USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 67 THR OG1 : rot -134:sc= 1.38 USER MOD Set 1.2: A 73 CYS SG : rot -169:sc= -4.33! USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0.765 K(o=-0.74,f=-2.5) USER MOD Set 2.2: A 9 SER OG : rot -132:sc= -1.5! USER MOD Set 3.1: A 1 MET N :NH3+ 150:sc= 0.562 (180deg=0.249!) USER MOD Set 3.2: A 53 GLN : amide:sc= -0.727 K(o=-0.17,f=-3.2) USER MOD Single : A 1 MET CE :methyl -129:sc= -0.0105 (180deg=-2.34!) USER MOD Single : A 3 HIS : no HE2:sc= 0.139 K(o=0.14,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00252 X(o=-0.0025,f=-0.0025) USER MOD Single : A 7 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 8 HIS : no HE2:sc= 0.573 K(o=0.57,f=-1.8!) USER MOD Single : A 10 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.041) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.757 (180deg=-1.76!) USER MOD Single : A 19 HIS : no HD1:sc=-0.00156 X(o=-0.0016,f=-0.3) USER MOD Single : A 22 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.017) USER MOD Single : A 29 THR OG1 : rot 78:sc= 0.997 USER MOD Single : A 33 SER OG : rot 80:sc= 0.0644 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.735 X(o=-0.74,f=-1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 92:sc= -1.37 USER MOD Single : A 45 GLN : amide:sc= 0.655 K(o=0.65,f=-0.00013) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= -0.585 (180deg=-2.06!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -116:sc= -1.03 (180deg=-4.41!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= -0.0765 (180deg=-0.101) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.313 USER MOD Single : A 71 THR OG1 : rot 66:sc= -0.0355 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.556 -14.610 1.724 1.00 0.00 N ATOM 2 CA MET A 1 1.833 -15.640 0.707 1.00 0.00 C ATOM 3 C MET A 1 1.187 -16.962 1.126 1.00 0.00 C ATOM 4 O MET A 1 1.332 -17.364 2.283 1.00 0.00 O ATOM 5 CB MET A 1 3.360 -15.813 0.492 1.00 0.00 C ATOM 6 CG MET A 1 4.092 -14.544 0.017 1.00 0.00 C ATOM 7 SD MET A 1 4.029 -13.192 1.218 1.00 0.00 S ATOM 8 CE MET A 1 5.147 -11.972 0.514 1.00 0.00 C ATOM 0 H1 MET A 1 2.338 -13.925 1.746 1.00 0.00 H new ATOM 0 H2 MET A 1 0.671 -14.118 1.487 1.00 0.00 H new ATOM 0 H3 MET A 1 1.463 -15.060 2.657 1.00 0.00 H new ATOM 0 HA MET A 1 1.403 -15.322 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.809 -16.146 1.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.523 -16.605 -0.239 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.134 -14.789 -0.190 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.651 -14.208 -0.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.866 -11.658 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.678 -12.410 -0.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.576 -11.108 0.175 1.00 0.00 H new ATOM 20 N GLY A 2 0.488 -17.621 0.170 1.00 0.00 N ATOM 21 CA GLY A 2 -0.212 -18.887 0.419 1.00 0.00 C ATOM 22 C GLY A 2 0.719 -19.993 0.894 1.00 0.00 C ATOM 23 O GLY A 2 1.578 -20.440 0.134 1.00 0.00 O ATOM 0 H GLY A 2 0.399 -17.284 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.989 -18.726 1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.711 -19.207 -0.496 1.00 0.00 H new ATOM 27 N HIS A 3 0.560 -20.419 2.165 1.00 0.00 N ATOM 28 CA HIS A 3 1.426 -21.443 2.782 1.00 0.00 C ATOM 29 C HIS A 3 0.655 -22.338 3.776 1.00 0.00 C ATOM 30 O HIS A 3 1.274 -23.126 4.493 1.00 0.00 O ATOM 31 CB HIS A 3 2.661 -20.777 3.467 1.00 0.00 C ATOM 32 CG HIS A 3 2.358 -19.903 4.673 1.00 0.00 C ATOM 33 ND1 HIS A 3 2.429 -18.531 4.652 1.00 0.00 N ATOM 34 CD2 HIS A 3 2.023 -20.233 5.947 1.00 0.00 C ATOM 35 CE1 HIS A 3 2.155 -18.058 5.849 1.00 0.00 C ATOM 36 NE2 HIS A 3 1.904 -19.068 6.652 1.00 0.00 N ATOM 0 H HIS A 3 -0.167 -20.065 2.787 1.00 0.00 H new ATOM 0 HA HIS A 3 1.781 -22.093 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.349 -21.564 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.181 -20.172 2.725 1.00 0.00 H new ATOM 0 HD1 HIS A 3 2.659 -17.966 3.834 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.877 -21.231 6.332 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.139 -17.014 6.126 1.00 0.00 H new ATOM 45 N HIS A 4 -0.686 -22.206 3.818 1.00 0.00 N ATOM 46 CA HIS A 4 -1.542 -23.034 4.696 1.00 0.00 C ATOM 47 C HIS A 4 -1.486 -24.497 4.227 1.00 0.00 C ATOM 48 O HIS A 4 -2.060 -24.834 3.189 1.00 0.00 O ATOM 49 CB HIS A 4 -3.010 -22.530 4.682 1.00 0.00 C ATOM 50 CG HIS A 4 -3.215 -21.167 5.321 1.00 0.00 C ATOM 51 ND1 HIS A 4 -3.675 -20.066 4.631 1.00 0.00 N ATOM 52 CD2 HIS A 4 -3.049 -20.753 6.599 1.00 0.00 C ATOM 53 CE1 HIS A 4 -3.783 -19.044 5.457 1.00 0.00 C ATOM 54 NE2 HIS A 4 -3.410 -19.435 6.653 1.00 0.00 N ATOM 0 H HIS A 4 -1.202 -21.532 3.253 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.170 -22.958 5.718 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.357 -22.489 3.649 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.635 -23.257 5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.696 -21.353 7.425 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.121 -18.053 5.194 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.392 -18.850 7.488 1.00 0.00 H new ATOM 63 N HIS A 5 -0.769 -25.346 4.996 1.00 0.00 N ATOM 64 CA HIS A 5 -0.469 -26.751 4.624 1.00 0.00 C ATOM 65 C HIS A 5 -1.710 -27.656 4.737 1.00 0.00 C ATOM 66 O HIS A 5 -1.833 -28.464 5.655 1.00 0.00 O ATOM 67 CB HIS A 5 0.732 -27.296 5.456 1.00 0.00 C ATOM 68 CG HIS A 5 2.052 -26.619 5.139 1.00 0.00 C ATOM 69 ND1 HIS A 5 2.853 -26.987 4.082 1.00 0.00 N ATOM 70 CD2 HIS A 5 2.699 -25.601 5.750 1.00 0.00 C ATOM 71 CE1 HIS A 5 3.928 -26.231 4.057 1.00 0.00 C ATOM 72 NE2 HIS A 5 3.861 -25.374 5.049 1.00 0.00 N ATOM 0 H HIS A 5 -0.379 -25.076 5.899 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.178 -26.763 3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.515 -27.170 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.831 -28.367 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.365 -25.065 6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.732 -26.303 3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.555 -24.658 5.264 1.00 0.00 H new ATOM 81 N HIS A 6 -2.643 -27.460 3.786 1.00 0.00 N ATOM 82 CA HIS A 6 -3.938 -28.172 3.685 1.00 0.00 C ATOM 83 C HIS A 6 -4.350 -28.164 2.200 1.00 0.00 C ATOM 84 O HIS A 6 -5.456 -27.740 1.862 1.00 0.00 O ATOM 85 CB HIS A 6 -5.045 -27.485 4.555 1.00 0.00 C ATOM 86 CG HIS A 6 -4.831 -27.546 6.048 1.00 0.00 C ATOM 87 ND1 HIS A 6 -5.327 -28.554 6.835 1.00 0.00 N ATOM 88 CD2 HIS A 6 -4.180 -26.705 6.887 1.00 0.00 C ATOM 89 CE1 HIS A 6 -4.987 -28.341 8.087 1.00 0.00 C ATOM 90 NE2 HIS A 6 -4.296 -27.227 8.147 1.00 0.00 N ATOM 0 H HIS A 6 -2.514 -26.778 3.039 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.828 -29.190 4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.118 -26.439 4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.004 -27.949 4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.667 -25.795 6.614 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.235 -28.976 8.925 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.908 -26.816 8.996 1.00 0.00 H new ATOM 99 N HIS A 7 -3.406 -28.592 1.322 1.00 0.00 N ATOM 100 CA HIS A 7 -3.547 -28.553 -0.166 1.00 0.00 C ATOM 101 C HIS A 7 -3.545 -27.082 -0.700 1.00 0.00 C ATOM 102 O HIS A 7 -3.712 -26.831 -1.897 1.00 0.00 O ATOM 103 CB HIS A 7 -4.802 -29.372 -0.637 1.00 0.00 C ATOM 104 CG HIS A 7 -4.995 -29.481 -2.141 1.00 0.00 C ATOM 105 ND1 HIS A 7 -4.230 -30.299 -2.946 1.00 0.00 N ATOM 106 CD2 HIS A 7 -5.861 -28.843 -2.980 1.00 0.00 C ATOM 107 CE1 HIS A 7 -4.604 -30.152 -4.203 1.00 0.00 C ATOM 108 NE2 HIS A 7 -5.587 -29.276 -4.249 1.00 0.00 N ATOM 0 H HIS A 7 -2.513 -28.979 1.627 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.676 -29.039 -0.605 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.731 -30.379 -0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.693 -28.914 -0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.621 -28.130 -2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.176 -30.664 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.067 -28.970 -5.095 1.00 0.00 H new ATOM 117 N HIS A 8 -3.285 -26.108 0.199 1.00 0.00 N ATOM 118 CA HIS A 8 -3.286 -24.669 -0.125 1.00 0.00 C ATOM 119 C HIS A 8 -1.940 -24.035 0.291 1.00 0.00 C ATOM 120 O HIS A 8 -1.876 -22.850 0.606 1.00 0.00 O ATOM 121 CB HIS A 8 -4.482 -23.957 0.580 1.00 0.00 C ATOM 122 CG HIS A 8 -5.851 -24.373 0.085 1.00 0.00 C ATOM 123 ND1 HIS A 8 -6.569 -25.406 0.643 1.00 0.00 N ATOM 124 CD2 HIS A 8 -6.613 -23.894 -0.922 1.00 0.00 C ATOM 125 CE1 HIS A 8 -7.710 -25.546 -0.003 1.00 0.00 C ATOM 126 NE2 HIS A 8 -7.761 -24.645 -0.958 1.00 0.00 N ATOM 0 H HIS A 8 -3.067 -26.302 1.176 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.407 -24.544 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.423 -24.153 1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.375 -22.880 0.447 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.266 -25.975 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.365 -23.072 -1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.474 -26.278 0.216 1.00 0.00 H new ATOM 135 N SER A 9 -0.845 -24.822 0.223 1.00 0.00 N ATOM 136 CA SER A 9 0.534 -24.341 0.530 1.00 0.00 C ATOM 137 C SER A 9 1.145 -23.549 -0.651 1.00 0.00 C ATOM 138 O SER A 9 2.363 -23.390 -0.739 1.00 0.00 O ATOM 139 CB SER A 9 1.443 -25.533 0.879 1.00 0.00 C ATOM 140 OG SER A 9 0.878 -26.326 1.897 1.00 0.00 O ATOM 0 H SER A 9 -0.883 -25.806 -0.044 1.00 0.00 H new ATOM 0 HA SER A 9 0.463 -23.668 1.384 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.606 -26.141 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.419 -25.168 1.199 1.00 0.00 H new ATOM 0 HG SER A 9 1.556 -26.514 2.579 1.00 0.00 H new ATOM 146 N HIS A 10 0.276 -23.021 -1.516 1.00 0.00 N ATOM 147 CA HIS A 10 0.633 -22.300 -2.729 1.00 0.00 C ATOM 148 C HIS A 10 -0.471 -21.283 -3.008 1.00 0.00 C ATOM 149 O HIS A 10 -1.611 -21.453 -2.548 1.00 0.00 O ATOM 150 CB HIS A 10 0.761 -23.273 -3.925 1.00 0.00 C ATOM 151 CG HIS A 10 -0.520 -24.004 -4.268 1.00 0.00 C ATOM 152 ND1 HIS A 10 -1.220 -23.795 -5.432 1.00 0.00 N ATOM 153 CD2 HIS A 10 -1.224 -24.929 -3.573 1.00 0.00 C ATOM 154 CE1 HIS A 10 -2.295 -24.553 -5.439 1.00 0.00 C ATOM 155 NE2 HIS A 10 -2.327 -25.250 -4.319 1.00 0.00 N ATOM 0 H HIS A 10 -0.733 -23.089 -1.381 1.00 0.00 H new ATOM 0 HA HIS A 10 1.594 -21.803 -2.596 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.093 -22.714 -4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.536 -24.006 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.964 -25.338 -2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.029 -24.597 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.052 -25.916 -4.053 1.00 0.00 H new ATOM 164 N MET A 11 -0.135 -20.244 -3.763 1.00 0.00 N ATOM 165 CA MET A 11 -1.111 -19.245 -4.191 1.00 0.00 C ATOM 166 C MET A 11 -1.698 -19.667 -5.541 1.00 0.00 C ATOM 167 O MET A 11 -1.122 -19.373 -6.597 1.00 0.00 O ATOM 168 CB MET A 11 -0.446 -17.856 -4.280 1.00 0.00 C ATOM 169 CG MET A 11 -1.425 -16.701 -4.488 1.00 0.00 C ATOM 170 SD MET A 11 -2.623 -16.565 -3.149 1.00 0.00 S ATOM 171 CE MET A 11 -3.580 -15.141 -3.658 1.00 0.00 C ATOM 0 H MET A 11 0.814 -20.069 -4.095 1.00 0.00 H new ATOM 0 HA MET A 11 -1.919 -19.178 -3.462 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.119 -17.677 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.271 -17.861 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.869 -15.767 -4.570 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.953 -16.841 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.158 -14.770 -2.812 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.908 -14.358 -4.010 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.258 -15.427 -4.463 1.00 0.00 H new ATOM 181 N ALA A 12 -2.806 -20.436 -5.497 1.00 0.00 N ATOM 182 CA ALA A 12 -3.531 -20.837 -6.715 1.00 0.00 C ATOM 183 C ALA A 12 -4.124 -19.590 -7.368 1.00 0.00 C ATOM 184 O ALA A 12 -5.190 -19.135 -6.946 1.00 0.00 O ATOM 185 CB ALA A 12 -4.631 -21.869 -6.395 1.00 0.00 C ATOM 0 H ALA A 12 -3.215 -20.790 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.837 -21.315 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.149 -22.146 -7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.179 -22.756 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.344 -21.435 -5.693 1.00 0.00 H new ATOM 191 N ASP A 13 -3.370 -19.023 -8.344 1.00 0.00 N ATOM 192 CA ASP A 13 -3.637 -17.707 -8.969 1.00 0.00 C ATOM 193 C ASP A 13 -3.460 -16.574 -7.918 1.00 0.00 C ATOM 194 O ASP A 13 -4.197 -16.541 -6.939 1.00 0.00 O ATOM 195 CB ASP A 13 -5.047 -17.630 -9.629 1.00 0.00 C ATOM 196 CG ASP A 13 -5.193 -18.617 -10.792 1.00 0.00 C ATOM 197 OD1 ASP A 13 -4.826 -18.271 -11.931 1.00 0.00 O ATOM 198 OD2 ASP A 13 -5.649 -19.755 -10.565 1.00 0.00 O ATOM 0 H ASP A 13 -2.542 -19.480 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.911 -17.575 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.810 -17.839 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.223 -16.617 -9.990 1.00 0.00 H new ATOM 203 N PRO A 14 -2.474 -15.637 -8.082 1.00 0.00 N ATOM 204 CA PRO A 14 -2.270 -14.479 -7.150 1.00 0.00 C ATOM 205 C PRO A 14 -3.347 -13.365 -7.262 1.00 0.00 C ATOM 206 O PRO A 14 -3.037 -12.211 -7.030 1.00 0.00 O ATOM 207 CB PRO A 14 -0.841 -13.952 -7.535 1.00 0.00 C ATOM 208 CG PRO A 14 -0.257 -15.011 -8.431 1.00 0.00 C ATOM 209 CD PRO A 14 -1.437 -15.639 -9.130 1.00 0.00 C ATOM 0 HA PRO A 14 -2.359 -14.790 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.900 -12.992 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.225 -13.803 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.440 -14.578 -9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.298 -15.751 -7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.743 -15.064 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.213 -16.648 -9.476 1.00 0.00 H new ATOM 217 N GLY A 15 -4.608 -13.748 -7.575 1.00 0.00 N ATOM 218 CA GLY A 15 -5.740 -12.827 -7.679 1.00 0.00 C ATOM 219 C GLY A 15 -5.923 -11.888 -6.490 1.00 0.00 C ATOM 220 O GLY A 15 -5.867 -10.670 -6.668 1.00 0.00 O ATOM 0 H GLY A 15 -4.859 -14.719 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.618 -12.227 -8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.652 -13.410 -7.805 1.00 0.00 H new ATOM 224 N ARG A 16 -6.128 -12.450 -5.271 1.00 0.00 N ATOM 225 CA ARG A 16 -6.396 -11.662 -4.050 1.00 0.00 C ATOM 226 C ARG A 16 -5.212 -10.778 -3.655 1.00 0.00 C ATOM 227 O ARG A 16 -5.420 -9.639 -3.274 1.00 0.00 O ATOM 228 CB ARG A 16 -6.799 -12.604 -2.872 1.00 0.00 C ATOM 229 CG ARG A 16 -8.288 -13.055 -2.853 1.00 0.00 C ATOM 230 CD ARG A 16 -8.695 -13.909 -4.061 1.00 0.00 C ATOM 231 NE ARG A 16 -10.146 -14.170 -4.117 1.00 0.00 N ATOM 232 CZ ARG A 16 -10.717 -15.251 -4.659 1.00 0.00 C ATOM 233 NH1 ARG A 16 -9.975 -16.208 -5.200 1.00 0.00 N ATOM 234 NH2 ARG A 16 -12.035 -15.369 -4.660 1.00 0.00 N ATOM 0 H ARG A 16 -6.111 -13.457 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.229 -10.995 -4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.169 -13.493 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.579 -12.096 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.474 -13.622 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.925 -12.171 -2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.386 -13.405 -4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.161 -14.859 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.764 -13.469 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.959 -16.124 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.421 -17.028 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.613 -14.636 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.473 -16.193 -5.073 1.00 0.00 H new ATOM 248 N GLU A 17 -3.985 -11.322 -3.718 1.00 0.00 N ATOM 249 CA GLU A 17 -2.755 -10.564 -3.405 1.00 0.00 C ATOM 250 C GLU A 17 -2.499 -9.449 -4.417 1.00 0.00 C ATOM 251 O GLU A 17 -2.071 -8.374 -4.039 1.00 0.00 O ATOM 252 CB GLU A 17 -1.520 -11.479 -3.348 1.00 0.00 C ATOM 253 CG GLU A 17 -1.528 -12.507 -2.214 1.00 0.00 C ATOM 254 CD GLU A 17 -0.252 -13.353 -2.220 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.065 -13.950 -3.265 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.471 -13.384 -1.208 1.00 0.00 O ATOM 0 H GLU A 17 -3.815 -12.292 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.918 -10.121 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.434 -12.008 -4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.630 -10.857 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.622 -11.995 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.398 -13.156 -2.315 1.00 0.00 H new ATOM 263 N GLY A 18 -2.729 -9.755 -5.704 1.00 0.00 N ATOM 264 CA GLY A 18 -2.563 -8.800 -6.794 1.00 0.00 C ATOM 265 C GLY A 18 -3.605 -7.696 -6.766 1.00 0.00 C ATOM 266 O GLY A 18 -3.340 -6.587 -7.215 1.00 0.00 O ATOM 0 H GLY A 18 -3.036 -10.678 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.568 -8.358 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.623 -9.327 -7.746 1.00 0.00 H new ATOM 270 N HIS A 19 -4.802 -8.010 -6.233 1.00 0.00 N ATOM 271 CA HIS A 19 -5.898 -7.023 -6.102 1.00 0.00 C ATOM 272 C HIS A 19 -5.714 -6.203 -4.815 1.00 0.00 C ATOM 273 O HIS A 19 -6.113 -5.043 -4.744 1.00 0.00 O ATOM 274 CB HIS A 19 -7.281 -7.708 -6.120 1.00 0.00 C ATOM 275 CG HIS A 19 -8.428 -6.722 -6.214 1.00 0.00 C ATOM 276 ND1 HIS A 19 -8.937 -6.045 -5.125 1.00 0.00 N ATOM 277 CD2 HIS A 19 -9.137 -6.281 -7.277 1.00 0.00 C ATOM 278 CE1 HIS A 19 -9.894 -5.238 -5.510 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.039 -5.351 -6.812 1.00 0.00 N ATOM 0 H HIS A 19 -5.037 -8.940 -5.885 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.856 -6.352 -6.960 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.329 -8.395 -6.965 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.396 -8.306 -5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.018 -6.600 -8.302 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.468 -4.588 -4.866 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.709 -4.835 -7.383 1.00 0.00 H new ATOM 288 N LEU A 20 -5.142 -6.842 -3.792 1.00 0.00 N ATOM 289 CA LEU A 20 -4.724 -6.193 -2.535 1.00 0.00 C ATOM 290 C LEU A 20 -3.591 -5.199 -2.836 1.00 0.00 C ATOM 291 O LEU A 20 -3.601 -4.073 -2.354 1.00 0.00 O ATOM 292 CB LEU A 20 -4.315 -7.299 -1.510 1.00 0.00 C ATOM 293 CG LEU A 20 -4.203 -6.888 0.002 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.847 -6.221 0.337 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.395 -5.989 0.427 1.00 0.00 C ATOM 0 H LEU A 20 -4.950 -7.844 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.539 -5.623 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.040 -8.110 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.351 -7.704 -1.820 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.248 -7.809 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.823 -5.957 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.036 -6.915 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.726 -5.320 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.291 -5.720 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.403 -5.084 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.329 -6.531 0.282 1.00 0.00 H new ATOM 307 N GLU A 21 -2.669 -5.648 -3.695 1.00 0.00 N ATOM 308 CA GLU A 21 -1.565 -4.847 -4.246 1.00 0.00 C ATOM 309 C GLU A 21 -2.138 -3.693 -5.081 1.00 0.00 C ATOM 310 O GLU A 21 -1.711 -2.545 -4.950 1.00 0.00 O ATOM 311 CB GLU A 21 -0.658 -5.763 -5.117 1.00 0.00 C ATOM 312 CG GLU A 21 0.385 -5.036 -5.976 1.00 0.00 C ATOM 313 CD GLU A 21 1.163 -5.999 -6.874 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.625 -6.413 -7.928 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.311 -6.351 -6.540 1.00 0.00 O ATOM 0 H GLU A 21 -2.669 -6.609 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.967 -4.425 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.139 -6.461 -4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.294 -6.356 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.112 -4.287 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.081 -4.504 -5.327 1.00 0.00 H new ATOM 322 N GLN A 22 -3.157 -4.030 -5.893 1.00 0.00 N ATOM 323 CA GLN A 22 -3.858 -3.079 -6.769 1.00 0.00 C ATOM 324 C GLN A 22 -4.508 -1.977 -5.931 1.00 0.00 C ATOM 325 O GLN A 22 -4.411 -0.805 -6.278 1.00 0.00 O ATOM 326 CB GLN A 22 -4.917 -3.845 -7.627 1.00 0.00 C ATOM 327 CG GLN A 22 -5.787 -2.998 -8.594 1.00 0.00 C ATOM 328 CD GLN A 22 -7.024 -2.351 -7.947 1.00 0.00 C ATOM 329 OE1 GLN A 22 -7.596 -2.874 -6.987 1.00 0.00 O ATOM 330 NE2 GLN A 22 -7.425 -1.196 -8.454 1.00 0.00 N ATOM 0 H GLN A 22 -3.519 -4.981 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.146 -2.606 -7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.395 -4.600 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.584 -4.375 -6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.167 -2.212 -9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.115 -3.633 -9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.931 -0.789 -9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.228 -0.713 -8.050 1.00 0.00 H new ATOM 339 N ARG A 23 -5.157 -2.376 -4.820 1.00 0.00 N ATOM 340 CA ARG A 23 -5.882 -1.459 -3.945 1.00 0.00 C ATOM 341 C ARG A 23 -4.919 -0.518 -3.210 1.00 0.00 C ATOM 342 O ARG A 23 -5.187 0.678 -3.124 1.00 0.00 O ATOM 343 CB ARG A 23 -6.756 -2.248 -2.928 1.00 0.00 C ATOM 344 CG ARG A 23 -7.594 -1.344 -2.000 1.00 0.00 C ATOM 345 CD ARG A 23 -8.613 -0.477 -2.757 1.00 0.00 C ATOM 346 NE ARG A 23 -9.220 0.572 -1.915 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.820 1.676 -2.397 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.898 1.892 -3.705 1.00 0.00 N ATOM 349 NH2 ARG A 23 -10.312 2.568 -1.558 1.00 0.00 N ATOM 0 H ARG A 23 -5.188 -3.348 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.538 -0.851 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.425 -2.912 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.109 -2.879 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.122 -1.966 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.925 -0.696 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.121 -0.010 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.401 -1.117 -3.154 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.182 0.453 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.500 1.217 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.356 2.733 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.236 2.418 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.768 3.407 -1.916 1.00 0.00 H new ATOM 363 N ILE A 24 -3.796 -1.070 -2.699 1.00 0.00 N ATOM 364 CA ILE A 24 -2.748 -0.273 -2.032 1.00 0.00 C ATOM 365 C ILE A 24 -2.252 0.807 -3.003 1.00 0.00 C ATOM 366 O ILE A 24 -2.277 1.997 -2.672 1.00 0.00 O ATOM 367 CB ILE A 24 -1.531 -1.145 -1.540 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.960 -2.169 -0.436 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.374 -0.243 -1.019 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.852 -3.120 0.010 1.00 0.00 C ATOM 0 H ILE A 24 -3.594 -2.069 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.192 0.175 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.173 -1.711 -2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.320 -1.618 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.798 -2.757 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.454 -0.869 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.033 0.411 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.731 0.361 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.237 -3.794 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.506 -3.702 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.021 -2.545 0.418 1.00 0.00 H new ATOM 382 N LEU A 25 -1.905 0.381 -4.236 1.00 0.00 N ATOM 383 CA LEU A 25 -1.364 1.266 -5.278 1.00 0.00 C ATOM 384 C LEU A 25 -2.403 2.292 -5.729 1.00 0.00 C ATOM 385 O LEU A 25 -2.044 3.411 -6.082 1.00 0.00 O ATOM 386 CB LEU A 25 -0.882 0.443 -6.497 1.00 0.00 C ATOM 387 CG LEU A 25 0.337 -0.489 -6.255 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.670 -1.314 -7.521 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.563 0.318 -5.766 1.00 0.00 C ATOM 0 H LEU A 25 -1.994 -0.591 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.516 1.798 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.714 -0.166 -6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.630 1.135 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 25 0.070 -1.194 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.527 -1.957 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.189 -1.928 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.907 -0.639 -8.343 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.403 -0.358 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.834 1.059 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.318 0.822 -4.831 1.00 0.00 H new ATOM 401 N GLN A 26 -3.689 1.897 -5.707 1.00 0.00 N ATOM 402 CA GLN A 26 -4.796 2.763 -6.115 1.00 0.00 C ATOM 403 C GLN A 26 -4.974 3.898 -5.107 1.00 0.00 C ATOM 404 O GLN A 26 -5.123 5.045 -5.493 1.00 0.00 O ATOM 405 CB GLN A 26 -6.115 1.948 -6.237 1.00 0.00 C ATOM 406 CG GLN A 26 -7.298 2.720 -6.852 1.00 0.00 C ATOM 407 CD GLN A 26 -7.089 3.064 -8.328 1.00 0.00 C ATOM 408 OE1 GLN A 26 -7.495 2.323 -9.218 1.00 0.00 O ATOM 409 NE2 GLN A 26 -6.434 4.184 -8.602 1.00 0.00 N ATOM 0 H GLN A 26 -3.984 0.968 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.560 3.187 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.923 1.062 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.403 1.600 -5.245 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.205 2.125 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.455 3.640 -6.289 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.107 4.782 -7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.257 4.447 -9.571 1.00 0.00 H new ATOM 418 N VAL A 27 -4.941 3.552 -3.809 1.00 0.00 N ATOM 419 CA VAL A 27 -5.042 4.526 -2.707 1.00 0.00 C ATOM 420 C VAL A 27 -3.858 5.513 -2.755 1.00 0.00 C ATOM 421 O VAL A 27 -4.030 6.714 -2.510 1.00 0.00 O ATOM 422 CB VAL A 27 -5.104 3.792 -1.312 1.00 0.00 C ATOM 423 CG1 VAL A 27 -5.074 4.790 -0.128 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.357 2.884 -1.230 1.00 0.00 C ATOM 0 H VAL A 27 -4.843 2.587 -3.493 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.967 5.090 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.213 3.170 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.119 4.240 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.153 5.371 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.930 5.462 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.383 2.386 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.255 3.491 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.316 2.136 -2.021 1.00 0.00 H new ATOM 434 N LEU A 28 -2.678 4.987 -3.132 1.00 0.00 N ATOM 435 CA LEU A 28 -1.451 5.787 -3.294 1.00 0.00 C ATOM 436 C LEU A 28 -1.602 6.780 -4.468 1.00 0.00 C ATOM 437 O LEU A 28 -1.174 7.941 -4.378 1.00 0.00 O ATOM 438 CB LEU A 28 -0.230 4.857 -3.528 1.00 0.00 C ATOM 439 CG LEU A 28 0.172 3.920 -2.344 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.297 2.962 -2.765 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.568 4.717 -1.084 1.00 0.00 C ATOM 0 H LEU A 28 -2.549 3.995 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.287 6.357 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.437 4.236 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.630 5.479 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.706 3.328 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.561 2.319 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.959 2.348 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.171 3.538 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.840 4.025 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.418 5.360 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.274 5.330 -0.762 1.00 0.00 H new ATOM 453 N THR A 29 -2.236 6.306 -5.556 1.00 0.00 N ATOM 454 CA THR A 29 -2.446 7.071 -6.790 1.00 0.00 C ATOM 455 C THR A 29 -3.504 8.181 -6.609 1.00 0.00 C ATOM 456 O THR A 29 -3.252 9.330 -6.981 1.00 0.00 O ATOM 457 CB THR A 29 -2.863 6.095 -7.939 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.785 5.190 -8.196 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.233 6.810 -9.245 1.00 0.00 C ATOM 0 H THR A 29 -2.622 5.363 -5.599 1.00 0.00 H new ATOM 0 HA THR A 29 -1.510 7.565 -7.049 1.00 0.00 H new ATOM 0 HB THR A 29 -3.756 5.570 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.766 4.498 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.512 6.072 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.073 7.482 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.378 7.385 -9.600 1.00 0.00 H new ATOM 467 N GLU A 30 -4.681 7.851 -6.026 1.00 0.00 N ATOM 468 CA GLU A 30 -5.804 8.808 -5.895 1.00 0.00 C ATOM 469 C GLU A 30 -5.466 9.922 -4.906 1.00 0.00 C ATOM 470 O GLU A 30 -5.898 11.068 -5.077 1.00 0.00 O ATOM 471 CB GLU A 30 -7.113 8.078 -5.471 1.00 0.00 C ATOM 472 CG GLU A 30 -7.521 6.889 -6.369 1.00 0.00 C ATOM 473 CD GLU A 30 -7.592 7.231 -7.864 1.00 0.00 C ATOM 474 OE1 GLU A 30 -6.567 7.115 -8.568 1.00 0.00 O ATOM 475 OE2 GLU A 30 -8.676 7.613 -8.355 1.00 0.00 O ATOM 0 H GLU A 30 -4.877 6.928 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.968 9.261 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.995 7.718 -4.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.928 8.802 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.808 6.077 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.494 6.519 -6.045 1.00 0.00 H new ATOM 482 N ALA A 31 -4.708 9.557 -3.861 1.00 0.00 N ATOM 483 CA ALA A 31 -4.125 10.526 -2.929 1.00 0.00 C ATOM 484 C ALA A 31 -3.081 11.392 -3.644 1.00 0.00 C ATOM 485 O ALA A 31 -2.991 12.590 -3.394 1.00 0.00 O ATOM 486 CB ALA A 31 -3.481 9.806 -1.737 1.00 0.00 C ATOM 0 H ALA A 31 -4.484 8.586 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.924 11.169 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.053 10.541 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.237 9.222 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.694 9.142 -2.095 1.00 0.00 H new ATOM 492 N GLY A 32 -2.291 10.745 -4.536 1.00 0.00 N ATOM 493 CA GLY A 32 -1.160 11.392 -5.223 1.00 0.00 C ATOM 494 C GLY A 32 -0.106 11.907 -4.246 1.00 0.00 C ATOM 495 O GLY A 32 0.670 12.818 -4.554 1.00 0.00 O ATOM 0 H GLY A 32 -2.423 9.767 -4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.700 10.681 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.530 12.222 -5.825 1.00 0.00 H new ATOM 499 N SER A 33 -0.102 11.304 -3.051 1.00 0.00 N ATOM 500 CA SER A 33 0.657 11.769 -1.888 1.00 0.00 C ATOM 501 C SER A 33 0.955 10.557 -0.988 1.00 0.00 C ATOM 502 O SER A 33 0.178 9.591 -1.004 1.00 0.00 O ATOM 503 CB SER A 33 -0.164 12.826 -1.102 1.00 0.00 C ATOM 504 OG SER A 33 -0.497 13.945 -1.914 1.00 0.00 O ATOM 0 H SER A 33 -0.641 10.458 -2.863 1.00 0.00 H new ATOM 0 HA SER A 33 1.589 12.232 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.077 12.368 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.408 13.162 -0.237 1.00 0.00 H new ATOM 0 HG SER A 33 -1.262 13.720 -2.483 1.00 0.00 H new ATOM 510 N PRO A 34 2.100 10.565 -0.226 1.00 0.00 N ATOM 511 CA PRO A 34 2.454 9.498 0.745 1.00 0.00 C ATOM 512 C PRO A 34 1.287 9.132 1.695 1.00 0.00 C ATOM 513 O PRO A 34 0.874 9.943 2.523 1.00 0.00 O ATOM 514 CB PRO A 34 3.662 10.100 1.531 1.00 0.00 C ATOM 515 CG PRO A 34 3.759 11.535 1.093 1.00 0.00 C ATOM 516 CD PRO A 34 3.172 11.586 -0.285 1.00 0.00 C ATOM 0 HA PRO A 34 2.690 8.559 0.244 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.503 10.029 2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.582 9.560 1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.214 12.189 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.795 11.873 1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.776 12.574 -0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.913 11.350 -1.049 1.00 0.00 H new ATOM 524 N VAL A 35 0.769 7.904 1.543 1.00 0.00 N ATOM 525 CA VAL A 35 -0.347 7.386 2.356 1.00 0.00 C ATOM 526 C VAL A 35 0.238 6.550 3.500 1.00 0.00 C ATOM 527 O VAL A 35 1.159 5.761 3.273 1.00 0.00 O ATOM 528 CB VAL A 35 -1.328 6.503 1.494 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.485 5.935 2.341 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.873 7.295 0.283 1.00 0.00 C ATOM 0 H VAL A 35 1.112 7.238 0.851 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.921 8.226 2.748 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.751 5.658 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.137 5.333 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.080 5.314 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.056 6.756 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.547 6.661 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.414 8.173 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.043 7.611 -0.349 1.00 0.00 H new ATOM 540 N LYS A 36 -0.301 6.724 4.713 1.00 0.00 N ATOM 541 CA LYS A 36 0.158 5.987 5.905 1.00 0.00 C ATOM 542 C LYS A 36 -0.408 4.562 5.874 1.00 0.00 C ATOM 543 O LYS A 36 -1.428 4.321 5.236 1.00 0.00 O ATOM 544 CB LYS A 36 -0.289 6.737 7.182 1.00 0.00 C ATOM 545 CG LYS A 36 0.216 8.200 7.248 1.00 0.00 C ATOM 546 CD LYS A 36 -0.335 8.978 8.461 1.00 0.00 C ATOM 547 CE LYS A 36 0.130 8.398 9.808 1.00 0.00 C ATOM 548 NZ LYS A 36 -0.510 9.076 10.955 1.00 0.00 N ATOM 0 H LYS A 36 -1.064 7.375 4.899 1.00 0.00 H new ATOM 0 HA LYS A 36 1.246 5.925 5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.378 6.734 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.073 6.196 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.305 8.200 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.069 8.718 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.020 10.019 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.424 8.972 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.100 7.333 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.213 8.493 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.169 8.654 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.270 10.088 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.542 8.964 10.893 1.00 0.00 H new ATOM 562 N LEU A 37 0.274 3.635 6.565 1.00 0.00 N ATOM 563 CA LEU A 37 -0.115 2.219 6.649 1.00 0.00 C ATOM 564 C LEU A 37 -1.460 2.111 7.367 1.00 0.00 C ATOM 565 O LEU A 37 -2.347 1.384 6.923 1.00 0.00 O ATOM 566 CB LEU A 37 1.001 1.398 7.358 1.00 0.00 C ATOM 567 CG LEU A 37 0.690 -0.106 7.657 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.191 -0.876 6.405 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.920 -0.803 8.282 1.00 0.00 C ATOM 0 H LEU A 37 1.123 3.851 7.088 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.232 1.799 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.899 1.443 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.237 1.890 8.302 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.128 -0.123 8.378 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.009 -1.914 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.724 -0.414 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.955 -0.842 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.683 -1.848 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.760 -0.748 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.185 -0.306 9.215 1.00 0.00 H new ATOM 581 N ALA A 38 -1.579 2.832 8.490 1.00 0.00 N ATOM 582 CA ALA A 38 -2.851 3.061 9.189 1.00 0.00 C ATOM 583 C ALA A 38 -3.976 3.515 8.234 1.00 0.00 C ATOM 584 O ALA A 38 -5.093 3.005 8.320 1.00 0.00 O ATOM 585 CB ALA A 38 -2.648 4.082 10.317 1.00 0.00 C ATOM 0 H ALA A 38 -0.783 3.279 8.945 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.170 2.110 9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.594 4.248 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.912 3.701 11.025 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.294 5.023 9.896 1.00 0.00 H new ATOM 591 N GLN A 39 -3.682 4.458 7.312 1.00 0.00 N ATOM 592 CA GLN A 39 -4.689 4.939 6.341 1.00 0.00 C ATOM 593 C GLN A 39 -4.962 3.862 5.274 1.00 0.00 C ATOM 594 O GLN A 39 -6.083 3.734 4.797 1.00 0.00 O ATOM 595 CB GLN A 39 -4.234 6.266 5.678 1.00 0.00 C ATOM 596 CG GLN A 39 -5.297 6.906 4.752 1.00 0.00 C ATOM 597 CD GLN A 39 -4.823 8.177 4.038 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.000 8.929 4.556 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.338 8.419 2.838 1.00 0.00 N ATOM 0 H GLN A 39 -2.766 4.897 7.220 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.616 5.136 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.972 6.979 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.329 6.079 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.600 6.173 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.182 7.143 5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.019 7.775 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.052 9.249 2.318 1.00 0.00 H new ATOM 608 N LEU A 40 -3.933 3.065 4.936 1.00 0.00 N ATOM 609 CA LEU A 40 -4.066 1.948 3.982 1.00 0.00 C ATOM 610 C LEU A 40 -5.060 0.906 4.520 1.00 0.00 C ATOM 611 O LEU A 40 -5.788 0.314 3.745 1.00 0.00 O ATOM 612 CB LEU A 40 -2.683 1.288 3.676 1.00 0.00 C ATOM 613 CG LEU A 40 -1.690 2.135 2.808 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.287 1.476 2.741 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.261 2.378 1.382 1.00 0.00 C ATOM 0 H LEU A 40 -2.992 3.175 5.313 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.451 2.349 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.197 1.055 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.860 0.340 3.167 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.575 3.104 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.375 2.091 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.123 1.390 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.372 0.484 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.552 2.968 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.426 1.420 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.206 2.916 1.455 1.00 0.00 H new ATOM 627 N VAL A 41 -5.070 0.699 5.859 1.00 0.00 N ATOM 628 CA VAL A 41 -6.008 -0.226 6.532 1.00 0.00 C ATOM 629 C VAL A 41 -7.470 0.123 6.215 1.00 0.00 C ATOM 630 O VAL A 41 -8.228 -0.725 5.726 1.00 0.00 O ATOM 631 CB VAL A 41 -5.796 -0.232 8.095 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.751 -1.220 8.798 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.330 -0.539 8.464 1.00 0.00 C ATOM 0 H VAL A 41 -4.429 1.168 6.499 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.793 -1.222 6.145 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.033 0.771 8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.574 -1.195 9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.783 -0.936 8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.571 -2.228 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.219 -0.535 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.054 -1.519 8.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.679 0.220 8.030 1.00 0.00 H new ATOM 643 N LYS A 42 -7.843 1.383 6.478 1.00 0.00 N ATOM 644 CA LYS A 42 -9.234 1.847 6.328 1.00 0.00 C ATOM 645 C LYS A 42 -9.634 1.965 4.844 1.00 0.00 C ATOM 646 O LYS A 42 -10.706 1.510 4.464 1.00 0.00 O ATOM 647 CB LYS A 42 -9.468 3.177 7.097 1.00 0.00 C ATOM 648 CG LYS A 42 -8.538 4.345 6.700 1.00 0.00 C ATOM 649 CD LYS A 42 -8.880 5.668 7.423 1.00 0.00 C ATOM 650 CE LYS A 42 -10.291 6.192 7.083 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.618 7.441 7.815 1.00 0.00 N ATOM 0 H LYS A 42 -7.198 2.105 6.798 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.884 1.094 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.501 3.489 6.943 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.348 2.986 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.507 4.072 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.600 4.500 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.804 5.518 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.143 6.424 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.361 6.373 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.029 5.427 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.575 7.755 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.578 7.264 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.931 8.180 7.565 1.00 0.00 H new ATOM 665 N GLU A 43 -8.768 2.567 4.008 1.00 0.00 N ATOM 666 CA GLU A 43 -9.054 2.761 2.573 1.00 0.00 C ATOM 667 C GLU A 43 -9.174 1.433 1.815 1.00 0.00 C ATOM 668 O GLU A 43 -10.026 1.292 0.938 1.00 0.00 O ATOM 669 CB GLU A 43 -7.964 3.648 1.926 1.00 0.00 C ATOM 670 CG GLU A 43 -7.794 5.044 2.555 1.00 0.00 C ATOM 671 CD GLU A 43 -9.060 5.901 2.524 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.292 6.600 1.517 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.835 5.881 3.502 1.00 0.00 O ATOM 0 H GLU A 43 -7.861 2.929 4.302 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.020 3.260 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.010 3.123 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.198 3.770 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.472 4.928 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.998 5.572 2.031 1.00 0.00 H new ATOM 680 N CYS A 44 -8.312 0.463 2.147 1.00 0.00 N ATOM 681 CA CYS A 44 -8.333 -0.862 1.507 1.00 0.00 C ATOM 682 C CYS A 44 -9.392 -1.775 2.142 1.00 0.00 C ATOM 683 O CYS A 44 -9.785 -2.769 1.519 1.00 0.00 O ATOM 684 CB CYS A 44 -6.935 -1.519 1.575 1.00 0.00 C ATOM 685 SG CYS A 44 -5.624 -0.543 0.796 1.00 0.00 S ATOM 0 H CYS A 44 -7.588 0.570 2.858 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.602 -0.722 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.675 -1.689 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.980 -2.496 1.095 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.071 0.229 1.684 1.00 0.00 H new ATOM 691 N GLN A 45 -9.850 -1.423 3.377 1.00 0.00 N ATOM 692 CA GLN A 45 -10.758 -2.268 4.194 1.00 0.00 C ATOM 693 C GLN A 45 -10.099 -3.633 4.468 1.00 0.00 C ATOM 694 O GLN A 45 -10.770 -4.663 4.624 1.00 0.00 O ATOM 695 CB GLN A 45 -12.158 -2.421 3.505 1.00 0.00 C ATOM 696 CG GLN A 45 -13.003 -1.128 3.469 1.00 0.00 C ATOM 697 CD GLN A 45 -13.576 -0.749 4.840 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.692 -1.133 5.188 1.00 0.00 O ATOM 699 NE2 GLN A 45 -12.813 -0.032 5.646 1.00 0.00 N ATOM 0 H GLN A 45 -9.598 -0.545 3.830 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.931 -1.778 5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.009 -2.770 2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.722 -3.194 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.387 -0.308 3.099 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.822 -1.255 2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.891 0.275 5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.146 0.214 6.578 1.00 0.00 H new ATOM 708 N ALA A 46 -8.759 -3.603 4.560 1.00 0.00 N ATOM 709 CA ALA A 46 -7.921 -4.805 4.584 1.00 0.00 C ATOM 710 C ALA A 46 -7.090 -4.847 5.873 1.00 0.00 C ATOM 711 O ALA A 46 -6.710 -3.785 6.391 1.00 0.00 O ATOM 712 CB ALA A 46 -7.015 -4.819 3.350 1.00 0.00 C ATOM 0 H ALA A 46 -8.226 -2.735 4.620 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.556 -5.691 4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.391 -5.713 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.628 -4.821 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.380 -3.933 3.355 1.00 0.00 H new ATOM 718 N PRO A 47 -6.809 -6.074 6.427 1.00 0.00 N ATOM 719 CA PRO A 47 -6.006 -6.232 7.660 1.00 0.00 C ATOM 720 C PRO A 47 -4.559 -5.744 7.483 1.00 0.00 C ATOM 721 O PRO A 47 -3.894 -6.131 6.516 1.00 0.00 O ATOM 722 CB PRO A 47 -6.056 -7.764 7.930 1.00 0.00 C ATOM 723 CG PRO A 47 -7.230 -8.255 7.144 1.00 0.00 C ATOM 724 CD PRO A 47 -7.262 -7.396 5.913 1.00 0.00 C ATOM 0 HA PRO A 47 -6.396 -5.636 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.135 -8.252 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.176 -7.974 8.993 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.120 -9.309 6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.154 -8.161 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.600 -7.777 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.262 -7.342 5.482 1.00 0.00 H new ATOM 732 N LYS A 48 -4.109 -4.890 8.421 1.00 0.00 N ATOM 733 CA LYS A 48 -2.731 -4.349 8.455 1.00 0.00 C ATOM 734 C LYS A 48 -1.651 -5.449 8.374 1.00 0.00 C ATOM 735 O LYS A 48 -0.558 -5.195 7.887 1.00 0.00 O ATOM 736 CB LYS A 48 -2.541 -3.477 9.724 1.00 0.00 C ATOM 737 CG LYS A 48 -1.275 -2.591 9.700 1.00 0.00 C ATOM 738 CD LYS A 48 -1.165 -1.616 10.904 1.00 0.00 C ATOM 739 CE LYS A 48 -0.670 -2.273 12.211 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.594 -3.301 12.748 1.00 0.00 N ATOM 0 H LYS A 48 -4.694 -4.551 9.185 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.601 -3.732 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.416 -2.838 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.498 -4.129 10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.394 -3.233 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.265 -2.014 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.486 -0.805 10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.142 -1.168 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.303 -2.730 12.032 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.525 -1.499 12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.538 -3.310 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.567 -3.079 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.326 -4.236 12.379 1.00 0.00 H new ATOM 754 N ARG A 49 -1.986 -6.656 8.870 1.00 0.00 N ATOM 755 CA ARG A 49 -1.132 -7.859 8.741 1.00 0.00 C ATOM 756 C ARG A 49 -0.773 -8.106 7.265 1.00 0.00 C ATOM 757 O ARG A 49 0.402 -8.157 6.886 1.00 0.00 O ATOM 758 CB ARG A 49 -1.865 -9.120 9.272 1.00 0.00 C ATOM 759 CG ARG A 49 -2.523 -8.995 10.652 1.00 0.00 C ATOM 760 CD ARG A 49 -3.258 -10.294 11.042 1.00 0.00 C ATOM 761 NE ARG A 49 -4.207 -10.741 9.990 1.00 0.00 N ATOM 762 CZ ARG A 49 -5.439 -11.227 10.200 1.00 0.00 C ATOM 763 NH1 ARG A 49 -5.934 -11.326 11.428 1.00 0.00 N ATOM 764 NH2 ARG A 49 -6.164 -11.599 9.161 1.00 0.00 N ATOM 0 H ARG A 49 -2.857 -6.827 9.372 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.230 -7.681 9.327 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.634 -9.398 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.150 -9.942 9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.764 -8.766 11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.228 -8.163 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.527 -11.081 11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.800 -10.136 11.974 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.894 -10.672 9.022 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.375 -11.030 12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.873 -11.698 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.785 -11.514 8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.103 -11.971 9.301 1.00 0.00 H new ATOM 778 N GLU A 50 -1.833 -8.242 6.446 1.00 0.00 N ATOM 779 CA GLU A 50 -1.738 -8.572 5.022 1.00 0.00 C ATOM 780 C GLU A 50 -1.085 -7.444 4.252 1.00 0.00 C ATOM 781 O GLU A 50 -0.221 -7.697 3.428 1.00 0.00 O ATOM 782 CB GLU A 50 -3.149 -8.895 4.451 1.00 0.00 C ATOM 783 CG GLU A 50 -3.614 -10.344 4.695 1.00 0.00 C ATOM 784 CD GLU A 50 -3.653 -10.779 6.185 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.668 -10.547 6.858 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.663 -11.349 6.690 1.00 0.00 O ATOM 0 H GLU A 50 -2.794 -8.122 6.767 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.111 -9.457 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.873 -8.213 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.147 -8.702 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.610 -10.466 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.951 -11.018 4.153 1.00 0.00 H new ATOM 793 N LEU A 51 -1.507 -6.200 4.549 1.00 0.00 N ATOM 794 CA LEU A 51 -0.957 -4.990 3.924 1.00 0.00 C ATOM 795 C LEU A 51 0.558 -4.934 4.114 1.00 0.00 C ATOM 796 O LEU A 51 1.285 -4.871 3.136 1.00 0.00 O ATOM 797 CB LEU A 51 -1.604 -3.718 4.526 1.00 0.00 C ATOM 798 CG LEU A 51 -3.139 -3.583 4.327 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.671 -2.371 5.095 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.518 -3.499 2.826 1.00 0.00 C ATOM 0 H LEU A 51 -2.241 -6.009 5.231 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.183 -5.029 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.392 -3.696 5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.121 -2.845 4.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.608 -4.482 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.748 -2.290 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.460 -2.492 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.185 -1.467 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.600 -3.405 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.037 -2.630 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.185 -4.402 2.315 1.00 0.00 H new ATOM 812 N ASN A 52 0.994 -4.989 5.396 1.00 0.00 N ATOM 813 CA ASN A 52 2.418 -4.982 5.806 1.00 0.00 C ATOM 814 C ASN A 52 3.239 -6.005 5.000 1.00 0.00 C ATOM 815 O ASN A 52 4.258 -5.652 4.402 1.00 0.00 O ATOM 816 CB ASN A 52 2.538 -5.273 7.332 1.00 0.00 C ATOM 817 CG ASN A 52 3.977 -5.231 7.850 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.679 -6.247 7.863 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.425 -4.059 8.281 1.00 0.00 N ATOM 0 H ASN A 52 0.353 -5.040 6.188 1.00 0.00 H new ATOM 0 HA ASN A 52 2.824 -3.992 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.941 -4.544 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.113 -6.255 7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.377 -3.977 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.817 -3.240 8.256 1.00 0.00 H new ATOM 826 N GLN A 53 2.770 -7.269 4.990 1.00 0.00 N ATOM 827 CA GLN A 53 3.383 -8.373 4.226 1.00 0.00 C ATOM 828 C GLN A 53 3.591 -8.021 2.737 1.00 0.00 C ATOM 829 O GLN A 53 4.727 -8.062 2.224 1.00 0.00 O ATOM 830 CB GLN A 53 2.478 -9.625 4.352 1.00 0.00 C ATOM 831 CG GLN A 53 2.998 -10.865 3.609 1.00 0.00 C ATOM 832 CD GLN A 53 1.962 -11.980 3.559 1.00 0.00 C ATOM 833 OE1 GLN A 53 1.156 -12.047 2.633 1.00 0.00 O ATOM 834 NE2 GLN A 53 1.967 -12.856 4.553 1.00 0.00 N ATOM 0 H GLN A 53 1.946 -7.555 5.518 1.00 0.00 H new ATOM 0 HA GLN A 53 4.371 -8.565 4.644 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.365 -9.871 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.486 -9.380 3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.280 -10.587 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.899 -11.230 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.650 -12.770 5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.287 -13.616 4.566 1.00 0.00 H new ATOM 843 N VAL A 54 2.486 -7.654 2.071 1.00 0.00 N ATOM 844 CA VAL A 54 2.462 -7.410 0.627 1.00 0.00 C ATOM 845 C VAL A 54 3.306 -6.168 0.261 1.00 0.00 C ATOM 846 O VAL A 54 3.965 -6.176 -0.765 1.00 0.00 O ATOM 847 CB VAL A 54 0.976 -7.275 0.097 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.911 -7.020 -1.432 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.136 -8.534 0.462 1.00 0.00 C ATOM 0 H VAL A 54 1.582 -7.518 2.524 1.00 0.00 H new ATOM 0 HA VAL A 54 2.911 -8.272 0.133 1.00 0.00 H new ATOM 0 HB VAL A 54 0.550 -6.404 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.130 -6.935 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.437 -6.095 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.381 -7.850 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.880 -8.415 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.589 -9.417 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.111 -8.653 1.545 1.00 0.00 H new ATOM 859 N LEU A 55 3.300 -5.138 1.140 1.00 0.00 N ATOM 860 CA LEU A 55 4.047 -3.870 0.953 1.00 0.00 C ATOM 861 C LEU A 55 5.534 -4.083 0.643 1.00 0.00 C ATOM 862 O LEU A 55 6.046 -3.497 -0.307 1.00 0.00 O ATOM 863 CB LEU A 55 3.890 -2.945 2.201 1.00 0.00 C ATOM 864 CG LEU A 55 2.548 -2.159 2.295 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.392 -1.496 3.674 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.432 -1.112 1.162 1.00 0.00 C ATOM 0 H LEU A 55 2.769 -5.164 2.011 1.00 0.00 H new ATOM 0 HA LEU A 55 3.607 -3.386 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.996 -3.555 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.711 -2.228 2.204 1.00 0.00 H new ATOM 0 HG LEU A 55 1.735 -2.875 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.447 -0.954 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.403 -2.262 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.216 -0.801 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.485 -0.580 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.256 -0.402 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.473 -1.615 0.196 1.00 0.00 H new ATOM 878 N TYR A 56 6.233 -4.924 1.425 1.00 0.00 N ATOM 879 CA TYR A 56 7.690 -5.105 1.260 1.00 0.00 C ATOM 880 C TYR A 56 7.997 -5.931 0.005 1.00 0.00 C ATOM 881 O TYR A 56 9.083 -5.804 -0.577 1.00 0.00 O ATOM 882 CB TYR A 56 8.303 -5.764 2.519 1.00 0.00 C ATOM 883 CG TYR A 56 8.303 -4.853 3.765 1.00 0.00 C ATOM 884 CD1 TYR A 56 7.121 -4.587 4.451 1.00 0.00 C ATOM 885 CD2 TYR A 56 9.477 -4.272 4.256 1.00 0.00 C ATOM 886 CE1 TYR A 56 7.100 -3.793 5.573 1.00 0.00 C ATOM 887 CE2 TYR A 56 9.462 -3.480 5.384 1.00 0.00 C ATOM 888 CZ TYR A 56 8.269 -3.246 6.039 1.00 0.00 C ATOM 889 OH TYR A 56 8.253 -2.460 7.168 1.00 0.00 O ATOM 0 H TYR A 56 5.820 -5.485 2.170 1.00 0.00 H new ATOM 0 HA TYR A 56 8.145 -4.122 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.749 -6.675 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.328 -6.062 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.197 -5.016 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.411 -4.447 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.169 -3.601 6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.379 -3.045 5.754 1.00 0.00 H new ATOM 0 HH TYR A 56 9.162 -2.152 7.365 1.00 0.00 H new ATOM 899 N ARG A 57 7.027 -6.762 -0.413 1.00 0.00 N ATOM 900 CA ARG A 57 7.082 -7.502 -1.678 1.00 0.00 C ATOM 901 C ARG A 57 6.988 -6.513 -2.854 1.00 0.00 C ATOM 902 O ARG A 57 7.846 -6.495 -3.739 1.00 0.00 O ATOM 903 CB ARG A 57 5.925 -8.537 -1.707 1.00 0.00 C ATOM 904 CG ARG A 57 5.767 -9.338 -3.017 1.00 0.00 C ATOM 905 CD ARG A 57 4.604 -10.345 -2.947 1.00 0.00 C ATOM 906 NE ARG A 57 4.396 -11.074 -4.212 1.00 0.00 N ATOM 907 CZ ARG A 57 3.425 -11.984 -4.431 1.00 0.00 C ATOM 908 NH1 ARG A 57 2.560 -12.301 -3.474 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.336 -12.569 -5.621 1.00 0.00 N ATOM 0 H ARG A 57 6.178 -6.938 0.124 1.00 0.00 H new ATOM 0 HA ARG A 57 8.026 -8.040 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.074 -9.242 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.990 -8.013 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.599 -8.649 -3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.694 -9.871 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.799 -11.061 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.688 -9.816 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 57 5.036 -10.875 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.625 -11.854 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.831 -12.991 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.998 -12.328 -6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.605 -13.259 -5.797 1.00 0.00 H new ATOM 923 N MET A 58 5.949 -5.661 -2.805 1.00 0.00 N ATOM 924 CA MET A 58 5.711 -4.577 -3.777 1.00 0.00 C ATOM 925 C MET A 58 6.885 -3.582 -3.806 1.00 0.00 C ATOM 926 O MET A 58 7.111 -2.934 -4.819 1.00 0.00 O ATOM 927 CB MET A 58 4.394 -3.838 -3.418 1.00 0.00 C ATOM 928 CG MET A 58 3.139 -4.720 -3.438 1.00 0.00 C ATOM 929 SD MET A 58 1.757 -3.981 -2.533 1.00 0.00 S ATOM 930 CE MET A 58 1.467 -2.491 -3.459 1.00 0.00 C ATOM 0 H MET A 58 5.237 -5.707 -2.076 1.00 0.00 H new ATOM 0 HA MET A 58 5.625 -5.019 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.498 -3.400 -2.425 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.254 -3.014 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.839 -4.896 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.375 -5.692 -3.004 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.668 -1.625 -2.828 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.126 -2.468 -4.327 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.429 -2.465 -3.791 1.00 0.00 H new ATOM 940 N LYS A 59 7.619 -3.471 -2.684 1.00 0.00 N ATOM 941 CA LYS A 59 8.788 -2.582 -2.581 1.00 0.00 C ATOM 942 C LYS A 59 9.950 -3.137 -3.416 1.00 0.00 C ATOM 943 O LYS A 59 10.692 -2.374 -4.042 1.00 0.00 O ATOM 944 CB LYS A 59 9.210 -2.389 -1.098 1.00 0.00 C ATOM 945 CG LYS A 59 10.266 -1.280 -0.881 1.00 0.00 C ATOM 946 CD LYS A 59 10.807 -1.232 0.565 1.00 0.00 C ATOM 947 CE LYS A 59 11.873 -0.133 0.755 1.00 0.00 C ATOM 948 NZ LYS A 59 12.561 -0.227 2.069 1.00 0.00 N ATOM 0 H LYS A 59 7.420 -3.991 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 59 8.515 -1.604 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.325 -2.153 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.605 -3.331 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.097 -1.439 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.826 -0.314 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.981 -1.057 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.237 -2.200 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.611 -0.206 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.401 0.845 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.267 0.533 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.863 -0.131 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.035 -1.149 2.147 1.00 0.00 H new ATOM 962 N LYS A 60 10.095 -4.480 -3.428 1.00 0.00 N ATOM 963 CA LYS A 60 11.066 -5.177 -4.291 1.00 0.00 C ATOM 964 C LYS A 60 10.643 -5.075 -5.765 1.00 0.00 C ATOM 965 O LYS A 60 11.485 -5.064 -6.662 1.00 0.00 O ATOM 966 CB LYS A 60 11.178 -6.669 -3.872 1.00 0.00 C ATOM 967 CG LYS A 60 11.647 -6.917 -2.424 1.00 0.00 C ATOM 968 CD LYS A 60 13.075 -6.396 -2.159 1.00 0.00 C ATOM 969 CE LYS A 60 13.572 -6.743 -0.745 1.00 0.00 C ATOM 970 NZ LYS A 60 14.911 -6.169 -0.481 1.00 0.00 N ATOM 0 H LYS A 60 9.544 -5.106 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 60 12.040 -4.701 -4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.204 -7.140 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.870 -7.168 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.955 -6.433 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.610 -7.986 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.757 -6.821 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.095 -5.314 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.863 -6.368 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.610 -7.826 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.214 -6.423 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.593 -6.547 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.868 -5.134 -0.568 1.00 0.00 H new ATOM 984 N GLU A 61 9.316 -5.007 -5.996 1.00 0.00 N ATOM 985 CA GLU A 61 8.736 -4.787 -7.340 1.00 0.00 C ATOM 986 C GLU A 61 8.834 -3.309 -7.755 1.00 0.00 C ATOM 987 O GLU A 61 8.461 -2.965 -8.875 1.00 0.00 O ATOM 988 CB GLU A 61 7.251 -5.245 -7.366 1.00 0.00 C ATOM 989 CG GLU A 61 7.010 -6.691 -6.898 1.00 0.00 C ATOM 990 CD GLU A 61 7.780 -7.733 -7.723 1.00 0.00 C ATOM 991 OE1 GLU A 61 7.269 -8.182 -8.767 1.00 0.00 O ATOM 992 OE2 GLU A 61 8.898 -8.125 -7.329 1.00 0.00 O ATOM 0 H GLU A 61 8.617 -5.103 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 61 9.309 -5.380 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.668 -4.573 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.871 -5.140 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.300 -6.780 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.944 -6.910 -6.953 1.00 0.00 H new ATOM 999 N LEU A 62 9.305 -2.448 -6.814 1.00 0.00 N ATOM 1000 CA LEU A 62 9.518 -0.997 -7.024 1.00 0.00 C ATOM 1001 C LEU A 62 8.172 -0.259 -7.204 1.00 0.00 C ATOM 1002 O LEU A 62 8.135 0.873 -7.669 1.00 0.00 O ATOM 1003 CB LEU A 62 10.506 -0.743 -8.214 1.00 0.00 C ATOM 1004 CG LEU A 62 11.895 -1.474 -8.114 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.739 -1.296 -9.399 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.679 -1.016 -6.862 1.00 0.00 C ATOM 0 H LEU A 62 9.551 -2.752 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 62 9.986 -0.583 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.019 -1.052 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.685 0.329 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 62 11.689 -2.539 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.690 -1.817 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.198 -1.710 -10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.925 -0.235 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.635 -1.538 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.855 0.058 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.101 -1.245 -5.967 1.00 0.00 H new ATOM 1018 N LYS A 63 7.079 -0.929 -6.785 1.00 0.00 N ATOM 1019 CA LYS A 63 5.700 -0.413 -6.844 1.00 0.00 C ATOM 1020 C LYS A 63 5.388 0.516 -5.663 1.00 0.00 C ATOM 1021 O LYS A 63 4.560 1.422 -5.790 1.00 0.00 O ATOM 1022 CB LYS A 63 4.694 -1.588 -6.893 1.00 0.00 C ATOM 1023 CG LYS A 63 4.804 -2.453 -8.167 1.00 0.00 C ATOM 1024 CD LYS A 63 3.811 -3.631 -8.166 1.00 0.00 C ATOM 1025 CE LYS A 63 3.938 -4.510 -9.424 1.00 0.00 C ATOM 1026 NZ LYS A 63 2.966 -5.629 -9.407 1.00 0.00 N ATOM 0 H LYS A 63 7.134 -1.866 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 63 5.603 0.177 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.849 -2.223 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.682 -1.190 -6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.623 -1.830 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.820 -2.838 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.980 -4.243 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.794 -3.245 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.776 -3.900 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.951 -4.908 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.033 -6.160 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.179 -6.262 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.003 -5.251 -9.301 1.00 0.00 H new ATOM 1040 N VAL A 64 6.051 0.301 -4.513 1.00 0.00 N ATOM 1041 CA VAL A 64 5.933 1.185 -3.331 1.00 0.00 C ATOM 1042 C VAL A 64 7.328 1.545 -2.816 1.00 0.00 C ATOM 1043 O VAL A 64 8.314 0.846 -3.105 1.00 0.00 O ATOM 1044 CB VAL A 64 5.085 0.550 -2.160 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.625 0.295 -2.585 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.733 -0.743 -1.637 1.00 0.00 C ATOM 0 H VAL A 64 6.683 -0.487 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 64 5.401 2.078 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 64 5.071 1.275 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.075 -0.142 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.160 1.238 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.607 -0.391 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.125 -1.155 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.802 -1.469 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.732 -0.523 -1.261 1.00 0.00 H new ATOM 1056 N SER A 65 7.399 2.648 -2.065 1.00 0.00 N ATOM 1057 CA SER A 65 8.645 3.139 -1.455 1.00 0.00 C ATOM 1058 C SER A 65 8.321 3.735 -0.079 1.00 0.00 C ATOM 1059 O SER A 65 7.237 4.279 0.112 1.00 0.00 O ATOM 1060 CB SER A 65 9.291 4.198 -2.372 1.00 0.00 C ATOM 1061 OG SER A 65 9.538 3.684 -3.679 1.00 0.00 O ATOM 0 H SER A 65 6.588 3.232 -1.860 1.00 0.00 H new ATOM 0 HA SER A 65 9.352 2.319 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.637 5.068 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.228 4.538 -1.931 1.00 0.00 H new ATOM 0 HG SER A 65 9.946 4.382 -4.233 1.00 0.00 H new ATOM 1067 N LEU A 66 9.270 3.658 0.863 1.00 0.00 N ATOM 1068 CA LEU A 66 9.067 4.138 2.237 1.00 0.00 C ATOM 1069 C LEU A 66 9.749 5.507 2.371 1.00 0.00 C ATOM 1070 O LEU A 66 10.986 5.592 2.374 1.00 0.00 O ATOM 1071 CB LEU A 66 9.668 3.154 3.264 1.00 0.00 C ATOM 1072 CG LEU A 66 9.373 3.502 4.762 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.917 3.142 5.156 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.406 2.850 5.710 1.00 0.00 C ATOM 0 H LEU A 66 10.196 3.263 0.696 1.00 0.00 H new ATOM 0 HA LEU A 66 7.999 4.217 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.284 2.155 3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.748 3.117 3.121 1.00 0.00 H new ATOM 0 HG LEU A 66 9.475 4.582 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.749 3.398 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.222 3.701 4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.755 2.074 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.170 3.113 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.372 1.767 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.405 3.210 5.463 1.00 0.00 H new ATOM 1086 N THR A 67 8.942 6.565 2.466 1.00 0.00 N ATOM 1087 CA THR A 67 9.440 7.953 2.522 1.00 0.00 C ATOM 1088 C THR A 67 9.477 8.469 3.968 1.00 0.00 C ATOM 1089 O THR A 67 10.348 9.261 4.344 1.00 0.00 O ATOM 1090 CB THR A 67 8.552 8.876 1.637 1.00 0.00 C ATOM 1091 OG1 THR A 67 7.160 8.700 1.995 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.746 8.575 0.137 1.00 0.00 C ATOM 0 H THR A 67 7.925 6.491 2.507 1.00 0.00 H new ATOM 0 HA THR A 67 10.459 7.966 2.136 1.00 0.00 H new ATOM 0 HB THR A 67 8.853 9.908 1.815 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.621 8.616 1.181 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.111 9.237 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.789 8.736 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.475 7.539 -0.064 1.00 0.00 H new ATOM 1100 N SER A 68 8.532 7.983 4.768 1.00 0.00 N ATOM 1101 CA SER A 68 8.357 8.372 6.173 1.00 0.00 C ATOM 1102 C SER A 68 7.999 7.101 6.982 1.00 0.00 C ATOM 1103 O SER A 68 7.510 6.141 6.378 1.00 0.00 O ATOM 1104 CB SER A 68 7.250 9.454 6.255 1.00 0.00 C ATOM 1105 OG SER A 68 7.063 9.924 7.577 1.00 0.00 O ATOM 0 H SER A 68 7.849 7.293 4.455 1.00 0.00 H new ATOM 0 HA SER A 68 9.267 8.799 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.512 10.290 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.313 9.042 5.881 1.00 0.00 H new ATOM 0 HG SER A 68 6.359 10.605 7.585 1.00 0.00 H new ATOM 1111 N PRO A 69 8.301 7.036 8.333 1.00 0.00 N ATOM 1112 CA PRO A 69 7.902 5.900 9.213 1.00 0.00 C ATOM 1113 C PRO A 69 6.449 5.418 8.998 1.00 0.00 C ATOM 1114 O PRO A 69 5.500 6.176 9.223 1.00 0.00 O ATOM 1115 CB PRO A 69 8.081 6.498 10.624 1.00 0.00 C ATOM 1116 CG PRO A 69 9.237 7.434 10.486 1.00 0.00 C ATOM 1117 CD PRO A 69 9.118 8.032 9.093 1.00 0.00 C ATOM 0 HA PRO A 69 8.495 5.007 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.183 7.021 10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.284 5.722 11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.205 8.211 11.250 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.184 6.907 10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.633 9.008 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.097 8.175 8.636 1.00 0.00 H new ATOM 1125 N ALA A 70 6.320 4.168 8.500 1.00 0.00 N ATOM 1126 CA ALA A 70 5.027 3.498 8.223 1.00 0.00 C ATOM 1127 C ALA A 70 4.181 4.273 7.199 1.00 0.00 C ATOM 1128 O ALA A 70 2.965 4.173 7.191 1.00 0.00 O ATOM 1129 CB ALA A 70 4.257 3.241 9.537 1.00 0.00 C ATOM 0 H ALA A 70 7.126 3.585 8.275 1.00 0.00 H new ATOM 0 HA ALA A 70 5.243 2.531 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.311 2.749 9.314 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.853 2.603 10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.063 4.190 10.037 1.00 0.00 H new ATOM 1135 N THR A 71 4.844 5.035 6.324 1.00 0.00 N ATOM 1136 CA THR A 71 4.182 5.829 5.288 1.00 0.00 C ATOM 1137 C THR A 71 4.854 5.570 3.938 1.00 0.00 C ATOM 1138 O THR A 71 6.074 5.745 3.787 1.00 0.00 O ATOM 1139 CB THR A 71 4.216 7.347 5.634 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.660 7.559 6.936 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.434 8.186 4.619 1.00 0.00 C ATOM 0 H THR A 71 5.861 5.118 6.316 1.00 0.00 H new ATOM 0 HA THR A 71 3.136 5.528 5.233 1.00 0.00 H new ATOM 0 HB THR A 71 5.259 7.663 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.239 7.146 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.485 9.238 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.867 8.054 3.627 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.393 7.864 4.606 1.00 0.00 H new ATOM 1149 N TRP A 72 4.039 5.176 2.960 1.00 0.00 N ATOM 1150 CA TRP A 72 4.496 4.694 1.661 1.00 0.00 C ATOM 1151 C TRP A 72 3.991 5.634 0.571 1.00 0.00 C ATOM 1152 O TRP A 72 2.906 6.198 0.690 1.00 0.00 O ATOM 1153 CB TRP A 72 3.956 3.260 1.412 1.00 0.00 C ATOM 1154 CG TRP A 72 4.366 2.260 2.475 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.789 2.072 3.705 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.442 1.310 2.396 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.446 1.083 4.389 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.452 0.588 3.602 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.391 1.002 1.420 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.379 -0.419 3.859 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.299 -0.005 1.668 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.288 -0.706 2.881 1.00 0.00 C ATOM 0 H TRP A 72 3.023 5.184 3.052 1.00 0.00 H new ATOM 0 HA TRP A 72 5.586 4.669 1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.868 3.295 1.360 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.311 2.911 0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 72 2.940 2.624 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.222 0.766 5.332 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.414 1.544 0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.379 -0.953 4.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 8.031 -0.258 0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.013 -1.489 3.046 1.00 0.00 H new ATOM 1173 N CYS A 73 4.783 5.802 -0.487 1.00 0.00 N ATOM 1174 CA CYS A 73 4.384 6.538 -1.689 1.00 0.00 C ATOM 1175 C CYS A 73 4.299 5.561 -2.861 1.00 0.00 C ATOM 1176 O CYS A 73 4.901 4.466 -2.822 1.00 0.00 O ATOM 1177 CB CYS A 73 5.398 7.652 -2.012 1.00 0.00 C ATOM 1178 SG CYS A 73 5.616 8.870 -0.704 1.00 0.00 S ATOM 0 H CYS A 73 5.730 5.427 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 73 3.413 7.003 -1.516 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.363 7.195 -2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.077 8.165 -2.919 1.00 0.00 H new ATOM 0 HG CYS A 73 6.303 9.876 -1.158 1.00 0.00 H new ATOM 1184 N LEU A 74 3.539 5.963 -3.892 1.00 0.00 N ATOM 1185 CA LEU A 74 3.448 5.218 -5.139 1.00 0.00 C ATOM 1186 C LEU A 74 4.824 5.225 -5.828 1.00 0.00 C ATOM 1187 O LEU A 74 5.226 6.234 -6.414 1.00 0.00 O ATOM 1188 CB LEU A 74 2.386 5.846 -6.073 1.00 0.00 C ATOM 1189 CG LEU A 74 2.138 5.061 -7.385 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.412 3.729 -7.118 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.397 5.915 -8.426 1.00 0.00 C ATOM 0 H LEU A 74 2.975 6.813 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 74 3.147 4.193 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.445 5.926 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.696 6.860 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 74 3.113 4.818 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.255 3.205 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.018 3.111 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.449 3.927 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.241 5.330 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.432 6.224 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.991 6.798 -8.662 1.00 0.00 H new ATOM 1203 N GLY A 75 5.540 4.104 -5.715 1.00 0.00 N ATOM 1204 CA GLY A 75 6.844 3.940 -6.339 1.00 0.00 C ATOM 1205 C GLY A 75 6.728 3.528 -7.798 1.00 0.00 C ATOM 1206 O GLY A 75 7.573 3.893 -8.618 1.00 0.00 O ATOM 0 H GLY A 75 5.228 3.288 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.400 4.875 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.415 3.188 -5.794 1.00 0.00 H new ATOM 1210 N GLY A 76 5.663 2.768 -8.115 1.00 0.00 N ATOM 1211 CA GLY A 76 5.464 2.191 -9.445 1.00 0.00 C ATOM 1212 C GLY A 76 4.505 3.004 -10.292 1.00 0.00 C ATOM 1213 O GLY A 76 3.845 3.916 -9.797 1.00 0.00 O ATOM 0 H GLY A 76 4.921 2.541 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.425 2.121 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.083 1.175 -9.344 1.00 0.00 H new ATOM 1217 N THR A 77 4.430 2.658 -11.578 1.00 0.00 N ATOM 1218 CA THR A 77 3.571 3.338 -12.551 1.00 0.00 C ATOM 1219 C THR A 77 2.191 2.632 -12.619 1.00 0.00 C ATOM 1220 O THR A 77 1.876 1.902 -13.565 1.00 0.00 O ATOM 1221 CB THR A 77 4.290 3.396 -13.949 1.00 0.00 C ATOM 1222 OG1 THR A 77 5.606 3.944 -13.775 1.00 0.00 O ATOM 1223 CG2 THR A 77 3.544 4.271 -14.960 1.00 0.00 C ATOM 0 H THR A 77 4.969 1.890 -11.978 1.00 0.00 H new ATOM 0 HA THR A 77 3.392 4.367 -12.238 1.00 0.00 H new ATOM 0 HB THR A 77 4.321 2.378 -14.337 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.062 3.982 -14.642 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.085 4.275 -15.907 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.542 3.872 -15.116 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.474 5.289 -14.578 1.00 0.00 H new ATOM 1231 N ASP A 78 1.408 2.828 -11.542 1.00 0.00 N ATOM 1232 CA ASP A 78 0.030 2.292 -11.404 1.00 0.00 C ATOM 1233 C ASP A 78 -0.999 3.010 -12.330 1.00 0.00 C ATOM 1234 O ASP A 78 -1.700 2.322 -13.068 1.00 0.00 O ATOM 1235 CB ASP A 78 -0.407 2.360 -9.915 1.00 0.00 C ATOM 1236 CG ASP A 78 -1.850 1.899 -9.666 1.00 0.00 C ATOM 1237 OD1 ASP A 78 -2.106 0.682 -9.688 1.00 0.00 O ATOM 1238 OD2 ASP A 78 -2.742 2.751 -9.464 1.00 0.00 O ATOM 0 H ASP A 78 1.712 3.368 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 78 0.046 1.252 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.268 1.744 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.298 3.385 -9.561 1.00 0.00 H new ATOM 1243 N PRO A 79 -1.105 4.386 -12.338 1.00 0.00 N ATOM 1244 CA PRO A 79 -2.176 5.096 -13.091 1.00 0.00 C ATOM 1245 C PRO A 79 -2.074 4.929 -14.620 1.00 0.00 C ATOM 1246 O PRO A 79 -3.057 5.124 -15.327 1.00 0.00 O ATOM 1247 CB PRO A 79 -1.976 6.577 -12.696 1.00 0.00 C ATOM 1248 CG PRO A 79 -0.536 6.670 -12.316 1.00 0.00 C ATOM 1249 CD PRO A 79 -0.214 5.363 -11.644 1.00 0.00 C ATOM 0 HA PRO A 79 -3.159 4.695 -12.843 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.212 7.244 -13.525 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.625 6.858 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.092 6.826 -13.193 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.360 7.511 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.837 5.100 -11.760 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.417 5.401 -10.574 1.00 0.00 H new ATOM 1257 N GLU A 80 -0.878 4.593 -15.120 1.00 0.00 N ATOM 1258 CA GLU A 80 -0.623 4.486 -16.567 1.00 0.00 C ATOM 1259 C GLU A 80 -0.552 2.995 -16.947 1.00 0.00 C ATOM 1260 O GLU A 80 -1.572 2.428 -17.373 1.00 0.00 O ATOM 1261 CB GLU A 80 0.691 5.250 -16.925 1.00 0.00 C ATOM 1262 CG GLU A 80 0.817 6.653 -16.287 1.00 0.00 C ATOM 1263 CD GLU A 80 -0.253 7.643 -16.764 1.00 0.00 C ATOM 1264 OE1 GLU A 80 -0.081 8.218 -17.861 1.00 0.00 O ATOM 1265 OE2 GLU A 80 -1.272 7.840 -16.069 1.00 0.00 O ATOM 1266 OXT GLU A 80 0.518 2.379 -16.778 1.00 0.00 O ATOM 0 H GLU A 80 -0.064 4.389 -14.540 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.430 4.945 -17.139 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.543 4.646 -16.613 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.752 5.352 -18.009 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.754 6.557 -15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.803 7.059 -16.514 1.00 0.00 H new TER 1273 GLU A 80