ATOM 30 CG PRO A 3 -16.414 -9.070 3.096 1.00 0.00 C ATOM 31 CD PRO A 3 -15.758 -9.607 1.812 1.00 0.00 C ATOM 0 HA PRO A 3 -13.692 -7.135 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.494 -7.830 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.996 -6.928 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.448 -9.841 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.442 -8.762 2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.665 -10.693 1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.347 -9.357 0.929 1.00 0.00 H new ATOM 39 N GLU A 4 -12.904 -10.032 3.592 1.00 0.00 N ATOM 40 CA GLU A 4 -12.050 -10.838 4.508 1.00 0.00 C ATOM 41 C GLU A 4 -10.868 -11.456 3.758 1.00 0.00 C ATOM 42 O GLU A 4 -10.134 -12.256 4.304 1.00 0.00 O ATOM 43 CB GLU A 4 -12.903 -11.967 5.058 1.00 0.00 C ATOM 44 CG GLU A 4 -12.520 -12.249 6.512 1.00 0.00 C ATOM 45 CD GLU A 4 -12.304 -13.752 6.700 1.00 0.00 C ATOM 46 OE1 GLU A 4 -13.185 -14.508 6.324 1.00 0.00 O ATOM 47 OE2 GLU A 4 -11.263 -14.121 7.218 1.00 0.00 O ATOM 0 H GLU A 4 -13.173 -10.502 2.728 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.664 -10.193 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.958 -11.701 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.765 -12.865 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.612 -11.705 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.305 -11.897 7.181 1.00 0.00 H new ATOM 54 N LYS A 5 -10.672 -11.109 2.520 1.00 0.00 N ATOM 55 CA LYS A 5 -9.537 -11.697 1.764 1.00 0.00 C ATOM 56 C LYS A 5 -8.967 -10.614 0.868 1.00 0.00 C ATOM 57 O LYS A 5 -8.556 -10.858 -0.250 1.00 0.00 O ATOM 58 CB LYS A 5 -10.032 -12.874 0.922 1.00 0.00 C ATOM 59 CG LYS A 5 -9.562 -14.187 1.557 1.00 0.00 C ATOM 60 CD LYS A 5 -10.720 -15.186 1.588 1.00 0.00 C ATOM 61 CE LYS A 5 -10.173 -16.608 1.443 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.295 -17.323 2.746 1.00 0.00 N ATOM 0 H LYS A 5 -11.247 -10.446 2.000 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.769 -12.064 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.120 -12.857 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.651 -12.793 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.728 -14.599 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.199 -14.004 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.271 -15.091 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.421 -14.971 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.723 -17.144 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.130 -16.577 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.923 -18.289 2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.751 -16.815 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.295 -17.364 3.027 1.00 0.00 H new ATOM 76 N SER A 6 -8.957 -9.412 1.357 1.00 0.00 N ATOM 77 CA SER A 6 -8.432 -8.286 0.545 1.00 0.00 C ATOM 78 C SER A 6 -7.177 -7.746 1.218 1.00 0.00 C ATOM 79 O SER A 6 -7.218 -7.242 2.321 1.00 0.00 O ATOM 80 CB SER A 6 -9.463 -7.164 0.480 1.00 0.00 C ATOM 81 OG SER A 6 -10.628 -7.619 -0.184 1.00 0.00 O ATOM 0 H SER A 6 -9.291 -9.159 2.287 1.00 0.00 H new ATOM 0 HA SER A 6 -8.213 -8.639 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.714 -6.830 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.046 -6.305 -0.046 1.00 0.00 H new ATOM 0 HG SER A 6 -11.359 -7.708 0.462 1.00 0.00 H new ATOM 87 N TYR A 7 -6.058 -7.872 0.573 1.00 0.00 N ATOM 88 CA TYR A 7 -4.788 -7.384 1.191 1.00 0.00 C ATOM 89 C TYR A 7 -3.977 -6.554 0.187 1.00 0.00 C ATOM 90 O TYR A 7 -3.878 -6.887 -0.976 1.00 0.00 O ATOM 91 CB TYR A 7 -3.943 -8.583 1.655 1.00 0.00 C ATOM 92 CG TYR A 7 -4.458 -9.863 1.028 1.00 0.00 C ATOM 93 CD1 TYR A 7 -4.312 -10.076 -0.348 1.00 0.00 C ATOM 94 CD2 TYR A 7 -5.084 -10.831 1.822 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.790 -11.256 -0.930 1.00 0.00 C ATOM 96 CE2 TYR A 7 -5.563 -12.012 1.242 1.00 0.00 C ATOM 97 CZ TYR A 7 -5.416 -12.225 -0.134 1.00 0.00 C ATOM 98 OH TYR A 7 -5.887 -13.388 -0.707 1.00 0.00 O ATOM 0 H TYR A 7 -5.961 -8.289 -0.353 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.042 -6.755 2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.900 -8.429 1.380 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.978 -8.663 2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.830 -9.329 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.198 -10.667 2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.677 -11.420 -1.991 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.046 -12.758 1.856 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.292 -13.952 -0.016 1.00 0.00 H new ATOM 108 N ALA A 8 -3.380 -5.484 0.649 1.00 0.00 N ATOM 109 CA ALA A 8 -2.549 -4.628 -0.250 1.00 0.00 C ATOM 110 C ALA A 8 -1.122 -4.600 0.289 1.00 0.00 C ATOM 111 O ALA A 8 -0.899 -4.270 1.437 1.00 0.00 O ATOM 112 CB ALA A 8 -3.090 -3.197 -0.264 1.00 0.00 C ATOM 0 H ALA A 8 -3.433 -5.165 1.616 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.576 -5.035 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.476 -2.582 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.118 -3.200 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.061 -2.787 0.746 1.00 0.00 H new ATOM 118 N GLU A 9 -0.150 -4.941 -0.508 1.00 0.00 N ATOM 119 CA GLU A 9 1.245 -4.918 0.015 1.00 0.00 C ATOM 120 C GLU A 9 2.226 -4.555 -1.096 1.00 0.00 C ATOM 121 O GLU A 9 2.083 -4.959 -2.237 1.00 0.00 O ATOM 122 CB GLU A 9 1.603 -6.293 0.586 1.00 0.00 C ATOM 123 CG GLU A 9 1.343 -7.372 -0.467 1.00 0.00 C ATOM 124 CD GLU A 9 2.474 -8.403 -0.428 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.958 -8.681 0.657 1.00 0.00 O ATOM 126 OE2 GLU A 9 2.836 -8.898 -1.483 1.00 0.00 O ATOM 0 H GLU A 9 -0.255 -5.230 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 9 1.311 -4.166 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.650 -6.311 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.010 -6.492 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.386 -7.858 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.281 -6.922 -1.458 1.00 0.00 H new ATOM 133 N GLY A 10 3.222 -3.781 -0.767 1.00 0.00 N ATOM 134 CA GLY A 10 4.223 -3.383 -1.786 1.00 0.00 C ATOM 135 C GLY A 10 5.480 -2.853 -1.101 1.00 0.00 C ATOM 136 O GLY A 10 5.503 -2.676 0.100 1.00 0.00 O ATOM 0 H GLY A 10 3.383 -3.407 0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.474 -4.237 -2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.805 -2.618 -2.440 1.00 0.00 H new ATOM 140 N PRO A 11 6.475 -2.560 -1.902 1.00 0.00 N ATOM 141 CA PRO A 11 7.734 -1.977 -1.418 1.00 0.00 C ATOM 142 C PRO A 11 7.528 -0.470 -1.208 1.00 0.00 C ATOM 143 O PRO A 11 8.458 0.273 -0.964 1.00 0.00 O ATOM 144 CB PRO A 11 8.719 -2.245 -2.559 1.00 0.00 C ATOM 145 CG PRO A 11 7.864 -2.444 -3.834 1.00 0.00 C ATOM 146 CD PRO A 11 6.439 -2.793 -3.361 1.00 0.00 C ATOM 0 HA PRO A 11 8.085 -2.390 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.410 -1.410 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.321 -3.130 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.859 -1.539 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.273 -3.242 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.693 -2.164 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.184 -3.827 -3.593 1.00 0.00 H new ATOM 154 N GLY A 12 6.300 -0.025 -1.309 1.00 0.00 N ATOM 155 CA GLY A 12 5.981 1.414 -1.129 1.00 0.00 C ATOM 156 C GLY A 12 5.061 1.559 0.079 1.00 0.00 C ATOM 157 O GLY A 12 4.392 0.626 0.434 1.00 0.00 O ATOM 0 H GLY A 12 5.493 -0.615 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.895 1.989 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.498 1.809 -2.023 1.00 0.00 H new ATOM 161 N LEU A 13 5.028 2.722 0.693 1.00 0.00 N ATOM 162 CA LEU A 13 4.136 2.962 1.883 1.00 0.00 C ATOM 163 C LEU A 13 4.870 2.626 3.176 1.00 0.00 C ATOM 164 O LEU A 13 4.582 3.168 4.224 1.00 0.00 O ATOM 165 CB LEU A 13 2.828 2.160 1.752 1.00 0.00 C ATOM 166 CG LEU A 13 2.664 1.092 2.859 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.189 0.762 2.998 1.00 0.00 C ATOM 168 CD2 LEU A 13 3.414 -0.196 2.500 1.00 0.00 C ATOM 0 H LEU A 13 5.589 3.528 0.417 1.00 0.00 H new ATOM 0 HA LEU A 13 3.873 4.019 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.982 2.846 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.802 1.673 0.777 1.00 0.00 H new ATOM 0 HG LEU A 13 3.072 1.490 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.056 0.010 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.638 1.663 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.812 0.376 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.281 -0.928 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.020 -0.599 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.475 0.022 2.381 1.00 0.00 H new ATOM 180 N ASP A 14 5.818 1.755 3.109 1.00 0.00 N ATOM 181 CA ASP A 14 6.581 1.400 4.340 1.00 0.00 C ATOM 182 C ASP A 14 7.034 2.687 5.014 1.00 0.00 C ATOM 183 O ASP A 14 7.310 2.728 6.196 1.00 0.00 O ATOM 184 CB ASP A 14 7.824 0.615 3.970 1.00 0.00 C ATOM 185 CG ASP A 14 7.512 -0.361 2.836 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.504 0.071 1.695 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.286 -1.524 3.127 1.00 0.00 O ATOM 0 H ASP A 14 6.106 1.268 2.260 1.00 0.00 H new ATOM 0 HA ASP A 14 5.946 0.806 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.617 1.298 3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.191 0.069 4.839 1.00 0.00 H new ATOM 192 N GLY A 15 7.111 3.740 4.255 1.00 0.00 N ATOM 193 CA GLY A 15 7.546 5.050 4.824 1.00 0.00 C ATOM 194 C GLY A 15 9.064 5.187 4.775 1.00 0.00 C ATOM 195 O GLY A 15 9.697 4.978 3.760 1.00 0.00 O ATOM 0 H GLY A 15 6.891 3.754 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.085 5.865 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.202 5.136 5.855 1.00 0.00 H new ATOM 199 N GLY A 16 9.643 5.540 5.889 1.00 0.00 N ATOM 200 CA GLY A 16 11.124 5.705 5.963 1.00 0.00 C ATOM 201 C GLY A 16 11.606 6.886 5.122 1.00 0.00 C ATOM 202 O GLY A 16 11.953 7.925 5.646 1.00 0.00 O ATOM 0 H GLY A 16 9.148 5.724 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.422 5.852 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.609 4.792 5.619 1.00 0.00 H new ATOM 206 N GLU A 17 11.679 6.728 3.831 1.00 0.00 N ATOM 207 CA GLU A 17 12.196 7.842 2.993 1.00 0.00 C ATOM 208 C GLU A 17 11.153 8.344 1.997 1.00 0.00 C ATOM 209 O GLU A 17 10.373 7.592 1.446 1.00 0.00 O ATOM 210 CB GLU A 17 13.395 7.347 2.210 1.00 0.00 C ATOM 211 CG GLU A 17 14.606 7.222 3.139 1.00 0.00 C ATOM 212 CD GLU A 17 14.920 5.744 3.374 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.160 5.102 4.080 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.916 5.279 2.846 1.00 0.00 O ATOM 0 H GLU A 17 11.406 5.885 3.325 1.00 0.00 H new ATOM 0 HA GLU A 17 12.459 8.664 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.171 6.381 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.619 8.037 1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.469 7.722 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.402 7.716 4.089 1.00 0.00 H new ATOM 221 N CYS A 18 11.155 9.626 1.764 1.00 0.00 N ATOM 222 CA CYS A 18 10.181 10.234 0.793 1.00 0.00 C ATOM 223 C CYS A 18 10.774 10.194 -0.614 1.00 0.00 C ATOM 224 O CYS A 18 10.075 10.342 -1.596 1.00 0.00 O ATOM 225 CB CYS A 18 9.917 11.710 1.127 1.00 0.00 C ATOM 226 SG CYS A 18 8.457 11.870 2.191 1.00 0.00 S ATOM 0 H CYS A 18 11.792 10.290 2.204 1.00 0.00 H new ATOM 0 HA CYS A 18 9.254 9.665 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.787 12.137 1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.768 12.276 0.207 1.00 0.00 H new ATOM 0 HG CYS A 18 8.499 13.009 2.817 1.00 0.00 H new ATOM 232 N PHE A 19 12.059 10.029 -0.715 1.00 0.00 N ATOM 233 CA PHE A 19 12.702 10.020 -2.058 1.00 0.00 C ATOM 234 C PHE A 19 12.718 8.613 -2.622 1.00 0.00 C ATOM 235 O PHE A 19 13.326 8.343 -3.639 1.00 0.00 O ATOM 236 CB PHE A 19 14.117 10.575 -1.951 1.00 0.00 C ATOM 237 CG PHE A 19 13.993 12.063 -1.803 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.210 12.581 -0.768 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.616 12.926 -2.710 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.049 13.952 -0.635 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.447 14.308 -2.577 1.00 0.00 C ATOM 242 CZ PHE A 19 13.661 14.815 -1.536 1.00 0.00 C ATOM 0 H PHE A 19 12.694 9.900 0.073 1.00 0.00 H new ATOM 0 HA PHE A 19 12.128 10.651 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.637 10.144 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.699 10.322 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.729 11.912 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.224 12.528 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.448 14.349 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.921 14.982 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.529 15.882 -1.432 1.00 0.00 H new ATOM 252 N GLN A 20 12.012 7.725 -2.000 1.00 0.00 N ATOM 253 CA GLN A 20 11.938 6.350 -2.528 1.00 0.00 C ATOM 254 C GLN A 20 10.625 6.253 -3.291 1.00 0.00 C ATOM 255 O GLN A 20 9.686 6.961 -2.981 1.00 0.00 O ATOM 256 CB GLN A 20 11.945 5.344 -1.377 1.00 0.00 C ATOM 257 CG GLN A 20 13.374 4.860 -1.131 1.00 0.00 C ATOM 258 CD GLN A 20 13.392 3.933 0.086 1.00 0.00 C ATOM 259 OE1 GLN A 20 13.579 4.378 1.200 1.00 0.00 O ATOM 260 NE2 GLN A 20 13.198 2.654 -0.082 1.00 0.00 N ATOM 0 H GLN A 20 11.481 7.894 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 20 12.790 6.128 -3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.546 5.806 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.299 4.499 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.748 4.333 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.035 5.711 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.041 2.281 -1.018 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.203 2.027 0.723 1.00 0.00 H new ATOM 269 N PRO A 21 10.583 5.395 -4.260 1.00 0.00 N ATOM 270 CA PRO A 21 9.376 5.214 -5.071 1.00 0.00 C ATOM 271 C PRO A 21 8.314 4.522 -4.223 1.00 0.00 C ATOM 272 O PRO A 21 8.565 3.493 -3.628 1.00 0.00 O ATOM 273 CB PRO A 21 9.857 4.343 -6.238 1.00 0.00 C ATOM 274 CG PRO A 21 11.143 3.637 -5.751 1.00 0.00 C ATOM 275 CD PRO A 21 11.712 4.515 -4.624 1.00 0.00 C ATOM 0 HA PRO A 21 8.922 6.138 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.096 3.615 -6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.057 4.951 -7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.923 2.633 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.862 3.532 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.041 3.914 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.575 5.090 -4.961 1.00 0.00 H new ATOM 283 N SER A 22 7.135 5.077 -4.131 1.00 0.00 N ATOM 284 CA SER A 22 6.110 4.428 -3.288 1.00 0.00 C ATOM 285 C SER A 22 5.088 3.748 -4.186 1.00 0.00 C ATOM 286 O SER A 22 4.302 4.398 -4.838 1.00 0.00 O ATOM 287 CB SER A 22 5.425 5.512 -2.487 1.00 0.00 C ATOM 288 OG SER A 22 5.307 5.097 -1.132 1.00 0.00 O ATOM 0 H SER A 22 6.847 5.937 -4.597 1.00 0.00 H new ATOM 0 HA SER A 22 6.561 3.687 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.996 6.439 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.439 5.718 -2.903 1.00 0.00 H new ATOM 0 HG SER A 22 4.772 5.750 -0.635 1.00 0.00 H new ATOM 294 N LYS A 23 5.092 2.442 -4.215 1.00 0.00 N ATOM 295 CA LYS A 23 4.120 1.711 -5.064 1.00 0.00 C ATOM 296 C LYS A 23 3.807 0.355 -4.443 1.00 0.00 C ATOM 297 O LYS A 23 4.683 -0.349 -3.987 1.00 0.00 O ATOM 298 CB LYS A 23 4.711 1.472 -6.450 1.00 0.00 C ATOM 299 CG LYS A 23 5.501 2.695 -6.917 1.00 0.00 C ATOM 300 CD LYS A 23 6.924 2.615 -6.372 1.00 0.00 C ATOM 301 CE LYS A 23 7.814 1.884 -7.379 1.00 0.00 C ATOM 302 NZ LYS A 23 8.684 0.913 -6.658 1.00 0.00 N ATOM 0 H LYS A 23 5.731 1.852 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 23 3.213 2.311 -5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.363 0.598 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.912 1.256 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.518 2.737 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.018 3.608 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.311 3.617 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.930 2.090 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.199 1.363 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.426 2.600 -7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.348 0.477 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.218 1.409 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.094 0.174 -6.225 1.00 0.00 H new ATOM 316 N PHE A 24 2.562 -0.019 -4.435 1.00 0.00 N ATOM 317 CA PHE A 24 2.181 -1.340 -3.861 1.00 0.00 C ATOM 318 C PHE A 24 1.114 -1.973 -4.745 1.00 0.00 C ATOM 319 O PHE A 24 0.437 -1.296 -5.503 1.00 0.00 O ATOM 320 CB PHE A 24 1.642 -1.212 -2.424 1.00 0.00 C ATOM 321 CG PHE A 24 1.643 0.224 -1.987 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.851 0.911 -1.896 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.440 0.870 -1.678 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.868 2.247 -1.502 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.458 2.209 -1.277 1.00 0.00 C ATOM 326 CZ PHE A 24 1.676 2.894 -1.193 1.00 0.00 C ATOM 0 H PHE A 24 1.787 0.533 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 24 3.075 -1.963 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.630 -1.613 -2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.255 -1.805 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.777 0.407 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.497 0.337 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.805 2.780 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.465 2.714 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.690 3.930 -0.887 1.00 0.00 H new ATOM 336 N LYS A 25 0.959 -3.264 -4.659 1.00 0.00 N ATOM 337 CA LYS A 25 -0.061 -3.939 -5.504 1.00 0.00 C ATOM 338 C LYS A 25 -1.150 -4.495 -4.594 1.00 0.00 C ATOM 339 O LYS A 25 -0.886 -4.961 -3.501 1.00 0.00 O ATOM 340 CB LYS A 25 0.595 -5.084 -6.282 1.00 0.00 C ATOM 341 CG LYS A 25 1.565 -4.512 -7.318 1.00 0.00 C ATOM 342 CD LYS A 25 2.939 -5.164 -7.148 1.00 0.00 C ATOM 343 CE LYS A 25 3.646 -5.230 -8.505 1.00 0.00 C ATOM 344 NZ LYS A 25 4.676 -4.155 -8.583 1.00 0.00 N ATOM 0 H LYS A 25 1.492 -3.878 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.491 -3.231 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.127 -5.745 -5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.168 -5.685 -6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.187 -4.693 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.646 -3.432 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.540 -4.592 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.829 -6.167 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.113 -6.206 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.921 -5.113 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.156 -4.200 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.218 -3.227 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.373 -4.287 -7.823 1.00 0.00 H new ATOM 358 N ILE A 26 -2.382 -4.414 -5.018 1.00 0.00 N ATOM 359 CA ILE A 26 -3.488 -4.899 -4.160 1.00 0.00 C ATOM 360 C ILE A 26 -4.084 -6.178 -4.741 1.00 0.00 C ATOM 361 O ILE A 26 -4.095 -6.389 -5.937 1.00 0.00 O ATOM 362 CB ILE A 26 -4.560 -3.818 -4.099 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.886 -2.459 -3.883 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.515 -4.111 -2.946 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.938 -1.417 -3.501 1.00 0.00 C ATOM 0 H ILE A 26 -2.665 -4.033 -5.921 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.110 -5.115 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.123 -3.802 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.134 -2.536 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.368 -2.151 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.282 -3.337 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.987 -5.081 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.960 -4.124 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.455 -0.452 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.673 -1.332 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.436 -1.723 -2.581 1.00 0.00 H new ATOM 377 N HIS A 27 -4.577 -7.034 -3.894 1.00 0.00 N ATOM 378 CA HIS A 27 -5.176 -8.311 -4.380 1.00 0.00 C ATOM 379 C HIS A 27 -6.435 -8.638 -3.572 1.00 0.00 C ATOM 380 O HIS A 27 -6.383 -8.834 -2.370 1.00 0.00 O ATOM 381 CB HIS A 27 -4.183 -9.473 -4.215 1.00 0.00 C ATOM 382 CG HIS A 27 -2.839 -8.959 -3.780 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.135 -8.022 -4.514 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.069 -9.225 -2.674 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.002 -7.753 -3.847 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.908 -8.461 -2.718 1.00 0.00 N ATOM 0 H HIS A 27 -4.592 -6.906 -2.882 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.423 -8.187 -5.434 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.563 -10.182 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.085 -10.012 -5.157 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.424 -7.610 -5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.326 -9.921 -1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.255 -7.048 -4.183 1.00 0.00 H new ATOM 394 N ALA A 28 -7.561 -8.703 -4.224 1.00 0.00 N ATOM 395 CA ALA A 28 -8.827 -9.027 -3.503 1.00 0.00 C ATOM 396 C ALA A 28 -9.272 -10.456 -3.838 1.00 0.00 C ATOM 397 O ALA A 28 -9.234 -10.863 -4.974 1.00 0.00 O ATOM 398 CB ALA A 28 -9.917 -8.055 -3.947 1.00 0.00 C ATOM 0 H ALA A 28 -7.662 -8.546 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.658 -8.943 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.845 -8.286 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.612 -7.035 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.073 -8.149 -5.022 1.00 0.00 H new ATOM 404 N VAL A 29 -9.720 -11.209 -2.862 1.00 0.00 N ATOM 405 CA VAL A 29 -10.199 -12.596 -3.135 1.00 0.00 C ATOM 406 C VAL A 29 -11.651 -12.686 -2.661 1.00 0.00 C ATOM 407 O VAL A 29 -11.988 -12.274 -1.571 1.00 0.00 O ATOM 408 CB VAL A 29 -9.304 -13.615 -2.400 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.151 -14.698 -1.712 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.380 -14.285 -3.418 1.00 0.00 C ATOM 0 H VAL A 29 -9.774 -10.919 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.146 -12.826 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.727 -13.088 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.495 -15.403 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.818 -14.232 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.741 -15.228 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.742 -15.008 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.979 -14.796 -4.172 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.760 -13.529 -3.899 1.00 0.00 H new ATOM 420 N ASP A 30 -12.509 -13.213 -3.476 1.00 0.00 N ATOM 421 CA ASP A 30 -13.940 -13.316 -3.088 1.00 0.00 C ATOM 422 C ASP A 30 -14.272 -14.783 -2.779 1.00 0.00 C ATOM 423 O ASP A 30 -13.398 -15.626 -2.803 1.00 0.00 O ATOM 424 CB ASP A 30 -14.787 -12.759 -4.242 1.00 0.00 C ATOM 425 CG ASP A 30 -15.256 -13.884 -5.172 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.462 -14.770 -5.445 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.400 -13.840 -5.595 1.00 0.00 O ATOM 0 H ASP A 30 -12.283 -13.580 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.156 -12.737 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.651 -12.230 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.204 -12.033 -4.809 1.00 0.00 H new ATOM 432 N PRO A 31 -15.519 -15.044 -2.481 1.00 0.00 N ATOM 433 CA PRO A 31 -15.976 -16.403 -2.142 1.00 0.00 C ATOM 434 C PRO A 31 -16.133 -17.286 -3.389 1.00 0.00 C ATOM 435 O PRO A 31 -16.786 -18.309 -3.345 1.00 0.00 O ATOM 436 CB PRO A 31 -17.326 -16.166 -1.459 1.00 0.00 C ATOM 437 CG PRO A 31 -17.822 -14.781 -1.935 1.00 0.00 C ATOM 438 CD PRO A 31 -16.585 -14.022 -2.450 1.00 0.00 C ATOM 0 HA PRO A 31 -15.263 -16.935 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.038 -16.946 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.221 -16.189 -0.374 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.567 -14.887 -2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.297 -14.238 -1.118 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.760 -13.600 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.323 -13.194 -1.792 1.00 0.00 H new ATOM 446 N ASP A 32 -15.536 -16.924 -4.498 1.00 0.00 N ATOM 447 CA ASP A 32 -15.668 -17.784 -5.709 1.00 0.00 C ATOM 448 C ASP A 32 -14.286 -18.305 -6.109 1.00 0.00 C ATOM 449 O ASP A 32 -14.108 -18.867 -7.172 1.00 0.00 O ATOM 450 CB ASP A 32 -16.252 -16.962 -6.860 1.00 0.00 C ATOM 451 CG ASP A 32 -17.754 -16.775 -6.642 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.496 -17.694 -6.945 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.137 -15.713 -6.178 1.00 0.00 O ATOM 0 H ASP A 32 -14.971 -16.083 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.329 -18.622 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.758 -15.992 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.071 -17.466 -7.809 1.00 0.00 H new ATOM 458 N GLY A 33 -13.299 -18.095 -5.279 1.00 0.00 N ATOM 459 CA GLY A 33 -11.927 -18.547 -5.627 1.00 0.00 C ATOM 460 C GLY A 33 -11.435 -17.617 -6.719 1.00 0.00 C ATOM 461 O GLY A 33 -10.793 -18.020 -7.668 1.00 0.00 O ATOM 0 H GLY A 33 -13.387 -17.630 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.272 -18.505 -4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.934 -19.581 -5.971 1.00 0.00 H new ATOM 465 N VAL A 34 -11.784 -16.367 -6.600 1.00 0.00 N ATOM 466 CA VAL A 34 -11.402 -15.382 -7.632 1.00 0.00 C ATOM 467 C VAL A 34 -11.272 -14.008 -6.985 1.00 0.00 C ATOM 468 O VAL A 34 -11.418 -13.860 -5.788 1.00 0.00 O ATOM 469 CB VAL A 34 -12.514 -15.334 -8.682 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.920 -14.955 -10.036 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.186 -16.710 -8.782 1.00 0.00 C ATOM 0 H VAL A 34 -12.323 -15.988 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.454 -15.662 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.256 -14.590 -8.391 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.712 -14.921 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.446 -13.976 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.177 -15.697 -10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.978 -16.675 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.446 -17.456 -9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.612 -16.978 -7.815 1.00 0.00 H new ATOM 481 N HIS A 35 -11.030 -12.997 -7.765 1.00 0.00 N ATOM 482 CA HIS A 35 -10.930 -11.636 -7.186 1.00 0.00 C ATOM 483 C HIS A 35 -12.300 -10.969 -7.306 1.00 0.00 C ATOM 484 O HIS A 35 -12.450 -9.920 -7.899 1.00 0.00 O ATOM 485 CB HIS A 35 -9.882 -10.823 -7.946 1.00 0.00 C ATOM 486 CG HIS A 35 -8.502 -11.281 -7.550 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.252 -10.870 -7.940 1.00 0.00 N flip ATOM 488 CD2 HIS A 35 -8.294 -12.290 -6.622 1.00 0.00 C flip ATOM 489 CE1 HIS A 35 -6.283 -11.607 -7.268 1.00 0.00 C flip ATOM 490 NE2 HIS A 35 -6.963 -12.447 -6.485 1.00 0.00 N flip ATOM 0 H HIS A 35 -10.898 -13.054 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.629 -11.690 -6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.022 -10.944 -9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.001 -9.762 -7.727 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.059 -12.848 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.211 -11.519 -7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.528 -13.125 -5.859 1.00 0.00 H new ATOM 498 N ARG A 36 -13.307 -11.596 -6.758 1.00 0.00 N ATOM 499 CA ARG A 36 -14.682 -11.041 -6.843 1.00 0.00 C ATOM 500 C ARG A 36 -15.030 -10.829 -8.308 1.00 0.00 C ATOM 501 O ARG A 36 -15.177 -9.712 -8.764 1.00 0.00 O ATOM 502 CB ARG A 36 -14.754 -9.713 -6.097 1.00 0.00 C ATOM 503 CG ARG A 36 -15.902 -9.779 -5.095 1.00 0.00 C ATOM 504 CD ARG A 36 -16.418 -8.367 -4.812 1.00 0.00 C ATOM 505 NE ARG A 36 -17.003 -7.793 -6.056 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.152 -8.228 -6.504 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.863 -9.057 -5.787 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.588 -7.834 -7.669 1.00 0.00 N ATOM 0 H ARG A 36 -13.231 -12.478 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.390 -11.734 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.813 -9.517 -5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.911 -8.893 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.707 -10.399 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.564 -10.246 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.170 -8.394 -4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.604 -7.736 -4.455 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.506 -7.059 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.522 -9.366 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.759 -9.395 -6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.033 -7.187 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.484 -8.173 -8.019 1.00 0.00 H new ATOM 522 N THR A 37 -15.156 -11.895 -9.052 1.00 0.00 N ATOM 523 CA THR A 37 -15.480 -11.753 -10.502 1.00 0.00 C ATOM 524 C THR A 37 -14.657 -10.593 -11.081 1.00 0.00 C ATOM 525 O THR A 37 -15.137 -9.480 -11.185 1.00 0.00 O ATOM 526 CB THR A 37 -16.973 -11.451 -10.664 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.585 -11.388 -9.383 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.630 -12.555 -11.491 1.00 0.00 C ATOM 0 H THR A 37 -15.049 -12.854 -8.721 1.00 0.00 H new ATOM 0 HA THR A 37 -15.241 -12.677 -11.029 1.00 0.00 H new ATOM 0 HB THR A 37 -17.097 -10.495 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.540 -11.193 -9.486 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.692 -12.340 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.161 -12.602 -12.474 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.506 -13.512 -10.984 1.00 0.00 H new ATOM 536 N ASP A 38 -13.418 -10.833 -11.436 1.00 0.00 N ATOM 537 CA ASP A 38 -12.569 -9.736 -11.982 1.00 0.00 C ATOM 538 C ASP A 38 -13.386 -8.860 -12.931 1.00 0.00 C ATOM 539 O ASP A 38 -14.412 -9.267 -13.439 1.00 0.00 O ATOM 540 CB ASP A 38 -11.380 -10.334 -12.735 1.00 0.00 C ATOM 541 CG ASP A 38 -10.105 -9.600 -12.318 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.061 -8.393 -12.489 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.198 -10.255 -11.832 1.00 0.00 O ATOM 0 H ASP A 38 -12.961 -11.742 -11.370 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.208 -9.124 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.291 -11.398 -12.514 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.532 -10.243 -13.811 1.00 0.00 H new ATOM 548 N GLY A 39 -12.938 -7.661 -13.174 1.00 0.00 N ATOM 549 CA GLY A 39 -13.689 -6.761 -14.090 1.00 0.00 C ATOM 550 C GLY A 39 -14.448 -5.703 -13.282 1.00 0.00 C ATOM 551 O GLY A 39 -14.457 -4.540 -13.632 1.00 0.00 O ATOM 0 H GLY A 39 -12.085 -7.266 -12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.000 -6.277 -14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.389 -7.342 -14.691 1.00 0.00 H new ATOM 555 N GLY A 40 -15.098 -6.087 -12.210 1.00 0.00 N ATOM 556 CA GLY A 40 -15.855 -5.079 -11.415 1.00 0.00 C ATOM 557 C GLY A 40 -15.661 -5.315 -9.911 1.00 0.00 C ATOM 558 O GLY A 40 -16.601 -5.613 -9.202 1.00 0.00 O ATOM 0 H GLY A 40 -15.136 -7.043 -11.857 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.519 -4.076 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.915 -5.135 -11.663 1.00 0.00 H new ATOM 562 N ASP A 41 -14.461 -5.169 -9.409 1.00 0.00 N ATOM 563 CA ASP A 41 -14.248 -5.370 -7.946 1.00 0.00 C ATOM 564 C ASP A 41 -14.453 -4.035 -7.233 1.00 0.00 C ATOM 565 O ASP A 41 -13.863 -3.038 -7.596 1.00 0.00 O ATOM 566 CB ASP A 41 -12.819 -5.870 -7.682 1.00 0.00 C ATOM 567 CG ASP A 41 -12.692 -7.323 -8.139 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.712 -7.985 -8.229 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.577 -7.747 -8.394 1.00 0.00 O ATOM 0 H ASP A 41 -13.628 -4.922 -9.943 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.956 -6.111 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.101 -5.247 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.585 -5.790 -6.620 1.00 0.00 H new ATOM 574 N GLY A 42 -15.283 -4.002 -6.223 1.00 0.00 N ATOM 575 CA GLY A 42 -15.509 -2.722 -5.490 1.00 0.00 C ATOM 576 C GLY A 42 -14.214 -2.343 -4.778 1.00 0.00 C ATOM 577 O GLY A 42 -14.129 -2.349 -3.567 1.00 0.00 O ATOM 0 H GLY A 42 -15.812 -4.802 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.806 -1.935 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.319 -2.835 -4.770 1.00 0.00 H new ATOM 581 N PHE A 43 -13.195 -2.045 -5.530 1.00 0.00 N ATOM 582 CA PHE A 43 -11.885 -1.702 -4.922 1.00 0.00 C ATOM 583 C PHE A 43 -11.622 -0.200 -5.011 1.00 0.00 C ATOM 584 O PHE A 43 -11.492 0.360 -6.081 1.00 0.00 O ATOM 585 CB PHE A 43 -10.790 -2.440 -5.687 1.00 0.00 C ATOM 586 CG PHE A 43 -9.932 -3.236 -4.734 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.466 -2.657 -3.548 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.584 -4.552 -5.053 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.653 -3.400 -2.685 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.774 -5.293 -4.192 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.305 -4.717 -3.007 1.00 0.00 C ATOM 0 H PHE A 43 -13.215 -2.024 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.893 -1.993 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.238 -3.105 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.173 -1.726 -6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.733 -1.640 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.944 -4.997 -5.969 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.293 -2.956 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.509 -6.310 -4.440 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.675 -5.288 -2.341 1.00 0.00 H new ATOM 601 N VAL A 44 -11.501 0.442 -3.886 1.00 0.00 N ATOM 602 CA VAL A 44 -11.195 1.898 -3.881 1.00 0.00 C ATOM 603 C VAL A 44 -9.970 2.110 -2.990 1.00 0.00 C ATOM 604 O VAL A 44 -10.020 1.907 -1.794 1.00 0.00 O ATOM 605 CB VAL A 44 -12.400 2.710 -3.351 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.221 1.870 -2.371 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.914 3.979 -2.631 1.00 0.00 C ATOM 0 H VAL A 44 -11.601 0.019 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.993 2.244 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 44 -13.021 2.987 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.065 2.456 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.590 0.978 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.594 1.577 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.773 4.540 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.277 3.700 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.347 4.598 -3.327 1.00 0.00 H new ATOM 617 N VAL A 45 -8.873 2.516 -3.562 1.00 0.00 N ATOM 618 CA VAL A 45 -7.653 2.739 -2.744 1.00 0.00 C ATOM 619 C VAL A 45 -7.206 4.183 -2.911 1.00 0.00 C ATOM 620 O VAL A 45 -7.412 4.792 -3.942 1.00 0.00 O ATOM 621 CB VAL A 45 -6.546 1.788 -3.196 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.384 1.843 -2.202 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.096 0.362 -3.258 1.00 0.00 C ATOM 0 H VAL A 45 -8.769 2.703 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.870 2.545 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.192 2.087 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.595 1.164 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.992 2.859 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.736 1.545 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.308 -0.318 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.450 0.065 -2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.923 0.321 -3.967 1.00 0.00 H new ATOM 633 N THR A 46 -6.612 4.749 -1.902 1.00 0.00 N ATOM 634 CA THR A 46 -6.180 6.163 -2.014 1.00 0.00 C ATOM 635 C THR A 46 -5.066 6.474 -1.018 1.00 0.00 C ATOM 636 O THR A 46 -5.194 6.276 0.175 1.00 0.00 O ATOM 637 CB THR A 46 -7.374 7.080 -1.735 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.509 6.292 -1.409 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.672 7.921 -2.976 1.00 0.00 C ATOM 0 H THR A 46 -6.409 4.296 -1.011 1.00 0.00 H new ATOM 0 HA THR A 46 -5.802 6.330 -3.023 1.00 0.00 H new ATOM 0 HB THR A 46 -7.139 7.740 -0.900 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.273 6.878 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.522 8.574 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.800 8.526 -3.224 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.907 7.264 -3.813 1.00 0.00 H new ATOM 647 N ILE A 47 -3.986 6.999 -1.516 1.00 0.00 N ATOM 648 CA ILE A 47 -2.846 7.386 -0.645 1.00 0.00 C ATOM 649 C ILE A 47 -2.629 8.883 -0.777 1.00 0.00 C ATOM 650 O ILE A 47 -2.977 9.484 -1.773 1.00 0.00 O ATOM 651 CB ILE A 47 -1.556 6.678 -1.081 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.468 5.281 -0.444 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.334 7.524 -0.665 1.00 0.00 C ATOM 654 CD1 ILE A 47 -0.026 5.041 0.019 1.00 0.00 C ATOM 0 H ILE A 47 -3.842 7.180 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.078 7.103 0.382 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.565 6.565 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.153 5.207 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.766 4.518 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.581 7.019 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.389 8.502 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.330 7.649 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.051 4.053 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.646 5.100 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.252 5.799 0.751 1.00 0.00 H new ATOM 666 N GLU A 48 -2.016 9.484 0.196 1.00 0.00 N ATOM 667 CA GLU A 48 -1.742 10.934 0.072 1.00 0.00 C ATOM 668 C GLU A 48 -0.824 11.401 1.202 1.00 0.00 C ATOM 669 O GLU A 48 -0.774 10.823 2.274 1.00 0.00 O ATOM 670 CB GLU A 48 -3.057 11.724 0.108 1.00 0.00 C ATOM 671 CG GLU A 48 -4.122 10.927 0.870 1.00 0.00 C ATOM 672 CD GLU A 48 -4.971 11.881 1.714 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.396 12.621 2.494 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.182 11.853 1.567 1.00 0.00 O ATOM 0 H GLU A 48 -1.697 9.043 1.059 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.245 11.113 -0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.899 12.689 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.398 11.926 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.756 10.384 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.646 10.184 1.510 1.00 0.00 H new ATOM 681 N GLY A 49 -0.096 12.453 0.952 1.00 0.00 N ATOM 682 CA GLY A 49 0.839 13.005 1.970 1.00 0.00 C ATOM 683 C GLY A 49 1.166 14.452 1.594 1.00 0.00 C ATOM 684 O GLY A 49 0.525 15.021 0.732 1.00 0.00 O ATOM 0 H GLY A 49 -0.110 12.962 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.387 12.964 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.751 12.409 2.010 1.00 0.00 H new ATOM 688 N PRO A 50 2.151 15.007 2.246 1.00 0.00 N ATOM 689 CA PRO A 50 2.580 16.393 1.990 1.00 0.00 C ATOM 690 C PRO A 50 3.374 16.464 0.681 1.00 0.00 C ATOM 691 O PRO A 50 4.580 16.616 0.680 1.00 0.00 O ATOM 692 CB PRO A 50 3.464 16.725 3.196 1.00 0.00 C ATOM 693 CG PRO A 50 3.943 15.370 3.767 1.00 0.00 C ATOM 694 CD PRO A 50 2.935 14.308 3.284 1.00 0.00 C ATOM 0 HA PRO A 50 1.751 17.092 1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.311 17.343 2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.906 17.287 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.949 15.136 3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.982 15.400 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.441 13.432 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.299 13.961 4.099 1.00 0.00 H new ATOM 702 N ALA A 51 2.704 16.345 -0.435 1.00 0.00 N ATOM 703 CA ALA A 51 3.413 16.395 -1.743 1.00 0.00 C ATOM 704 C ALA A 51 2.423 16.792 -2.843 1.00 0.00 C ATOM 705 O ALA A 51 1.254 16.990 -2.580 1.00 0.00 O ATOM 706 CB ALA A 51 3.994 15.014 -2.050 1.00 0.00 C ATOM 0 H ALA A 51 1.694 16.215 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 51 4.218 17.129 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.515 15.043 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.694 14.731 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.187 14.282 -2.098 1.00 0.00 H new ATOM 712 N PRO A 52 2.924 16.895 -4.050 1.00 0.00 N ATOM 713 CA PRO A 52 2.105 17.265 -5.219 1.00 0.00 C ATOM 714 C PRO A 52 1.288 16.064 -5.710 1.00 0.00 C ATOM 715 O PRO A 52 0.078 16.118 -5.795 1.00 0.00 O ATOM 716 CB PRO A 52 3.143 17.683 -6.264 1.00 0.00 C ATOM 717 CG PRO A 52 4.474 17.007 -5.854 1.00 0.00 C ATOM 718 CD PRO A 52 4.349 16.655 -4.360 1.00 0.00 C ATOM 0 HA PRO A 52 1.382 18.051 -5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.838 17.367 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.251 18.767 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.653 16.111 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.317 17.677 -6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.629 15.619 -4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.000 17.279 -3.748 1.00 0.00 H new ATOM 726 N VAL A 53 1.943 14.981 -6.029 1.00 0.00 N ATOM 727 CA VAL A 53 1.205 13.778 -6.509 1.00 0.00 C ATOM 728 C VAL A 53 0.831 12.912 -5.303 1.00 0.00 C ATOM 729 O VAL A 53 1.441 11.891 -5.052 1.00 0.00 O ATOM 730 CB VAL A 53 2.107 12.972 -7.449 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.244 12.172 -8.427 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.011 13.928 -8.233 1.00 0.00 C ATOM 0 H VAL A 53 2.956 14.877 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 53 0.304 14.084 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 53 2.720 12.288 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.887 11.599 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.600 11.491 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.629 12.855 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.653 13.355 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.396 14.612 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.628 14.498 -7.538 1.00 0.00 H new ATOM 742 N ASP A 54 -0.150 13.315 -4.538 1.00 0.00 N ATOM 743 CA ASP A 54 -0.526 12.513 -3.343 1.00 0.00 C ATOM 744 C ASP A 54 -1.582 11.451 -3.703 1.00 0.00 C ATOM 745 O ASP A 54 -1.454 10.314 -3.298 1.00 0.00 O ATOM 746 CB ASP A 54 -1.064 13.444 -2.247 1.00 0.00 C ATOM 747 CG ASP A 54 0.069 14.333 -1.725 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.167 13.827 -1.560 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.183 15.506 -1.496 1.00 0.00 O ATOM 0 H ASP A 54 -0.702 14.159 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 54 0.361 11.996 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.870 14.061 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.484 12.856 -1.431 1.00 0.00 H new ATOM 754 N PRO A 55 -2.596 11.839 -4.446 1.00 0.00 N ATOM 755 CA PRO A 55 -3.675 10.913 -4.846 1.00 0.00 C ATOM 756 C PRO A 55 -3.248 10.077 -6.058 1.00 0.00 C ATOM 757 O PRO A 55 -3.385 10.503 -7.187 1.00 0.00 O ATOM 758 CB PRO A 55 -4.822 11.849 -5.231 1.00 0.00 C ATOM 759 CG PRO A 55 -4.174 13.209 -5.588 1.00 0.00 C ATOM 760 CD PRO A 55 -2.768 13.214 -4.957 1.00 0.00 C ATOM 0 HA PRO A 55 -3.939 10.206 -4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.381 11.451 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.527 11.959 -4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.113 13.336 -6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.773 14.035 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.003 13.465 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.694 13.949 -4.156 1.00 0.00 H new ATOM 768 N VAL A 56 -2.717 8.901 -5.844 1.00 0.00 N ATOM 769 CA VAL A 56 -2.280 8.082 -6.995 1.00 0.00 C ATOM 770 C VAL A 56 -2.760 6.642 -6.852 1.00 0.00 C ATOM 771 O VAL A 56 -2.066 5.803 -6.314 1.00 0.00 O ATOM 772 CB VAL A 56 -0.774 8.062 -7.015 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.298 7.587 -8.391 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.239 9.469 -6.741 1.00 0.00 C ATOM 0 H VAL A 56 -2.571 8.481 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.694 8.511 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.404 7.384 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.792 7.570 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.681 6.584 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.666 8.268 -9.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.851 9.453 -6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.602 10.152 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.584 9.805 -5.763 1.00 0.00 H new ATOM 784 N MET A 57 -3.917 6.334 -7.346 1.00 0.00 N ATOM 785 CA MET A 57 -4.391 4.930 -7.247 1.00 0.00 C ATOM 786 C MET A 57 -5.060 4.518 -8.558 1.00 0.00 C ATOM 787 O MET A 57 -5.820 5.265 -9.143 1.00 0.00 O ATOM 788 CB MET A 57 -5.361 4.787 -6.072 1.00 0.00 C ATOM 789 CG MET A 57 -6.700 5.438 -6.424 1.00 0.00 C ATOM 790 SD MET A 57 -7.959 4.152 -6.631 1.00 0.00 S ATOM 791 CE MET A 57 -8.268 4.420 -8.394 1.00 0.00 C ATOM 0 H MET A 57 -4.552 6.983 -7.810 1.00 0.00 H new ATOM 0 HA MET A 57 -3.540 4.272 -7.070 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.509 3.733 -5.837 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.941 5.256 -5.182 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.998 6.131 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.604 6.019 -7.341 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.326 4.264 -8.606 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.991 5.440 -8.661 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.674 3.718 -8.978 1.00 0.00 H new ATOM 801 N VAL A 58 -4.761 3.339 -9.035 1.00 0.00 N ATOM 802 CA VAL A 58 -5.357 2.886 -10.323 1.00 0.00 C ATOM 803 C VAL A 58 -5.819 1.429 -10.211 1.00 0.00 C ATOM 804 O VAL A 58 -5.328 0.662 -9.398 1.00 0.00 O ATOM 805 CB VAL A 58 -4.321 2.983 -11.447 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.995 3.502 -12.718 1.00 0.00 C ATOM 807 CG2 VAL A 58 -3.192 3.940 -11.047 1.00 0.00 C ATOM 0 H VAL A 58 -4.131 2.672 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.209 3.527 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.902 1.993 -11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.258 3.571 -13.518 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.789 2.817 -13.014 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.419 4.488 -12.528 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.462 4.000 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.605 4.931 -10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.705 3.571 -10.145 1.00 0.00 H new ATOM 817 N ASP A 59 -6.753 1.045 -11.040 1.00 0.00 N ATOM 818 CA ASP A 59 -7.263 -0.354 -11.019 1.00 0.00 C ATOM 819 C ASP A 59 -6.768 -1.091 -12.266 1.00 0.00 C ATOM 820 O ASP A 59 -6.882 -0.600 -13.372 1.00 0.00 O ATOM 821 CB ASP A 59 -8.793 -0.331 -11.019 1.00 0.00 C ATOM 822 CG ASP A 59 -9.324 -1.743 -11.276 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.644 -2.687 -10.909 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.404 -1.856 -11.834 1.00 0.00 O ATOM 0 H ASP A 59 -7.188 1.649 -11.738 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.903 -0.864 -10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.162 0.039 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.157 0.351 -11.787 1.00 0.00 H new ATOM 829 N ASN A 60 -6.211 -2.260 -12.101 1.00 0.00 N ATOM 830 CA ASN A 60 -5.703 -3.012 -13.287 1.00 0.00 C ATOM 831 C ASN A 60 -6.801 -3.904 -13.870 1.00 0.00 C ATOM 832 O ASN A 60 -6.608 -4.554 -14.879 1.00 0.00 O ATOM 833 CB ASN A 60 -4.509 -3.871 -12.870 1.00 0.00 C ATOM 834 CG ASN A 60 -3.248 -3.369 -13.577 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.522 -2.554 -13.044 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.957 -3.824 -14.765 1.00 0.00 N ATOM 0 H ASN A 60 -6.086 -2.726 -11.202 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.395 -2.298 -14.051 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.375 -3.826 -11.789 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.691 -4.915 -13.126 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.120 -3.495 -15.246 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.567 -4.508 -15.212 1.00 0.00 H new ATOM 843 N GLY A 61 -7.953 -3.938 -13.262 1.00 0.00 N ATOM 844 CA GLY A 61 -9.045 -4.782 -13.810 1.00 0.00 C ATOM 845 C GLY A 61 -8.657 -6.259 -13.720 1.00 0.00 C ATOM 846 O GLY A 61 -9.318 -7.117 -14.270 1.00 0.00 O ATOM 0 H GLY A 61 -8.183 -3.420 -12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.967 -4.605 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.240 -4.511 -14.848 1.00 0.00 H new ATOM 850 N ASP A 62 -7.590 -6.564 -13.033 1.00 0.00 N ATOM 851 CA ASP A 62 -7.163 -7.987 -12.909 1.00 0.00 C ATOM 852 C ASP A 62 -7.355 -8.451 -11.462 1.00 0.00 C ATOM 853 O ASP A 62 -6.577 -9.225 -10.939 1.00 0.00 O ATOM 854 CB ASP A 62 -5.687 -8.110 -13.292 1.00 0.00 C ATOM 855 CG ASP A 62 -4.846 -7.232 -12.362 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.432 -6.489 -11.592 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.632 -7.317 -12.436 1.00 0.00 O ATOM 0 H ASP A 62 -6.995 -5.889 -12.552 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.764 -8.608 -13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.366 -9.149 -13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.542 -7.805 -14.328 1.00 0.00 H new ATOM 862 N GLY A 63 -8.383 -7.980 -10.808 1.00 0.00 N ATOM 863 CA GLY A 63 -8.622 -8.388 -9.393 1.00 0.00 C ATOM 864 C GLY A 63 -7.506 -7.831 -8.504 1.00 0.00 C ATOM 865 O GLY A 63 -7.411 -8.148 -7.330 1.00 0.00 O ATOM 0 H GLY A 63 -9.068 -7.330 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.590 -8.017 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.653 -9.475 -9.317 1.00 0.00 H new ATOM 869 N THR A 64 -6.662 -7.001 -9.055 1.00 0.00 N ATOM 870 CA THR A 64 -5.554 -6.419 -8.256 1.00 0.00 C ATOM 871 C THR A 64 -5.432 -4.933 -8.579 1.00 0.00 C ATOM 872 O THR A 64 -5.754 -4.498 -9.667 1.00 0.00 O ATOM 873 CB THR A 64 -4.243 -7.116 -8.604 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.836 -6.732 -9.910 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.434 -8.632 -8.549 1.00 0.00 C ATOM 0 H THR A 64 -6.695 -6.702 -10.030 1.00 0.00 H new ATOM 0 HA THR A 64 -5.764 -6.555 -7.195 1.00 0.00 H new ATOM 0 HB THR A 64 -3.477 -6.826 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.500 -6.122 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.495 -9.126 -8.798 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.742 -8.924 -7.545 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.201 -8.928 -9.264 1.00 0.00 H new ATOM 883 N TYR A 65 -4.988 -4.146 -7.642 1.00 0.00 N ATOM 884 CA TYR A 65 -4.871 -2.688 -7.905 1.00 0.00 C ATOM 885 C TYR A 65 -3.459 -2.201 -7.599 1.00 0.00 C ATOM 886 O TYR A 65 -2.743 -2.788 -6.812 1.00 0.00 O ATOM 887 CB TYR A 65 -5.886 -1.952 -7.037 1.00 0.00 C ATOM 888 CG TYR A 65 -7.260 -2.372 -7.479 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.652 -3.711 -7.361 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.129 -1.436 -8.037 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.912 -4.109 -7.799 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.389 -1.834 -8.480 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.785 -3.171 -8.364 1.00 0.00 C ATOM 894 OH TYR A 65 -11.030 -3.563 -8.807 1.00 0.00 O ATOM 0 H TYR A 65 -4.702 -4.447 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.073 -2.489 -8.957 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.734 -2.192 -5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.765 -0.874 -7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.977 -4.435 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.826 -0.403 -8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.216 -5.141 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.061 -1.109 -8.914 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.507 -2.788 -9.170 1.00 0.00 H new ATOM 904 N ASP A 66 -3.051 -1.130 -8.225 1.00 0.00 N ATOM 905 CA ASP A 66 -1.683 -0.606 -7.980 1.00 0.00 C ATOM 906 C ASP A 66 -1.772 0.864 -7.584 1.00 0.00 C ATOM 907 O ASP A 66 -2.338 1.675 -8.291 1.00 0.00 O ATOM 908 CB ASP A 66 -0.851 -0.743 -9.257 1.00 0.00 C ATOM 909 CG ASP A 66 0.637 -0.752 -8.901 1.00 0.00 C ATOM 910 OD1 ASP A 66 0.954 -1.071 -7.768 1.00 0.00 O ATOM 911 OD2 ASP A 66 1.435 -0.441 -9.770 1.00 0.00 O ATOM 0 H ASP A 66 -3.608 -0.598 -8.894 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.210 -1.172 -7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.116 -1.662 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.068 0.082 -9.935 1.00 0.00 H new ATOM 916 N VAL A 67 -1.218 1.217 -6.461 1.00 0.00 N ATOM 917 CA VAL A 67 -1.273 2.638 -6.030 1.00 0.00 C ATOM 918 C VAL A 67 0.168 3.154 -5.897 1.00 0.00 C ATOM 919 O VAL A 67 1.049 2.418 -5.492 1.00 0.00 O ATOM 920 CB VAL A 67 -2.030 2.726 -4.703 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.226 1.773 -4.738 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.133 2.319 -3.561 1.00 0.00 C ATOM 0 H VAL A 67 -0.731 0.586 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.800 3.255 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.363 3.754 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.767 1.834 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.890 2.053 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.874 0.753 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.685 2.386 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.796 1.293 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.269 2.983 -3.522 1.00 0.00 H new ATOM 932 N GLU A 68 0.443 4.391 -6.260 1.00 0.00 N ATOM 933 CA GLU A 68 1.867 4.864 -6.172 1.00 0.00 C ATOM 934 C GLU A 68 1.984 6.369 -5.925 1.00 0.00 C ATOM 935 O GLU A 68 1.507 7.167 -6.683 1.00 0.00 O ATOM 936 CB GLU A 68 2.582 4.594 -7.497 1.00 0.00 C ATOM 937 CG GLU A 68 2.084 3.291 -8.129 1.00 0.00 C ATOM 938 CD GLU A 68 0.796 3.558 -8.914 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.169 4.573 -8.660 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.460 2.743 -9.756 1.00 0.00 O ATOM 0 H GLU A 68 -0.233 5.073 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 68 2.309 4.324 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.412 5.424 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.657 4.534 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.847 2.882 -8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.902 2.546 -7.354 1.00 0.00 H new ATOM 947 N PHE A 69 2.719 6.759 -4.931 1.00 0.00 N ATOM 948 CA PHE A 69 2.944 8.217 -4.702 1.00 0.00 C ATOM 949 C PHE A 69 4.453 8.415 -4.477 1.00 0.00 C ATOM 950 O PHE A 69 5.161 7.487 -4.112 1.00 0.00 O ATOM 951 CB PHE A 69 2.126 8.744 -3.504 1.00 0.00 C ATOM 952 CG PHE A 69 2.624 8.140 -2.232 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.573 6.759 -2.046 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.130 8.970 -1.232 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.031 6.208 -0.851 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.587 8.418 -0.040 1.00 0.00 C ATOM 957 CZ PHE A 69 3.536 7.032 0.145 1.00 0.00 C ATOM 0 H PHE A 69 3.176 6.137 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 69 2.606 8.787 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.201 9.830 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.072 8.504 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.181 6.120 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.167 10.039 -1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.993 5.139 -0.700 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.979 9.056 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.892 6.601 1.069 1.00 0.00 H new ATOM 967 N GLU A 70 4.973 9.588 -4.730 1.00 0.00 N ATOM 968 CA GLU A 70 6.443 9.789 -4.558 1.00 0.00 C ATOM 969 C GLU A 70 6.740 11.252 -4.179 1.00 0.00 C ATOM 970 O GLU A 70 6.832 12.105 -5.040 1.00 0.00 O ATOM 971 CB GLU A 70 7.140 9.450 -5.875 1.00 0.00 C ATOM 972 CG GLU A 70 8.656 9.461 -5.674 1.00 0.00 C ATOM 973 CD GLU A 70 9.347 9.116 -6.995 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.495 10.008 -7.813 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.715 7.966 -7.165 1.00 0.00 O ATOM 0 H GLU A 70 4.451 10.406 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 70 6.809 9.142 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.817 8.470 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.860 10.172 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.981 10.442 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.937 8.741 -4.905 1.00 0.00 H new ATOM 982 N PRO A 71 6.877 11.493 -2.897 1.00 0.00 N ATOM 983 CA PRO A 71 7.160 12.842 -2.353 1.00 0.00 C ATOM 984 C PRO A 71 8.655 13.198 -2.462 1.00 0.00 C ATOM 985 O PRO A 71 9.466 12.402 -2.891 1.00 0.00 O ATOM 986 CB PRO A 71 6.750 12.717 -0.883 1.00 0.00 C ATOM 987 CG PRO A 71 6.813 11.210 -0.535 1.00 0.00 C ATOM 988 CD PRO A 71 6.747 10.443 -1.867 1.00 0.00 C ATOM 0 HA PRO A 71 6.631 13.628 -2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.420 13.291 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.745 13.110 -0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.733 10.975 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.984 10.928 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.549 9.709 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.807 9.900 -1.968 1.00 0.00 H new ATOM 996 N LYS A 72 9.016 14.400 -2.069 1.00 0.00 N ATOM 997 CA LYS A 72 10.452 14.831 -2.138 1.00 0.00 C ATOM 998 C LYS A 72 10.829 15.629 -0.881 1.00 0.00 C ATOM 999 O LYS A 72 11.651 16.521 -0.935 1.00 0.00 O ATOM 1000 CB LYS A 72 10.660 15.723 -3.357 1.00 0.00 C ATOM 1001 CG LYS A 72 10.272 14.963 -4.626 1.00 0.00 C ATOM 1002 CD LYS A 72 8.874 15.393 -5.073 1.00 0.00 C ATOM 1003 CE LYS A 72 8.512 14.677 -6.375 1.00 0.00 C ATOM 1004 NZ LYS A 72 7.672 15.572 -7.219 1.00 0.00 N ATOM 0 H LYS A 72 8.375 15.103 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 72 11.078 13.941 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.058 16.627 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.702 16.038 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.995 15.162 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.291 13.889 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.144 15.155 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.843 16.473 -5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.418 14.398 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.974 13.755 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.426 15.084 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.801 15.817 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.201 16.440 -7.437 1.00 0.00 H new ATOM 1018 N GLU A 73 10.248 15.329 0.251 1.00 0.00 N ATOM 1019 CA GLU A 73 10.600 16.071 1.482 1.00 0.00 C ATOM 1020 C GLU A 73 10.353 15.158 2.681 1.00 0.00 C ATOM 1021 O GLU A 73 10.177 13.966 2.540 1.00 0.00 O ATOM 1022 CB GLU A 73 9.718 17.319 1.581 1.00 0.00 C ATOM 1023 CG GLU A 73 8.253 16.900 1.728 1.00 0.00 C ATOM 1024 CD GLU A 73 7.499 17.957 2.538 1.00 0.00 C ATOM 1025 OE1 GLU A 73 7.576 19.119 2.176 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.858 17.585 3.508 1.00 0.00 O ATOM 0 H GLU A 73 9.545 14.600 0.369 1.00 0.00 H new ATOM 0 HA GLU A 73 11.646 16.376 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.021 17.925 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.843 17.937 0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.796 16.785 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.189 15.932 2.224 1.00 0.00 H new ATOM 1033 N ALA A 74 10.297 15.714 3.850 1.00 0.00 N ATOM 1034 CA ALA A 74 10.010 14.891 5.056 1.00 0.00 C ATOM 1035 C ALA A 74 8.492 14.873 5.214 1.00 0.00 C ATOM 1036 O ALA A 74 7.861 15.907 5.312 1.00 0.00 O ATOM 1037 CB ALA A 74 10.670 15.517 6.287 1.00 0.00 C ATOM 0 H ALA A 74 10.438 16.708 4.028 1.00 0.00 H new ATOM 0 HA ALA A 74 10.404 13.880 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.454 14.908 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.748 15.567 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.278 16.523 6.438 1.00 0.00 H new ATOM 1043 N GLY A 75 7.887 13.721 5.169 1.00 0.00 N ATOM 1044 CA GLY A 75 6.403 13.677 5.239 1.00 0.00 C ATOM 1045 C GLY A 75 5.914 12.300 5.675 1.00 0.00 C ATOM 1046 O GLY A 75 6.630 11.324 5.631 1.00 0.00 O ATOM 0 H GLY A 75 8.351 12.816 5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.047 14.432 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.982 13.924 4.264 1.00 0.00 H new ATOM 1050 N ASP A 76 4.686 12.226 6.093 1.00 0.00 N ATOM 1051 CA ASP A 76 4.110 10.929 6.531 1.00 0.00 C ATOM 1052 C ASP A 76 3.048 10.534 5.519 1.00 0.00 C ATOM 1053 O ASP A 76 2.551 11.354 4.771 1.00 0.00 O ATOM 1054 CB ASP A 76 3.470 11.082 7.914 1.00 0.00 C ATOM 1055 CG ASP A 76 2.457 12.229 7.888 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.817 12.405 6.865 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.337 12.911 8.893 1.00 0.00 O ATOM 0 H ASP A 76 4.048 13.020 6.151 1.00 0.00 H new ATOM 0 HA ASP A 76 4.888 10.168 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.976 10.154 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.238 11.279 8.661 1.00 0.00 H new ATOM 1062 N TYR A 77 2.730 9.281 5.450 1.00 0.00 N ATOM 1063 CA TYR A 77 1.740 8.836 4.440 1.00 0.00 C ATOM 1064 C TYR A 77 0.475 8.360 5.106 1.00 0.00 C ATOM 1065 O TYR A 77 0.492 7.614 6.059 1.00 0.00 O ATOM 1066 CB TYR A 77 2.271 7.641 3.663 1.00 0.00 C ATOM 1067 CG TYR A 77 3.687 7.862 3.245 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.139 9.147 2.961 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.532 6.765 3.098 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.449 9.338 2.522 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.842 6.949 2.664 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.306 8.238 2.371 1.00 0.00 C ATOM 1073 OH TYR A 77 7.603 8.424 1.937 1.00 0.00 O ATOM 0 H TYR A 77 3.110 8.546 6.046 1.00 0.00 H new ATOM 0 HA TYR A 77 1.551 9.689 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.205 6.744 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.651 7.470 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.478 9.993 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.171 5.772 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.804 10.333 2.298 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.499 6.099 2.553 1.00 0.00 H new ATOM 0 HH TYR A 77 8.024 7.553 1.782 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.622 8.728 4.540 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.920 8.246 5.045 1.00 0.00 C ATOM 1085 C VAL A 78 -2.447 7.373 3.937 1.00 0.00 C ATOM 1086 O VAL A 78 -2.440 7.757 2.777 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.863 9.401 5.328 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.700 10.464 4.245 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.303 8.888 5.349 1.00 0.00 C ATOM 0 H VAL A 78 -0.677 9.353 3.735 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.824 7.708 5.988 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.628 9.841 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.376 11.295 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.672 10.826 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.935 10.032 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.981 9.717 5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.547 8.448 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.409 8.133 6.128 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.813 6.179 4.243 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.226 5.283 3.141 1.00 0.00 C ATOM 1101 C ILE A 79 -4.682 4.841 3.295 1.00 0.00 C ATOM 1102 O ILE A 79 -5.274 4.932 4.344 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.193 4.144 3.110 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -2.700 2.936 2.359 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -1.826 3.729 4.535 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.619 2.444 1.396 1.00 0.00 C ATOM 0 H ILE A 79 -2.847 5.785 5.183 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.225 5.781 2.171 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.314 4.523 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.966 2.144 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.605 3.191 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.094 2.922 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.402 4.582 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.720 3.387 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.984 1.572 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.375 3.236 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.726 2.173 1.959 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.288 4.443 2.212 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.726 4.058 2.253 1.00 0.00 C ATOM 1120 C ASN A 80 -7.033 3.030 1.165 1.00 0.00 C ATOM 1121 O ASN A 80 -6.977 3.311 -0.011 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.583 5.291 2.006 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.041 6.471 2.814 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.389 6.644 3.965 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -6.197 7.297 2.257 1.00 0.00 N ATOM 0 H ASN A 80 -4.847 4.367 1.295 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.944 3.629 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.585 5.536 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.616 5.089 2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.830 8.087 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.904 7.152 1.291 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.376 1.846 1.567 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.720 0.775 0.599 1.00 0.00 C ATOM 1134 C LEU A 81 -9.014 0.147 1.075 1.00 0.00 C ATOM 1135 O LEU A 81 -9.171 -0.132 2.244 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.619 -0.286 0.550 1.00 0.00 C ATOM 1137 CG LEU A 81 -7.195 -1.604 0.043 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -6.091 -2.408 -0.621 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.758 -2.394 1.219 1.00 0.00 C ATOM 0 H LEU A 81 -7.434 1.568 2.547 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.825 1.190 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.812 0.044 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.189 -0.424 1.542 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.989 -1.406 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.497 -3.352 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.681 -1.842 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.301 -2.608 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.171 -3.337 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.962 -2.596 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.544 -1.815 1.703 1.00 0.00 H new ATOM 1151 N THR A 82 -9.942 -0.051 0.193 1.00 0.00 N ATOM 1152 CA THR A 82 -11.248 -0.626 0.619 1.00 0.00 C ATOM 1153 C THR A 82 -11.811 -1.568 -0.441 1.00 0.00 C ATOM 1154 O THR A 82 -11.804 -1.278 -1.620 1.00 0.00 O ATOM 1155 CB THR A 82 -12.215 0.541 0.840 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.017 1.528 -0.167 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.951 1.165 2.206 1.00 0.00 C ATOM 0 H THR A 82 -9.859 0.158 -0.802 1.00 0.00 H new ATOM 0 HA THR A 82 -11.113 -1.205 1.532 1.00 0.00 H new ATOM 0 HB THR A 82 -13.239 0.171 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.324 1.225 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.638 1.996 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.101 0.416 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.925 1.530 2.247 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.317 -2.698 -0.016 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.906 -3.664 -1.003 1.00 0.00 C ATOM 1167 C LEU A 83 -14.202 -4.250 -0.442 1.00 0.00 C ATOM 1168 O LEU A 83 -14.228 -5.380 -0.013 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.916 -4.807 -1.289 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.371 -5.625 -2.519 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.493 -6.583 -2.112 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.900 -4.684 -3.604 1.00 0.00 C ATOM 0 H LEU A 83 -12.350 -2.995 0.959 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.114 -3.130 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.921 -4.398 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.843 -5.459 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.519 -6.187 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.813 -7.159 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.130 -7.262 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.337 -6.012 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.219 -5.267 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.747 -4.120 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.111 -3.994 -3.903 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.263 -3.471 -0.445 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.599 -3.930 0.071 1.00 0.00 C ATOM 1186 C ASP A 84 -17.260 -2.774 0.812 1.00 0.00 C ATOM 1187 O ASP A 84 -18.456 -2.754 1.026 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.490 -5.139 1.011 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.442 -6.430 0.185 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.238 -6.554 -0.730 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.608 -7.269 0.483 1.00 0.00 O ATOM 0 H ASP A 84 -15.258 -2.512 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.195 -4.243 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.594 -5.055 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.342 -5.162 1.691 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.475 -1.821 1.234 1.00 0.00 N ATOM 1197 CA GLY A 85 -17.029 -0.675 1.993 1.00 0.00 C ATOM 1198 C GLY A 85 -16.179 -0.463 3.251 1.00 0.00 C ATOM 1199 O GLY A 85 -16.434 0.431 4.035 1.00 0.00 O ATOM 0 H GLY A 85 -15.467 -1.791 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.024 0.224 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.066 -0.868 2.266 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.158 -1.266 3.446 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.294 -1.089 4.637 1.00 0.00 C ATOM 1205 C ASP A 86 -12.855 -1.025 4.145 1.00 0.00 C ATOM 1206 O ASP A 86 -12.600 -1.198 2.974 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.468 -2.279 5.585 1.00 0.00 C ATOM 1208 CG ASP A 86 -13.851 -3.529 4.954 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.623 -3.513 3.755 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -13.618 -4.482 5.680 1.00 0.00 O ATOM 0 H ASP A 86 -14.894 -2.033 2.827 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.559 -0.180 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.990 -2.068 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.526 -2.445 5.787 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.909 -0.780 5.004 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.504 -0.712 4.525 1.00 0.00 C ATOM 1217 C ASN A 87 -9.698 -1.842 5.137 1.00 0.00 C ATOM 1218 O ASN A 87 -10.095 -2.452 6.109 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.876 0.636 4.905 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.642 1.266 6.073 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.584 0.711 7.253 1.00 0.00 O flip ATOM 1222 ND2 ASN A 87 -11.300 2.274 5.910 1.00 0.00 N flip ATOM 0 H ASN A 87 -12.044 -0.626 6.003 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.498 -0.810 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.831 0.494 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.891 1.307 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.347 2.709 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.806 2.685 6.694 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.570 -2.136 4.562 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.743 -3.249 5.107 1.00 0.00 C ATOM 1231 C VAL A 88 -7.225 -2.857 6.506 1.00 0.00 C ATOM 1232 O VAL A 88 -7.375 -1.729 6.933 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.570 -3.524 4.153 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.429 -4.233 4.889 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.056 -4.424 3.019 1.00 0.00 C ATOM 0 H VAL A 88 -8.185 -1.661 3.746 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.343 -4.155 5.195 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.204 -2.574 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.609 -4.418 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.078 -3.604 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.788 -5.182 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.231 -4.626 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.423 -5.364 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.861 -3.926 2.479 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.645 -3.783 7.235 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.155 -3.463 8.615 1.00 0.00 C ATOM 1247 C ASN A 89 -4.766 -2.815 8.578 1.00 0.00 C ATOM 1248 O ASN A 89 -4.015 -2.882 9.532 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.090 -4.749 9.439 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.602 -4.476 10.855 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -7.791 -4.526 11.103 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -5.750 -4.190 11.800 1.00 0.00 N ATOM 0 H ASN A 89 -6.490 -4.745 6.934 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.850 -2.756 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.691 -5.526 8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.065 -5.118 9.477 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.081 -4.008 12.747 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.752 -4.148 11.592 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.428 -2.177 7.501 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.098 -1.503 7.401 1.00 0.00 C ATOM 1261 C GLY A 90 -3.249 -0.310 6.461 1.00 0.00 C ATOM 1262 O GLY A 90 -2.330 0.078 5.767 1.00 0.00 O ATOM 0 H GLY A 90 -5.017 -2.089 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.761 -1.174 8.384 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.346 -2.195 7.022 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.432 0.238 6.402 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.696 1.366 5.473 1.00 0.00 C ATOM 1268 C PHE A 91 -5.152 2.637 6.182 1.00 0.00 C ATOM 1269 O PHE A 91 -4.594 3.675 5.923 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.728 0.903 4.471 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.959 0.445 3.274 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.321 -0.793 3.280 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.834 1.289 2.184 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.560 -1.186 2.179 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -4.079 0.907 1.079 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.438 -0.336 1.074 1.00 0.00 C ATOM 0 H PHE A 91 -5.232 -0.052 6.964 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.763 1.636 4.977 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.334 0.094 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.411 1.712 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.415 -1.447 4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.326 2.251 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.065 -2.146 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.989 1.567 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.851 -0.639 0.220 1.00 0.00 H new ATOM 1286 N PRO A 92 -6.098 2.581 7.078 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.516 3.804 7.765 1.00 0.00 C ATOM 1288 C PRO A 92 -5.407 4.259 8.717 1.00 0.00 C ATOM 1289 O PRO A 92 -5.622 5.061 9.605 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.808 3.403 8.484 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.779 1.864 8.603 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.804 1.360 7.519 1.00 0.00 C ATOM 0 HA PRO A 92 -6.693 4.653 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.865 3.868 9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.683 3.733 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.448 1.558 9.595 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.774 1.445 8.455 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.110 0.620 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.335 0.886 6.694 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.204 3.768 8.515 1.00 0.00 N ATOM 1301 CA LYS A 93 -3.074 4.184 9.373 1.00 0.00 C ATOM 1302 C LYS A 93 -2.212 5.175 8.605 1.00 0.00 C ATOM 1303 O LYS A 93 -2.433 5.454 7.429 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.239 2.959 9.757 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.374 3.289 10.976 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.400 2.117 11.959 1.00 0.00 C ATOM 1307 CE LYS A 93 0.016 1.564 12.133 1.00 0.00 C ATOM 1308 NZ LYS A 93 -0.037 0.076 12.202 1.00 0.00 N ATOM 0 H LYS A 93 -3.968 3.095 7.786 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.452 4.652 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.893 2.116 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.607 2.660 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.350 3.491 10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.743 4.192 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.795 2.444 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.064 1.335 11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.645 1.878 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.466 1.965 13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.925 -0.301 12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.624 -0.213 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.449 -0.298 11.323 1.00 0.00 H new ATOM 1322 N THR A 94 -1.230 5.706 9.260 1.00 0.00 N ATOM 1323 CA THR A 94 -0.343 6.677 8.597 1.00 0.00 C ATOM 1324 C THR A 94 1.101 6.239 8.767 1.00 0.00 C ATOM 1325 O THR A 94 1.555 5.957 9.857 1.00 0.00 O ATOM 1326 CB THR A 94 -0.541 8.048 9.231 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.916 8.402 9.164 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.295 9.075 8.479 1.00 0.00 C ATOM 0 H THR A 94 -1.004 5.506 10.234 1.00 0.00 H new ATOM 0 HA THR A 94 -0.581 6.729 7.534 1.00 0.00 H new ATOM 0 HB THR A 94 -0.227 8.022 10.274 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.047 9.283 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.156 10.058 8.930 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.348 8.797 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.019 9.107 7.436 1.00 0.00 H new ATOM 1336 N VAL A 95 1.832 6.195 7.696 1.00 0.00 N ATOM 1337 CA VAL A 95 3.258 5.791 7.810 1.00 0.00 C ATOM 1338 C VAL A 95 4.103 7.066 7.818 1.00 0.00 C ATOM 1339 O VAL A 95 3.666 8.101 7.358 1.00 0.00 O ATOM 1340 CB VAL A 95 3.639 4.862 6.649 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.146 4.849 6.438 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.197 3.441 6.979 1.00 0.00 C ATOM 0 H VAL A 95 1.511 6.418 6.754 1.00 0.00 H new ATOM 0 HA VAL A 95 3.434 5.235 8.731 1.00 0.00 H new ATOM 0 HB VAL A 95 3.149 5.225 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.392 4.184 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.490 5.857 6.208 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.637 4.496 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.465 2.777 6.158 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.692 3.108 7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.117 3.420 7.125 1.00 0.00 H new ATOM 1352 N THR A 96 5.277 7.037 8.391 1.00 0.00 N ATOM 1353 CA THR A 96 6.065 8.299 8.467 1.00 0.00 C ATOM 1354 C THR A 96 7.402 8.228 7.720 1.00 0.00 C ATOM 1355 O THR A 96 8.090 7.226 7.705 1.00 0.00 O ATOM 1356 CB THR A 96 6.341 8.616 9.936 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.167 8.374 10.700 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.750 10.083 10.073 1.00 0.00 C ATOM 0 H THR A 96 5.716 6.213 8.801 1.00 0.00 H new ATOM 0 HA THR A 96 5.471 9.077 7.987 1.00 0.00 H new ATOM 0 HB THR A 96 7.148 7.981 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.343 8.575 11.643 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.947 10.309 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.651 10.266 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.944 10.721 9.709 1.00 0.00 H new ATOM 1366 N VAL A 97 7.770 9.341 7.148 1.00 0.00 N ATOM 1367 CA VAL A 97 9.065 9.488 6.425 1.00 0.00 C ATOM 1368 C VAL A 97 9.708 10.793 6.912 1.00 0.00 C ATOM 1369 O VAL A 97 9.074 11.832 6.934 1.00 0.00 O ATOM 1370 CB VAL A 97 8.823 9.541 4.907 1.00 0.00 C ATOM 1371 CG1 VAL A 97 9.946 10.300 4.237 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.844 8.132 4.321 1.00 0.00 C ATOM 0 H VAL A 97 7.202 10.188 7.153 1.00 0.00 H new ATOM 0 HA VAL A 97 9.720 8.640 6.624 1.00 0.00 H new ATOM 0 HB VAL A 97 7.859 10.022 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.771 10.335 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.985 11.315 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.893 9.797 4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.672 8.182 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.814 7.673 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.061 7.533 4.786 1.00 0.00 H new ATOM 1382 N LYS A 98 10.944 10.753 7.331 1.00 0.00 N ATOM 1383 CA LYS A 98 11.579 12.004 7.851 1.00 0.00 C ATOM 1384 C LYS A 98 12.807 12.429 7.027 1.00 0.00 C ATOM 1385 O LYS A 98 12.787 13.482 6.421 1.00 0.00 O ATOM 1386 CB LYS A 98 11.991 11.802 9.310 1.00 0.00 C ATOM 1387 CG LYS A 98 11.132 12.693 10.211 1.00 0.00 C ATOM 1388 CD LYS A 98 10.448 11.836 11.277 1.00 0.00 C ATOM 1389 CE LYS A 98 11.415 11.587 12.435 1.00 0.00 C ATOM 1390 NZ LYS A 98 10.725 10.809 13.502 1.00 0.00 N ATOM 0 H LYS A 98 11.536 9.923 7.337 1.00 0.00 H new ATOM 0 HA LYS A 98 10.839 12.800 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.869 10.756 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.046 12.046 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.752 13.454 10.685 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.384 13.216 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.551 12.338 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.130 10.887 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.290 11.042 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.771 12.536 12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.383 10.640 14.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.903 11.346 13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.406 9.898 13.116 1.00 0.00 H new ATOM 1404 N PRO A 99 13.856 11.637 7.047 1.00 0.00 N ATOM 1405 CA PRO A 99 15.097 11.978 6.323 1.00 0.00 C ATOM 1406 C PRO A 99 14.941 11.792 4.813 1.00 0.00 C ATOM 1407 O PRO A 99 15.366 10.800 4.254 1.00 0.00 O ATOM 1408 CB PRO A 99 16.130 11.004 6.893 1.00 0.00 C ATOM 1409 CG PRO A 99 15.333 9.815 7.473 1.00 0.00 C ATOM 1410 CD PRO A 99 13.915 10.341 7.763 1.00 0.00 C ATOM 0 HA PRO A 99 15.379 13.023 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.818 10.669 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.731 11.483 7.666 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.302 8.986 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.802 9.440 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.152 9.651 7.402 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.748 10.469 8.833 1.00 0.00 H new ATOM 1418 N ALA A 100 14.348 12.744 4.143 1.00 0.00 N ATOM 1419 CA ALA A 100 14.187 12.618 2.666 1.00 0.00 C ATOM 1420 C ALA A 100 15.458 13.109 1.960 1.00 0.00 C ATOM 1421 O ALA A 100 15.998 12.419 1.117 1.00 0.00 O ATOM 1422 CB ALA A 100 12.994 13.450 2.195 1.00 0.00 C ATOM 0 H ALA A 100 13.970 13.599 4.552 1.00 0.00 H new ATOM 0 HA ALA A 100 14.015 11.570 2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.885 13.351 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.087 13.096 2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.158 14.497 2.449 1.00 0.00 H new TER 1428 ALA A 100