USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 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 8 MET CE :methyl -177:sc= -1.49 (180deg=-1.32) USER MOD Set 1.2: A 120 ASN : amide:sc= -2.25! X(o=-3.7!,f=-3.9) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 106 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.6!) USER MOD Single : A 2 SER OG : rot 25:sc= 0.171 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 1.18 (180deg=1.05) USER MOD Single : A 9 SER OG : rot 94:sc= 1 USER MOD Single : A 46 SER OG : rot 33:sc= 0.0626 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.966 (180deg=0.966) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= 0.22 (180deg=-0.136) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 2.3 (180deg=1.75) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 146:sc= -0.651 (180deg=-2.88) USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= 1.05 (180deg=-2.16!) USER MOD Single : A 81 SER OG : rot 15:sc= 0.828 USER MOD Single : A 82 SER OG : rot -122:sc= 0.359 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -121:sc= 0.06 (180deg=-0.225) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0.882 K(o=0.88,f=-2.8!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.16) USER MOD Single : A 114 MET CE :methyl -153:sc= -5.82! (180deg=-7.08!) USER MOD Single : A 115 SER OG : rot -41:sc= 0.0507 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -179:sc= 0.501 (180deg=0.379) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.450 -5.826 -0.100 1.00 0.00 N ATOM 21 CA SER A 2 -20.333 -6.366 -0.855 1.00 0.00 C ATOM 22 C SER A 2 -19.036 -6.172 -0.081 1.00 0.00 C ATOM 23 O SER A 2 -18.462 -5.085 -0.075 1.00 0.00 O ATOM 24 CB SER A 2 -20.244 -5.671 -2.217 1.00 0.00 C ATOM 25 OG SER A 2 -21.488 -5.716 -2.896 1.00 0.00 O ATOM 0 HA SER A 2 -20.491 -7.433 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.938 -4.634 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.477 -6.152 -2.824 1.00 0.00 H new ATOM 0 HG SER A 2 -22.214 -5.802 -2.243 1.00 0.00 H new ATOM 31 N ILE A 3 -18.577 -7.227 0.573 1.00 0.00 N ATOM 32 CA ILE A 3 -17.436 -7.122 1.467 1.00 0.00 C ATOM 33 C ILE A 3 -16.130 -6.957 0.704 1.00 0.00 C ATOM 34 O ILE A 3 -15.167 -6.393 1.224 1.00 0.00 O ATOM 35 CB ILE A 3 -17.367 -8.326 2.414 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.753 -8.552 3.013 1.00 0.00 C ATOM 37 CG2 ILE A 3 -16.326 -8.100 3.504 1.00 0.00 C ATOM 38 CD1 ILE A 3 -18.758 -9.462 4.213 1.00 0.00 C ATOM 0 H ILE A 3 -18.976 -8.163 0.502 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.578 -6.223 2.066 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.062 -9.214 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.176 -7.589 3.298 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.405 -8.973 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.295 -8.967 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -15.347 -7.956 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -16.590 -7.214 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.778 -9.573 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.366 -10.439 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -18.134 -9.033 4.997 1.00 0.00 H new ATOM 50 N PHE A 4 -16.108 -7.403 -0.543 1.00 0.00 N ATOM 51 CA PHE A 4 -14.954 -7.166 -1.401 1.00 0.00 C ATOM 52 C PHE A 4 -14.785 -5.666 -1.650 1.00 0.00 C ATOM 53 O PHE A 4 -13.699 -5.196 -1.981 1.00 0.00 O ATOM 54 CB PHE A 4 -15.071 -7.937 -2.727 1.00 0.00 C ATOM 55 CG PHE A 4 -16.360 -7.729 -3.472 1.00 0.00 C ATOM 56 CD1 PHE A 4 -16.526 -6.637 -4.309 1.00 0.00 C ATOM 57 CD2 PHE A 4 -17.399 -8.638 -3.349 1.00 0.00 C ATOM 58 CE1 PHE A 4 -17.703 -6.454 -5.007 1.00 0.00 C ATOM 59 CE2 PHE A 4 -18.580 -8.458 -4.043 1.00 0.00 C ATOM 60 CZ PHE A 4 -18.731 -7.366 -4.873 1.00 0.00 C ATOM 0 H PHE A 4 -16.867 -7.926 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.066 -7.537 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.244 -7.645 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -14.955 -9.001 -2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -15.725 -5.921 -4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.284 -9.496 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -17.819 -5.599 -5.657 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -19.384 -9.171 -3.936 1.00 0.00 H new ATOM 0 HZ PHE A 4 -19.653 -7.225 -5.418 1.00 0.00 H new ATOM 70 N GLY A 5 -15.868 -4.918 -1.459 1.00 0.00 N ATOM 71 CA GLY A 5 -15.813 -3.476 -1.583 1.00 0.00 C ATOM 72 C GLY A 5 -15.607 -2.802 -0.241 1.00 0.00 C ATOM 73 O GLY A 5 -15.323 -1.609 -0.171 1.00 0.00 O ATOM 0 H GLY A 5 -16.787 -5.290 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.002 -3.200 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.738 -3.115 -2.033 1.00 0.00 H new ATOM 77 N LYS A 6 -15.739 -3.574 0.831 1.00 0.00 N ATOM 78 CA LYS A 6 -15.550 -3.052 2.177 1.00 0.00 C ATOM 79 C LYS A 6 -14.065 -3.067 2.531 1.00 0.00 C ATOM 80 O LYS A 6 -13.528 -2.092 3.059 1.00 0.00 O ATOM 81 CB LYS A 6 -16.339 -3.886 3.196 1.00 0.00 C ATOM 82 CG LYS A 6 -17.820 -4.038 2.863 1.00 0.00 C ATOM 83 CD LYS A 6 -18.506 -5.056 3.769 1.00 0.00 C ATOM 84 CE LYS A 6 -19.139 -4.412 4.990 1.00 0.00 C ATOM 85 NZ LYS A 6 -19.738 -5.423 5.909 1.00 0.00 N ATOM 0 H LYS A 6 -15.977 -4.565 0.793 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.920 -2.027 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.889 -4.877 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.244 -3.424 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.315 -3.072 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.928 -4.346 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.273 -5.584 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.778 -5.800 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.386 -3.835 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.910 -3.711 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.344 -4.943 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.309 -6.097 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.980 -5.935 6.404 1.00 0.00 H new ATOM 99 N ILE A 7 -13.403 -4.173 2.204 1.00 0.00 N ATOM 100 CA ILE A 7 -11.995 -4.364 2.547 1.00 0.00 C ATOM 101 C ILE A 7 -11.077 -3.519 1.669 1.00 0.00 C ATOM 102 O ILE A 7 -9.994 -3.115 2.095 1.00 0.00 O ATOM 103 CB ILE A 7 -11.574 -5.846 2.424 1.00 0.00 C ATOM 104 CG1 ILE A 7 -11.818 -6.362 1.000 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.332 -6.690 3.434 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.242 -7.737 0.739 1.00 0.00 C ATOM 0 H ILE A 7 -13.821 -4.955 1.699 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.891 -4.044 3.584 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.507 -5.923 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -12.891 -6.387 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.386 -5.657 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.028 -7.732 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.110 -6.338 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.403 -6.606 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.456 -8.032 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.163 -7.715 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.692 -8.456 1.424 1.00 0.00 H new ATOM 118 N MET A 8 -11.523 -3.230 0.450 1.00 0.00 N ATOM 119 CA MET A 8 -10.693 -2.517 -0.519 1.00 0.00 C ATOM 120 C MET A 8 -10.395 -1.093 -0.050 1.00 0.00 C ATOM 121 O MET A 8 -9.455 -0.461 -0.529 1.00 0.00 O ATOM 122 CB MET A 8 -11.354 -2.504 -1.908 1.00 0.00 C ATOM 123 CG MET A 8 -12.629 -1.672 -2.010 1.00 0.00 C ATOM 124 SD MET A 8 -12.313 0.086 -2.260 1.00 0.00 S ATOM 125 CE MET A 8 -11.489 0.061 -3.852 1.00 0.00 C ATOM 0 H MET A 8 -12.452 -3.477 0.109 1.00 0.00 H new ATOM 0 HA MET A 8 -9.746 -3.051 -0.598 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.633 -2.126 -2.633 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.585 -3.530 -2.193 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.234 -2.047 -2.835 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.215 -1.803 -1.100 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.182 1.072 -4.119 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.611 -0.582 -3.797 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.172 -0.323 -4.609 1.00 0.00 H new ATOM 135 N SER A 9 -11.188 -0.610 0.905 1.00 0.00 N ATOM 136 CA SER A 9 -11.037 0.737 1.446 1.00 0.00 C ATOM 137 C SER A 9 -9.647 0.948 2.049 1.00 0.00 C ATOM 138 O SER A 9 -9.062 2.023 1.928 1.00 0.00 O ATOM 139 CB SER A 9 -12.104 0.980 2.514 1.00 0.00 C ATOM 140 OG SER A 9 -13.379 0.543 2.063 1.00 0.00 O ATOM 0 H SER A 9 -11.951 -1.141 1.324 1.00 0.00 H new ATOM 0 HA SER A 9 -11.159 1.447 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.836 0.451 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.144 2.041 2.759 1.00 0.00 H new ATOM 0 HG SER A 9 -13.533 -0.378 2.359 1.00 0.00 H new ATOM 146 N ALA A 10 -9.114 -0.086 2.684 1.00 0.00 N ATOM 147 CA ALA A 10 -7.834 0.026 3.365 1.00 0.00 C ATOM 148 C ALA A 10 -6.683 -0.413 2.467 1.00 0.00 C ATOM 149 O ALA A 10 -5.515 -0.239 2.810 1.00 0.00 O ATOM 150 CB ALA A 10 -7.859 -0.790 4.645 1.00 0.00 C ATOM 0 H ALA A 10 -9.547 -1.008 2.741 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.669 1.074 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.898 -0.703 5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.648 -0.418 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.049 -1.836 4.406 1.00 0.00 H new ATOM 156 N ILE A 11 -7.016 -0.982 1.316 1.00 0.00 N ATOM 157 CA ILE A 11 -6.004 -1.460 0.386 1.00 0.00 C ATOM 158 C ILE A 11 -5.779 -0.444 -0.728 1.00 0.00 C ATOM 159 O ILE A 11 -4.654 -0.021 -0.984 1.00 0.00 O ATOM 160 CB ILE A 11 -6.405 -2.816 -0.237 1.00 0.00 C ATOM 161 CG1 ILE A 11 -6.673 -3.855 0.858 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.318 -3.307 -1.181 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.145 -5.189 0.325 1.00 0.00 C ATOM 0 H ILE A 11 -7.977 -1.123 1.005 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.082 -1.594 0.951 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.323 -2.675 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.761 -4.006 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.423 -3.462 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.615 -4.263 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.173 -2.579 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.386 -3.431 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.314 -5.874 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.075 -5.052 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.387 -5.605 -0.339 1.00 0.00 H new ATOM 175 N PHE A 12 -6.862 -0.033 -1.370 1.00 0.00 N ATOM 176 CA PHE A 12 -6.779 0.880 -2.502 1.00 0.00 C ATOM 177 C PHE A 12 -7.019 2.313 -2.058 1.00 0.00 C ATOM 178 O PHE A 12 -7.085 3.231 -2.876 1.00 0.00 O ATOM 179 CB PHE A 12 -7.794 0.483 -3.577 1.00 0.00 C ATOM 180 CG PHE A 12 -7.572 -0.898 -4.127 1.00 0.00 C ATOM 181 CD1 PHE A 12 -8.149 -2.004 -3.520 1.00 0.00 C ATOM 182 CD2 PHE A 12 -6.774 -1.093 -5.242 1.00 0.00 C ATOM 183 CE1 PHE A 12 -7.935 -3.273 -4.019 1.00 0.00 C ATOM 184 CE2 PHE A 12 -6.559 -2.361 -5.745 1.00 0.00 C ATOM 185 CZ PHE A 12 -7.137 -3.452 -5.132 1.00 0.00 C ATOM 0 H PHE A 12 -7.811 -0.317 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.775 0.815 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.798 0.542 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.747 1.203 -4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.772 -1.871 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.314 -0.243 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.392 -4.126 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.938 -2.498 -6.618 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.966 -4.445 -5.521 1.00 0.00 H new ATOM 195 N GLY A 13 -7.152 2.499 -0.757 1.00 0.00 N ATOM 196 CA GLY A 13 -7.361 3.824 -0.216 1.00 0.00 C ATOM 197 C GLY A 13 -6.164 4.298 0.577 1.00 0.00 C ATOM 198 O GLY A 13 -6.269 5.219 1.390 1.00 0.00 O ATOM 0 H GLY A 13 -7.119 1.753 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.559 4.522 -1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.244 3.821 0.424 1.00 0.00 H new ATOM 572 N SER A 46 0.382 0.898 -9.904 1.00 0.00 N ATOM 573 CA SER A 46 -0.292 -0.307 -9.457 1.00 0.00 C ATOM 574 C SER A 46 -0.339 -0.312 -7.935 1.00 0.00 C ATOM 575 O SER A 46 0.578 0.194 -7.284 1.00 0.00 O ATOM 576 CB SER A 46 0.445 -1.550 -9.968 1.00 0.00 C ATOM 577 OG SER A 46 0.522 -1.560 -11.385 1.00 0.00 O ATOM 0 HA SER A 46 -1.307 -0.325 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.450 -1.578 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.069 -2.447 -9.624 1.00 0.00 H new ATOM 0 HG SER A 46 0.596 -0.640 -11.715 1.00 0.00 H new ATOM 583 N ILE A 47 -1.402 -0.866 -7.376 1.00 0.00 N ATOM 584 CA ILE A 47 -1.530 -0.961 -5.932 1.00 0.00 C ATOM 585 C ILE A 47 -0.864 -2.240 -5.441 1.00 0.00 C ATOM 586 O ILE A 47 -1.318 -3.340 -5.741 1.00 0.00 O ATOM 587 CB ILE A 47 -3.016 -0.934 -5.499 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.630 0.439 -5.799 1.00 0.00 C ATOM 589 CG2 ILE A 47 -3.167 -1.282 -4.022 1.00 0.00 C ATOM 590 CD1 ILE A 47 -2.952 1.586 -5.079 1.00 0.00 C ATOM 0 H ILE A 47 -2.187 -1.256 -7.899 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.035 -0.099 -5.485 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.552 -1.690 -6.073 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.584 0.620 -6.873 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.684 0.422 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.222 -1.255 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.771 -2.281 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.617 -0.559 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.443 2.522 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.021 1.431 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.903 1.631 -5.373 1.00 0.00 H new ATOM 602 N ASP A 48 0.233 -2.091 -4.717 1.00 0.00 N ATOM 603 CA ASP A 48 0.979 -3.243 -4.228 1.00 0.00 C ATOM 604 C ASP A 48 0.297 -3.820 -2.994 1.00 0.00 C ATOM 605 O ASP A 48 0.495 -3.339 -1.880 1.00 0.00 O ATOM 606 CB ASP A 48 2.426 -2.853 -3.909 1.00 0.00 C ATOM 607 CG ASP A 48 3.333 -4.057 -3.764 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.889 -5.185 -4.068 1.00 0.00 O ATOM 609 OD2 ASP A 48 4.505 -3.883 -3.374 1.00 0.00 O ATOM 0 H ASP A 48 0.627 -1.188 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 48 0.996 -4.004 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.808 -2.208 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.448 -2.273 -2.986 1.00 0.00 H new ATOM 614 N VAL A 49 -0.516 -4.844 -3.209 1.00 0.00 N ATOM 615 CA VAL A 49 -1.353 -5.402 -2.152 1.00 0.00 C ATOM 616 C VAL A 49 -0.560 -6.359 -1.261 1.00 0.00 C ATOM 617 O VAL A 49 -0.883 -6.546 -0.086 1.00 0.00 O ATOM 618 CB VAL A 49 -2.566 -6.149 -2.753 1.00 0.00 C ATOM 619 CG1 VAL A 49 -3.528 -6.600 -1.668 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.283 -5.277 -3.773 1.00 0.00 C ATOM 0 H VAL A 49 -0.615 -5.309 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.706 -4.569 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.191 -7.038 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.370 -7.122 -2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.013 -7.271 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.893 -5.731 -1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.133 -5.822 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.635 -4.366 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.595 -5.018 -4.578 1.00 0.00 H new ATOM 630 N ALA A 50 0.491 -6.943 -1.829 1.00 0.00 N ATOM 631 CA ALA A 50 1.293 -7.952 -1.137 1.00 0.00 C ATOM 632 C ALA A 50 1.810 -7.468 0.230 1.00 0.00 C ATOM 633 O ALA A 50 1.514 -8.095 1.251 1.00 0.00 O ATOM 634 CB ALA A 50 2.447 -8.412 -2.020 1.00 0.00 C ATOM 0 H ALA A 50 0.811 -6.734 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 50 0.636 -8.799 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.034 -9.163 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.052 -8.843 -2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.082 -7.560 -2.262 1.00 0.00 H new ATOM 640 N PRO A 51 2.570 -6.348 0.295 1.00 0.00 N ATOM 641 CA PRO A 51 3.127 -5.864 1.562 1.00 0.00 C ATOM 642 C PRO A 51 2.039 -5.429 2.535 1.00 0.00 C ATOM 643 O PRO A 51 2.153 -5.648 3.743 1.00 0.00 O ATOM 644 CB PRO A 51 3.990 -4.664 1.154 1.00 0.00 C ATOM 645 CG PRO A 51 3.442 -4.227 -0.156 1.00 0.00 C ATOM 646 CD PRO A 51 2.939 -5.471 -0.831 1.00 0.00 C ATOM 0 HA PRO A 51 3.687 -6.642 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.931 -3.865 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.040 -4.943 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.637 -3.504 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 51 4.210 -3.740 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.084 -5.261 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.706 -5.925 -1.459 1.00 0.00 H new ATOM 654 N ILE A 52 0.976 -4.838 1.998 1.00 0.00 N ATOM 655 CA ILE A 52 -0.124 -4.344 2.811 1.00 0.00 C ATOM 656 C ILE A 52 -0.751 -5.479 3.614 1.00 0.00 C ATOM 657 O ILE A 52 -0.809 -5.421 4.840 1.00 0.00 O ATOM 658 CB ILE A 52 -1.216 -3.670 1.948 1.00 0.00 C ATOM 659 CG1 ILE A 52 -0.637 -2.477 1.178 1.00 0.00 C ATOM 660 CG2 ILE A 52 -2.383 -3.219 2.821 1.00 0.00 C ATOM 661 CD1 ILE A 52 -1.648 -1.782 0.286 1.00 0.00 C ATOM 0 H ILE A 52 0.855 -4.690 0.996 1.00 0.00 H new ATOM 0 HA ILE A 52 0.291 -3.599 3.490 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.582 -4.402 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.236 -1.755 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.198 -2.820 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.142 -2.747 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.814 -4.083 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.027 -2.505 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.168 -0.949 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.031 -2.489 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.472 -1.408 0.893 1.00 0.00 H new ATOM 673 N LEU A 53 -1.182 -6.528 2.923 1.00 0.00 N ATOM 674 CA LEU A 53 -1.904 -7.607 3.577 1.00 0.00 C ATOM 675 C LEU A 53 -0.976 -8.492 4.401 1.00 0.00 C ATOM 676 O LEU A 53 -1.311 -8.852 5.526 1.00 0.00 O ATOM 677 CB LEU A 53 -2.672 -8.449 2.557 1.00 0.00 C ATOM 678 CG LEU A 53 -3.835 -7.735 1.864 1.00 0.00 C ATOM 679 CD1 LEU A 53 -4.649 -8.719 1.041 1.00 0.00 C ATOM 680 CD2 LEU A 53 -4.719 -7.044 2.887 1.00 0.00 C ATOM 0 H LEU A 53 -1.045 -6.652 1.920 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.618 -7.146 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.973 -8.794 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.059 -9.335 3.060 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.425 -6.980 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.472 -8.194 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.011 -9.174 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.049 -9.496 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.541 -6.541 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.120 -7.784 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.132 -6.310 3.439 1.00 0.00 H new ATOM 692 N ASP A 54 0.193 -8.824 3.856 1.00 0.00 N ATOM 693 CA ASP A 54 1.119 -9.731 4.543 1.00 0.00 C ATOM 694 C ASP A 54 1.533 -9.166 5.899 1.00 0.00 C ATOM 695 O ASP A 54 1.611 -9.897 6.887 1.00 0.00 O ATOM 696 CB ASP A 54 2.361 -10.002 3.688 1.00 0.00 C ATOM 697 CG ASP A 54 3.265 -11.065 4.294 1.00 0.00 C ATOM 698 OD1 ASP A 54 3.025 -12.268 4.040 1.00 0.00 O ATOM 699 OD2 ASP A 54 4.220 -10.700 5.022 1.00 0.00 O ATOM 0 H ASP A 54 0.521 -8.485 2.952 1.00 0.00 H new ATOM 0 HA ASP A 54 0.596 -10.674 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.051 -10.318 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.924 -9.077 3.567 1.00 0.00 H new ATOM 704 N LYS A 55 1.781 -7.862 5.949 1.00 0.00 N ATOM 705 CA LYS A 55 2.145 -7.212 7.199 1.00 0.00 C ATOM 706 C LYS A 55 0.926 -7.046 8.102 1.00 0.00 C ATOM 707 O LYS A 55 1.010 -7.258 9.310 1.00 0.00 O ATOM 708 CB LYS A 55 2.801 -5.848 6.948 1.00 0.00 C ATOM 709 CG LYS A 55 4.324 -5.890 6.820 1.00 0.00 C ATOM 710 CD LYS A 55 4.800 -6.054 5.378 1.00 0.00 C ATOM 711 CE LYS A 55 4.631 -7.475 4.867 1.00 0.00 C ATOM 712 NZ LYS A 55 5.518 -8.438 5.566 1.00 0.00 N ATOM 0 H LYS A 55 1.737 -7.239 5.143 1.00 0.00 H new ATOM 0 HA LYS A 55 2.869 -7.854 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.384 -5.421 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.536 -5.176 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.743 -4.972 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.710 -6.714 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.244 -5.372 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.850 -5.770 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.593 -7.783 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.842 -7.501 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.365 -9.392 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.511 -8.162 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.300 -8.435 6.583 1.00 0.00 H new ATOM 726 N ALA A 56 -0.211 -6.687 7.510 1.00 0.00 N ATOM 727 CA ALA A 56 -1.441 -6.482 8.272 1.00 0.00 C ATOM 728 C ALA A 56 -1.916 -7.781 8.915 1.00 0.00 C ATOM 729 O ALA A 56 -2.586 -7.764 9.946 1.00 0.00 O ATOM 730 CB ALA A 56 -2.530 -5.909 7.383 1.00 0.00 C ATOM 0 H ALA A 56 -0.306 -6.532 6.506 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.224 -5.769 9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.438 -5.763 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.202 -4.952 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.733 -6.600 6.565 1.00 0.00 H new ATOM 736 N VAL A 57 -1.555 -8.902 8.309 1.00 0.00 N ATOM 737 CA VAL A 57 -1.903 -10.213 8.840 1.00 0.00 C ATOM 738 C VAL A 57 -1.281 -10.408 10.214 1.00 0.00 C ATOM 739 O VAL A 57 -1.945 -10.800 11.175 1.00 0.00 O ATOM 740 CB VAL A 57 -1.423 -11.333 7.889 1.00 0.00 C ATOM 741 CG1 VAL A 57 -1.338 -12.667 8.609 1.00 0.00 C ATOM 742 CG2 VAL A 57 -2.346 -11.441 6.685 1.00 0.00 C ATOM 0 H VAL A 57 -1.017 -8.930 7.443 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.988 -10.266 8.926 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.423 -11.072 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.998 -13.435 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.634 -12.589 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.322 -12.936 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.993 -12.234 6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.357 -11.671 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.350 -10.495 6.144 1.00 0.00 H new ATOM 752 N LYS A 58 -0.009 -10.080 10.296 1.00 0.00 N ATOM 753 CA LYS A 58 0.770 -10.300 11.496 1.00 0.00 C ATOM 754 C LYS A 58 0.501 -9.190 12.505 1.00 0.00 C ATOM 755 O LYS A 58 0.787 -9.332 13.695 1.00 0.00 O ATOM 756 CB LYS A 58 2.246 -10.358 11.119 1.00 0.00 C ATOM 757 CG LYS A 58 2.484 -11.198 9.873 1.00 0.00 C ATOM 758 CD LYS A 58 3.913 -11.119 9.380 1.00 0.00 C ATOM 759 CE LYS A 58 4.838 -11.995 10.204 1.00 0.00 C ATOM 760 NZ LYS A 58 6.225 -11.984 9.673 1.00 0.00 N ATOM 0 H LYS A 58 0.515 -9.653 9.532 1.00 0.00 H new ATOM 0 HA LYS A 58 0.486 -11.244 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.617 -9.347 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.816 -10.773 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.235 -12.237 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.812 -10.866 9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.955 -11.426 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.256 -10.085 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.842 -11.649 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.460 -13.017 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.827 -12.594 10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.225 -12.338 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.595 -11.012 9.689 1.00 0.00 H new ATOM 774 N ALA A 59 -0.055 -8.088 12.013 1.00 0.00 N ATOM 775 CA ALA A 59 -0.463 -6.982 12.866 1.00 0.00 C ATOM 776 C ALA A 59 -1.833 -7.259 13.476 1.00 0.00 C ATOM 777 O ALA A 59 -2.128 -6.821 14.592 1.00 0.00 O ATOM 778 CB ALA A 59 -0.483 -5.683 12.074 1.00 0.00 C ATOM 0 H ALA A 59 -0.234 -7.938 11.020 1.00 0.00 H new ATOM 0 HA ALA A 59 0.260 -6.881 13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.790 -4.865 12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.514 -5.480 11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.187 -5.772 11.247 1.00 0.00 H new ATOM 784 N LYS A 60 -2.663 -7.988 12.732 1.00 0.00 N ATOM 785 CA LYS A 60 -3.985 -8.377 13.201 1.00 0.00 C ATOM 786 C LYS A 60 -3.857 -9.332 14.382 1.00 0.00 C ATOM 787 O LYS A 60 -4.500 -9.146 15.415 1.00 0.00 O ATOM 788 CB LYS A 60 -4.786 -9.038 12.070 1.00 0.00 C ATOM 789 CG LYS A 60 -6.236 -9.327 12.433 1.00 0.00 C ATOM 790 CD LYS A 60 -7.024 -8.043 12.640 1.00 0.00 C ATOM 791 CE LYS A 60 -8.446 -8.320 13.099 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.210 -7.062 13.302 1.00 0.00 N ATOM 0 H LYS A 60 -2.438 -8.322 11.795 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.518 -7.482 13.523 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.763 -8.390 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.298 -9.971 11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.700 -9.917 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.272 -9.928 13.342 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.518 -7.422 13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.047 -7.477 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.954 -8.939 12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.425 -8.888 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.203 -7.211 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.162 -6.785 14.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.800 -6.308 12.714 1.00 0.00 H new ATOM 806 N GLY A 61 -3.030 -10.358 14.221 1.00 0.00 N ATOM 807 CA GLY A 61 -2.743 -11.248 15.329 1.00 0.00 C ATOM 808 C GLY A 61 -2.634 -12.700 14.914 1.00 0.00 C ATOM 809 O GLY A 61 -1.777 -13.433 15.412 1.00 0.00 O ATOM 0 H GLY A 61 -2.556 -10.589 13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.810 -10.941 15.801 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.528 -11.149 16.079 1.00 0.00 H new ATOM 813 N GLU A 62 -3.494 -13.114 13.998 1.00 0.00 N ATOM 814 CA GLU A 62 -3.553 -14.508 13.575 1.00 0.00 C ATOM 815 C GLU A 62 -2.615 -14.747 12.404 1.00 0.00 C ATOM 816 O GLU A 62 -2.195 -13.802 11.739 1.00 0.00 O ATOM 817 CB GLU A 62 -4.973 -14.865 13.137 1.00 0.00 C ATOM 818 CG GLU A 62 -6.048 -14.364 14.077 1.00 0.00 C ATOM 819 CD GLU A 62 -7.443 -14.621 13.547 1.00 0.00 C ATOM 820 OE1 GLU A 62 -7.890 -15.785 13.579 1.00 0.00 O ATOM 821 OE2 GLU A 62 -8.101 -13.665 13.092 1.00 0.00 O ATOM 0 H GLU A 62 -4.164 -12.504 13.530 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.255 -15.130 14.419 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.151 -14.452 12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.055 -15.949 13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.935 -14.850 15.046 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.915 -13.294 14.240 1.00 0.00 H new ATOM 828 N LYS A 63 -2.295 -16.006 12.137 1.00 0.00 N ATOM 829 CA LYS A 63 -1.580 -16.331 10.917 1.00 0.00 C ATOM 830 C LYS A 63 -2.600 -16.446 9.795 1.00 0.00 C ATOM 831 O LYS A 63 -2.975 -17.540 9.375 1.00 0.00 O ATOM 832 CB LYS A 63 -0.773 -17.631 11.049 1.00 0.00 C ATOM 833 CG LYS A 63 0.460 -17.707 10.142 1.00 0.00 C ATOM 834 CD LYS A 63 0.123 -17.575 8.660 1.00 0.00 C ATOM 835 CE LYS A 63 0.754 -16.327 8.056 1.00 0.00 C ATOM 836 NZ LYS A 63 0.386 -16.143 6.623 1.00 0.00 N ATOM 0 H LYS A 63 -2.515 -16.802 12.736 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.859 -15.542 10.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.454 -17.742 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.426 -18.474 10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.158 -16.918 10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.969 -18.656 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.474 -18.457 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.959 -17.535 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.439 -15.452 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.838 -16.392 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.119 -15.581 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.308 -17.072 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.526 -15.648 6.560 1.00 0.00 H new ATOM 850 N LEU A 64 -3.078 -15.297 9.363 1.00 0.00 N ATOM 851 CA LEU A 64 -4.027 -15.212 8.271 1.00 0.00 C ATOM 852 C LEU A 64 -3.335 -15.522 6.955 1.00 0.00 C ATOM 853 O LEU A 64 -2.163 -15.196 6.768 1.00 0.00 O ATOM 854 CB LEU A 64 -4.625 -13.810 8.235 1.00 0.00 C ATOM 855 CG LEU A 64 -5.116 -13.300 9.587 1.00 0.00 C ATOM 856 CD1 LEU A 64 -5.337 -11.801 9.553 1.00 0.00 C ATOM 857 CD2 LEU A 64 -6.391 -14.009 9.984 1.00 0.00 C ATOM 0 H LEU A 64 -2.819 -14.394 9.760 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.824 -15.940 8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.876 -13.118 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.458 -13.801 7.532 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.348 -13.514 10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.687 -11.463 10.528 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.400 -11.300 9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.084 -11.560 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.729 -13.635 10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.159 -13.823 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.205 -15.081 10.055 1.00 0.00 H new ATOM 869 N GLU A 65 -4.044 -16.159 6.048 1.00 0.00 N ATOM 870 CA GLU A 65 -3.464 -16.484 4.764 1.00 0.00 C ATOM 871 C GLU A 65 -4.366 -16.012 3.636 1.00 0.00 C ATOM 872 O GLU A 65 -5.226 -16.750 3.158 1.00 0.00 O ATOM 873 CB GLU A 65 -3.190 -17.986 4.658 1.00 0.00 C ATOM 874 CG GLU A 65 -2.157 -18.322 3.600 1.00 0.00 C ATOM 875 CD GLU A 65 -0.891 -17.506 3.775 1.00 0.00 C ATOM 876 OE1 GLU A 65 -0.020 -17.909 4.576 1.00 0.00 O ATOM 877 OE2 GLU A 65 -0.776 -16.447 3.129 1.00 0.00 O ATOM 0 H GLU A 65 -5.011 -16.459 6.173 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.511 -15.963 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.848 -18.357 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.121 -18.505 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.916 -19.384 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.576 -18.137 2.611 1.00 0.00 H new ATOM 884 N TRP A 66 -4.167 -14.769 3.220 1.00 0.00 N ATOM 885 CA TRP A 66 -4.981 -14.165 2.174 1.00 0.00 C ATOM 886 C TRP A 66 -4.678 -14.785 0.813 1.00 0.00 C ATOM 887 O TRP A 66 -5.438 -14.620 -0.145 1.00 0.00 O ATOM 888 CB TRP A 66 -4.762 -12.646 2.132 1.00 0.00 C ATOM 889 CG TRP A 66 -3.321 -12.227 2.031 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.438 -12.077 3.062 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.607 -11.880 0.839 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.220 -11.664 2.583 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.296 -11.538 1.222 1.00 0.00 C ATOM 894 CE3 TRP A 66 -2.945 -11.827 -0.515 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.326 -11.150 0.304 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -1.980 -11.442 -1.427 1.00 0.00 C ATOM 897 CH2 TRP A 66 -0.683 -11.108 -1.014 1.00 0.00 C ATOM 0 H TRP A 66 -3.443 -14.155 3.594 1.00 0.00 H new ATOM 0 HA TRP A 66 -6.027 -14.361 2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.307 -12.236 1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -5.194 -12.204 3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.665 -12.257 4.102 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.392 -11.481 3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.942 -12.082 -0.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.673 -10.891 0.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.230 -11.398 -2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.048 -10.812 -1.752 1.00 0.00 H new ATOM 908 N ARG A 67 -3.571 -15.518 0.745 1.00 0.00 N ATOM 909 CA ARG A 67 -3.150 -16.172 -0.486 1.00 0.00 C ATOM 910 C ARG A 67 -4.120 -17.282 -0.891 1.00 0.00 C ATOM 911 O ARG A 67 -4.200 -17.643 -2.065 1.00 0.00 O ATOM 912 CB ARG A 67 -1.737 -16.740 -0.314 1.00 0.00 C ATOM 913 CG ARG A 67 -0.669 -15.671 -0.137 1.00 0.00 C ATOM 914 CD ARG A 67 0.650 -16.269 0.330 1.00 0.00 C ATOM 915 NE ARG A 67 1.703 -15.259 0.457 1.00 0.00 N ATOM 916 CZ ARG A 67 1.971 -14.589 1.582 1.00 0.00 C ATOM 917 NH1 ARG A 67 1.257 -14.805 2.682 1.00 0.00 N ATOM 918 NH2 ARG A 67 2.962 -13.705 1.614 1.00 0.00 N ATOM 0 H ARG A 67 -2.946 -15.674 1.536 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.148 -15.428 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.723 -17.402 0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.490 -17.348 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.518 -15.147 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.010 -14.931 0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.503 -16.761 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.969 -17.036 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 67 2.269 -15.054 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.498 -15.486 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.468 -14.289 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.521 -13.536 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.163 -13.196 2.474 1.00 0.00 H new ATOM 932 N THR A 68 -4.872 -17.811 0.073 1.00 0.00 N ATOM 933 CA THR A 68 -5.800 -18.898 -0.215 1.00 0.00 C ATOM 934 C THR A 68 -7.115 -18.778 0.567 1.00 0.00 C ATOM 935 O THR A 68 -8.168 -19.157 0.062 1.00 0.00 O ATOM 936 CB THR A 68 -5.154 -20.277 0.055 1.00 0.00 C ATOM 937 OG1 THR A 68 -6.062 -21.327 -0.303 1.00 0.00 O ATOM 938 CG2 THR A 68 -4.750 -20.427 1.517 1.00 0.00 C ATOM 0 H THR A 68 -4.857 -17.508 1.047 1.00 0.00 H new ATOM 0 HA THR A 68 -6.037 -18.816 -1.276 1.00 0.00 H new ATOM 0 HB THR A 68 -4.255 -20.347 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.643 -22.196 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.300 -21.407 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.029 -19.652 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.632 -20.329 2.150 1.00 0.00 H new ATOM 946 N SER A 69 -7.063 -18.240 1.779 1.00 0.00 N ATOM 947 CA SER A 69 -8.245 -18.162 2.622 1.00 0.00 C ATOM 948 C SER A 69 -8.904 -16.796 2.505 1.00 0.00 C ATOM 949 O SER A 69 -8.284 -15.766 2.777 1.00 0.00 O ATOM 950 CB SER A 69 -7.878 -18.453 4.076 1.00 0.00 C ATOM 951 OG SER A 69 -7.370 -19.768 4.218 1.00 0.00 O ATOM 0 H SER A 69 -6.217 -17.853 2.197 1.00 0.00 H new ATOM 0 HA SER A 69 -8.958 -18.914 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.134 -17.733 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.757 -18.329 4.709 1.00 0.00 H new ATOM 0 HG SER A 69 -7.141 -19.930 5.157 1.00 0.00 H new ATOM 957 N ILE A 70 -10.162 -16.793 2.096 1.00 0.00 N ATOM 958 CA ILE A 70 -10.896 -15.554 1.905 1.00 0.00 C ATOM 959 C ILE A 70 -11.433 -15.029 3.237 1.00 0.00 C ATOM 960 O ILE A 70 -11.522 -13.820 3.452 1.00 0.00 O ATOM 961 CB ILE A 70 -12.057 -15.745 0.898 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.695 -14.402 0.552 1.00 0.00 C ATOM 963 CG2 ILE A 70 -13.102 -16.710 1.439 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.746 -13.450 -0.140 1.00 0.00 C ATOM 0 H ILE A 70 -10.697 -17.637 1.890 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.204 -14.818 1.495 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.642 -16.176 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.559 -14.573 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.064 -13.936 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.904 -16.824 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.640 -17.680 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.511 -16.319 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.263 -12.515 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.893 -13.251 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.397 -13.897 -1.071 1.00 0.00 H new ATOM 976 N VAL A 71 -11.751 -15.945 4.141 1.00 0.00 N ATOM 977 CA VAL A 71 -12.332 -15.585 5.423 1.00 0.00 C ATOM 978 C VAL A 71 -11.306 -14.889 6.319 1.00 0.00 C ATOM 979 O VAL A 71 -11.658 -14.039 7.141 1.00 0.00 O ATOM 980 CB VAL A 71 -12.911 -16.830 6.140 1.00 0.00 C ATOM 981 CG1 VAL A 71 -11.820 -17.856 6.424 1.00 0.00 C ATOM 982 CG2 VAL A 71 -13.629 -16.433 7.427 1.00 0.00 C ATOM 0 H VAL A 71 -11.615 -16.947 4.007 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.147 -14.888 5.229 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.640 -17.290 5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.255 -18.719 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.366 -18.174 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.058 -17.409 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.027 -17.325 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.927 -15.938 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.447 -15.752 7.192 1.00 0.00 H new ATOM 992 N ASP A 72 -10.033 -15.223 6.136 1.00 0.00 N ATOM 993 CA ASP A 72 -8.985 -14.689 6.993 1.00 0.00 C ATOM 994 C ASP A 72 -8.615 -13.271 6.597 1.00 0.00 C ATOM 995 O ASP A 72 -8.415 -12.418 7.459 1.00 0.00 O ATOM 996 CB ASP A 72 -7.745 -15.583 6.976 1.00 0.00 C ATOM 997 CG ASP A 72 -7.950 -16.863 7.761 1.00 0.00 C ATOM 998 OD1 ASP A 72 -8.065 -16.792 9.006 1.00 0.00 O ATOM 999 OD2 ASP A 72 -7.999 -17.942 7.138 1.00 0.00 O ATOM 0 H ASP A 72 -9.705 -15.857 5.407 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.380 -14.668 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.490 -15.828 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.899 -15.036 7.392 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.542 -13.008 5.296 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.208 -11.670 4.822 1.00 0.00 C ATOM 1006 C LEU A 73 -9.347 -10.702 5.119 1.00 0.00 C ATOM 1007 O LEU A 73 -9.128 -9.510 5.309 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.859 -11.682 3.324 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.942 -12.190 2.363 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -9.913 -11.078 1.988 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -8.300 -12.777 1.115 1.00 0.00 C ATOM 0 H LEU A 73 -8.707 -13.694 4.560 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.323 -11.327 5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.593 -10.667 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.969 -12.297 3.188 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.508 -12.970 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.668 -11.469 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.398 -10.699 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.369 -10.269 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.077 -13.135 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.709 -12.010 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.653 -13.608 1.395 1.00 0.00 H new ATOM 1023 N MET A 74 -10.558 -11.235 5.179 1.00 0.00 N ATOM 1024 CA MET A 74 -11.731 -10.438 5.499 1.00 0.00 C ATOM 1025 C MET A 74 -11.610 -9.850 6.904 1.00 0.00 C ATOM 1026 O MET A 74 -11.653 -8.634 7.089 1.00 0.00 O ATOM 1027 CB MET A 74 -12.995 -11.294 5.372 1.00 0.00 C ATOM 1028 CG MET A 74 -14.282 -10.553 5.704 1.00 0.00 C ATOM 1029 SD MET A 74 -15.758 -11.550 5.414 1.00 0.00 S ATOM 1030 CE MET A 74 -15.382 -13.014 6.373 1.00 0.00 C ATOM 0 H MET A 74 -10.754 -12.222 5.009 1.00 0.00 H new ATOM 0 HA MET A 74 -11.801 -9.611 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.061 -11.677 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.904 -12.157 6.032 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.258 -10.243 6.749 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.339 -9.645 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.301 -13.417 6.798 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.922 -13.763 5.728 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.694 -12.755 7.177 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.423 -10.710 7.898 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.307 -10.241 9.270 1.00 0.00 C ATOM 1042 C LYS A 75 -9.987 -9.506 9.496 1.00 0.00 C ATOM 1043 O LYS A 75 -9.883 -8.710 10.424 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.497 -11.384 10.279 1.00 0.00 C ATOM 1045 CG LYS A 75 -10.684 -12.640 10.000 1.00 0.00 C ATOM 1046 CD LYS A 75 -11.154 -13.786 10.889 1.00 0.00 C ATOM 1047 CE LYS A 75 -10.504 -15.110 10.519 1.00 0.00 C ATOM 1048 NZ LYS A 75 -9.076 -15.163 10.921 1.00 0.00 N ATOM 0 H LYS A 75 -11.350 -11.721 7.782 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.113 -9.527 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.238 -11.017 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.553 -11.653 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.784 -12.920 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.627 -12.443 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.928 -13.552 11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.237 -13.882 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.046 -15.926 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.583 -15.264 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.497 -15.458 10.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.770 -14.222 11.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.959 -15.846 11.696 1.00 0.00 H new ATOM 1062 N ALA A 76 -9.003 -9.754 8.627 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.715 -9.054 8.674 1.00 0.00 C ATOM 1064 C ALA A 76 -7.905 -7.543 8.562 1.00 0.00 C ATOM 1065 O ALA A 76 -7.417 -6.787 9.402 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.803 -9.540 7.557 1.00 0.00 C ATOM 0 H ALA A 76 -9.075 -10.440 7.876 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.253 -9.275 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.852 -9.010 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.628 -10.610 7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.275 -9.349 6.593 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.624 -7.114 7.523 1.00 0.00 N ATOM 1073 CA LEU A 77 -8.937 -5.693 7.335 1.00 0.00 C ATOM 1074 C LEU A 77 -9.926 -5.218 8.396 1.00 0.00 C ATOM 1075 O LEU A 77 -10.285 -4.040 8.445 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.504 -5.418 5.935 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.483 -5.391 4.786 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -7.332 -4.447 5.105 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -7.963 -6.784 4.475 1.00 0.00 C ATOM 0 H LEU A 77 -9.000 -7.727 6.800 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.004 -5.138 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.252 -6.179 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.022 -4.459 5.957 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.995 -5.020 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.623 -4.445 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.719 -3.439 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.829 -4.780 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.243 -6.730 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.478 -7.197 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.794 -7.426 4.184 1.00 0.00 H new ATOM 1091 N ASP A 78 -10.359 -6.172 9.211 1.00 0.00 N ATOM 1092 CA ASP A 78 -11.207 -5.945 10.380 1.00 0.00 C ATOM 1093 C ASP A 78 -12.675 -5.907 9.999 1.00 0.00 C ATOM 1094 O ASP A 78 -13.347 -4.878 10.084 1.00 0.00 O ATOM 1095 CB ASP A 78 -10.805 -4.700 11.178 1.00 0.00 C ATOM 1096 CG ASP A 78 -11.485 -4.657 12.531 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -11.628 -5.730 13.162 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -11.851 -3.556 12.988 1.00 0.00 O ATOM 0 H ASP A 78 -10.124 -7.155 9.075 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.051 -6.797 11.042 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.724 -4.689 11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.065 -3.806 10.612 1.00 0.00 H new ATOM 1103 N ILE A 79 -13.151 -7.052 9.559 1.00 0.00 N ATOM 1104 CA ILE A 79 -14.560 -7.244 9.271 1.00 0.00 C ATOM 1105 C ILE A 79 -15.146 -8.164 10.340 1.00 0.00 C ATOM 1106 O ILE A 79 -14.400 -8.901 10.988 1.00 0.00 O ATOM 1107 CB ILE A 79 -14.765 -7.840 7.852 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.213 -6.882 6.789 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -16.235 -8.137 7.569 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -14.900 -5.531 6.764 1.00 0.00 C ATOM 0 H ILE A 79 -12.575 -7.876 9.390 1.00 0.00 H new ATOM 0 HA ILE A 79 -15.073 -6.282 9.288 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.219 -8.783 7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.148 -6.734 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.312 -7.347 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -16.336 -8.553 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.608 -8.856 8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.813 -7.215 7.639 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.454 -4.910 5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -15.961 -5.666 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -14.779 -5.043 7.731 1.00 0.00 H new ATOM 1122 N ASP A 80 -16.458 -8.092 10.549 1.00 0.00 N ATOM 1123 CA ASP A 80 -17.127 -8.899 11.573 1.00 0.00 C ATOM 1124 C ASP A 80 -16.799 -10.379 11.414 1.00 0.00 C ATOM 1125 O ASP A 80 -16.597 -11.082 12.402 1.00 0.00 O ATOM 1126 CB ASP A 80 -18.645 -8.711 11.506 1.00 0.00 C ATOM 1127 CG ASP A 80 -19.074 -7.287 11.784 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -19.021 -6.861 12.959 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -19.466 -6.589 10.830 1.00 0.00 O ATOM 0 H ASP A 80 -17.083 -7.482 10.022 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.761 -8.559 12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.999 -9.006 10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.121 -9.376 12.227 1.00 0.00 H new ATOM 1134 N SER A 81 -16.771 -10.836 10.161 1.00 0.00 N ATOM 1135 CA SER A 81 -16.468 -12.232 9.796 1.00 0.00 C ATOM 1136 C SER A 81 -17.391 -13.247 10.486 1.00 0.00 C ATOM 1137 O SER A 81 -17.170 -14.457 10.406 1.00 0.00 O ATOM 1138 CB SER A 81 -14.987 -12.574 10.042 1.00 0.00 C ATOM 1139 OG SER A 81 -14.590 -12.355 11.384 1.00 0.00 O ATOM 0 H SER A 81 -16.960 -10.242 9.354 1.00 0.00 H new ATOM 0 HA SER A 81 -16.662 -12.312 8.726 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.811 -13.618 9.781 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.365 -11.971 9.381 1.00 0.00 H new ATOM 0 HG SER A 81 -15.385 -12.250 11.947 1.00 0.00 H new ATOM 1145 N SER A 82 -18.441 -12.755 11.130 1.00 0.00 N ATOM 1146 CA SER A 82 -19.430 -13.617 11.752 1.00 0.00 C ATOM 1147 C SER A 82 -20.480 -14.002 10.712 1.00 0.00 C ATOM 1148 O SER A 82 -20.235 -13.866 9.516 1.00 0.00 O ATOM 1149 CB SER A 82 -20.071 -12.903 12.948 1.00 0.00 C ATOM 1150 OG SER A 82 -20.936 -13.767 13.669 1.00 0.00 O ATOM 0 H SER A 82 -18.628 -11.758 11.234 1.00 0.00 H new ATOM 0 HA SER A 82 -18.953 -14.524 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.290 -12.531 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.631 -12.036 12.598 1.00 0.00 H new ATOM 0 HG SER A 82 -21.836 -13.381 13.696 1.00 0.00 H new ATOM 1156 N LEU A 83 -21.638 -14.467 11.165 1.00 0.00 N ATOM 1157 CA LEU A 83 -22.690 -14.948 10.271 1.00 0.00 C ATOM 1158 C LEU A 83 -23.050 -13.890 9.226 1.00 0.00 C ATOM 1159 O LEU A 83 -23.216 -14.210 8.052 1.00 0.00 O ATOM 1160 CB LEU A 83 -23.929 -15.355 11.090 1.00 0.00 C ATOM 1161 CG LEU A 83 -25.030 -16.132 10.340 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -25.898 -15.206 9.504 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -24.426 -17.222 9.467 1.00 0.00 C ATOM 0 H LEU A 83 -21.876 -14.522 12.155 1.00 0.00 H new ATOM 0 HA LEU A 83 -22.319 -15.824 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.596 -15.963 11.931 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -24.374 -14.451 11.506 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.666 -16.600 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -26.662 -15.789 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -26.376 -14.472 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -25.279 -14.692 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -25.222 -17.756 8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -23.755 -16.772 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -23.868 -17.920 10.091 1.00 0.00 H new ATOM 1175 N SER A 84 -23.141 -12.637 9.657 1.00 0.00 N ATOM 1176 CA SER A 84 -23.533 -11.541 8.771 1.00 0.00 C ATOM 1177 C SER A 84 -22.579 -11.415 7.584 1.00 0.00 C ATOM 1178 O SER A 84 -23.015 -11.340 6.436 1.00 0.00 O ATOM 1179 CB SER A 84 -23.576 -10.218 9.549 1.00 0.00 C ATOM 1180 OG SER A 84 -24.101 -9.163 8.757 1.00 0.00 O ATOM 0 H SER A 84 -22.948 -12.352 10.617 1.00 0.00 H new ATOM 0 HA SER A 84 -24.527 -11.765 8.385 1.00 0.00 H new ATOM 0 HB2 SER A 84 -24.187 -10.341 10.443 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.571 -9.958 9.882 1.00 0.00 H new ATOM 0 HG SER A 84 -24.116 -8.336 9.282 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.282 -11.424 7.866 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.270 -11.215 6.836 1.00 0.00 C ATOM 1188 C ALA A 85 -20.218 -12.382 5.856 1.00 0.00 C ATOM 1189 O ALA A 85 -20.197 -12.189 4.642 1.00 0.00 O ATOM 1190 CB ALA A 85 -18.910 -11.012 7.480 1.00 0.00 C ATOM 0 H ALA A 85 -20.905 -11.574 8.802 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.542 -10.322 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.160 -10.857 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -18.943 -10.140 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.649 -11.894 8.065 1.00 0.00 H new ATOM 1196 N ARG A 86 -20.215 -13.588 6.397 1.00 0.00 N ATOM 1197 CA ARG A 86 -20.121 -14.792 5.586 1.00 0.00 C ATOM 1198 C ARG A 86 -21.356 -14.933 4.706 1.00 0.00 C ATOM 1199 O ARG A 86 -21.278 -15.416 3.575 1.00 0.00 O ATOM 1200 CB ARG A 86 -19.967 -16.018 6.492 1.00 0.00 C ATOM 1201 CG ARG A 86 -18.799 -15.904 7.459 1.00 0.00 C ATOM 1202 CD ARG A 86 -18.637 -17.152 8.316 1.00 0.00 C ATOM 1203 NE ARG A 86 -19.827 -17.446 9.115 1.00 0.00 N ATOM 1204 CZ ARG A 86 -19.838 -17.469 10.447 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -18.775 -17.057 11.129 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -20.923 -17.868 11.097 1.00 0.00 N ATOM 0 H ARG A 86 -20.277 -13.761 7.400 1.00 0.00 H new ATOM 0 HA ARG A 86 -19.245 -14.718 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -20.887 -16.161 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.833 -16.905 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -17.881 -15.729 6.898 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.948 -15.039 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.417 -18.004 7.672 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.781 -17.024 8.979 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.699 -17.645 8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.949 -16.722 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.785 -17.075 12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.751 -18.158 10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.929 -17.885 12.117 1.00 0.00 H new ATOM 1220 N LYS A 87 -22.490 -14.487 5.232 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.747 -14.563 4.512 1.00 0.00 C ATOM 1222 C LYS A 87 -23.755 -13.584 3.344 1.00 0.00 C ATOM 1223 O LYS A 87 -23.988 -13.976 2.205 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.924 -14.248 5.438 1.00 0.00 C ATOM 1225 CG LYS A 87 -26.275 -14.619 4.843 1.00 0.00 C ATOM 1226 CD LYS A 87 -27.391 -13.720 5.354 1.00 0.00 C ATOM 1227 CE LYS A 87 -27.518 -13.753 6.866 1.00 0.00 C ATOM 1228 NZ LYS A 87 -28.603 -12.856 7.340 1.00 0.00 N ATOM 0 H LYS A 87 -22.561 -14.068 6.159 1.00 0.00 H new ATOM 0 HA LYS A 87 -23.851 -15.580 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -24.790 -14.782 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.918 -13.183 5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -26.223 -14.550 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -26.505 -15.656 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -27.205 -12.696 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -28.336 -14.029 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -27.719 -14.773 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -26.573 -13.453 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -28.663 -12.902 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -28.398 -11.879 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -29.508 -13.158 6.927 1.00 0.00 H new ATOM 1242 N GLU A 88 -23.476 -12.312 3.633 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.618 -11.263 2.634 1.00 0.00 C ATOM 1244 C GLU A 88 -22.550 -11.348 1.545 1.00 0.00 C ATOM 1245 O GLU A 88 -22.851 -11.100 0.389 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.626 -9.867 3.274 1.00 0.00 C ATOM 1247 CG GLU A 88 -22.302 -9.420 3.883 1.00 0.00 C ATOM 1248 CD GLU A 88 -22.389 -8.017 4.455 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -23.489 -7.426 4.397 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -21.367 -7.496 4.961 1.00 0.00 O ATOM 0 H GLU A 88 -23.153 -11.989 4.545 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.585 -11.425 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -23.922 -9.141 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -24.390 -9.847 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.011 -10.116 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.522 -9.455 3.122 1.00 0.00 H new ATOM 1257 N LEU A 89 -21.320 -11.713 1.894 1.00 0.00 N ATOM 1258 CA LEU A 89 -20.250 -11.792 0.896 1.00 0.00 C ATOM 1259 C LEU A 89 -20.577 -12.848 -0.152 1.00 0.00 C ATOM 1260 O LEU A 89 -20.488 -12.592 -1.356 1.00 0.00 O ATOM 1261 CB LEU A 89 -18.897 -12.096 1.554 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.711 -12.222 0.590 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.568 -10.969 -0.261 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.428 -12.491 1.364 1.00 0.00 C ATOM 0 H LEU A 89 -21.039 -11.956 2.844 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.176 -10.821 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.677 -11.307 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.986 -13.025 2.117 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.900 -13.063 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.720 -11.083 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.478 -10.818 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.404 -10.107 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.594 -12.578 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.240 -11.668 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.530 -13.419 1.926 1.00 0.00 H new ATOM 1276 N ALA A 90 -20.984 -14.022 0.307 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.357 -15.096 -0.599 1.00 0.00 C ATOM 1278 C ALA A 90 -22.637 -14.740 -1.343 1.00 0.00 C ATOM 1279 O ALA A 90 -22.835 -15.133 -2.491 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.535 -16.397 0.168 1.00 0.00 C ATOM 0 H ALA A 90 -21.064 -14.254 1.297 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.557 -15.229 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.814 -17.192 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.600 -16.659 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.319 -16.274 0.915 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.487 -13.972 -0.679 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.783 -13.577 -1.216 1.00 0.00 C ATOM 1288 C LYS A 91 -24.617 -12.677 -2.436 1.00 0.00 C ATOM 1289 O LYS A 91 -25.283 -12.867 -3.454 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.578 -12.853 -0.129 1.00 0.00 C ATOM 1291 CG LYS A 91 -27.047 -12.651 -0.446 1.00 0.00 C ATOM 1292 CD LYS A 91 -27.757 -11.963 0.710 1.00 0.00 C ATOM 1293 CE LYS A 91 -27.359 -10.498 0.831 1.00 0.00 C ATOM 1294 NZ LYS A 91 -27.826 -9.694 -0.329 1.00 0.00 N ATOM 0 H LYS A 91 -23.297 -13.603 0.253 1.00 0.00 H new ATOM 0 HA LYS A 91 -25.322 -14.470 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -25.495 -13.418 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -25.121 -11.879 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -27.150 -12.052 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -27.517 -13.614 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -28.835 -12.036 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -27.522 -12.481 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -27.775 -10.084 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.275 -10.423 0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.009 -9.255 -0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -28.322 -10.312 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -28.475 -8.951 0.002 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.711 -11.714 -2.331 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.468 -10.759 -3.405 1.00 0.00 C ATOM 1310 C GLU A 92 -22.874 -11.464 -4.620 1.00 0.00 C ATOM 1311 O GLU A 92 -23.074 -11.047 -5.760 1.00 0.00 O ATOM 1312 CB GLU A 92 -22.507 -9.657 -2.943 1.00 0.00 C ATOM 1313 CG GLU A 92 -22.885 -8.981 -1.632 1.00 0.00 C ATOM 1314 CD GLU A 92 -24.287 -8.406 -1.618 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -24.737 -7.876 -2.656 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -24.939 -8.451 -0.553 1.00 0.00 O ATOM 0 H GLU A 92 -23.128 -11.573 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.424 -10.310 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.510 -10.085 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.448 -8.897 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.792 -9.704 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.173 -8.181 -1.429 1.00 0.00 H new ATOM 1323 N LEU A 93 -22.138 -12.537 -4.370 1.00 0.00 N ATOM 1324 CA LEU A 93 -21.485 -13.274 -5.438 1.00 0.00 C ATOM 1325 C LEU A 93 -22.417 -14.329 -6.032 1.00 0.00 C ATOM 1326 O LEU A 93 -22.169 -14.841 -7.121 1.00 0.00 O ATOM 1327 CB LEU A 93 -20.196 -13.917 -4.918 1.00 0.00 C ATOM 1328 CG LEU A 93 -19.141 -12.921 -4.423 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -17.923 -13.654 -3.891 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.740 -11.971 -5.540 1.00 0.00 C ATOM 0 H LEU A 93 -21.979 -12.915 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.232 -12.574 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -20.447 -14.595 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -19.761 -14.522 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.575 -12.338 -3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -17.185 -12.930 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -18.219 -14.297 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -17.489 -14.262 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.990 -11.271 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -18.326 -12.541 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -19.616 -11.419 -5.880 1.00 0.00 H new ATOM 1342 N GLY A 94 -23.488 -14.646 -5.316 1.00 0.00 N ATOM 1343 CA GLY A 94 -24.472 -15.579 -5.830 1.00 0.00 C ATOM 1344 C GLY A 94 -24.751 -16.710 -4.866 1.00 0.00 C ATOM 1345 O GLY A 94 -25.902 -17.133 -4.717 1.00 0.00 O ATOM 0 H GLY A 94 -23.693 -14.274 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -25.400 -15.046 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -24.120 -15.990 -6.776 1.00 0.00 H new ATOM 1349 N TYR A 95 -23.693 -17.174 -4.205 1.00 0.00 N ATOM 1350 CA TYR A 95 -23.761 -18.295 -3.265 1.00 0.00 C ATOM 1351 C TYR A 95 -23.977 -19.615 -4.001 1.00 0.00 C ATOM 1352 O TYR A 95 -25.043 -19.871 -4.559 1.00 0.00 O ATOM 1353 CB TYR A 95 -24.858 -18.087 -2.205 1.00 0.00 C ATOM 1354 CG TYR A 95 -24.909 -19.190 -1.164 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -25.651 -20.346 -1.378 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -24.216 -19.072 0.034 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -25.694 -21.356 -0.433 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -24.253 -20.077 0.984 1.00 0.00 C ATOM 1359 CZ TYR A 95 -24.996 -21.215 0.750 1.00 0.00 C ATOM 1360 OH TYR A 95 -25.034 -22.216 1.698 1.00 0.00 O ATOM 0 H TYR A 95 -22.757 -16.781 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 95 -22.802 -18.338 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -24.693 -17.133 -1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -25.826 -18.022 -2.703 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -26.204 -20.458 -2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -23.638 -18.180 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -26.271 -22.250 -0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -23.701 -19.971 1.906 1.00 0.00 H new ATOM 0 HH TYR A 95 -24.488 -21.957 2.469 1.00 0.00 H new ATOM 1454 N ALA A 103 -15.443 -26.736 2.765 1.00 0.00 N ATOM 1455 CA ALA A 103 -14.032 -26.848 2.412 1.00 0.00 C ATOM 1456 C ALA A 103 -13.726 -26.102 1.117 1.00 0.00 C ATOM 1457 O ALA A 103 -12.965 -25.131 1.109 1.00 0.00 O ATOM 1458 CB ALA A 103 -13.644 -28.314 2.279 1.00 0.00 C ATOM 0 HA ALA A 103 -13.445 -26.392 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.589 -28.389 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.818 -28.824 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.247 -28.781 1.500 1.00 0.00 H new ATOM 1464 N SER A 104 -14.344 -26.542 0.029 1.00 0.00 N ATOM 1465 CA SER A 104 -14.129 -25.923 -1.270 1.00 0.00 C ATOM 1466 C SER A 104 -14.854 -24.583 -1.362 1.00 0.00 C ATOM 1467 O SER A 104 -14.679 -23.837 -2.325 1.00 0.00 O ATOM 1468 CB SER A 104 -14.604 -26.863 -2.375 1.00 0.00 C ATOM 1469 OG SER A 104 -13.976 -28.130 -2.265 1.00 0.00 O ATOM 0 H SER A 104 -14.998 -27.325 0.021 1.00 0.00 H new ATOM 0 HA SER A 104 -13.062 -25.736 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.686 -26.982 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.384 -26.427 -3.349 1.00 0.00 H new ATOM 0 HG SER A 104 -14.296 -28.717 -2.982 1.00 0.00 H new ATOM 1475 N MET A 105 -15.658 -24.277 -0.349 1.00 0.00 N ATOM 1476 CA MET A 105 -16.404 -23.027 -0.322 1.00 0.00 C ATOM 1477 C MET A 105 -15.478 -21.859 0.010 1.00 0.00 C ATOM 1478 O MET A 105 -15.709 -20.738 -0.427 1.00 0.00 O ATOM 1479 CB MET A 105 -17.551 -23.105 0.688 1.00 0.00 C ATOM 1480 CG MET A 105 -18.441 -21.874 0.697 1.00 0.00 C ATOM 1481 SD MET A 105 -19.810 -22.010 1.863 1.00 0.00 S ATOM 1482 CE MET A 105 -20.647 -20.452 1.585 1.00 0.00 C ATOM 0 H MET A 105 -15.809 -24.877 0.462 1.00 0.00 H new ATOM 0 HA MET A 105 -16.829 -22.860 -1.312 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.160 -23.981 0.466 1.00 0.00 H new ATOM 0 HB3 MET A 105 -17.136 -23.250 1.685 1.00 0.00 H new ATOM 0 HG2 MET A 105 -17.841 -20.999 0.948 1.00 0.00 H new ATOM 0 HG3 MET A 105 -18.838 -21.711 -0.305 1.00 0.00 H new ATOM 0 HE1 MET A 105 -21.519 -20.386 2.236 1.00 0.00 H new ATOM 0 HE2 MET A 105 -19.967 -19.629 1.805 1.00 0.00 H new ATOM 0 HE3 MET A 105 -20.965 -20.391 0.544 1.00 0.00 H new ATOM 1492 N ASN A 106 -14.426 -22.128 0.777 1.00 0.00 N ATOM 1493 CA ASN A 106 -13.408 -21.115 1.065 1.00 0.00 C ATOM 1494 C ASN A 106 -12.592 -20.835 -0.194 1.00 0.00 C ATOM 1495 O ASN A 106 -12.176 -19.707 -0.452 1.00 0.00 O ATOM 1496 CB ASN A 106 -12.486 -21.590 2.199 1.00 0.00 C ATOM 1497 CG ASN A 106 -11.370 -20.607 2.531 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -11.528 -19.388 2.414 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -10.227 -21.133 2.952 1.00 0.00 N ATOM 0 H ASN A 106 -14.253 -23.035 1.211 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.902 -20.197 1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.084 -21.763 3.094 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.045 -22.547 1.920 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.443 -20.525 3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.132 -22.145 3.037 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.402 -21.881 -0.983 1.00 0.00 N ATOM 1507 CA ILE A 107 -11.635 -21.809 -2.217 1.00 0.00 C ATOM 1508 C ILE A 107 -12.395 -21.021 -3.289 1.00 0.00 C ATOM 1509 O ILE A 107 -11.887 -20.040 -3.830 1.00 0.00 O ATOM 1510 CB ILE A 107 -11.320 -23.228 -2.737 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -10.618 -24.042 -1.648 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.462 -23.163 -3.988 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -10.387 -25.493 -2.018 1.00 0.00 C ATOM 0 H ILE A 107 -12.777 -22.808 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.700 -21.291 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 107 -12.258 -23.720 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.658 -23.577 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.214 -24.000 -0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.252 -24.174 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.993 -22.613 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.525 -22.655 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.885 -26.003 -1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -11.345 -25.975 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.765 -25.546 -2.911 1.00 0.00 H new ATOM 1525 N TRP A 108 -13.617 -21.464 -3.581 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.484 -20.807 -4.562 1.00 0.00 C ATOM 1527 C TRP A 108 -14.702 -19.331 -4.231 1.00 0.00 C ATOM 1528 O TRP A 108 -14.508 -18.461 -5.082 1.00 0.00 O ATOM 1529 CB TRP A 108 -15.837 -21.531 -4.629 1.00 0.00 C ATOM 1530 CG TRP A 108 -16.878 -20.807 -5.440 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -16.995 -20.785 -6.799 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -17.953 -20.000 -4.933 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -18.072 -20.012 -7.168 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.676 -19.520 -6.042 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -18.373 -19.638 -3.649 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.793 -18.699 -5.902 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -19.480 -18.821 -3.515 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -20.178 -18.359 -4.635 1.00 0.00 C ATOM 0 H TRP A 108 -14.035 -22.287 -3.146 1.00 0.00 H new ATOM 0 HA TRP A 108 -13.988 -20.860 -5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -15.686 -22.524 -5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -16.213 -21.671 -3.616 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -16.338 -21.299 -7.485 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -18.372 -19.834 -8.126 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -17.842 -19.991 -2.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -20.336 -18.343 -6.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.812 -18.535 -2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -21.038 -17.721 -4.496 1.00 0.00 H new ATOM 1549 N LEU A 109 -15.097 -19.061 -2.993 1.00 0.00 N ATOM 1550 CA LEU A 109 -15.409 -17.706 -2.559 1.00 0.00 C ATOM 1551 C LEU A 109 -14.191 -16.806 -2.717 1.00 0.00 C ATOM 1552 O LEU A 109 -14.294 -15.685 -3.210 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.873 -17.719 -1.102 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.470 -16.405 -0.592 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.753 -16.075 -1.335 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.726 -16.473 0.905 1.00 0.00 C ATOM 0 H LEU A 109 -15.209 -19.769 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 109 -16.212 -17.313 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.616 -18.507 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -15.025 -17.982 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.748 -15.610 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -18.161 -15.137 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.542 -15.976 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.478 -16.874 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -17.150 -15.528 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -17.425 -17.282 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.787 -16.658 1.427 1.00 0.00 H new ATOM 1568 N HIS A 110 -13.034 -17.325 -2.324 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.780 -16.592 -2.429 1.00 0.00 C ATOM 1570 C HIS A 110 -11.533 -16.141 -3.865 1.00 0.00 C ATOM 1571 O HIS A 110 -11.195 -14.987 -4.112 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.620 -17.471 -1.943 1.00 0.00 C ATOM 1573 CG HIS A 110 -9.271 -16.818 -2.010 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -8.276 -17.232 -2.870 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.743 -15.790 -1.300 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -7.198 -16.491 -2.686 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.455 -15.607 -1.741 1.00 0.00 N ATOM 0 H HIS A 110 -12.939 -18.259 -1.926 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.845 -15.704 -1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.814 -17.769 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.598 -18.383 -2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.243 -15.221 -0.530 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.264 -16.592 -3.219 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.804 -14.903 -1.394 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.735 -17.052 -4.807 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.440 -16.786 -6.209 1.00 0.00 C ATOM 1588 C LYS A 111 -12.450 -15.831 -6.827 1.00 0.00 C ATOM 1589 O LYS A 111 -12.091 -14.985 -7.652 1.00 0.00 O ATOM 1590 CB LYS A 111 -11.386 -18.097 -6.995 1.00 0.00 C ATOM 1591 CG LYS A 111 -10.233 -18.982 -6.561 1.00 0.00 C ATOM 1592 CD LYS A 111 -10.032 -20.175 -7.479 1.00 0.00 C ATOM 1593 CE LYS A 111 -11.001 -21.304 -7.178 1.00 0.00 C ATOM 1594 NZ LYS A 111 -10.526 -22.587 -7.759 1.00 0.00 N ATOM 0 H LYS A 111 -12.103 -17.986 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.464 -16.302 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.324 -18.636 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.292 -17.877 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.317 -18.391 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.414 -19.336 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.157 -19.859 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.010 -20.540 -7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.116 -21.410 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.984 -21.061 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.207 -23.341 -7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.439 -22.490 -8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.599 -22.829 -7.355 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.702 -15.950 -6.415 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.755 -15.094 -6.934 1.00 0.00 C ATOM 1610 C GLN A 112 -14.529 -13.654 -6.480 1.00 0.00 C ATOM 1611 O GLN A 112 -14.761 -12.707 -7.235 1.00 0.00 O ATOM 1612 CB GLN A 112 -16.121 -15.602 -6.467 1.00 0.00 C ATOM 1613 CG GLN A 112 -17.289 -15.045 -7.265 1.00 0.00 C ATOM 1614 CD GLN A 112 -17.228 -15.425 -8.734 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -17.708 -14.688 -9.594 1.00 0.00 O ATOM 1616 NE2 GLN A 112 -16.641 -16.577 -9.028 1.00 0.00 N ATOM 0 H GLN A 112 -14.013 -16.631 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.733 -15.119 -8.023 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -16.135 -16.690 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -16.255 -15.343 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -18.223 -15.410 -6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -17.300 -13.959 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -16.256 -17.158 -8.283 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -16.574 -16.882 -9.999 1.00 0.00 H new ATOM 1625 N VAL A 113 -14.062 -13.503 -5.246 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.717 -12.194 -4.709 1.00 0.00 C ATOM 1627 C VAL A 113 -12.503 -11.601 -5.430 1.00 0.00 C ATOM 1628 O VAL A 113 -12.450 -10.395 -5.669 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.431 -12.266 -3.193 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -12.946 -10.926 -2.657 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -14.672 -12.708 -2.437 1.00 0.00 C ATOM 0 H VAL A 113 -13.913 -14.275 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.578 -11.546 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.641 -13.001 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.754 -11.010 -1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.028 -10.640 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.709 -10.167 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.452 -12.753 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.478 -11.995 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.979 -13.694 -2.786 1.00 0.00 H new ATOM 1641 N MET A 114 -11.542 -12.450 -5.799 1.00 0.00 N ATOM 1642 CA MET A 114 -10.318 -11.983 -6.462 1.00 0.00 C ATOM 1643 C MET A 114 -10.641 -11.286 -7.777 1.00 0.00 C ATOM 1644 O MET A 114 -9.984 -10.315 -8.148 1.00 0.00 O ATOM 1645 CB MET A 114 -9.343 -13.136 -6.734 1.00 0.00 C ATOM 1646 CG MET A 114 -8.856 -13.845 -5.482 1.00 0.00 C ATOM 1647 SD MET A 114 -7.548 -15.042 -5.815 1.00 0.00 S ATOM 1648 CE MET A 114 -8.236 -15.949 -7.197 1.00 0.00 C ATOM 0 H MET A 114 -11.584 -13.458 -5.652 1.00 0.00 H new ATOM 0 HA MET A 114 -9.844 -11.276 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 114 -9.829 -13.863 -7.384 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.481 -12.748 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.491 -13.105 -4.770 1.00 0.00 H new ATOM 0 HG3 MET A 114 -9.696 -14.354 -5.009 1.00 0.00 H new ATOM 0 HE1 MET A 114 -7.826 -16.959 -7.210 1.00 0.00 H new ATOM 0 HE2 MET A 114 -9.320 -15.999 -7.096 1.00 0.00 H new ATOM 0 HE3 MET A 114 -7.981 -15.442 -8.128 1.00 0.00 H new ATOM 1658 N SER A 115 -11.678 -11.768 -8.458 1.00 0.00 N ATOM 1659 CA SER A 115 -12.084 -11.212 -9.745 1.00 0.00 C ATOM 1660 C SER A 115 -12.561 -9.763 -9.595 1.00 0.00 C ATOM 1661 O SER A 115 -12.736 -9.045 -10.582 1.00 0.00 O ATOM 1662 CB SER A 115 -13.188 -12.082 -10.360 1.00 0.00 C ATOM 1663 OG SER A 115 -13.460 -11.707 -11.702 1.00 0.00 O ATOM 0 H SER A 115 -12.254 -12.546 -8.137 1.00 0.00 H new ATOM 0 HA SER A 115 -11.220 -11.209 -10.409 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.888 -13.129 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.097 -11.993 -9.765 1.00 0.00 H new ATOM 0 HG SER A 115 -13.451 -10.730 -11.777 1.00 0.00 H new ATOM 1669 N LYS A 116 -12.768 -9.336 -8.356 1.00 0.00 N ATOM 1670 CA LYS A 116 -13.177 -7.974 -8.073 1.00 0.00 C ATOM 1671 C LYS A 116 -11.993 -7.206 -7.490 1.00 0.00 C ATOM 1672 O LYS A 116 -11.477 -6.279 -8.102 1.00 0.00 O ATOM 1673 CB LYS A 116 -14.329 -7.962 -7.058 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.301 -9.129 -7.181 1.00 0.00 C ATOM 1675 CD LYS A 116 -16.140 -9.057 -8.447 1.00 0.00 C ATOM 1676 CE LYS A 116 -17.096 -10.240 -8.533 1.00 0.00 C ATOM 1677 NZ LYS A 116 -18.029 -10.125 -9.683 1.00 0.00 N ATOM 0 H LYS A 116 -12.657 -9.921 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.512 -7.506 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.909 -7.962 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.885 -7.031 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.743 -10.065 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.960 -9.142 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.706 -8.125 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.488 -9.047 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.523 -11.163 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.669 -10.310 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.660 -10.951 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.596 -9.259 -9.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.485 -10.085 -10.569 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.545 -7.670 -6.326 1.00 0.00 N ATOM 1692 CA LEU A 117 -10.564 -6.982 -5.490 1.00 0.00 C ATOM 1693 C LEU A 117 -9.320 -6.563 -6.275 1.00 0.00 C ATOM 1694 O LEU A 117 -9.101 -5.377 -6.504 1.00 0.00 O ATOM 1695 CB LEU A 117 -10.185 -7.900 -4.316 1.00 0.00 C ATOM 1696 CG LEU A 117 -9.586 -7.221 -3.074 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -8.135 -6.823 -3.292 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -10.415 -6.009 -2.679 1.00 0.00 C ATOM 0 H LEU A 117 -11.861 -8.555 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 117 -11.014 -6.062 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.077 -8.445 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.470 -8.638 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 117 -9.609 -7.946 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -7.749 -6.346 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.544 -7.711 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.071 -6.126 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.977 -5.540 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.429 -5.294 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.434 -6.323 -2.454 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.514 -7.532 -6.702 1.00 0.00 N ATOM 1711 CA VAL A 118 -7.253 -7.216 -7.371 1.00 0.00 C ATOM 1712 C VAL A 118 -7.492 -6.610 -8.751 1.00 0.00 C ATOM 1713 O VAL A 118 -6.601 -5.988 -9.328 1.00 0.00 O ATOM 1714 CB VAL A 118 -6.324 -8.446 -7.492 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -5.889 -8.920 -6.114 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -6.997 -9.571 -8.262 1.00 0.00 C ATOM 0 H VAL A 118 -8.706 -8.528 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.752 -6.480 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.438 -8.146 -8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.236 -9.786 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.352 -8.119 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.767 -9.195 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.319 -10.422 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.907 -9.873 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -7.248 -9.226 -9.265 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.711 -6.760 -9.257 1.00 0.00 N ATOM 1727 CA ALA A 119 -9.085 -6.182 -10.539 1.00 0.00 C ATOM 1728 C ALA A 119 -9.282 -4.675 -10.409 1.00 0.00 C ATOM 1729 O ALA A 119 -9.407 -3.967 -11.407 1.00 0.00 O ATOM 1730 CB ALA A 119 -10.347 -6.841 -11.076 1.00 0.00 C ATOM 0 H ALA A 119 -9.458 -7.279 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.276 -6.364 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.610 -6.395 -12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.172 -7.909 -11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.164 -6.692 -10.370 1.00 0.00 H new ATOM 1736 N ASN A 120 -9.304 -4.184 -9.166 1.00 0.00 N ATOM 1737 CA ASN A 120 -9.386 -2.741 -8.909 1.00 0.00 C ATOM 1738 C ASN A 120 -8.052 -2.050 -9.202 1.00 0.00 C ATOM 1739 O ASN A 120 -7.939 -0.826 -9.100 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.809 -2.444 -7.458 1.00 0.00 C ATOM 1741 CG ASN A 120 -11.288 -2.685 -7.192 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -11.915 -1.973 -6.406 1.00 0.00 O ATOM 1743 ND2 ASN A 120 -11.853 -3.689 -7.833 1.00 0.00 N ATOM 0 H ASN A 120 -9.266 -4.760 -8.325 1.00 0.00 H new ATOM 0 HA ASN A 120 -10.148 -2.346 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -9.221 -3.066 -6.783 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.571 -1.406 -7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -12.841 -3.897 -7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -11.303 -4.257 -8.477 1.00 0.00 H new ATOM 1750 N GLY A 121 -7.044 -2.835 -9.571 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.744 -2.272 -9.895 1.00 0.00 C ATOM 1752 C GLY A 121 -4.667 -2.719 -8.928 1.00 0.00 C ATOM 1753 O GLY A 121 -3.649 -2.046 -8.760 1.00 0.00 O ATOM 0 H GLY A 121 -7.103 -3.850 -9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.465 -2.566 -10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.809 -1.184 -9.885 1.00 0.00 H new ATOM 1757 N GLY A 122 -4.897 -3.851 -8.281 1.00 0.00 N ATOM 1758 CA GLY A 122 -3.939 -4.362 -7.325 1.00 0.00 C ATOM 1759 C GLY A 122 -2.956 -5.327 -7.953 1.00 0.00 C ATOM 1760 O GLY A 122 -3.303 -6.076 -8.866 1.00 0.00 O ATOM 0 H GLY A 122 -5.731 -4.425 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.393 -3.529 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.470 -4.863 -6.516 1.00 0.00 H new ATOM 1764 N LYS A 123 -1.727 -5.295 -7.472 1.00 0.00 N ATOM 1765 CA LYS A 123 -0.692 -6.196 -7.944 1.00 0.00 C ATOM 1766 C LYS A 123 -0.426 -7.263 -6.889 1.00 0.00 C ATOM 1767 O LYS A 123 -0.312 -6.959 -5.700 1.00 0.00 O ATOM 1768 CB LYS A 123 0.583 -5.408 -8.268 1.00 0.00 C ATOM 1769 CG LYS A 123 1.740 -6.271 -8.758 1.00 0.00 C ATOM 1770 CD LYS A 123 2.771 -6.500 -7.661 1.00 0.00 C ATOM 1771 CE LYS A 123 3.510 -5.216 -7.320 1.00 0.00 C ATOM 1772 NZ LYS A 123 4.465 -5.399 -6.197 1.00 0.00 N ATOM 0 H LYS A 123 -1.419 -4.647 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.024 -6.689 -8.858 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.353 -4.662 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.899 -4.867 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.357 -7.231 -9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.217 -5.790 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.277 -6.885 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.485 -7.258 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.049 -4.865 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.788 -4.442 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.933 -4.494 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 3.951 -5.725 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.180 -6.106 -6.461 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.340 -8.509 -7.330 1.00 0.00 N ATOM 1787 CA LEU A 124 -0.171 -9.629 -6.424 1.00 0.00 C ATOM 1788 C LEU A 124 0.926 -10.573 -6.918 1.00 0.00 C ATOM 1789 O LEU A 124 1.201 -10.639 -8.118 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.512 -10.382 -6.182 1.00 0.00 C ATOM 1791 CG LEU A 124 -2.358 -10.852 -7.402 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -2.872 -9.688 -8.240 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.601 -11.840 -8.279 1.00 0.00 C ATOM 0 H LEU A 124 -0.385 -8.768 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 124 0.146 -9.229 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.288 -11.263 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.145 -9.735 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.223 -11.365 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.455 -10.072 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.501 -9.046 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.028 -9.112 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.231 -12.140 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.693 -11.370 -8.657 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.336 -12.719 -7.692 1.00 0.00 H new ATOM 1805 N PRO A 125 1.603 -11.270 -5.988 1.00 0.00 N ATOM 1806 CA PRO A 125 2.596 -12.298 -6.324 1.00 0.00 C ATOM 1807 C PRO A 125 1.953 -13.518 -6.985 1.00 0.00 C ATOM 1808 O PRO A 125 0.737 -13.709 -6.895 1.00 0.00 O ATOM 1809 CB PRO A 125 3.201 -12.687 -4.964 1.00 0.00 C ATOM 1810 CG PRO A 125 2.796 -11.603 -4.026 1.00 0.00 C ATOM 1811 CD PRO A 125 1.482 -11.089 -4.535 1.00 0.00 C ATOM 0 HA PRO A 125 3.334 -11.931 -7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.827 -13.655 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.286 -12.768 -5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.699 -11.983 -3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.543 -10.809 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.642 -11.651 -4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.326 -10.043 -4.269 1.00 0.00 H new ATOM 1819 N PRO A 126 2.760 -14.377 -7.636 1.00 0.00 N ATOM 1820 CA PRO A 126 2.264 -15.573 -8.341 1.00 0.00 C ATOM 1821 C PRO A 126 1.781 -16.676 -7.393 1.00 0.00 C ATOM 1822 O PRO A 126 1.810 -17.859 -7.734 1.00 0.00 O ATOM 1823 CB PRO A 126 3.490 -16.049 -9.125 1.00 0.00 C ATOM 1824 CG PRO A 126 4.652 -15.561 -8.334 1.00 0.00 C ATOM 1825 CD PRO A 126 4.226 -14.245 -7.747 1.00 0.00 C ATOM 0 HA PRO A 126 1.396 -15.341 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.503 -17.135 -9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 126 3.498 -15.640 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.917 -16.271 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 126 5.532 -15.440 -8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.688 -14.070 -6.775 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.507 -13.410 -8.388 1.00 0.00 H new