USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 MET CE :methyl -153:sc= -0.114 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0779 (180deg=-0.507) USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.0326 (180deg=-0.395) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 8 TYR OH : rot -84:sc= -0.452! USER MOD Single : A 12 LYS NZ :NH3+ -153:sc= -0.115 (180deg=-0.758) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 25 TYR OH : rot 30:sc= -0.0662 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0814) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= -0.0864 (180deg=-0.607) USER MOD Single : A 45 SER OG : rot 160:sc= -0.648 USER MOD Single : A 46 MET CE :methyl 153:sc= -0.13 (180deg=-1.26) USER MOD Single : A 48 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 52 THR OG1 : rot -102:sc= -1.95 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.0642 (180deg=-0.552) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.0119 (180deg=-0.237) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 70 HIS : no HD1:sc= -0.628! C(o=-0.63!,f=-4.8!) USER MOD Single : A 71 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.031) USER MOD Single : A 72 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0099) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.788 -2.017 -0.270 1.00 0.00 N ATOM 2 CA MET A 1 11.716 -1.209 0.977 1.00 0.00 C ATOM 3 C MET A 1 10.941 0.073 0.691 1.00 0.00 C ATOM 4 O MET A 1 9.936 0.356 1.313 1.00 0.00 O ATOM 5 CB MET A 1 13.132 -0.854 1.437 1.00 0.00 C ATOM 6 CG MET A 1 13.904 -2.130 1.785 1.00 0.00 C ATOM 7 SD MET A 1 13.112 -2.962 3.185 1.00 0.00 S ATOM 8 CE MET A 1 13.523 -1.740 4.456 1.00 0.00 C ATOM 0 H1 MET A 1 11.998 -3.007 -0.031 1.00 0.00 H new ATOM 0 H2 MET A 1 10.877 -1.968 -0.769 1.00 0.00 H new ATOM 0 H3 MET A 1 12.539 -1.642 -0.884 1.00 0.00 H new ATOM 0 HA MET A 1 11.214 -1.780 1.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.652 -0.307 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.087 -0.198 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.932 -2.796 0.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.937 -1.885 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.571 -2.229 5.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.489 -1.289 4.228 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.757 -0.965 4.477 1.00 0.00 H new ATOM 20 N LYS A 2 11.411 0.853 -0.250 1.00 0.00 N ATOM 21 CA LYS A 2 10.722 2.136 -0.596 1.00 0.00 C ATOM 22 C LYS A 2 10.019 2.007 -1.947 1.00 0.00 C ATOM 23 O LYS A 2 10.423 1.243 -2.806 1.00 0.00 O ATOM 24 CB LYS A 2 11.751 3.265 -0.662 1.00 0.00 C ATOM 25 CG LYS A 2 12.297 3.535 0.743 1.00 0.00 C ATOM 26 CD LYS A 2 13.313 4.680 0.692 1.00 0.00 C ATOM 27 CE LYS A 2 13.780 5.019 2.112 1.00 0.00 C ATOM 28 NZ LYS A 2 14.458 3.836 2.712 1.00 0.00 N ATOM 0 H LYS A 2 12.248 0.655 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 2 9.980 2.360 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.564 2.992 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.292 4.167 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.480 3.791 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.768 2.636 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.166 4.395 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.864 5.558 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.463 5.868 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.928 5.312 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.018 4.137 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.744 3.143 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 15.086 3.401 2.006 1.00 0.00 H new ATOM 42 N GLY A 3 8.965 2.750 -2.130 1.00 0.00 N ATOM 43 CA GLY A 3 8.213 2.686 -3.412 1.00 0.00 C ATOM 44 C GLY A 3 7.147 3.780 -3.445 1.00 0.00 C ATOM 45 O GLY A 3 7.089 4.636 -2.579 1.00 0.00 O ATOM 0 H GLY A 3 8.590 3.403 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.897 2.808 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.746 1.707 -3.521 1.00 0.00 H new ATOM 49 N LYS A 4 6.305 3.756 -4.444 1.00 0.00 N ATOM 50 CA LYS A 4 5.231 4.789 -4.562 1.00 0.00 C ATOM 51 C LYS A 4 3.908 4.123 -4.930 1.00 0.00 C ATOM 52 O LYS A 4 3.838 3.283 -5.808 1.00 0.00 O ATOM 53 CB LYS A 4 5.613 5.798 -5.641 1.00 0.00 C ATOM 54 CG LYS A 4 4.596 6.942 -5.642 1.00 0.00 C ATOM 55 CD LYS A 4 4.956 7.961 -6.727 1.00 0.00 C ATOM 56 CE LYS A 4 6.146 8.819 -6.276 1.00 0.00 C ATOM 57 NZ LYS A 4 6.287 9.988 -7.186 1.00 0.00 N ATOM 0 H LYS A 4 6.314 3.060 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 4 5.119 5.301 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.615 6.186 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.635 5.314 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.595 6.549 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.581 7.427 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.202 7.444 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.097 8.599 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.996 9.158 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.060 8.225 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.093 10.570 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.449 9.654 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.418 10.558 -7.156 1.00 0.00 H new ATOM 71 N VAL A 5 2.859 4.503 -4.254 1.00 0.00 N ATOM 72 CA VAL A 5 1.523 3.913 -4.535 1.00 0.00 C ATOM 73 C VAL A 5 0.933 4.545 -5.793 1.00 0.00 C ATOM 74 O VAL A 5 0.500 5.683 -5.796 1.00 0.00 O ATOM 75 CB VAL A 5 0.603 4.165 -3.335 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.347 5.676 -3.162 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.726 3.432 -3.551 1.00 0.00 C ATOM 0 H VAL A 5 2.872 5.203 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 5 1.620 2.840 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 5 1.085 3.790 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.308 5.838 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.294 6.189 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.127 6.070 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.382 3.610 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.202 3.802 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.540 2.362 -3.649 1.00 0.00 H new ATOM 87 N VAL A 6 0.915 3.800 -6.863 1.00 0.00 N ATOM 88 CA VAL A 6 0.353 4.319 -8.138 1.00 0.00 C ATOM 89 C VAL A 6 -1.169 4.407 -8.031 1.00 0.00 C ATOM 90 O VAL A 6 -1.785 5.340 -8.518 1.00 0.00 O ATOM 91 CB VAL A 6 0.747 3.374 -9.280 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.232 1.959 -8.997 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.146 3.882 -10.591 1.00 0.00 C ATOM 0 H VAL A 6 1.269 2.845 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 6 0.749 5.315 -8.339 1.00 0.00 H new ATOM 0 HB VAL A 6 1.834 3.347 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.518 1.297 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.665 1.593 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.854 1.978 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.425 3.211 -11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.940 3.915 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.524 4.883 -10.801 1.00 0.00 H new ATOM 103 N SER A 7 -1.784 3.443 -7.398 1.00 0.00 N ATOM 104 CA SER A 7 -3.268 3.471 -7.264 1.00 0.00 C ATOM 105 C SER A 7 -3.716 2.589 -6.100 1.00 0.00 C ATOM 106 O SER A 7 -3.027 1.670 -5.693 1.00 0.00 O ATOM 107 CB SER A 7 -3.913 2.960 -8.552 1.00 0.00 C ATOM 108 OG SER A 7 -5.325 2.945 -8.393 1.00 0.00 O ATOM 0 H SER A 7 -1.323 2.640 -6.969 1.00 0.00 H new ATOM 0 HA SER A 7 -3.578 4.499 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.636 3.600 -9.390 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.550 1.958 -8.782 1.00 0.00 H new ATOM 0 HG SER A 7 -5.744 2.620 -9.217 1.00 0.00 H new ATOM 114 N TYR A 8 -4.876 2.864 -5.573 1.00 0.00 N ATOM 115 CA TYR A 8 -5.408 2.055 -4.441 1.00 0.00 C ATOM 116 C TYR A 8 -6.936 2.149 -4.431 1.00 0.00 C ATOM 117 O TYR A 8 -7.502 3.183 -4.122 1.00 0.00 O ATOM 118 CB TYR A 8 -4.848 2.580 -3.118 1.00 0.00 C ATOM 119 CG TYR A 8 -5.520 1.864 -1.969 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.247 0.510 -1.737 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.412 2.551 -1.137 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.865 -0.155 -0.672 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.030 1.884 -0.072 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.757 0.532 0.160 1.00 0.00 C ATOM 125 OH TYR A 8 -7.365 -0.125 1.209 1.00 0.00 O ATOM 0 H TYR A 8 -5.484 3.622 -5.881 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.106 1.015 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.770 2.422 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.016 3.654 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.560 -0.021 -2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.623 3.595 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.654 -1.199 -0.492 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.718 2.414 0.570 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.162 -0.594 0.884 1.00 0.00 H new ATOM 135 N LEU A 9 -7.598 1.074 -4.769 1.00 0.00 N ATOM 136 CA LEU A 9 -9.094 1.068 -4.787 1.00 0.00 C ATOM 137 C LEU A 9 -9.609 0.133 -3.691 1.00 0.00 C ATOM 138 O LEU A 9 -9.379 -1.062 -3.708 1.00 0.00 O ATOM 139 CB LEU A 9 -9.587 0.582 -6.156 1.00 0.00 C ATOM 140 CG LEU A 9 -8.978 1.459 -7.260 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.458 0.968 -8.630 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.408 2.923 -7.059 1.00 0.00 C ATOM 0 H LEU A 9 -7.164 0.191 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.467 2.076 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.305 -0.460 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.675 0.627 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.891 1.393 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.025 1.591 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.146 -0.066 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.545 1.029 -8.678 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.973 3.541 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.495 2.992 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.061 3.274 -6.087 1.00 0.00 H new ATOM 154 N ALA A 10 -10.307 0.690 -2.741 1.00 0.00 N ATOM 155 CA ALA A 10 -10.866 -0.122 -1.623 1.00 0.00 C ATOM 156 C ALA A 10 -11.982 -1.022 -2.159 1.00 0.00 C ATOM 157 O ALA A 10 -12.280 -2.064 -1.604 1.00 0.00 O ATOM 158 CB ALA A 10 -11.439 0.819 -0.562 1.00 0.00 C ATOM 0 H ALA A 10 -10.517 1.687 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.081 -0.738 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.850 0.233 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.648 1.467 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.228 1.428 -1.004 1.00 0.00 H new ATOM 164 N ALA A 11 -12.599 -0.620 -3.237 1.00 0.00 N ATOM 165 CA ALA A 11 -13.701 -1.434 -3.830 1.00 0.00 C ATOM 166 C ALA A 11 -13.148 -2.783 -4.286 1.00 0.00 C ATOM 167 O ALA A 11 -13.802 -3.806 -4.192 1.00 0.00 O ATOM 168 CB ALA A 11 -14.283 -0.694 -5.035 1.00 0.00 C ATOM 0 H ALA A 11 -12.386 0.243 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.480 -1.592 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.088 -1.285 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.674 0.272 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.502 -0.540 -5.779 1.00 0.00 H new ATOM 174 N LYS A 12 -11.940 -2.791 -4.778 1.00 0.00 N ATOM 175 CA LYS A 12 -11.321 -4.064 -5.247 1.00 0.00 C ATOM 176 C LYS A 12 -10.563 -4.694 -4.082 1.00 0.00 C ATOM 177 O LYS A 12 -9.852 -5.667 -4.245 1.00 0.00 O ATOM 178 CB LYS A 12 -10.351 -3.761 -6.399 1.00 0.00 C ATOM 179 CG LYS A 12 -11.128 -3.642 -7.715 1.00 0.00 C ATOM 180 CD LYS A 12 -12.067 -2.433 -7.653 1.00 0.00 C ATOM 181 CE LYS A 12 -12.661 -2.172 -9.036 1.00 0.00 C ATOM 182 NZ LYS A 12 -11.573 -1.792 -9.979 1.00 0.00 N ATOM 0 H LYS A 12 -11.350 -1.964 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.089 -4.752 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.813 -2.835 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.606 -4.552 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.435 -3.534 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.702 -4.551 -7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.864 -2.616 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.522 -1.554 -7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.175 -3.063 -9.397 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.403 -1.376 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.963 -1.195 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.838 -1.265 -9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.158 -2.650 -10.394 1.00 0.00 H new ATOM 196 N LYS A 13 -10.707 -4.121 -2.911 1.00 0.00 N ATOM 197 CA LYS A 13 -10.002 -4.645 -1.702 1.00 0.00 C ATOM 198 C LYS A 13 -8.494 -4.569 -1.913 1.00 0.00 C ATOM 199 O LYS A 13 -7.713 -4.821 -1.011 1.00 0.00 O ATOM 200 CB LYS A 13 -10.424 -6.095 -1.420 1.00 0.00 C ATOM 201 CG LYS A 13 -11.852 -6.109 -0.876 1.00 0.00 C ATOM 202 CD LYS A 13 -12.264 -7.550 -0.579 1.00 0.00 C ATOM 203 CE LYS A 13 -13.655 -7.566 0.052 1.00 0.00 C ATOM 204 NZ LYS A 13 -14.048 -8.974 0.349 1.00 0.00 N ATOM 0 H LYS A 13 -11.291 -3.302 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.275 -4.033 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.365 -6.687 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.744 -6.550 -0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.914 -5.507 0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.534 -5.665 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.264 -8.136 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.543 -8.014 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.658 -6.975 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.378 -7.110 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.995 -8.987 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.061 -9.524 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.363 -9.394 1.009 1.00 0.00 H new ATOM 218 N TYR A 14 -8.076 -4.220 -3.097 1.00 0.00 N ATOM 219 CA TYR A 14 -6.619 -4.121 -3.373 1.00 0.00 C ATOM 220 C TYR A 14 -6.390 -3.278 -4.627 1.00 0.00 C ATOM 221 O TYR A 14 -7.295 -3.040 -5.407 1.00 0.00 O ATOM 222 CB TYR A 14 -6.040 -5.518 -3.585 1.00 0.00 C ATOM 223 CG TYR A 14 -6.679 -6.161 -4.797 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.235 -5.827 -6.084 1.00 0.00 C ATOM 225 CD2 TYR A 14 -7.707 -7.099 -4.634 1.00 0.00 C ATOM 226 CE1 TYR A 14 -6.817 -6.431 -7.204 1.00 0.00 C ATOM 227 CE2 TYR A 14 -8.290 -7.700 -5.755 1.00 0.00 C ATOM 228 CZ TYR A 14 -7.844 -7.366 -7.040 1.00 0.00 C ATOM 229 OH TYR A 14 -8.416 -7.964 -8.146 1.00 0.00 O ATOM 0 H TYR A 14 -8.683 -3.999 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.124 -3.649 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.960 -5.457 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.215 -6.132 -2.702 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.443 -5.103 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.049 -7.358 -3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.473 -6.175 -8.195 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.084 -8.421 -5.629 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.113 -8.589 -7.856 1.00 0.00 H new ATOM 239 N GLY A 15 -5.182 -2.828 -4.818 1.00 0.00 N ATOM 240 CA GLY A 15 -4.861 -1.992 -6.016 1.00 0.00 C ATOM 241 C GLY A 15 -3.470 -2.345 -6.544 1.00 0.00 C ATOM 242 O GLY A 15 -3.134 -3.502 -6.728 1.00 0.00 O ATOM 0 H GLY A 15 -4.395 -3.003 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.607 -2.156 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.902 -0.935 -5.753 1.00 0.00 H new ATOM 246 N PHE A 16 -2.664 -1.348 -6.800 1.00 0.00 N ATOM 247 CA PHE A 16 -1.290 -1.598 -7.330 1.00 0.00 C ATOM 248 C PHE A 16 -0.308 -0.590 -6.735 1.00 0.00 C ATOM 249 O PHE A 16 -0.670 0.520 -6.378 1.00 0.00 O ATOM 250 CB PHE A 16 -1.304 -1.449 -8.853 1.00 0.00 C ATOM 251 CG PHE A 16 -2.125 -2.562 -9.456 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.550 -3.822 -9.653 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.457 -2.336 -9.823 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.306 -4.859 -10.210 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.215 -3.373 -10.380 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.638 -4.633 -10.578 1.00 0.00 C ATOM 0 H PHE A 16 -2.900 -0.365 -6.664 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.978 -2.606 -7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.722 -0.482 -9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.286 -1.480 -9.242 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.521 -3.994 -9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.900 -1.362 -9.676 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.863 -5.833 -10.356 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.245 -3.201 -10.657 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.220 -5.431 -11.015 1.00 0.00 H new ATOM 266 N ILE A 17 0.935 -0.978 -6.632 1.00 0.00 N ATOM 267 CA ILE A 17 1.983 -0.074 -6.070 1.00 0.00 C ATOM 268 C ILE A 17 3.213 -0.092 -6.978 1.00 0.00 C ATOM 269 O ILE A 17 3.687 -1.135 -7.386 1.00 0.00 O ATOM 270 CB ILE A 17 2.377 -0.551 -4.672 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.180 -0.398 -3.730 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.546 0.288 -4.154 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.479 -1.098 -2.403 1.00 0.00 C ATOM 0 H ILE A 17 1.274 -1.897 -6.918 1.00 0.00 H new ATOM 0 HA ILE A 17 1.589 0.941 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 17 2.677 -1.598 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.973 0.658 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.288 -0.827 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.825 -0.053 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.397 0.180 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.250 1.336 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.626 -0.988 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.664 -2.157 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.360 -0.648 -1.945 1.00 0.00 H new ATOM 285 N GLN A 18 3.732 1.066 -7.288 1.00 0.00 N ATOM 286 CA GLN A 18 4.935 1.150 -8.168 1.00 0.00 C ATOM 287 C GLN A 18 6.195 1.249 -7.306 1.00 0.00 C ATOM 288 O GLN A 18 6.484 2.269 -6.706 1.00 0.00 O ATOM 289 CB GLN A 18 4.826 2.385 -9.066 1.00 0.00 C ATOM 290 CG GLN A 18 6.065 2.469 -9.960 1.00 0.00 C ATOM 291 CD GLN A 18 5.908 3.601 -10.977 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.745 4.748 -10.613 1.00 0.00 O ATOM 293 NE2 GLN A 18 5.958 3.320 -12.252 1.00 0.00 N ATOM 0 H GLN A 18 3.372 1.965 -6.967 1.00 0.00 H new ATOM 0 HA GLN A 18 4.994 0.256 -8.789 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.925 2.326 -9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.740 3.285 -8.458 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.952 2.639 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.213 1.522 -10.479 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.095 2.356 -12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.860 4.064 -12.942 1.00 0.00 H new ATOM 302 N GLY A 19 6.941 0.183 -7.252 1.00 0.00 N ATOM 303 CA GLY A 19 8.191 0.165 -6.445 1.00 0.00 C ATOM 304 C GLY A 19 9.288 0.968 -7.144 1.00 0.00 C ATOM 305 O GLY A 19 9.208 1.272 -8.321 1.00 0.00 O ATOM 0 H GLY A 19 6.735 -0.689 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.999 0.583 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.522 -0.863 -6.298 1.00 0.00 H new ATOM 309 N ASP A 20 10.314 1.308 -6.416 1.00 0.00 N ATOM 310 CA ASP A 20 11.444 2.090 -6.998 1.00 0.00 C ATOM 311 C ASP A 20 12.133 1.266 -8.089 1.00 0.00 C ATOM 312 O ASP A 20 12.531 1.779 -9.119 1.00 0.00 O ATOM 313 CB ASP A 20 12.459 2.400 -5.895 1.00 0.00 C ATOM 314 CG ASP A 20 11.890 3.457 -4.947 1.00 0.00 C ATOM 315 OD1 ASP A 20 10.914 4.089 -5.314 1.00 0.00 O ATOM 316 OD2 ASP A 20 12.443 3.618 -3.872 1.00 0.00 O ATOM 0 H ASP A 20 10.421 1.075 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 20 11.061 3.016 -7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.696 1.492 -5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.390 2.757 -6.335 1.00 0.00 H new ATOM 321 N ASP A 21 12.278 -0.013 -7.862 1.00 0.00 N ATOM 322 CA ASP A 21 12.944 -0.889 -8.870 1.00 0.00 C ATOM 323 C ASP A 21 11.927 -1.289 -9.949 1.00 0.00 C ATOM 324 O ASP A 21 12.236 -2.014 -10.876 1.00 0.00 O ATOM 325 CB ASP A 21 13.495 -2.140 -8.168 1.00 0.00 C ATOM 326 CG ASP A 21 14.663 -1.747 -7.254 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.161 -0.643 -7.397 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.044 -2.560 -6.426 1.00 0.00 O ATOM 0 H ASP A 21 11.962 -0.490 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 21 13.768 -0.353 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.708 -2.617 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.828 -2.867 -8.908 1.00 0.00 H new ATOM 333 N GLY A 22 10.715 -0.809 -9.828 1.00 0.00 N ATOM 334 CA GLY A 22 9.657 -1.135 -10.837 1.00 0.00 C ATOM 335 C GLY A 22 8.946 -2.438 -10.464 1.00 0.00 C ATOM 336 O GLY A 22 8.260 -3.039 -11.271 1.00 0.00 O ATOM 0 H GLY A 22 10.409 -0.201 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.934 -0.321 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.105 -1.228 -11.826 1.00 0.00 H new ATOM 340 N GLU A 23 9.106 -2.887 -9.248 1.00 0.00 N ATOM 341 CA GLU A 23 8.445 -4.160 -8.822 1.00 0.00 C ATOM 342 C GLU A 23 7.042 -3.869 -8.279 1.00 0.00 C ATOM 343 O GLU A 23 6.864 -3.147 -7.315 1.00 0.00 O ATOM 344 CB GLU A 23 9.297 -4.832 -7.745 1.00 0.00 C ATOM 345 CG GLU A 23 10.641 -5.250 -8.351 1.00 0.00 C ATOM 346 CD GLU A 23 10.421 -6.337 -9.408 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.374 -6.964 -9.377 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.300 -6.523 -10.232 1.00 0.00 O ATOM 0 H GLU A 23 9.666 -2.429 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 23 8.353 -4.826 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.458 -4.147 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.778 -5.703 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.131 -4.387 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.303 -5.620 -7.568 1.00 0.00 H new ATOM 355 N SER A 24 6.049 -4.434 -8.911 1.00 0.00 N ATOM 356 CA SER A 24 4.641 -4.213 -8.473 1.00 0.00 C ATOM 357 C SER A 24 4.340 -5.037 -7.224 1.00 0.00 C ATOM 358 O SER A 24 4.865 -6.120 -7.030 1.00 0.00 O ATOM 359 CB SER A 24 3.688 -4.638 -9.595 1.00 0.00 C ATOM 360 OG SER A 24 3.753 -6.050 -9.768 1.00 0.00 O ATOM 0 H SER A 24 6.155 -5.046 -9.720 1.00 0.00 H new ATOM 0 HA SER A 24 4.504 -3.156 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.668 -4.338 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.957 -4.135 -10.524 1.00 0.00 H new ATOM 0 HG SER A 24 3.142 -6.320 -10.485 1.00 0.00 H new ATOM 366 N TYR A 25 3.489 -4.526 -6.375 1.00 0.00 N ATOM 367 CA TYR A 25 3.125 -5.255 -5.124 1.00 0.00 C ATOM 368 C TYR A 25 1.613 -5.176 -4.905 1.00 0.00 C ATOM 369 O TYR A 25 0.995 -4.142 -5.084 1.00 0.00 O ATOM 370 CB TYR A 25 3.852 -4.622 -3.939 1.00 0.00 C ATOM 371 CG TYR A 25 5.341 -4.773 -4.132 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.963 -5.992 -3.834 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.102 -3.698 -4.608 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.342 -6.137 -4.013 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.484 -3.842 -4.785 1.00 0.00 C ATOM 376 CZ TYR A 25 8.103 -5.063 -4.488 1.00 0.00 C ATOM 377 OH TYR A 25 9.464 -5.206 -4.665 1.00 0.00 O ATOM 0 H TYR A 25 3.026 -3.625 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 25 3.419 -6.301 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.589 -3.567 -3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.543 -5.101 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.377 -6.821 -3.466 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.623 -2.758 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.820 -7.078 -3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.072 -3.013 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 25 9.669 -6.139 -4.885 1.00 0.00 H new ATOM 387 N PHE A 26 1.024 -6.270 -4.514 1.00 0.00 N ATOM 388 CA PHE A 26 -0.446 -6.303 -4.269 1.00 0.00 C ATOM 389 C PHE A 26 -0.741 -5.781 -2.870 1.00 0.00 C ATOM 390 O PHE A 26 -0.017 -6.058 -1.931 1.00 0.00 O ATOM 391 CB PHE A 26 -0.945 -7.747 -4.378 1.00 0.00 C ATOM 392 CG PHE A 26 -1.002 -8.151 -5.829 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.160 -7.902 -6.576 1.00 0.00 C ATOM 394 CD2 PHE A 26 0.098 -8.772 -6.431 1.00 0.00 C ATOM 395 CE1 PHE A 26 -2.219 -8.275 -7.923 1.00 0.00 C ATOM 396 CE2 PHE A 26 0.041 -9.144 -7.779 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.118 -8.895 -8.525 1.00 0.00 C ATOM 0 H PHE A 26 1.504 -7.155 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.950 -5.679 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.281 -8.415 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.933 -7.837 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.008 -7.421 -6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.991 -8.964 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.113 -8.085 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.890 -9.623 -8.244 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.162 -9.182 -9.565 1.00 0.00 H new ATOM 407 N LEU A 27 -1.802 -5.029 -2.722 1.00 0.00 N ATOM 408 CA LEU A 27 -2.151 -4.484 -1.377 1.00 0.00 C ATOM 409 C LEU A 27 -3.448 -5.123 -0.886 1.00 0.00 C ATOM 410 O LEU A 27 -4.506 -4.952 -1.463 1.00 0.00 O ATOM 411 CB LEU A 27 -2.331 -2.961 -1.473 1.00 0.00 C ATOM 412 CG LEU A 27 -2.195 -2.341 -0.077 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.200 -0.817 -0.184 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.347 -2.807 0.830 1.00 0.00 C ATOM 0 H LEU A 27 -2.440 -4.770 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.349 -4.711 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.584 -2.538 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.309 -2.725 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.252 -2.667 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.103 -0.382 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.364 -0.493 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.136 -0.487 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.237 -2.359 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.299 -2.500 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.323 -3.893 0.920 1.00 0.00 H new ATOM 426 N HIS A 28 -3.358 -5.846 0.197 1.00 0.00 N ATOM 427 CA HIS A 28 -4.556 -6.509 0.788 1.00 0.00 C ATOM 428 C HIS A 28 -4.759 -5.979 2.209 1.00 0.00 C ATOM 429 O HIS A 28 -3.818 -5.659 2.912 1.00 0.00 O ATOM 430 CB HIS A 28 -4.332 -8.026 0.823 1.00 0.00 C ATOM 431 CG HIS A 28 -4.636 -8.604 -0.533 1.00 0.00 C ATOM 432 ND1 HIS A 28 -5.699 -9.466 -0.745 1.00 0.00 N ATOM 433 CD2 HIS A 28 -4.034 -8.443 -1.755 1.00 0.00 C ATOM 434 CE1 HIS A 28 -5.704 -9.790 -2.051 1.00 0.00 C ATOM 435 NE2 HIS A 28 -4.711 -9.192 -2.713 1.00 0.00 N ATOM 0 H HIS A 28 -2.489 -6.008 0.706 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.440 -6.295 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.302 -8.247 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.972 -8.483 1.578 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.166 -7.828 -1.945 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.424 -10.453 -2.508 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.495 -9.268 -3.707 1.00 0.00 H new ATOM 443 N PHE A 29 -5.989 -5.882 2.623 1.00 0.00 N ATOM 444 CA PHE A 29 -6.301 -5.372 3.989 1.00 0.00 C ATOM 445 C PHE A 29 -5.722 -6.321 5.046 1.00 0.00 C ATOM 446 O PHE A 29 -5.210 -5.896 6.067 1.00 0.00 O ATOM 447 CB PHE A 29 -7.827 -5.273 4.148 1.00 0.00 C ATOM 448 CG PHE A 29 -8.324 -3.958 3.587 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.382 -2.834 4.418 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.712 -3.856 2.244 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.833 -1.611 3.914 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.165 -2.627 1.742 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.221 -1.506 2.576 1.00 0.00 C ATOM 0 H PHE A 29 -6.805 -6.138 2.066 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.855 -4.387 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.309 -6.103 3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.097 -5.353 5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.078 -2.912 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.662 -4.720 1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.882 -0.746 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.471 -2.546 0.709 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.564 -0.559 2.186 1.00 0.00 H new ATOM 463 N SER A 30 -5.800 -7.599 4.806 1.00 0.00 N ATOM 464 CA SER A 30 -5.262 -8.589 5.788 1.00 0.00 C ATOM 465 C SER A 30 -3.775 -8.321 6.042 1.00 0.00 C ATOM 466 O SER A 30 -3.208 -8.776 7.019 1.00 0.00 O ATOM 467 CB SER A 30 -5.431 -9.998 5.222 1.00 0.00 C ATOM 468 OG SER A 30 -4.540 -10.884 5.885 1.00 0.00 O ATOM 0 H SER A 30 -6.215 -8.006 3.968 1.00 0.00 H new ATOM 0 HA SER A 30 -5.807 -8.496 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.460 -10.334 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.231 -9.998 4.151 1.00 0.00 H new ATOM 0 HG SER A 30 -4.649 -11.788 5.524 1.00 0.00 H new ATOM 474 N GLU A 31 -3.132 -7.597 5.163 1.00 0.00 N ATOM 475 CA GLU A 31 -1.674 -7.314 5.342 1.00 0.00 C ATOM 476 C GLU A 31 -1.477 -6.010 6.128 1.00 0.00 C ATOM 477 O GLU A 31 -0.373 -5.669 6.508 1.00 0.00 O ATOM 478 CB GLU A 31 -1.019 -7.184 3.961 1.00 0.00 C ATOM 479 CG GLU A 31 -1.127 -8.516 3.212 1.00 0.00 C ATOM 480 CD GLU A 31 -0.324 -9.589 3.950 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.529 -9.222 4.741 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.575 -10.758 3.713 1.00 0.00 O ATOM 0 H GLU A 31 -3.552 -7.189 4.328 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.214 -8.131 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.506 -6.394 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.028 -6.900 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.172 -8.818 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.753 -8.404 2.194 1.00 0.00 H new ATOM 489 N LEU A 32 -2.534 -5.285 6.383 1.00 0.00 N ATOM 490 CA LEU A 32 -2.391 -4.009 7.149 1.00 0.00 C ATOM 491 C LEU A 32 -2.243 -4.315 8.644 1.00 0.00 C ATOM 492 O LEU A 32 -2.923 -5.163 9.193 1.00 0.00 O ATOM 493 CB LEU A 32 -3.618 -3.120 6.918 1.00 0.00 C ATOM 494 CG LEU A 32 -3.728 -2.763 5.427 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.999 -1.933 5.190 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.493 -1.955 4.984 1.00 0.00 C ATOM 0 H LEU A 32 -3.485 -5.518 6.097 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.502 -3.483 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.520 -3.637 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.538 -2.211 7.514 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.779 -3.682 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.076 -1.680 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.873 -2.512 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.951 -1.017 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.581 -1.707 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.430 -1.037 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.593 -2.549 5.144 1.00 0.00 H new ATOM 508 N LEU A 33 -1.351 -3.615 9.294 1.00 0.00 N ATOM 509 CA LEU A 33 -1.121 -3.828 10.754 1.00 0.00 C ATOM 510 C LEU A 33 -2.382 -3.465 11.530 1.00 0.00 C ATOM 511 O LEU A 33 -2.771 -4.143 12.462 1.00 0.00 O ATOM 512 CB LEU A 33 0.027 -2.924 11.218 1.00 0.00 C ATOM 513 CG LEU A 33 1.344 -3.372 10.566 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.447 -2.359 10.898 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.747 -4.767 11.083 1.00 0.00 C ATOM 0 H LEU A 33 -0.765 -2.896 8.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.871 -4.874 10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.185 -1.888 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.117 -2.964 12.304 1.00 0.00 H new ATOM 0 HG LEU A 33 1.208 -3.424 9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.382 -2.675 10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.167 -1.378 10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.577 -2.303 11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.682 -5.073 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.879 -4.730 12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.965 -5.486 10.837 1.00 0.00 H new ATOM 527 N ASP A 34 -3.022 -2.393 11.149 1.00 0.00 N ATOM 528 CA ASP A 34 -4.269 -1.962 11.848 1.00 0.00 C ATOM 529 C ASP A 34 -5.306 -1.559 10.801 1.00 0.00 C ATOM 530 O ASP A 34 -5.058 -0.733 9.943 1.00 0.00 O ATOM 531 CB ASP A 34 -3.965 -0.782 12.775 1.00 0.00 C ATOM 532 CG ASP A 34 -3.158 -1.271 13.983 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.089 -2.474 14.180 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.633 -0.433 14.699 1.00 0.00 O ATOM 0 H ASP A 34 -2.733 -1.792 10.377 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.659 -2.782 12.451 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.405 -0.018 12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.894 -0.320 13.109 1.00 0.00 H new ATOM 539 N LYS A 35 -6.461 -2.152 10.873 1.00 0.00 N ATOM 540 CA LYS A 35 -7.547 -1.844 9.899 1.00 0.00 C ATOM 541 C LYS A 35 -7.973 -0.383 10.054 1.00 0.00 C ATOM 542 O LYS A 35 -8.679 0.165 9.227 1.00 0.00 O ATOM 543 CB LYS A 35 -8.733 -2.765 10.191 1.00 0.00 C ATOM 544 CG LYS A 35 -8.260 -4.225 10.210 1.00 0.00 C ATOM 545 CD LYS A 35 -7.744 -4.627 8.822 1.00 0.00 C ATOM 546 CE LYS A 35 -7.712 -6.151 8.702 1.00 0.00 C ATOM 547 NZ LYS A 35 -6.749 -6.708 9.693 1.00 0.00 N ATOM 0 H LYS A 35 -6.705 -2.849 11.576 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.196 -2.002 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.181 -2.505 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.505 -2.632 9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.471 -4.351 10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.081 -4.878 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.387 -4.206 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.746 -4.220 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.707 -6.561 8.876 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.420 -6.441 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.586 -7.715 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.848 -6.192 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.139 -6.606 10.652 1.00 0.00 H new ATOM 561 N LYS A 36 -7.527 0.252 11.099 1.00 0.00 N ATOM 562 CA LYS A 36 -7.873 1.684 11.321 1.00 0.00 C ATOM 563 C LYS A 36 -6.936 2.551 10.472 1.00 0.00 C ATOM 564 O LYS A 36 -7.175 3.724 10.256 1.00 0.00 O ATOM 565 CB LYS A 36 -7.675 2.018 12.799 1.00 0.00 C ATOM 566 CG LYS A 36 -8.512 1.070 13.672 1.00 0.00 C ATOM 567 CD LYS A 36 -10.005 1.305 13.420 1.00 0.00 C ATOM 568 CE LYS A 36 -10.824 0.699 14.560 1.00 0.00 C ATOM 569 NZ LYS A 36 -12.269 0.983 14.330 1.00 0.00 N ATOM 0 H LYS A 36 -6.932 -0.162 11.816 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.909 1.873 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.621 1.931 13.061 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.966 3.051 12.988 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.256 0.035 13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.282 1.234 14.725 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.206 2.373 13.343 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.298 0.856 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.656 -0.377 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.506 1.118 15.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.831 0.573 15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.420 2.012 14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.566 0.563 13.426 1.00 0.00 H new ATOM 583 N ASP A 37 -5.873 1.966 9.987 1.00 0.00 N ATOM 584 CA ASP A 37 -4.901 2.725 9.144 1.00 0.00 C ATOM 585 C ASP A 37 -5.477 2.899 7.736 1.00 0.00 C ATOM 586 O ASP A 37 -4.901 3.563 6.893 1.00 0.00 O ATOM 587 CB ASP A 37 -3.585 1.950 9.059 1.00 0.00 C ATOM 588 CG ASP A 37 -2.889 1.963 10.421 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.352 2.679 11.294 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.901 1.261 10.568 1.00 0.00 O ATOM 0 H ASP A 37 -5.634 0.986 10.140 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.720 3.703 9.590 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.776 0.923 8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.937 2.396 8.305 1.00 0.00 H new ATOM 595 N GLU A 38 -6.611 2.305 7.479 1.00 0.00 N ATOM 596 CA GLU A 38 -7.234 2.427 6.128 1.00 0.00 C ATOM 597 C GLU A 38 -7.412 3.908 5.777 1.00 0.00 C ATOM 598 O GLU A 38 -7.095 4.346 4.684 1.00 0.00 O ATOM 599 CB GLU A 38 -8.606 1.745 6.137 1.00 0.00 C ATOM 600 CG GLU A 38 -9.280 1.914 4.768 1.00 0.00 C ATOM 601 CD GLU A 38 -10.613 1.163 4.740 1.00 0.00 C ATOM 602 OE1 GLU A 38 -10.822 0.325 5.601 1.00 0.00 O ATOM 603 OE2 GLU A 38 -11.406 1.441 3.853 1.00 0.00 O ATOM 0 H GLU A 38 -7.134 1.739 8.147 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.590 1.951 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.494 0.686 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.232 2.178 6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.446 2.972 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.625 1.537 3.983 1.00 0.00 H new ATOM 610 N GLY A 39 -7.917 4.676 6.701 1.00 0.00 N ATOM 611 CA GLY A 39 -8.128 6.130 6.447 1.00 0.00 C ATOM 612 C GLY A 39 -6.795 6.867 6.548 1.00 0.00 C ATOM 613 O GLY A 39 -6.701 8.054 6.295 1.00 0.00 O ATOM 0 H GLY A 39 -8.195 4.357 7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.562 6.277 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.835 6.537 7.170 1.00 0.00 H new ATOM 617 N LYS A 40 -5.755 6.168 6.912 1.00 0.00 N ATOM 618 CA LYS A 40 -4.416 6.814 7.027 1.00 0.00 C ATOM 619 C LYS A 40 -3.649 6.605 5.719 1.00 0.00 C ATOM 620 O LYS A 40 -2.552 7.098 5.538 1.00 0.00 O ATOM 621 CB LYS A 40 -3.648 6.170 8.184 1.00 0.00 C ATOM 622 CG LYS A 40 -2.496 7.087 8.612 1.00 0.00 C ATOM 623 CD LYS A 40 -1.789 6.512 9.846 1.00 0.00 C ATOM 624 CE LYS A 40 -2.613 6.791 11.110 1.00 0.00 C ATOM 625 NZ LYS A 40 -1.793 6.484 12.311 1.00 0.00 N ATOM 0 H LYS A 40 -5.775 5.173 7.136 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.529 7.881 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.318 5.995 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.259 5.199 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.784 7.194 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.878 8.083 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.648 5.438 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.798 6.954 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.929 7.834 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.518 6.184 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.350 6.672 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.513 5.483 12.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.942 7.082 12.312 1.00 0.00 H new ATOM 639 N LEU A 41 -4.229 5.873 4.811 1.00 0.00 N ATOM 640 CA LEU A 41 -3.553 5.607 3.509 1.00 0.00 C ATOM 641 C LEU A 41 -3.508 6.876 2.674 1.00 0.00 C ATOM 642 O LEU A 41 -4.379 7.722 2.759 1.00 0.00 O ATOM 643 CB LEU A 41 -4.323 4.523 2.748 1.00 0.00 C ATOM 644 CG LEU A 41 -4.047 3.144 3.380 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.190 2.170 3.051 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.733 2.569 2.821 1.00 0.00 C ATOM 0 H LEU A 41 -5.149 5.444 4.914 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.534 5.271 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.391 4.737 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.023 4.519 1.700 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.972 3.267 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.983 1.200 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.127 2.562 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.272 2.057 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.542 1.595 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.814 2.460 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.911 3.245 3.057 1.00 0.00 H new ATOM 658 N VAL A 42 -2.489 7.012 1.865 1.00 0.00 N ATOM 659 CA VAL A 42 -2.356 8.225 1.007 1.00 0.00 C ATOM 660 C VAL A 42 -2.159 7.801 -0.447 1.00 0.00 C ATOM 661 O VAL A 42 -1.397 6.906 -0.757 1.00 0.00 O ATOM 662 CB VAL A 42 -1.162 9.061 1.479 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.102 8.198 1.570 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.936 10.216 0.502 1.00 0.00 C ATOM 0 H VAL A 42 -1.738 6.329 1.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.261 8.827 1.083 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.378 9.456 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.938 8.811 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.062 7.387 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.330 7.782 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.087 10.813 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.732 9.817 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.828 10.842 0.466 1.00 0.00 H new ATOM 674 N LYS A 43 -2.871 8.440 -1.334 1.00 0.00 N ATOM 675 CA LYS A 43 -2.778 8.100 -2.782 1.00 0.00 C ATOM 676 C LYS A 43 -1.824 9.050 -3.517 1.00 0.00 C ATOM 677 O LYS A 43 -1.886 10.259 -3.380 1.00 0.00 O ATOM 678 CB LYS A 43 -4.166 8.200 -3.409 1.00 0.00 C ATOM 679 CG LYS A 43 -4.096 7.764 -4.872 1.00 0.00 C ATOM 680 CD LYS A 43 -5.501 7.763 -5.477 1.00 0.00 C ATOM 681 CE LYS A 43 -5.426 7.294 -6.931 1.00 0.00 C ATOM 682 NZ LYS A 43 -4.536 8.204 -7.704 1.00 0.00 N ATOM 0 H LYS A 43 -3.522 9.194 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.389 7.086 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.869 7.570 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.535 9.223 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.449 8.439 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.658 6.769 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.155 7.106 -4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.931 8.763 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.046 6.273 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.423 7.283 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.752 8.122 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.691 9.185 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.543 7.942 -7.539 1.00 0.00 H new ATOM 696 N GLY A 44 -0.966 8.489 -4.324 1.00 0.00 N ATOM 697 CA GLY A 44 -0.011 9.303 -5.131 1.00 0.00 C ATOM 698 C GLY A 44 1.263 9.615 -4.344 1.00 0.00 C ATOM 699 O GLY A 44 2.238 10.085 -4.898 1.00 0.00 O ATOM 0 H GLY A 44 -0.885 7.482 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.246 8.765 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.490 10.234 -5.434 1.00 0.00 H new ATOM 703 N SER A 45 1.270 9.374 -3.060 1.00 0.00 N ATOM 704 CA SER A 45 2.491 9.684 -2.247 1.00 0.00 C ATOM 705 C SER A 45 3.353 8.436 -2.058 1.00 0.00 C ATOM 706 O SER A 45 3.017 7.343 -2.490 1.00 0.00 O ATOM 707 CB SER A 45 2.076 10.226 -0.884 1.00 0.00 C ATOM 708 OG SER A 45 3.205 10.811 -0.253 1.00 0.00 O ATOM 0 H SER A 45 0.489 8.978 -2.537 1.00 0.00 H new ATOM 0 HA SER A 45 3.077 10.433 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.284 10.966 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.674 9.423 -0.266 1.00 0.00 H new ATOM 0 HG SER A 45 2.905 11.428 0.447 1.00 0.00 H new ATOM 714 N MET A 46 4.473 8.610 -1.412 1.00 0.00 N ATOM 715 CA MET A 46 5.398 7.471 -1.174 1.00 0.00 C ATOM 716 C MET A 46 4.931 6.648 0.022 1.00 0.00 C ATOM 717 O MET A 46 4.361 7.160 0.970 1.00 0.00 O ATOM 718 CB MET A 46 6.806 8.002 -0.906 1.00 0.00 C ATOM 719 CG MET A 46 7.360 8.629 -2.184 1.00 0.00 C ATOM 720 SD MET A 46 8.994 9.332 -1.852 1.00 0.00 S ATOM 721 CE MET A 46 9.856 7.775 -1.518 1.00 0.00 C ATOM 0 H MET A 46 4.788 9.504 -1.035 1.00 0.00 H new ATOM 0 HA MET A 46 5.406 6.835 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.782 8.741 -0.105 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.455 7.192 -0.573 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.429 7.877 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.685 9.405 -2.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.914 7.887 -1.756 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.746 7.517 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.428 6.983 -2.132 1.00 0.00 H new ATOM 731 N VAL A 47 5.177 5.368 -0.022 1.00 0.00 N ATOM 732 CA VAL A 47 4.768 4.470 1.099 1.00 0.00 C ATOM 733 C VAL A 47 5.913 3.512 1.407 1.00 0.00 C ATOM 734 O VAL A 47 6.771 3.269 0.577 1.00 0.00 O ATOM 735 CB VAL A 47 3.529 3.675 0.693 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.362 4.637 0.481 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.799 2.908 -0.604 1.00 0.00 C ATOM 0 H VAL A 47 5.649 4.899 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 47 4.536 5.064 1.983 1.00 0.00 H new ATOM 0 HB VAL A 47 3.284 2.964 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.475 4.074 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.163 5.177 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.615 5.347 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.910 2.344 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.048 3.612 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.632 2.221 -0.454 1.00 0.00 H new ATOM 747 N HIS A 48 5.933 2.972 2.596 1.00 0.00 N ATOM 748 CA HIS A 48 7.026 2.027 2.990 1.00 0.00 C ATOM 749 C HIS A 48 6.467 0.624 3.207 1.00 0.00 C ATOM 750 O HIS A 48 5.471 0.423 3.877 1.00 0.00 O ATOM 751 CB HIS A 48 7.681 2.518 4.280 1.00 0.00 C ATOM 752 CG HIS A 48 8.442 3.780 3.988 1.00 0.00 C ATOM 753 ND1 HIS A 48 7.843 5.029 4.018 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.753 4.001 3.648 1.00 0.00 C ATOM 755 CE1 HIS A 48 8.785 5.937 3.701 1.00 0.00 C ATOM 756 NE2 HIS A 48 9.968 5.363 3.467 1.00 0.00 N ATOM 0 H HIS A 48 5.235 3.145 3.319 1.00 0.00 H new ATOM 0 HA HIS A 48 7.765 1.991 2.189 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.923 2.702 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.352 1.756 4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.504 3.233 3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.606 7.000 3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 48 10.841 5.824 3.211 1.00 0.00 H new ATOM 764 N PHE A 49 7.125 -0.346 2.638 1.00 0.00 N ATOM 765 CA PHE A 49 6.680 -1.760 2.791 1.00 0.00 C ATOM 766 C PHE A 49 7.883 -2.682 2.610 1.00 0.00 C ATOM 767 O PHE A 49 8.875 -2.316 2.007 1.00 0.00 O ATOM 768 CB PHE A 49 5.612 -2.098 1.751 1.00 0.00 C ATOM 769 CG PHE A 49 6.165 -1.917 0.354 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.830 -2.973 -0.280 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.997 -0.696 -0.312 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.332 -2.808 -1.578 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.496 -0.532 -1.609 1.00 0.00 C ATOM 774 CZ PHE A 49 7.162 -1.588 -2.243 1.00 0.00 C ATOM 0 H PHE A 49 7.961 -0.219 2.067 1.00 0.00 H new ATOM 0 HA PHE A 49 6.253 -1.896 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.275 -3.126 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.742 -1.457 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.956 -3.916 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.482 0.119 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.850 -3.621 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.367 0.410 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.545 -1.461 -3.245 1.00 0.00 H new ATOM 784 N ASP A 50 7.796 -3.877 3.137 1.00 0.00 N ATOM 785 CA ASP A 50 8.927 -4.847 3.018 1.00 0.00 C ATOM 786 C ASP A 50 8.600 -5.890 1.931 1.00 0.00 C ATOM 787 O ASP A 50 7.450 -6.200 1.688 1.00 0.00 O ATOM 788 CB ASP A 50 9.125 -5.561 4.362 1.00 0.00 C ATOM 789 CG ASP A 50 9.927 -4.671 5.313 1.00 0.00 C ATOM 790 OD1 ASP A 50 10.073 -3.498 5.013 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.390 -5.177 6.321 1.00 0.00 O ATOM 0 H ASP A 50 6.985 -4.225 3.648 1.00 0.00 H new ATOM 0 HA ASP A 50 9.837 -4.313 2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.157 -5.799 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.646 -6.506 4.208 1.00 0.00 H new ATOM 796 N PRO A 51 9.609 -6.422 1.282 1.00 0.00 N ATOM 797 CA PRO A 51 9.445 -7.444 0.201 1.00 0.00 C ATOM 798 C PRO A 51 9.007 -8.809 0.724 1.00 0.00 C ATOM 799 O PRO A 51 9.105 -9.106 1.902 1.00 0.00 O ATOM 800 CB PRO A 51 10.842 -7.532 -0.429 1.00 0.00 C ATOM 801 CG PRO A 51 11.778 -7.143 0.668 1.00 0.00 C ATOM 802 CD PRO A 51 11.032 -6.104 1.502 1.00 0.00 C ATOM 0 HA PRO A 51 8.661 -7.156 -0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.051 -8.539 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.934 -6.862 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.052 -8.007 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.703 -6.730 0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.298 -6.174 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.268 -5.090 1.180 1.00 0.00 H new ATOM 810 N THR A 52 8.529 -9.642 -0.167 1.00 0.00 N ATOM 811 CA THR A 52 8.078 -11.007 0.227 1.00 0.00 C ATOM 812 C THR A 52 8.846 -12.051 -0.606 1.00 0.00 C ATOM 813 O THR A 52 9.213 -11.792 -1.738 1.00 0.00 O ATOM 814 CB THR A 52 6.578 -11.141 -0.032 1.00 0.00 C ATOM 815 OG1 THR A 52 6.309 -10.940 -1.414 1.00 0.00 O ATOM 816 CG2 THR A 52 5.837 -10.091 0.790 1.00 0.00 C ATOM 0 H THR A 52 8.432 -9.430 -1.160 1.00 0.00 H new ATOM 0 HA THR A 52 8.274 -11.171 1.287 1.00 0.00 H new ATOM 0 HB THR A 52 6.244 -12.138 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.957 -10.036 -1.551 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.765 -10.179 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.042 -10.246 1.849 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.173 -9.096 0.497 1.00 0.00 H new ATOM 824 N PRO A 53 9.086 -13.224 -0.061 1.00 0.00 N ATOM 825 CA PRO A 53 9.819 -14.301 -0.787 1.00 0.00 C ATOM 826 C PRO A 53 9.230 -14.557 -2.175 1.00 0.00 C ATOM 827 O PRO A 53 9.942 -14.606 -3.163 1.00 0.00 O ATOM 828 CB PRO A 53 9.626 -15.541 0.105 1.00 0.00 C ATOM 829 CG PRO A 53 9.371 -15.005 1.475 1.00 0.00 C ATOM 830 CD PRO A 53 8.690 -13.652 1.291 1.00 0.00 C ATOM 0 HA PRO A 53 10.864 -14.040 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.790 -16.149 -0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.511 -16.178 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.737 -15.684 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.303 -14.898 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.607 -13.737 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.017 -12.937 2.046 1.00 0.00 H new ATOM 838 N THR A 54 7.929 -14.724 -2.236 1.00 0.00 N ATOM 839 CA THR A 54 7.241 -14.994 -3.536 1.00 0.00 C ATOM 840 C THR A 54 7.923 -14.220 -4.678 1.00 0.00 C ATOM 841 O THR A 54 7.692 -13.039 -4.860 1.00 0.00 O ATOM 842 CB THR A 54 5.772 -14.571 -3.442 1.00 0.00 C ATOM 843 OG1 THR A 54 5.257 -14.379 -4.750 1.00 0.00 O ATOM 844 CG2 THR A 54 5.645 -13.273 -2.651 1.00 0.00 C ATOM 0 H THR A 54 7.308 -14.684 -1.428 1.00 0.00 H new ATOM 0 HA THR A 54 7.303 -16.062 -3.746 1.00 0.00 H new ATOM 0 HB THR A 54 5.208 -15.352 -2.931 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.316 -14.110 -4.695 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.596 -12.984 -2.592 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.038 -13.420 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.211 -12.486 -3.150 1.00 0.00 H new ATOM 852 N PRO A 55 8.766 -14.875 -5.442 1.00 0.00 N ATOM 853 CA PRO A 55 9.486 -14.225 -6.567 1.00 0.00 C ATOM 854 C PRO A 55 8.579 -14.080 -7.787 1.00 0.00 C ATOM 855 O PRO A 55 8.866 -13.338 -8.709 1.00 0.00 O ATOM 856 CB PRO A 55 10.654 -15.178 -6.847 1.00 0.00 C ATOM 857 CG PRO A 55 10.163 -16.531 -6.430 1.00 0.00 C ATOM 858 CD PRO A 55 9.109 -16.307 -5.340 1.00 0.00 C ATOM 0 HA PRO A 55 9.818 -13.214 -6.332 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.928 -15.166 -7.902 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.542 -14.890 -6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.734 -17.064 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.984 -17.140 -6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.234 -16.937 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.502 -16.551 -4.353 1.00 0.00 H new ATOM 866 N LYS A 56 7.485 -14.800 -7.789 1.00 0.00 N ATOM 867 CA LYS A 56 6.532 -14.740 -8.940 1.00 0.00 C ATOM 868 C LYS A 56 5.147 -14.323 -8.452 1.00 0.00 C ATOM 869 O LYS A 56 4.353 -15.137 -8.022 1.00 0.00 O ATOM 870 CB LYS A 56 6.439 -16.120 -9.600 1.00 0.00 C ATOM 871 CG LYS A 56 5.704 -16.003 -10.948 1.00 0.00 C ATOM 872 CD LYS A 56 6.700 -15.638 -12.055 1.00 0.00 C ATOM 873 CE LYS A 56 5.967 -15.531 -13.389 1.00 0.00 C ATOM 874 NZ LYS A 56 5.394 -16.858 -13.748 1.00 0.00 N ATOM 0 H LYS A 56 7.209 -15.431 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 56 6.895 -14.008 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.438 -16.528 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.909 -16.812 -8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.211 -16.946 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.925 -15.243 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.189 -14.693 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.482 -16.394 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.174 -14.787 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.653 -15.196 -14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.215 -16.893 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.066 -17.608 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.500 -17.000 -13.235 1.00 0.00 H new ATOM 888 N GLY A 57 4.860 -13.053 -8.525 1.00 0.00 N ATOM 889 CA GLY A 57 3.528 -12.535 -8.083 1.00 0.00 C ATOM 890 C GLY A 57 3.740 -11.282 -7.230 1.00 0.00 C ATOM 891 O GLY A 57 2.938 -10.367 -7.227 1.00 0.00 O ATOM 0 H GLY A 57 5.499 -12.340 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.909 -12.301 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.999 -13.296 -7.509 1.00 0.00 H new ATOM 895 N LEU A 58 4.832 -11.243 -6.514 1.00 0.00 N ATOM 896 CA LEU A 58 5.151 -10.066 -5.648 1.00 0.00 C ATOM 897 C LEU A 58 4.044 -9.841 -4.619 1.00 0.00 C ATOM 898 O LEU A 58 2.874 -10.078 -4.869 1.00 0.00 O ATOM 899 CB LEU A 58 5.322 -8.810 -6.505 1.00 0.00 C ATOM 900 CG LEU A 58 6.355 -9.078 -7.606 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.486 -7.838 -8.495 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.721 -9.404 -6.978 1.00 0.00 C ATOM 0 H LEU A 58 5.528 -11.988 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 58 6.084 -10.271 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.367 -8.527 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.645 -7.975 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 58 6.026 -9.927 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.220 -8.028 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.521 -7.612 -8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.810 -6.990 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.449 -9.593 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.053 -8.561 -6.372 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.630 -10.289 -6.349 1.00 0.00 H new ATOM 914 N ALA A 59 4.418 -9.382 -3.456 1.00 0.00 N ATOM 915 CA ALA A 59 3.413 -9.131 -2.385 1.00 0.00 C ATOM 916 C ALA A 59 4.003 -8.172 -1.354 1.00 0.00 C ATOM 917 O ALA A 59 5.208 -8.027 -1.243 1.00 0.00 O ATOM 918 CB ALA A 59 3.044 -10.448 -1.701 1.00 0.00 C ATOM 0 H ALA A 59 5.382 -9.169 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 59 2.518 -8.692 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.309 -10.258 -0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.623 -11.134 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.937 -10.892 -1.260 1.00 0.00 H new ATOM 924 N ALA A 60 3.157 -7.516 -0.605 1.00 0.00 N ATOM 925 CA ALA A 60 3.639 -6.548 0.428 1.00 0.00 C ATOM 926 C ALA A 60 3.141 -6.957 1.812 1.00 0.00 C ATOM 927 O ALA A 60 1.970 -7.221 2.024 1.00 0.00 O ATOM 928 CB ALA A 60 3.115 -5.152 0.093 1.00 0.00 C ATOM 0 H ALA A 60 2.143 -7.609 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 60 4.729 -6.546 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.464 -4.443 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.482 -4.852 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.025 -5.165 0.085 1.00 0.00 H new ATOM 934 N LYS A 61 4.045 -7.000 2.752 1.00 0.00 N ATOM 935 CA LYS A 61 3.697 -7.374 4.154 1.00 0.00 C ATOM 936 C LYS A 61 4.229 -6.293 5.097 1.00 0.00 C ATOM 937 O LYS A 61 5.226 -5.646 4.822 1.00 0.00 O ATOM 938 CB LYS A 61 4.333 -8.722 4.506 1.00 0.00 C ATOM 939 CG LYS A 61 3.676 -9.834 3.682 1.00 0.00 C ATOM 940 CD LYS A 61 4.288 -11.187 4.060 1.00 0.00 C ATOM 941 CE LYS A 61 3.705 -12.287 3.169 1.00 0.00 C ATOM 942 NZ LYS A 61 2.254 -12.462 3.471 1.00 0.00 N ATOM 0 H LYS A 61 5.032 -6.787 2.604 1.00 0.00 H new ATOM 0 HA LYS A 61 2.615 -7.458 4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.404 -8.693 4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.212 -8.925 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.601 -9.847 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.818 -9.644 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.371 -11.151 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.084 -11.409 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.839 -12.027 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.237 -13.224 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.916 -13.351 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.115 -12.493 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.718 -11.664 3.073 1.00 0.00 H new ATOM 956 N ALA A 62 3.558 -6.092 6.197 1.00 0.00 N ATOM 957 CA ALA A 62 3.988 -5.052 7.177 1.00 0.00 C ATOM 958 C ALA A 62 4.088 -3.698 6.470 1.00 0.00 C ATOM 959 O ALA A 62 5.115 -3.044 6.478 1.00 0.00 O ATOM 960 CB ALA A 62 5.340 -5.441 7.784 1.00 0.00 C ATOM 0 H ALA A 62 2.720 -6.609 6.463 1.00 0.00 H new ATOM 0 HA ALA A 62 3.255 -4.978 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.651 -4.679 8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.248 -6.400 8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.085 -5.521 6.992 1.00 0.00 H new ATOM 966 N ILE A 63 3.013 -3.290 5.852 1.00 0.00 N ATOM 967 CA ILE A 63 2.998 -1.991 5.117 1.00 0.00 C ATOM 968 C ILE A 63 2.918 -0.821 6.094 1.00 0.00 C ATOM 969 O ILE A 63 2.162 -0.839 7.051 1.00 0.00 O ATOM 970 CB ILE A 63 1.790 -1.962 4.177 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.978 -3.035 3.102 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.676 -0.584 3.518 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.680 -3.208 2.310 1.00 0.00 C ATOM 0 H ILE A 63 2.134 -3.807 5.824 1.00 0.00 H new ATOM 0 HA ILE A 63 3.919 -1.897 4.542 1.00 0.00 H new ATOM 0 HB ILE A 63 0.878 -2.158 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.789 -2.752 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.261 -3.980 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.814 -0.570 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.551 0.178 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.581 -0.378 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.819 -3.973 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.121 -3.511 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.416 -2.264 1.834 1.00 0.00 H new ATOM 985 N SER A 64 3.704 0.196 5.851 1.00 0.00 N ATOM 986 CA SER A 64 3.715 1.395 6.745 1.00 0.00 C ATOM 987 C SER A 64 3.510 2.663 5.916 1.00 0.00 C ATOM 988 O SER A 64 3.843 2.731 4.746 1.00 0.00 O ATOM 989 CB SER A 64 5.054 1.474 7.469 1.00 0.00 C ATOM 990 OG SER A 64 5.120 0.439 8.438 1.00 0.00 O ATOM 0 H SER A 64 4.347 0.248 5.061 1.00 0.00 H new ATOM 0 HA SER A 64 2.908 1.308 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.873 1.375 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.165 2.446 7.949 1.00 0.00 H new ATOM 0 HG SER A 64 5.980 0.483 8.906 1.00 0.00 H new ATOM 996 N LEU A 65 2.946 3.658 6.535 1.00 0.00 N ATOM 997 CA LEU A 65 2.665 4.953 5.846 1.00 0.00 C ATOM 998 C LEU A 65 3.115 6.101 6.770 1.00 0.00 C ATOM 999 O LEU A 65 2.330 6.642 7.526 1.00 0.00 O ATOM 1000 CB LEU A 65 1.150 5.064 5.559 1.00 0.00 C ATOM 1001 CG LEU A 65 0.358 4.160 6.516 1.00 0.00 C ATOM 1002 CD1 LEU A 65 0.497 4.674 7.951 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -1.111 4.173 6.111 1.00 0.00 C ATOM 0 H LEU A 65 2.660 3.631 7.514 1.00 0.00 H new ATOM 0 HA LEU A 65 3.205 5.007 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.826 6.098 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.947 4.779 4.527 1.00 0.00 H new ATOM 0 HG LEU A 65 0.748 3.143 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.067 4.029 8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.548 4.669 8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.109 5.691 8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.680 3.533 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.495 5.192 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.210 3.803 5.090 1.00 0.00 H new ATOM 1015 N PRO A 66 4.368 6.467 6.715 1.00 0.00 N ATOM 1016 CA PRO A 66 4.925 7.552 7.566 1.00 0.00 C ATOM 1017 C PRO A 66 4.665 8.941 6.966 1.00 0.00 C ATOM 1018 O PRO A 66 5.061 9.952 7.515 1.00 0.00 O ATOM 1019 CB PRO A 66 6.422 7.231 7.593 1.00 0.00 C ATOM 1020 CG PRO A 66 6.698 6.584 6.269 1.00 0.00 C ATOM 1021 CD PRO A 66 5.397 5.890 5.836 1.00 0.00 C ATOM 0 HA PRO A 66 4.471 7.588 8.556 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.018 8.134 7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.669 6.564 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.004 7.326 5.532 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.512 5.863 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.175 6.080 4.786 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.463 4.809 5.957 1.00 0.00 H new ATOM 1029 N LEU A 67 3.998 8.991 5.840 1.00 0.00 N ATOM 1030 CA LEU A 67 3.704 10.307 5.187 1.00 0.00 C ATOM 1031 C LEU A 67 2.273 10.743 5.520 1.00 0.00 C ATOM 1032 O LEU A 67 1.320 10.019 5.308 1.00 0.00 O ATOM 1033 CB LEU A 67 3.874 10.166 3.663 1.00 0.00 C ATOM 1034 CG LEU A 67 5.343 10.384 3.285 1.00 0.00 C ATOM 1035 CD1 LEU A 67 6.209 9.301 3.930 1.00 0.00 C ATOM 1036 CD2 LEU A 67 5.494 10.323 1.763 1.00 0.00 C ATOM 0 H LEU A 67 3.643 8.175 5.342 1.00 0.00 H new ATOM 0 HA LEU A 67 4.396 11.063 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.549 9.177 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.244 10.892 3.148 1.00 0.00 H new ATOM 0 HG LEU A 67 5.666 11.362 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.253 9.460 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.105 9.349 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.888 8.321 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.539 10.478 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.168 9.347 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.883 11.101 1.305 1.00 0.00 H new ATOM 1048 N GLU A 68 2.134 11.931 6.045 1.00 0.00 N ATOM 1049 CA GLU A 68 0.785 12.457 6.415 1.00 0.00 C ATOM 1050 C GLU A 68 0.217 13.309 5.279 1.00 0.00 C ATOM 1051 O GLU A 68 0.935 13.966 4.548 1.00 0.00 O ATOM 1052 CB GLU A 68 0.905 13.308 7.683 1.00 0.00 C ATOM 1053 CG GLU A 68 1.875 14.471 7.435 1.00 0.00 C ATOM 1054 CD GLU A 68 2.059 15.277 8.724 1.00 0.00 C ATOM 1055 OE1 GLU A 68 2.096 14.670 9.783 1.00 0.00 O ATOM 1056 OE2 GLU A 68 2.163 16.489 8.631 1.00 0.00 O ATOM 0 H GLU A 68 2.907 12.568 6.236 1.00 0.00 H new ATOM 0 HA GLU A 68 0.113 11.618 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.074 13.693 7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.261 12.695 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.837 14.088 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.490 15.115 6.644 1.00 0.00 H new ATOM 1063 N HIS A 69 -1.077 13.287 5.132 1.00 0.00 N ATOM 1064 CA HIS A 69 -1.735 14.071 4.051 1.00 0.00 C ATOM 1065 C HIS A 69 -1.688 15.565 4.372 1.00 0.00 C ATOM 1066 O HIS A 69 -1.986 15.998 5.471 1.00 0.00 O ATOM 1067 CB HIS A 69 -3.190 13.619 3.918 1.00 0.00 C ATOM 1068 CG HIS A 69 -3.840 14.359 2.786 1.00 0.00 C ATOM 1069 ND1 HIS A 69 -3.493 14.132 1.463 1.00 0.00 N ATOM 1070 CD2 HIS A 69 -4.814 15.326 2.756 1.00 0.00 C ATOM 1071 CE1 HIS A 69 -4.244 14.947 0.700 1.00 0.00 C ATOM 1072 NE2 HIS A 69 -5.067 15.696 1.439 1.00 0.00 N ATOM 0 H HIS A 69 -1.715 12.753 5.722 1.00 0.00 H new ATOM 0 HA HIS A 69 -1.206 13.900 3.113 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.234 12.545 3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.728 13.808 4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.309 15.737 3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.188 14.990 -0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.737 16.390 1.109 1.00 0.00 H new ATOM 1080 N HIS A 70 -1.304 16.351 3.404 1.00 0.00 N ATOM 1081 CA HIS A 70 -1.215 17.827 3.604 1.00 0.00 C ATOM 1082 C HIS A 70 -1.550 18.536 2.284 1.00 0.00 C ATOM 1083 O HIS A 70 -2.554 18.261 1.651 1.00 0.00 O ATOM 1084 CB HIS A 70 0.213 18.194 4.023 1.00 0.00 C ATOM 1085 CG HIS A 70 0.237 19.611 4.521 1.00 0.00 C ATOM 1086 ND1 HIS A 70 0.801 20.646 3.791 1.00 0.00 N ATOM 1087 CD2 HIS A 70 -0.231 20.179 5.678 1.00 0.00 C ATOM 1088 CE1 HIS A 70 0.659 21.774 4.512 1.00 0.00 C ATOM 1089 NE2 HIS A 70 0.036 21.546 5.671 1.00 0.00 N ATOM 0 H HIS A 70 -1.045 16.030 2.471 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.917 18.136 4.378 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.561 17.517 4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.892 18.082 3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.731 19.647 6.474 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.007 22.745 4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.195 22.226 6.395 1.00 0.00 H new ATOM 1097 N HIS A 71 -0.707 19.447 1.877 1.00 0.00 N ATOM 1098 CA HIS A 71 -0.939 20.200 0.613 1.00 0.00 C ATOM 1099 C HIS A 71 -2.363 20.760 0.599 1.00 0.00 C ATOM 1100 O HIS A 71 -3.263 20.212 -0.015 1.00 0.00 O ATOM 1101 CB HIS A 71 -0.720 19.280 -0.591 1.00 0.00 C ATOM 1102 CG HIS A 71 -0.905 20.072 -1.854 1.00 0.00 C ATOM 1103 ND1 HIS A 71 -0.007 21.052 -2.250 1.00 0.00 N ATOM 1104 CD2 HIS A 71 -1.887 20.053 -2.812 1.00 0.00 C ATOM 1105 CE1 HIS A 71 -0.465 21.580 -3.400 1.00 0.00 C ATOM 1106 NE2 HIS A 71 -1.608 21.007 -3.788 1.00 0.00 N ATOM 0 H HIS A 71 0.145 19.704 2.375 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.233 21.028 0.554 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.282 18.851 -0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.424 18.448 -0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.746 19.398 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.031 22.371 -3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.158 21.222 -4.620 1.00 0.00 H new ATOM 1114 N HIS A 72 -2.565 21.854 1.284 1.00 0.00 N ATOM 1115 CA HIS A 72 -3.921 22.473 1.339 1.00 0.00 C ATOM 1116 C HIS A 72 -4.176 23.296 0.076 1.00 0.00 C ATOM 1117 O HIS A 72 -3.326 24.032 -0.391 1.00 0.00 O ATOM 1118 CB HIS A 72 -4.014 23.375 2.572 1.00 0.00 C ATOM 1119 CG HIS A 72 -3.887 22.531 3.811 1.00 0.00 C ATOM 1120 ND1 HIS A 72 -3.801 23.082 5.079 1.00 0.00 N ATOM 1121 CD2 HIS A 72 -3.837 21.171 3.989 1.00 0.00 C ATOM 1122 CE1 HIS A 72 -3.706 22.067 5.956 1.00 0.00 C ATOM 1123 NE2 HIS A 72 -3.723 20.879 5.345 1.00 0.00 N ATOM 0 H HIS A 72 -1.845 22.348 1.811 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.673 21.687 1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.226 24.128 2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.964 23.909 2.577 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.880 20.438 3.197 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.626 22.197 7.025 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.665 19.958 5.778 1.00 0.00 H new ATOM 1131 N HIS A 73 -5.355 23.173 -0.470 1.00 0.00 N ATOM 1132 CA HIS A 73 -5.709 23.936 -1.701 1.00 0.00 C ATOM 1133 C HIS A 73 -5.782 25.431 -1.379 1.00 0.00 C ATOM 1134 O HIS A 73 -5.325 26.266 -2.137 1.00 0.00 O ATOM 1135 CB HIS A 73 -7.077 23.465 -2.209 1.00 0.00 C ATOM 1136 CG HIS A 73 -6.972 22.056 -2.728 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -6.501 21.774 -4.000 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -7.275 20.841 -2.162 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -6.533 20.439 -4.158 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -6.996 19.822 -3.068 1.00 0.00 N ATOM 0 H HIS A 73 -6.096 22.570 -0.112 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.949 23.766 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.810 23.512 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.429 24.128 -2.999 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.669 20.699 -1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.222 19.928 -5.057 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.119 18.819 -2.929 1.00 0.00 H new ATOM 1148 N HIS A 74 -6.367 25.772 -0.259 1.00 0.00 N ATOM 1149 CA HIS A 74 -6.485 27.212 0.123 1.00 0.00 C ATOM 1150 C HIS A 74 -5.208 27.661 0.839 1.00 0.00 C ATOM 1151 O HIS A 74 -5.265 27.846 2.042 1.00 0.00 O ATOM 1152 CB HIS A 74 -7.694 27.397 1.052 1.00 0.00 C ATOM 1153 CG HIS A 74 -7.756 26.273 2.056 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -7.518 26.477 3.407 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -8.043 24.934 1.926 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -7.663 25.293 4.030 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -7.983 24.320 3.174 1.00 0.00 N ATOM 1158 OXT HIS A 74 -4.200 27.823 0.169 1.00 0.00 O ATOM 0 H HIS A 74 -6.769 25.114 0.409 1.00 0.00 H new ATOM 0 HA HIS A 74 -6.623 27.816 -0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.621 28.353 1.570 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -8.612 27.421 0.465 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.279 24.435 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.536 25.148 5.093 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.148 23.337 3.388 1.00 0.00 H new TER 1166 HIS A 74