USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 86 THR OG1 : rot -47:sc= -1.07! USER MOD Set 1.2: A 100 LYS NZ :NH3+ -106:sc= -0.28 (180deg=-4.55!) USER MOD Set 2.1: A 61 HIS : no HD1:sc= -1.75! K(o=-0.28!,f=-2.2) USER MOD Set 2.2: A 74 THR OG1 : rot 121:sc= 1.47 USER MOD Set 3.1: A 67 SER OG : rot 52:sc= 0.594 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.604 X(o=1.2,f=0.86) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -124:sc= 0.12 (180deg=-4.05!) USER MOD Set 4.2: A 63 GLN : amide:sc= -0.553 K(o=-0.43,f=-14!) USER MOD Set 5.1: A 57 LYS NZ :NH3+ 169:sc= -2.93! (180deg=-2.03!) USER MOD Set 5.2: A 88 TYR OH : rot 154:sc= -0.943! USER MOD Set 6.1: A 28 THR OG1 : rot -42:sc= 0.811 USER MOD Set 6.2: A 75 THR OG1 : rot -19:sc= 1.53 USER MOD Set 7.1: A 22 THR OG1 : rot 180:sc= 0.785 USER MOD Set 7.2: A 102 THR OG1 : rot 135:sc= -0.629 USER MOD Set 8.1: A 6 LYS NZ :NH3+ 179:sc= 0.69 (180deg=0.693) USER MOD Set 8.2: A 34 ASN : amide:sc= -3.08! C(o=-1.5!,f=-11!) USER MOD Set 8.3: A 35 LYS NZ :NH3+ -137:sc= 0.859! (180deg=-0.824) USER MOD Set 9.1: A 1 GLU N :NH3+ -126:sc= -5.34! (180deg=-12.5!) USER MOD Set 9.2: A 3 TYR OH : rot -140:sc= -0.0714 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 111:sc= -1.85 USER MOD Single : A 11 LYS NZ :NH3+ 130:sc= -1.86! (180deg=-3.42!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 1.09 (180deg=-1.02!) USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= -2.12! (180deg=-6.32!) USER MOD Single : A 33 ASN :FLIP amide:sc= -2.68 F(o=-4.6!,f=-2.7) USER MOD Single : A 40 ASN : amide:sc= -5.89! C(o=-5.9!,f=-6.5!) USER MOD Single : A 48 ASN : amide:sc= -12.1! C(o=-12!,f=-17!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 131:sc= 0.795 USER MOD Single : A 58 SER OG : rot 119:sc= 1.22 USER MOD Single : A 60 SER OG : rot 32:sc= 1.45 USER MOD Single : A 66 MET CE :methyl -166:sc= -0.146 (180deg=-0.799) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -82:sc= 0.428 USER MOD Single : A 85 TYR OH : rot 4:sc= 0.98 USER MOD Single : A 97 MET CE :methyl -165:sc= -0.846 (180deg=-1.99) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.332 -7.211 -12.637 1.00 0.00 N ATOM 2 CA GLU A 1 -3.158 -5.788 -12.281 1.00 0.00 C ATOM 3 C GLU A 1 -2.870 -4.828 -13.468 1.00 0.00 C ATOM 4 O GLU A 1 -2.329 -3.774 -13.271 1.00 0.00 O ATOM 5 CB GLU A 1 -2.012 -5.667 -11.231 1.00 0.00 C ATOM 6 CG GLU A 1 -0.576 -5.910 -11.856 1.00 0.00 C ATOM 7 CD GLU A 1 -0.102 -7.348 -11.848 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.938 -8.205 -11.673 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.078 -7.499 -12.036 1.00 0.00 O ATOM 0 H1 GLU A 1 -4.238 -7.555 -12.259 1.00 0.00 H new ATOM 0 H2 GLU A 1 -3.328 -7.313 -13.672 1.00 0.00 H new ATOM 0 H3 GLU A 1 -2.553 -7.768 -12.231 1.00 0.00 H new ATOM 0 HA GLU A 1 -4.121 -5.467 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -2.043 -4.676 -10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -2.181 -6.388 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.581 -5.552 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.147 -5.303 -11.311 1.00 0.00 H new ATOM 18 N THR A 2 -3.256 -5.157 -14.664 1.00 0.00 N ATOM 19 CA THR A 2 -3.018 -4.282 -15.912 1.00 0.00 C ATOM 20 C THR A 2 -3.913 -3.023 -15.999 1.00 0.00 C ATOM 21 O THR A 2 -4.374 -2.584 -17.030 1.00 0.00 O ATOM 22 CB THR A 2 -3.271 -5.143 -17.152 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.412 -6.239 -16.922 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.596 -4.613 -18.383 1.00 0.00 C ATOM 0 H THR A 2 -3.749 -6.026 -14.867 1.00 0.00 H new ATOM 0 HA THR A 2 -1.992 -3.921 -15.846 1.00 0.00 H new ATOM 0 HB THR A 2 -4.346 -5.265 -17.286 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.487 -6.875 -17.664 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.814 -5.267 -19.227 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.965 -3.610 -18.597 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.519 -4.577 -18.220 1.00 0.00 H new ATOM 32 N TYR A 3 -4.137 -2.491 -14.845 1.00 0.00 N ATOM 33 CA TYR A 3 -4.976 -1.267 -14.611 1.00 0.00 C ATOM 34 C TYR A 3 -4.203 -0.099 -13.898 1.00 0.00 C ATOM 35 O TYR A 3 -3.031 -0.223 -13.600 1.00 0.00 O ATOM 36 CB TYR A 3 -6.257 -1.756 -13.771 1.00 0.00 C ATOM 37 CG TYR A 3 -6.277 -3.286 -13.495 1.00 0.00 C ATOM 38 CD1 TYR A 3 -6.227 -4.228 -14.509 1.00 0.00 C ATOM 39 CD2 TYR A 3 -6.316 -3.736 -12.198 1.00 0.00 C ATOM 40 CE1 TYR A 3 -6.207 -5.584 -14.224 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.297 -5.089 -11.923 1.00 0.00 C ATOM 42 CZ TYR A 3 -6.238 -6.011 -12.927 1.00 0.00 C ATOM 43 OH TYR A 3 -6.171 -7.344 -12.600 1.00 0.00 O ATOM 0 H TYR A 3 -3.749 -2.875 -13.984 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.271 -0.830 -15.565 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.281 -1.224 -12.820 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.162 -1.482 -14.313 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.203 -3.901 -15.538 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.362 -3.025 -11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.167 -6.304 -15.028 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.329 -5.423 -10.896 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.787 -7.531 -11.861 1.00 0.00 H new ATOM 53 N THR A 4 -4.852 1.002 -13.626 1.00 0.00 N ATOM 54 CA THR A 4 -4.139 2.163 -12.932 1.00 0.00 C ATOM 55 C THR A 4 -4.612 2.541 -11.503 1.00 0.00 C ATOM 56 O THR A 4 -5.790 2.534 -11.200 1.00 0.00 O ATOM 57 CB THR A 4 -4.254 3.423 -13.826 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.645 4.453 -13.074 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.673 3.956 -13.957 1.00 0.00 C ATOM 0 H THR A 4 -5.835 1.166 -13.844 1.00 0.00 H new ATOM 0 HA THR A 4 -3.119 1.804 -12.799 1.00 0.00 H new ATOM 0 HB THR A 4 -3.845 3.169 -14.804 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.678 5.291 -13.581 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.673 4.838 -14.597 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.311 3.189 -14.396 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.054 4.223 -12.971 1.00 0.00 H new ATOM 67 N VAL A 5 -3.658 2.853 -10.672 1.00 0.00 N ATOM 68 CA VAL A 5 -3.874 3.258 -9.237 1.00 0.00 C ATOM 69 C VAL A 5 -3.448 4.733 -8.971 1.00 0.00 C ATOM 70 O VAL A 5 -2.522 5.266 -9.555 1.00 0.00 O ATOM 71 CB VAL A 5 -3.053 2.295 -8.333 1.00 0.00 C ATOM 72 CG1 VAL A 5 -3.313 2.617 -6.843 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.494 0.842 -8.563 1.00 0.00 C ATOM 0 H VAL A 5 -2.674 2.845 -10.940 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.938 3.192 -9.011 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.999 2.422 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.734 1.938 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.015 3.645 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.374 2.496 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.911 0.179 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.552 0.740 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.332 0.574 -9.607 1.00 0.00 H new ATOM 83 N LYS A 6 -4.124 5.370 -8.064 1.00 0.00 N ATOM 84 CA LYS A 6 -3.841 6.803 -7.696 1.00 0.00 C ATOM 85 C LYS A 6 -3.303 7.079 -6.253 1.00 0.00 C ATOM 86 O LYS A 6 -3.986 6.780 -5.292 1.00 0.00 O ATOM 87 CB LYS A 6 -5.196 7.490 -7.995 1.00 0.00 C ATOM 88 CG LYS A 6 -5.313 8.938 -7.469 1.00 0.00 C ATOM 89 CD LYS A 6 -6.825 9.323 -7.635 1.00 0.00 C ATOM 90 CE LYS A 6 -7.139 10.687 -7.068 1.00 0.00 C ATOM 91 NZ LYS A 6 -6.473 11.686 -7.949 1.00 0.00 N ATOM 0 H LYS A 6 -4.891 4.951 -7.537 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.997 7.192 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.356 7.495 -9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.996 6.893 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.004 9.003 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.671 9.614 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.088 9.303 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.444 8.575 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.216 10.855 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.776 10.772 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.678 12.645 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.445 11.527 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.830 11.585 -8.921 1.00 0.00 H new ATOM 105 N LEU A 7 -2.120 7.632 -6.131 1.00 0.00 N ATOM 106 CA LEU A 7 -1.546 7.940 -4.768 1.00 0.00 C ATOM 107 C LEU A 7 -1.465 9.485 -4.612 1.00 0.00 C ATOM 108 O LEU A 7 -0.771 10.203 -5.314 1.00 0.00 O ATOM 109 CB LEU A 7 -0.117 7.289 -4.615 1.00 0.00 C ATOM 110 CG LEU A 7 0.772 7.466 -5.843 1.00 0.00 C ATOM 111 CD1 LEU A 7 2.225 7.467 -5.397 1.00 0.00 C ATOM 112 CD2 LEU A 7 0.617 6.244 -6.749 1.00 0.00 C ATOM 0 H LEU A 7 -1.520 7.887 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.185 7.523 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.381 7.727 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.232 6.224 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 7 0.497 8.389 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.872 7.593 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.391 8.288 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.456 6.521 -4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.249 6.361 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.915 5.348 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.424 6.151 -7.059 1.00 0.00 H new ATOM 124 N GLY A 8 -2.230 9.963 -3.668 1.00 0.00 N ATOM 125 CA GLY A 8 -2.303 11.444 -3.361 1.00 0.00 C ATOM 126 C GLY A 8 -3.649 11.902 -3.914 1.00 0.00 C ATOM 127 O GLY A 8 -3.864 11.835 -5.109 1.00 0.00 O ATOM 0 H GLY A 8 -2.826 9.384 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.235 11.628 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.480 11.984 -3.830 1.00 0.00 H new ATOM 131 N SER A 9 -4.550 12.368 -3.101 1.00 0.00 N ATOM 132 CA SER A 9 -5.881 12.804 -3.658 1.00 0.00 C ATOM 133 C SER A 9 -6.312 14.266 -3.551 1.00 0.00 C ATOM 134 O SER A 9 -6.501 14.802 -2.479 1.00 0.00 O ATOM 135 CB SER A 9 -6.964 11.980 -3.017 1.00 0.00 C ATOM 136 OG SER A 9 -8.079 12.320 -3.835 1.00 0.00 O ATOM 0 H SER A 9 -4.438 12.470 -2.092 1.00 0.00 H new ATOM 0 HA SER A 9 -5.734 12.656 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.742 10.913 -3.044 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.122 12.246 -1.972 1.00 0.00 H new ATOM 0 HG SER A 9 -8.342 11.542 -4.370 1.00 0.00 H new ATOM 142 N ASP A 10 -6.444 14.812 -4.720 1.00 0.00 N ATOM 143 CA ASP A 10 -6.860 16.216 -5.034 1.00 0.00 C ATOM 144 C ASP A 10 -7.849 16.803 -3.973 1.00 0.00 C ATOM 145 O ASP A 10 -7.780 17.945 -3.572 1.00 0.00 O ATOM 146 CB ASP A 10 -7.426 16.073 -6.487 1.00 0.00 C ATOM 147 CG ASP A 10 -6.473 15.269 -7.325 1.00 0.00 C ATOM 148 OD1 ASP A 10 -5.521 15.816 -7.827 1.00 0.00 O ATOM 149 OD2 ASP A 10 -6.712 14.082 -7.418 1.00 0.00 O ATOM 0 H ASP A 10 -6.258 14.278 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.056 16.950 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.402 15.587 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.572 17.058 -6.929 1.00 0.00 H new ATOM 154 N LYS A 11 -8.742 15.942 -3.563 1.00 0.00 N ATOM 155 CA LYS A 11 -9.806 16.260 -2.541 1.00 0.00 C ATOM 156 C LYS A 11 -9.236 16.910 -1.239 1.00 0.00 C ATOM 157 O LYS A 11 -9.927 17.605 -0.524 1.00 0.00 O ATOM 158 CB LYS A 11 -10.545 14.897 -2.286 1.00 0.00 C ATOM 159 CG LYS A 11 -11.384 14.534 -3.559 1.00 0.00 C ATOM 160 CD LYS A 11 -11.913 13.048 -3.537 1.00 0.00 C ATOM 161 CE LYS A 11 -10.754 12.078 -3.732 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.282 10.714 -4.022 1.00 0.00 N ATOM 0 H LYS A 11 -8.785 14.983 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.495 17.021 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.822 14.109 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.195 14.977 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.231 15.216 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.771 14.684 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.412 12.845 -2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.653 12.905 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.120 12.415 -4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.132 12.055 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.810 10.331 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.098 10.091 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.307 10.767 -4.192 1.00 0.00 H new ATOM 176 N GLY A 12 -7.982 16.637 -0.991 1.00 0.00 N ATOM 177 CA GLY A 12 -7.216 17.159 0.209 1.00 0.00 C ATOM 178 C GLY A 12 -6.661 16.075 1.136 1.00 0.00 C ATOM 179 O GLY A 12 -6.476 16.308 2.311 1.00 0.00 O ATOM 0 H GLY A 12 -7.419 16.042 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.388 17.774 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.872 17.810 0.786 1.00 0.00 H new ATOM 183 N LEU A 13 -6.390 14.914 0.603 1.00 0.00 N ATOM 184 CA LEU A 13 -5.841 13.791 1.459 1.00 0.00 C ATOM 185 C LEU A 13 -4.681 12.952 0.847 1.00 0.00 C ATOM 186 O LEU A 13 -4.540 12.832 -0.356 1.00 0.00 O ATOM 187 CB LEU A 13 -7.034 12.850 1.812 1.00 0.00 C ATOM 188 CG LEU A 13 -8.139 13.562 2.611 1.00 0.00 C ATOM 189 CD1 LEU A 13 -9.302 12.586 2.767 1.00 0.00 C ATOM 190 CD2 LEU A 13 -7.639 13.870 4.025 1.00 0.00 C ATOM 0 H LEU A 13 -6.520 14.683 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.387 14.267 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.459 12.449 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.664 12.002 2.389 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.427 14.479 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.104 13.063 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.671 12.300 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.962 11.698 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.425 14.374 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.373 12.940 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.762 14.515 3.968 1.00 0.00 H new ATOM 202 N LEU A 14 -3.869 12.350 1.672 1.00 0.00 N ATOM 203 CA LEU A 14 -2.728 11.517 1.135 1.00 0.00 C ATOM 204 C LEU A 14 -3.233 10.062 0.992 1.00 0.00 C ATOM 205 O LEU A 14 -2.632 9.123 1.455 1.00 0.00 O ATOM 206 CB LEU A 14 -1.532 11.554 2.130 1.00 0.00 C ATOM 207 CG LEU A 14 -1.068 12.966 2.487 1.00 0.00 C ATOM 208 CD1 LEU A 14 0.143 12.835 3.416 1.00 0.00 C ATOM 209 CD2 LEU A 14 -0.563 13.654 1.235 1.00 0.00 C ATOM 0 H LEU A 14 -3.936 12.391 2.689 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.394 11.907 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.816 11.033 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.695 11.005 1.698 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.889 13.522 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.500 13.828 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.146 12.291 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.938 12.293 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.230 14.662 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.271 13.088 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.366 13.707 0.500 1.00 0.00 H new ATOM 221 N VAL A 15 -4.335 9.889 0.327 1.00 0.00 N ATOM 222 CA VAL A 15 -4.883 8.494 0.163 1.00 0.00 C ATOM 223 C VAL A 15 -4.468 7.739 -1.114 1.00 0.00 C ATOM 224 O VAL A 15 -3.831 8.260 -2.013 1.00 0.00 O ATOM 225 CB VAL A 15 -6.447 8.575 0.242 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.865 9.103 1.617 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.003 9.532 -0.814 1.00 0.00 C ATOM 0 H VAL A 15 -4.882 10.631 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.444 7.908 0.970 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.841 7.573 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.952 9.159 1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.498 8.430 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.443 10.096 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.090 9.568 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.594 10.529 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.722 9.181 -1.807 1.00 0.00 H new ATOM 237 N PHE A 16 -4.877 6.506 -1.102 1.00 0.00 N ATOM 238 CA PHE A 16 -4.629 5.513 -2.198 1.00 0.00 C ATOM 239 C PHE A 16 -5.965 5.096 -2.866 1.00 0.00 C ATOM 240 O PHE A 16 -6.733 4.364 -2.270 1.00 0.00 O ATOM 241 CB PHE A 16 -3.922 4.302 -1.538 1.00 0.00 C ATOM 242 CG PHE A 16 -2.488 4.052 -2.007 1.00 0.00 C ATOM 243 CD1 PHE A 16 -2.073 4.219 -3.312 1.00 0.00 C ATOM 244 CD2 PHE A 16 -1.582 3.613 -1.071 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.765 3.945 -3.662 1.00 0.00 C ATOM 246 CE2 PHE A 16 -0.278 3.341 -1.413 1.00 0.00 C ATOM 247 CZ PHE A 16 0.131 3.506 -2.712 1.00 0.00 C ATOM 0 H PHE A 16 -5.410 6.115 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.008 5.935 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.914 4.450 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.512 3.407 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.771 4.564 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.900 3.479 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.443 4.075 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.420 2.999 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.153 3.292 -2.989 1.00 0.00 H new ATOM 257 N GLU A 17 -6.218 5.536 -4.059 1.00 0.00 N ATOM 258 CA GLU A 17 -7.506 5.155 -4.745 1.00 0.00 C ATOM 259 C GLU A 17 -7.207 4.075 -5.844 1.00 0.00 C ATOM 260 O GLU A 17 -6.355 4.303 -6.687 1.00 0.00 O ATOM 261 CB GLU A 17 -8.136 6.457 -5.373 1.00 0.00 C ATOM 262 CG GLU A 17 -8.290 7.609 -4.287 1.00 0.00 C ATOM 263 CD GLU A 17 -9.249 8.723 -4.678 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.428 8.480 -4.778 1.00 0.00 O ATOM 265 OE2 GLU A 17 -8.827 9.846 -4.868 1.00 0.00 O ATOM 0 H GLU A 17 -5.600 6.142 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.215 4.726 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.508 6.808 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.112 6.222 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.631 7.165 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.309 8.043 -4.095 1.00 0.00 H new ATOM 272 N PRO A 18 -7.860 2.925 -5.840 1.00 0.00 N ATOM 273 CA PRO A 18 -8.643 2.284 -4.723 1.00 0.00 C ATOM 274 C PRO A 18 -7.875 1.240 -3.839 1.00 0.00 C ATOM 275 O PRO A 18 -8.135 0.058 -3.933 1.00 0.00 O ATOM 276 CB PRO A 18 -9.800 1.696 -5.487 1.00 0.00 C ATOM 277 CG PRO A 18 -9.062 1.076 -6.719 1.00 0.00 C ATOM 278 CD PRO A 18 -7.925 2.081 -7.066 1.00 0.00 C ATOM 0 HA PRO A 18 -8.916 2.999 -3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.337 0.945 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.527 2.453 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.658 0.092 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.742 0.946 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.980 1.574 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.160 2.670 -7.953 1.00 0.00 H new ATOM 286 N ALA A 19 -6.984 1.721 -3.018 1.00 0.00 N ATOM 287 CA ALA A 19 -6.099 0.953 -2.058 1.00 0.00 C ATOM 288 C ALA A 19 -6.041 -0.613 -2.024 1.00 0.00 C ATOM 289 O ALA A 19 -4.974 -1.183 -1.926 1.00 0.00 O ATOM 290 CB ALA A 19 -6.476 1.516 -0.665 1.00 0.00 C ATOM 0 H ALA A 19 -6.811 2.725 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.086 1.118 -2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.883 1.017 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.276 2.587 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.535 1.340 -0.476 1.00 0.00 H new ATOM 296 N LYS A 20 -7.170 -1.244 -2.107 1.00 0.00 N ATOM 297 CA LYS A 20 -7.296 -2.755 -2.082 1.00 0.00 C ATOM 298 C LYS A 20 -7.627 -3.389 -3.475 1.00 0.00 C ATOM 299 O LYS A 20 -8.764 -3.395 -3.924 1.00 0.00 O ATOM 300 CB LYS A 20 -8.394 -3.088 -1.021 1.00 0.00 C ATOM 301 CG LYS A 20 -9.649 -2.175 -1.232 1.00 0.00 C ATOM 302 CD LYS A 20 -10.964 -2.978 -0.969 1.00 0.00 C ATOM 303 CE LYS A 20 -11.207 -3.988 -2.092 1.00 0.00 C ATOM 304 NZ LYS A 20 -11.344 -3.182 -3.345 1.00 0.00 N ATOM 0 H LYS A 20 -8.066 -0.765 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.333 -3.193 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.681 -4.136 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.995 -2.943 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.599 -1.318 -0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.653 -1.783 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.895 -3.497 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.808 -2.292 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.379 -4.693 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.107 -4.573 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.124 -3.562 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.545 -2.191 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.459 -3.232 -3.888 1.00 0.00 H new ATOM 318 N LEU A 21 -6.622 -3.924 -4.110 1.00 0.00 N ATOM 319 CA LEU A 21 -6.758 -4.561 -5.463 1.00 0.00 C ATOM 320 C LEU A 21 -6.566 -6.102 -5.662 1.00 0.00 C ATOM 321 O LEU A 21 -5.458 -6.602 -5.644 1.00 0.00 O ATOM 322 CB LEU A 21 -5.768 -3.834 -6.374 1.00 0.00 C ATOM 323 CG LEU A 21 -6.305 -3.741 -7.833 1.00 0.00 C ATOM 324 CD1 LEU A 21 -5.126 -3.332 -8.708 1.00 0.00 C ATOM 325 CD2 LEU A 21 -6.995 -5.035 -8.376 1.00 0.00 C ATOM 0 H LEU A 21 -5.673 -3.949 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.820 -4.456 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.583 -2.832 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.813 -4.359 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.109 -3.006 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.453 -3.253 -9.745 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.742 -2.368 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.339 -4.082 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.333 -4.866 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.283 -5.860 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.851 -5.282 -7.747 1.00 0.00 H new ATOM 337 N THR A 22 -7.627 -6.833 -5.861 1.00 0.00 N ATOM 338 CA THR A 22 -7.489 -8.330 -6.075 1.00 0.00 C ATOM 339 C THR A 22 -7.096 -8.546 -7.542 1.00 0.00 C ATOM 340 O THR A 22 -7.871 -8.890 -8.411 1.00 0.00 O ATOM 341 CB THR A 22 -8.820 -9.041 -5.790 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.029 -8.819 -4.402 1.00 0.00 O ATOM 343 CG2 THR A 22 -8.659 -10.552 -5.802 1.00 0.00 C ATOM 0 H THR A 22 -8.582 -6.477 -5.887 1.00 0.00 H new ATOM 0 HA THR A 22 -6.737 -8.739 -5.400 1.00 0.00 H new ATOM 0 HB THR A 22 -9.571 -8.700 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.869 -9.242 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.621 -11.022 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.300 -10.872 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.940 -10.847 -5.038 1.00 0.00 H new ATOM 351 N ILE A 23 -5.840 -8.303 -7.765 1.00 0.00 N ATOM 352 CA ILE A 23 -5.200 -8.433 -9.114 1.00 0.00 C ATOM 353 C ILE A 23 -4.899 -9.857 -9.555 1.00 0.00 C ATOM 354 O ILE A 23 -5.063 -10.814 -8.831 1.00 0.00 O ATOM 355 CB ILE A 23 -3.857 -7.714 -9.147 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.956 -8.282 -8.042 1.00 0.00 C ATOM 357 CG2 ILE A 23 -4.012 -6.246 -8.860 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.506 -8.263 -8.550 1.00 0.00 C ATOM 0 H ILE A 23 -5.194 -8.004 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.944 -8.002 -9.785 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.433 -7.857 -10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.048 -7.688 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.258 -9.299 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.035 -5.764 -8.891 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.663 -5.796 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.450 -6.113 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.846 -8.663 -7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.427 -8.874 -9.449 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.215 -7.238 -8.781 1.00 0.00 H new ATOM 370 N LYS A 24 -4.448 -9.966 -10.767 1.00 0.00 N ATOM 371 CA LYS A 24 -4.113 -11.308 -11.273 1.00 0.00 C ATOM 372 C LYS A 24 -2.597 -11.619 -10.972 1.00 0.00 C ATOM 373 O LYS A 24 -1.888 -10.725 -10.565 1.00 0.00 O ATOM 374 CB LYS A 24 -4.436 -11.221 -12.726 1.00 0.00 C ATOM 375 CG LYS A 24 -5.843 -10.581 -12.887 1.00 0.00 C ATOM 376 CD LYS A 24 -6.153 -10.385 -14.345 1.00 0.00 C ATOM 377 CE LYS A 24 -6.203 -11.724 -15.121 1.00 0.00 C ATOM 378 NZ LYS A 24 -4.803 -12.194 -15.326 1.00 0.00 N ATOM 0 H LYS A 24 -4.300 -9.194 -11.417 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.661 -12.126 -10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.687 -10.622 -13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.418 -12.213 -13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.597 -11.221 -12.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.878 -9.624 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.111 -9.874 -14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.398 -9.737 -14.791 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.776 -12.466 -14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.703 -11.590 -16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.690 -12.532 -16.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.144 -11.408 -15.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.597 -12.970 -14.665 1.00 0.00 H new ATOM 392 N PRO A 25 -2.104 -12.817 -11.160 1.00 0.00 N ATOM 393 CA PRO A 25 -0.673 -13.152 -10.860 1.00 0.00 C ATOM 394 C PRO A 25 0.311 -12.751 -11.996 1.00 0.00 C ATOM 395 O PRO A 25 0.850 -13.619 -12.656 1.00 0.00 O ATOM 396 CB PRO A 25 -0.765 -14.657 -10.585 1.00 0.00 C ATOM 397 CG PRO A 25 -1.778 -15.103 -11.666 1.00 0.00 C ATOM 398 CD PRO A 25 -2.854 -13.997 -11.663 1.00 0.00 C ATOM 0 HA PRO A 25 -0.249 -12.595 -10.025 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.199 -15.154 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.120 -14.869 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.303 -15.193 -12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.208 -16.076 -11.430 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.261 -13.824 -12.659 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.694 -14.250 -11.016 1.00 0.00 H new ATOM 406 N GLY A 26 0.532 -11.473 -12.212 1.00 0.00 N ATOM 407 CA GLY A 26 1.498 -11.085 -13.330 1.00 0.00 C ATOM 408 C GLY A 26 0.921 -10.330 -14.535 1.00 0.00 C ATOM 409 O GLY A 26 1.025 -10.760 -15.667 1.00 0.00 O ATOM 0 H GLY A 26 0.112 -10.701 -11.695 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.287 -10.471 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.969 -11.996 -13.698 1.00 0.00 H new ATOM 413 N ASP A 27 0.331 -9.222 -14.225 1.00 0.00 N ATOM 414 CA ASP A 27 -0.307 -8.291 -15.215 1.00 0.00 C ATOM 415 C ASP A 27 0.567 -6.955 -15.146 1.00 0.00 C ATOM 416 O ASP A 27 1.670 -6.928 -14.630 1.00 0.00 O ATOM 417 CB ASP A 27 -1.759 -8.037 -14.740 1.00 0.00 C ATOM 418 CG ASP A 27 -3.017 -8.734 -15.228 1.00 0.00 C ATOM 419 OD1 ASP A 27 -3.103 -9.900 -15.531 1.00 0.00 O ATOM 420 OD2 ASP A 27 -3.932 -7.924 -15.208 1.00 0.00 O ATOM 0 H ASP A 27 0.255 -8.893 -13.262 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.342 -8.675 -16.235 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.742 -8.194 -13.661 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.935 -6.974 -14.905 1.00 0.00 H new ATOM 425 N THR A 28 0.070 -5.863 -15.667 1.00 0.00 N ATOM 426 CA THR A 28 0.812 -4.540 -15.647 1.00 0.00 C ATOM 427 C THR A 28 0.246 -3.340 -14.864 1.00 0.00 C ATOM 428 O THR A 28 -0.267 -2.406 -15.450 1.00 0.00 O ATOM 429 CB THR A 28 1.007 -4.030 -17.060 1.00 0.00 C ATOM 430 OG1 THR A 28 1.723 -5.045 -17.737 1.00 0.00 O ATOM 431 CG2 THR A 28 2.068 -2.933 -17.165 1.00 0.00 C ATOM 0 H THR A 28 -0.843 -5.820 -16.120 1.00 0.00 H new ATOM 0 HA THR A 28 1.710 -4.840 -15.107 1.00 0.00 H new ATOM 0 HB THR A 28 0.024 -3.721 -17.414 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.431 -5.390 -17.154 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.158 -2.612 -18.203 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.776 -2.084 -16.547 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.027 -3.320 -16.820 1.00 0.00 H new ATOM 439 N VAL A 29 0.313 -3.340 -13.569 1.00 0.00 N ATOM 440 CA VAL A 29 -0.240 -2.140 -12.843 1.00 0.00 C ATOM 441 C VAL A 29 0.564 -0.838 -12.980 1.00 0.00 C ATOM 442 O VAL A 29 1.777 -0.832 -12.927 1.00 0.00 O ATOM 443 CB VAL A 29 -0.365 -2.499 -11.349 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.011 -2.790 -10.724 1.00 0.00 C ATOM 445 CG2 VAL A 29 -1.038 -1.355 -10.564 1.00 0.00 C ATOM 0 H VAL A 29 0.707 -4.080 -12.988 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.199 -1.925 -13.315 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.980 -3.397 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.887 -3.040 -9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.476 -3.628 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.646 -1.909 -10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.115 -1.631 -9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.440 -0.448 -10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.035 -1.175 -10.966 1.00 0.00 H new ATOM 455 N GLU A 30 -0.170 0.217 -13.154 1.00 0.00 N ATOM 456 CA GLU A 30 0.388 1.584 -13.303 1.00 0.00 C ATOM 457 C GLU A 30 0.012 2.463 -12.075 1.00 0.00 C ATOM 458 O GLU A 30 -1.138 2.577 -11.715 1.00 0.00 O ATOM 459 CB GLU A 30 -0.183 2.151 -14.611 1.00 0.00 C ATOM 460 CG GLU A 30 0.429 3.571 -14.854 1.00 0.00 C ATOM 461 CD GLU A 30 1.797 3.575 -15.537 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.665 2.853 -15.095 1.00 0.00 O ATOM 463 OE2 GLU A 30 1.897 4.329 -16.479 1.00 0.00 O ATOM 0 H GLU A 30 -1.188 0.185 -13.201 1.00 0.00 H new ATOM 0 HA GLU A 30 1.477 1.570 -13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.054 1.490 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.270 2.213 -14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.266 4.151 -15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.517 4.082 -13.895 1.00 0.00 H new ATOM 470 N PHE A 31 0.963 3.070 -11.431 1.00 0.00 N ATOM 471 CA PHE A 31 0.698 3.944 -10.233 1.00 0.00 C ATOM 472 C PHE A 31 0.984 5.436 -10.524 1.00 0.00 C ATOM 473 O PHE A 31 2.089 5.792 -10.881 1.00 0.00 O ATOM 474 CB PHE A 31 1.598 3.485 -9.063 1.00 0.00 C ATOM 475 CG PHE A 31 1.119 2.183 -8.423 1.00 0.00 C ATOM 476 CD1 PHE A 31 1.492 0.962 -8.931 1.00 0.00 C ATOM 477 CD2 PHE A 31 0.306 2.223 -7.309 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.061 -0.203 -8.335 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.127 1.058 -6.710 1.00 0.00 C ATOM 480 CZ PHE A 31 0.251 -0.159 -7.223 1.00 0.00 C ATOM 0 H PHE A 31 1.948 3.001 -11.685 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.358 3.846 -9.979 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.618 3.353 -9.425 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.628 4.268 -8.305 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.127 0.915 -9.803 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.005 3.177 -6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.361 -1.157 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.763 1.103 -5.838 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.085 -1.074 -6.758 1.00 0.00 H new ATOM 490 N LEU A 32 0.016 6.293 -10.369 1.00 0.00 N ATOM 491 CA LEU A 32 0.251 7.741 -10.636 1.00 0.00 C ATOM 492 C LEU A 32 0.485 8.541 -9.319 1.00 0.00 C ATOM 493 O LEU A 32 -0.309 8.500 -8.397 1.00 0.00 O ATOM 494 CB LEU A 32 -0.987 8.210 -11.449 1.00 0.00 C ATOM 495 CG LEU A 32 -0.753 9.603 -12.080 1.00 0.00 C ATOM 496 CD1 LEU A 32 -1.769 9.771 -13.204 1.00 0.00 C ATOM 497 CD2 LEU A 32 -1.072 10.705 -11.075 1.00 0.00 C ATOM 0 H LEU A 32 -0.929 6.055 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 32 1.164 7.918 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.205 7.485 -12.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.860 8.246 -10.797 1.00 0.00 H new ATOM 0 HG LEU A 32 0.283 9.671 -12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.634 10.745 -13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.623 8.987 -13.947 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.777 9.702 -12.796 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.902 11.678 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.115 10.626 -10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.428 10.599 -10.202 1.00 0.00 H new ATOM 509 N ASN A 33 1.584 9.254 -9.321 1.00 0.00 N ATOM 510 CA ASN A 33 2.066 10.121 -8.173 1.00 0.00 C ATOM 511 C ASN A 33 1.354 11.474 -8.427 1.00 0.00 C ATOM 512 O ASN A 33 1.793 12.287 -9.218 1.00 0.00 O ATOM 513 CB ASN A 33 3.629 10.115 -8.320 1.00 0.00 C ATOM 514 CG ASN A 33 4.382 10.719 -7.143 1.00 0.00 C ATOM 515 OD1 ASN A 33 5.268 11.630 -7.326 1.00 0.00 O flip ATOM 516 ND2 ASN A 33 4.206 10.377 -6.000 1.00 0.00 N flip ATOM 0 H ASN A 33 2.214 9.276 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 33 1.845 9.820 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.963 9.087 -8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.897 10.662 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.516 9.657 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.747 10.808 -5.250 1.00 0.00 H new ATOM 523 N ASN A 34 0.266 11.675 -7.733 1.00 0.00 N ATOM 524 CA ASN A 34 -0.553 12.928 -7.893 1.00 0.00 C ATOM 525 C ASN A 34 -0.489 14.124 -6.903 1.00 0.00 C ATOM 526 O ASN A 34 -0.527 15.259 -7.344 1.00 0.00 O ATOM 527 CB ASN A 34 -1.977 12.365 -8.030 1.00 0.00 C ATOM 528 CG ASN A 34 -3.003 13.449 -8.152 1.00 0.00 C ATOM 529 OD1 ASN A 34 -2.953 14.337 -8.966 1.00 0.00 O ATOM 530 ND2 ASN A 34 -3.990 13.442 -7.347 1.00 0.00 N ATOM 0 H ASN A 34 -0.102 11.016 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.117 13.476 -8.729 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.028 11.718 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.206 11.746 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.701 14.171 -7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.069 12.708 -6.643 1.00 0.00 H new ATOM 537 N LYS A 35 -0.430 13.897 -5.624 1.00 0.00 N ATOM 538 CA LYS A 35 -0.364 15.058 -4.653 1.00 0.00 C ATOM 539 C LYS A 35 0.632 14.821 -3.496 1.00 0.00 C ATOM 540 O LYS A 35 0.968 13.692 -3.216 1.00 0.00 O ATOM 541 CB LYS A 35 -1.814 15.306 -4.109 1.00 0.00 C ATOM 542 CG LYS A 35 -2.777 15.769 -5.245 1.00 0.00 C ATOM 543 CD LYS A 35 -2.364 17.183 -5.795 1.00 0.00 C ATOM 544 CE LYS A 35 -3.254 17.587 -6.976 1.00 0.00 C ATOM 545 NZ LYS A 35 -2.918 16.683 -8.114 1.00 0.00 N ATOM 0 H LYS A 35 -0.424 12.971 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 35 0.009 15.937 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.196 14.391 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.785 16.062 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.764 15.041 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.799 15.806 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.446 17.925 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.320 17.166 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.308 17.497 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.082 18.628 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.858 17.237 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.004 16.222 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.658 15.958 -8.212 1.00 0.00 H new ATOM 559 N VAL A 36 1.049 15.888 -2.864 1.00 0.00 N ATOM 560 CA VAL A 36 2.035 15.835 -1.709 1.00 0.00 C ATOM 561 C VAL A 36 2.923 14.535 -1.642 1.00 0.00 C ATOM 562 O VAL A 36 2.687 13.632 -0.860 1.00 0.00 O ATOM 563 CB VAL A 36 1.189 16.022 -0.420 1.00 0.00 C ATOM 564 CG1 VAL A 36 2.101 16.120 0.818 1.00 0.00 C ATOM 565 CG2 VAL A 36 0.383 17.333 -0.471 1.00 0.00 C ATOM 0 H VAL A 36 0.743 16.832 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 36 2.776 16.623 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 36 0.524 15.161 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.490 16.251 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.688 15.206 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.772 16.972 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.200 17.438 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.066 18.177 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.289 17.314 -1.329 1.00 0.00 H new ATOM 575 N PRO A 37 3.920 14.501 -2.502 1.00 0.00 N ATOM 576 CA PRO A 37 4.950 13.416 -2.572 1.00 0.00 C ATOM 577 C PRO A 37 6.255 13.897 -1.829 1.00 0.00 C ATOM 578 O PRO A 37 6.267 15.001 -1.312 1.00 0.00 O ATOM 579 CB PRO A 37 4.973 13.260 -4.104 1.00 0.00 C ATOM 580 CG PRO A 37 5.097 14.743 -4.548 1.00 0.00 C ATOM 581 CD PRO A 37 4.174 15.517 -3.567 1.00 0.00 C ATOM 0 HA PRO A 37 4.790 12.457 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.813 12.655 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.067 12.789 -4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.127 15.092 -4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.779 14.876 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.659 16.409 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.251 15.842 -4.047 1.00 0.00 H new ATOM 589 N PRO A 38 7.331 13.133 -1.768 1.00 0.00 N ATOM 590 CA PRO A 38 7.724 11.983 -2.647 1.00 0.00 C ATOM 591 C PRO A 38 7.398 10.512 -2.248 1.00 0.00 C ATOM 592 O PRO A 38 8.169 9.793 -1.637 1.00 0.00 O ATOM 593 CB PRO A 38 9.167 12.268 -2.786 1.00 0.00 C ATOM 594 CG PRO A 38 9.594 12.631 -1.330 1.00 0.00 C ATOM 595 CD PRO A 38 8.375 13.393 -0.741 1.00 0.00 C ATOM 0 HA PRO A 38 7.114 11.964 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.714 11.405 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.351 13.090 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.821 11.737 -0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.490 13.251 -1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.089 13.012 0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.576 14.458 -0.622 1.00 0.00 H new ATOM 603 N HIS A 39 6.237 10.118 -2.655 1.00 0.00 N ATOM 604 CA HIS A 39 5.668 8.730 -2.394 1.00 0.00 C ATOM 605 C HIS A 39 6.516 7.492 -2.824 1.00 0.00 C ATOM 606 O HIS A 39 6.171 6.735 -3.710 1.00 0.00 O ATOM 607 CB HIS A 39 4.278 8.646 -3.078 1.00 0.00 C ATOM 608 CG HIS A 39 3.369 9.702 -2.477 1.00 0.00 C ATOM 609 ND1 HIS A 39 2.960 9.683 -1.211 1.00 0.00 N ATOM 610 CD2 HIS A 39 2.890 10.798 -3.141 1.00 0.00 C ATOM 611 CE1 HIS A 39 2.238 10.788 -1.124 1.00 0.00 C ATOM 612 NE2 HIS A 39 2.208 11.415 -2.244 1.00 0.00 N ATOM 0 H HIS A 39 5.608 10.717 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 39 5.642 8.651 -1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.377 8.801 -4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.848 7.654 -2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.047 11.078 -4.172 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.738 11.120 -0.226 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.707 12.290 -2.401 1.00 0.00 H new ATOM 620 N ASN A 40 7.621 7.296 -2.172 1.00 0.00 N ATOM 621 CA ASN A 40 8.518 6.137 -2.493 1.00 0.00 C ATOM 622 C ASN A 40 7.941 4.841 -1.909 1.00 0.00 C ATOM 623 O ASN A 40 8.401 4.375 -0.889 1.00 0.00 O ATOM 624 CB ASN A 40 9.910 6.495 -1.907 1.00 0.00 C ATOM 625 CG ASN A 40 10.965 5.392 -1.882 1.00 0.00 C ATOM 626 OD1 ASN A 40 12.112 5.660 -1.634 1.00 0.00 O ATOM 627 ND2 ASN A 40 10.738 4.149 -2.103 1.00 0.00 N ATOM 0 H ASN A 40 7.954 7.895 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 40 8.603 5.962 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.311 7.332 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.765 6.846 -0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.503 3.476 -2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.793 3.834 -2.321 1.00 0.00 H new ATOM 634 N VAL A 41 6.940 4.288 -2.532 1.00 0.00 N ATOM 635 CA VAL A 41 6.398 3.014 -1.947 1.00 0.00 C ATOM 636 C VAL A 41 7.477 1.925 -1.816 1.00 0.00 C ATOM 637 O VAL A 41 8.276 1.684 -2.701 1.00 0.00 O ATOM 638 CB VAL A 41 5.273 2.394 -2.804 1.00 0.00 C ATOM 639 CG1 VAL A 41 4.001 3.237 -2.682 1.00 0.00 C ATOM 640 CG2 VAL A 41 5.649 2.376 -4.296 1.00 0.00 C ATOM 0 H VAL A 41 6.487 4.634 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 41 6.019 3.312 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 41 5.120 1.377 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.211 2.794 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.683 3.268 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.201 4.250 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.836 1.933 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.823 3.396 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.555 1.786 -4.436 1.00 0.00 H new ATOM 650 N VAL A 42 7.430 1.315 -0.683 1.00 0.00 N ATOM 651 CA VAL A 42 8.329 0.216 -0.263 1.00 0.00 C ATOM 652 C VAL A 42 7.401 -1.025 -0.186 1.00 0.00 C ATOM 653 O VAL A 42 6.334 -0.956 0.399 1.00 0.00 O ATOM 654 CB VAL A 42 8.919 0.621 1.101 1.00 0.00 C ATOM 655 CG1 VAL A 42 9.922 -0.426 1.570 1.00 0.00 C ATOM 656 CG2 VAL A 42 9.671 1.958 0.984 1.00 0.00 C ATOM 0 H VAL A 42 6.744 1.555 0.032 1.00 0.00 H new ATOM 0 HA VAL A 42 9.167 0.007 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 42 8.094 0.708 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.333 -0.130 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.423 -1.390 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.729 -0.509 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.082 2.231 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.482 1.857 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.983 2.735 0.650 1.00 0.00 H new ATOM 666 N PHE A 43 7.790 -2.122 -0.768 1.00 0.00 N ATOM 667 CA PHE A 43 6.914 -3.337 -0.709 1.00 0.00 C ATOM 668 C PHE A 43 7.303 -4.079 0.569 1.00 0.00 C ATOM 669 O PHE A 43 8.457 -4.060 0.956 1.00 0.00 O ATOM 670 CB PHE A 43 7.148 -4.193 -1.979 1.00 0.00 C ATOM 671 CG PHE A 43 6.070 -3.848 -3.025 1.00 0.00 C ATOM 672 CD1 PHE A 43 6.083 -2.659 -3.719 1.00 0.00 C ATOM 673 CD2 PHE A 43 5.057 -4.743 -3.278 1.00 0.00 C ATOM 674 CE1 PHE A 43 5.106 -2.365 -4.650 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.077 -4.459 -4.207 1.00 0.00 C ATOM 676 CZ PHE A 43 4.100 -3.268 -4.894 1.00 0.00 C ATOM 0 H PHE A 43 8.666 -2.237 -1.278 1.00 0.00 H new ATOM 0 HA PHE A 43 5.852 -3.093 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.141 -4.000 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.105 -5.254 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.871 -1.944 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.028 -5.680 -2.743 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.133 -1.427 -5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.290 -5.174 -4.395 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.333 -3.044 -5.620 1.00 0.00 H new ATOM 686 N ASP A 44 6.375 -4.706 1.218 1.00 0.00 N ATOM 687 CA ASP A 44 6.731 -5.426 2.475 1.00 0.00 C ATOM 688 C ASP A 44 7.584 -6.755 2.495 1.00 0.00 C ATOM 689 O ASP A 44 7.998 -7.284 1.486 1.00 0.00 O ATOM 690 CB ASP A 44 5.370 -5.602 3.178 1.00 0.00 C ATOM 691 CG ASP A 44 5.667 -5.734 4.645 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.316 -4.835 5.136 1.00 0.00 O ATOM 693 OD2 ASP A 44 5.253 -6.739 5.153 1.00 0.00 O ATOM 0 H ASP A 44 5.394 -4.756 0.943 1.00 0.00 H new ATOM 0 HA ASP A 44 7.487 -4.810 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.721 -4.747 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.851 -6.485 2.805 1.00 0.00 H new ATOM 698 N ALA A 45 7.826 -7.213 3.698 1.00 0.00 N ATOM 699 CA ALA A 45 8.606 -8.448 4.027 1.00 0.00 C ATOM 700 C ALA A 45 7.733 -9.606 4.621 1.00 0.00 C ATOM 701 O ALA A 45 8.123 -10.758 4.642 1.00 0.00 O ATOM 702 CB ALA A 45 9.708 -8.005 5.010 1.00 0.00 C ATOM 0 H ALA A 45 7.483 -6.737 4.532 1.00 0.00 H new ATOM 0 HA ALA A 45 9.022 -8.875 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.314 -8.867 5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.340 -7.255 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.250 -7.579 5.903 1.00 0.00 H new ATOM 708 N ALA A 46 6.580 -9.227 5.094 1.00 0.00 N ATOM 709 CA ALA A 46 5.577 -10.156 5.703 1.00 0.00 C ATOM 710 C ALA A 46 4.364 -10.284 4.722 1.00 0.00 C ATOM 711 O ALA A 46 3.846 -11.357 4.466 1.00 0.00 O ATOM 712 CB ALA A 46 5.197 -9.538 7.066 1.00 0.00 C ATOM 0 H ALA A 46 6.273 -8.254 5.083 1.00 0.00 H new ATOM 0 HA ALA A 46 5.954 -11.166 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.464 -10.174 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.087 -9.457 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.771 -8.547 6.910 1.00 0.00 H new ATOM 718 N LEU A 47 3.954 -9.158 4.210 1.00 0.00 N ATOM 719 CA LEU A 47 2.809 -9.067 3.236 1.00 0.00 C ATOM 720 C LEU A 47 3.431 -9.032 1.805 1.00 0.00 C ATOM 721 O LEU A 47 3.278 -8.105 1.027 1.00 0.00 O ATOM 722 CB LEU A 47 2.002 -7.758 3.532 1.00 0.00 C ATOM 723 CG LEU A 47 1.176 -7.742 4.846 1.00 0.00 C ATOM 724 CD1 LEU A 47 0.121 -8.847 4.816 1.00 0.00 C ATOM 725 CD2 LEU A 47 2.063 -7.980 6.060 1.00 0.00 C ATOM 0 H LEU A 47 4.378 -8.257 4.431 1.00 0.00 H new ATOM 0 HA LEU A 47 2.127 -9.913 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.702 -6.923 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.323 -7.579 2.699 1.00 0.00 H new ATOM 0 HG LEU A 47 0.708 -6.761 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.453 -8.827 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.549 -8.688 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.611 -9.815 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.455 -7.963 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.551 -8.950 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.820 -7.197 6.117 1.00 0.00 H new ATOM 737 N ASN A 48 4.150 -10.085 1.547 1.00 0.00 N ATOM 738 CA ASN A 48 4.881 -10.350 0.257 1.00 0.00 C ATOM 739 C ASN A 48 4.814 -11.851 -0.190 1.00 0.00 C ATOM 740 O ASN A 48 5.833 -12.474 -0.414 1.00 0.00 O ATOM 741 CB ASN A 48 6.339 -9.864 0.513 1.00 0.00 C ATOM 742 CG ASN A 48 6.899 -10.564 1.742 1.00 0.00 C ATOM 743 OD1 ASN A 48 6.201 -10.904 2.663 1.00 0.00 O ATOM 744 ND2 ASN A 48 8.147 -10.822 1.870 1.00 0.00 N ATOM 0 H ASN A 48 4.273 -10.834 2.228 1.00 0.00 H new ATOM 0 HA ASN A 48 4.420 -9.819 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.962 -10.077 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.353 -8.784 0.659 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.488 -11.286 2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.800 -10.563 1.130 1.00 0.00 H new ATOM 751 N PRO A 49 3.627 -12.390 -0.331 1.00 0.00 N ATOM 752 CA PRO A 49 3.169 -13.663 0.322 1.00 0.00 C ATOM 753 C PRO A 49 4.226 -14.681 0.836 1.00 0.00 C ATOM 754 O PRO A 49 4.098 -15.253 1.907 1.00 0.00 O ATOM 755 CB PRO A 49 2.182 -14.232 -0.750 1.00 0.00 C ATOM 756 CG PRO A 49 2.162 -13.158 -1.895 1.00 0.00 C ATOM 757 CD PRO A 49 2.565 -11.848 -1.206 1.00 0.00 C ATOM 0 HA PRO A 49 2.732 -13.452 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.519 -15.200 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.187 -14.381 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.858 -13.416 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.173 -13.080 -2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.933 -11.096 -1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.747 -11.392 -0.649 1.00 0.00 H new ATOM 765 N ALA A 50 5.255 -14.880 0.070 1.00 0.00 N ATOM 766 CA ALA A 50 6.343 -15.840 0.448 1.00 0.00 C ATOM 767 C ALA A 50 7.363 -15.222 1.458 1.00 0.00 C ATOM 768 O ALA A 50 8.546 -15.486 1.400 1.00 0.00 O ATOM 769 CB ALA A 50 6.999 -16.252 -0.888 1.00 0.00 C ATOM 0 H ALA A 50 5.399 -14.411 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 50 5.947 -16.706 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.808 -16.956 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.254 -16.723 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.399 -15.368 -1.385 1.00 0.00 H new ATOM 775 N LYS A 51 6.826 -14.435 2.353 1.00 0.00 N ATOM 776 CA LYS A 51 7.580 -13.708 3.446 1.00 0.00 C ATOM 777 C LYS A 51 9.131 -13.681 3.344 1.00 0.00 C ATOM 778 O LYS A 51 9.866 -14.126 4.206 1.00 0.00 O ATOM 779 CB LYS A 51 7.069 -14.365 4.748 1.00 0.00 C ATOM 780 CG LYS A 51 5.566 -13.972 4.898 1.00 0.00 C ATOM 781 CD LYS A 51 4.877 -14.785 6.005 1.00 0.00 C ATOM 782 CE LYS A 51 4.740 -16.222 5.546 1.00 0.00 C ATOM 783 NZ LYS A 51 3.933 -16.918 6.600 1.00 0.00 N ATOM 0 H LYS A 51 5.823 -14.249 2.378 1.00 0.00 H new ATOM 0 HA LYS A 51 7.377 -12.639 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.182 -15.448 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.645 -14.020 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.488 -12.909 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.050 -14.135 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.459 -14.737 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.896 -14.365 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.245 -16.276 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.718 -16.690 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.805 -17.916 6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.430 -16.861 7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.003 -16.460 6.684 1.00 0.00 H new ATOM 797 N SER A 52 9.554 -13.132 2.242 1.00 0.00 N ATOM 798 CA SER A 52 11.012 -12.983 1.897 1.00 0.00 C ATOM 799 C SER A 52 11.516 -11.511 1.866 1.00 0.00 C ATOM 800 O SER A 52 10.814 -10.588 2.241 1.00 0.00 O ATOM 801 CB SER A 52 11.194 -13.664 0.530 1.00 0.00 C ATOM 802 OG SER A 52 10.755 -12.705 -0.439 1.00 0.00 O ATOM 0 H SER A 52 8.926 -12.761 1.529 1.00 0.00 H new ATOM 0 HA SER A 52 11.616 -13.447 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.236 -13.940 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.608 -14.581 0.468 1.00 0.00 H new ATOM 0 HG SER A 52 11.432 -12.618 -1.142 1.00 0.00 H new ATOM 808 N ALA A 53 12.729 -11.310 1.425 1.00 0.00 N ATOM 809 CA ALA A 53 13.336 -9.926 1.343 1.00 0.00 C ATOM 810 C ALA A 53 13.699 -9.661 -0.145 1.00 0.00 C ATOM 811 O ALA A 53 13.233 -8.735 -0.786 1.00 0.00 O ATOM 812 CB ALA A 53 14.562 -9.944 2.293 1.00 0.00 C ATOM 0 H ALA A 53 13.347 -12.057 1.108 1.00 0.00 H new ATOM 0 HA ALA A 53 12.671 -9.120 1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.047 -8.968 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.233 -10.171 3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.268 -10.705 1.961 1.00 0.00 H new ATOM 818 N ASP A 54 14.544 -10.542 -0.577 1.00 0.00 N ATOM 819 CA ASP A 54 15.135 -10.659 -1.944 1.00 0.00 C ATOM 820 C ASP A 54 14.304 -9.975 -3.067 1.00 0.00 C ATOM 821 O ASP A 54 14.728 -9.020 -3.687 1.00 0.00 O ATOM 822 CB ASP A 54 15.311 -12.217 -2.048 1.00 0.00 C ATOM 823 CG ASP A 54 14.131 -12.881 -1.360 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.102 -12.976 -1.989 1.00 0.00 O ATOM 825 OD2 ASP A 54 14.326 -13.221 -0.210 1.00 0.00 O ATOM 0 H ASP A 54 14.890 -11.276 0.041 1.00 0.00 H new ATOM 0 HA ASP A 54 16.070 -10.118 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.362 -12.524 -3.093 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.246 -12.525 -1.579 1.00 0.00 H new ATOM 830 N LEU A 55 13.130 -10.486 -3.286 1.00 0.00 N ATOM 831 CA LEU A 55 12.203 -9.939 -4.327 1.00 0.00 C ATOM 832 C LEU A 55 11.333 -8.935 -3.551 1.00 0.00 C ATOM 833 O LEU A 55 11.291 -7.769 -3.885 1.00 0.00 O ATOM 834 CB LEU A 55 11.381 -11.134 -4.910 1.00 0.00 C ATOM 835 CG LEU A 55 10.504 -10.728 -6.132 1.00 0.00 C ATOM 836 CD1 LEU A 55 9.833 -11.991 -6.670 1.00 0.00 C ATOM 837 CD2 LEU A 55 9.351 -9.793 -5.738 1.00 0.00 C ATOM 0 H LEU A 55 12.757 -11.285 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 55 12.686 -9.451 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.066 -11.928 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.740 -11.543 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 55 11.157 -10.230 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.211 -11.735 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.596 -12.707 -6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.212 -12.433 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.769 -9.539 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.708 -10.293 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.756 -8.882 -5.296 1.00 0.00 H new ATOM 849 N ALA A 56 10.678 -9.440 -2.543 1.00 0.00 N ATOM 850 CA ALA A 56 9.774 -8.654 -1.642 1.00 0.00 C ATOM 851 C ALA A 56 10.027 -7.117 -1.592 1.00 0.00 C ATOM 852 O ALA A 56 9.132 -6.322 -1.787 1.00 0.00 O ATOM 853 CB ALA A 56 9.936 -9.336 -0.285 1.00 0.00 C ATOM 0 H ALA A 56 10.735 -10.427 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 56 8.751 -8.672 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.310 -8.833 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.634 -10.380 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.979 -9.282 0.027 1.00 0.00 H new ATOM 859 N LYS A 57 11.249 -6.736 -1.341 1.00 0.00 N ATOM 860 CA LYS A 57 11.591 -5.271 -1.272 1.00 0.00 C ATOM 861 C LYS A 57 12.119 -4.807 -2.633 1.00 0.00 C ATOM 862 O LYS A 57 11.781 -3.711 -3.029 1.00 0.00 O ATOM 863 CB LYS A 57 12.665 -5.065 -0.148 1.00 0.00 C ATOM 864 CG LYS A 57 12.336 -5.847 1.167 1.00 0.00 C ATOM 865 CD LYS A 57 10.962 -5.451 1.797 1.00 0.00 C ATOM 866 CE LYS A 57 10.916 -3.993 2.262 1.00 0.00 C ATOM 867 NZ LYS A 57 9.636 -3.842 3.018 1.00 0.00 N ATOM 0 H LYS A 57 12.032 -7.370 -1.179 1.00 0.00 H new ATOM 0 HA LYS A 57 10.708 -4.678 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.638 -5.386 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.745 -4.002 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.335 -6.916 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.127 -5.667 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.171 -5.619 1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.756 -6.104 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.772 -3.758 2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.950 -3.311 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.633 -2.929 3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.835 -3.878 2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.548 -4.614 3.709 1.00 0.00 H new ATOM 881 N SER A 58 12.917 -5.585 -3.313 1.00 0.00 N ATOM 882 CA SER A 58 13.420 -5.126 -4.672 1.00 0.00 C ATOM 883 C SER A 58 12.211 -4.611 -5.469 1.00 0.00 C ATOM 884 O SER A 58 12.283 -3.674 -6.230 1.00 0.00 O ATOM 885 CB SER A 58 14.057 -6.285 -5.418 1.00 0.00 C ATOM 886 OG SER A 58 15.234 -6.500 -4.649 1.00 0.00 O ATOM 0 H SER A 58 13.245 -6.501 -3.008 1.00 0.00 H new ATOM 0 HA SER A 58 14.168 -4.343 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.413 -7.164 -5.438 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.283 -6.032 -6.454 1.00 0.00 H new ATOM 0 HG SER A 58 15.217 -7.404 -4.270 1.00 0.00 H new ATOM 892 N LEU A 59 11.123 -5.301 -5.244 1.00 0.00 N ATOM 893 CA LEU A 59 9.799 -5.005 -5.876 1.00 0.00 C ATOM 894 C LEU A 59 9.489 -3.481 -5.738 1.00 0.00 C ATOM 895 O LEU A 59 9.124 -2.831 -6.701 1.00 0.00 O ATOM 896 CB LEU A 59 8.758 -5.907 -5.142 1.00 0.00 C ATOM 897 CG LEU A 59 7.623 -6.340 -6.086 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.686 -7.258 -5.307 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.807 -5.134 -6.530 1.00 0.00 C ATOM 0 H LEU A 59 11.098 -6.102 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 59 9.778 -5.223 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.257 -6.790 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.340 -5.366 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 59 8.054 -6.834 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.871 -7.580 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.238 -8.130 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.279 -6.720 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.009 -5.460 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.373 -4.647 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.453 -4.430 -7.055 1.00 0.00 H new ATOM 911 N SER A 60 9.614 -2.923 -4.552 1.00 0.00 N ATOM 912 CA SER A 60 9.315 -1.437 -4.460 1.00 0.00 C ATOM 913 C SER A 60 10.243 -0.444 -5.186 1.00 0.00 C ATOM 914 O SER A 60 11.446 -0.456 -5.024 1.00 0.00 O ATOM 915 CB SER A 60 9.298 -0.950 -3.023 1.00 0.00 C ATOM 916 OG SER A 60 10.148 -1.772 -2.226 1.00 0.00 O ATOM 0 H SER A 60 9.892 -3.390 -3.689 1.00 0.00 H new ATOM 0 HA SER A 60 8.351 -1.421 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.631 0.087 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.281 -0.976 -2.632 1.00 0.00 H new ATOM 0 HG SER A 60 10.893 -2.099 -2.773 1.00 0.00 H new ATOM 922 N HIS A 61 9.592 0.408 -5.938 1.00 0.00 N ATOM 923 CA HIS A 61 10.212 1.510 -6.782 1.00 0.00 C ATOM 924 C HIS A 61 11.702 1.886 -6.526 1.00 0.00 C ATOM 925 O HIS A 61 12.455 2.083 -7.454 1.00 0.00 O ATOM 926 CB HIS A 61 9.251 2.725 -6.608 1.00 0.00 C ATOM 927 CG HIS A 61 7.861 2.338 -7.131 1.00 0.00 C ATOM 928 ND1 HIS A 61 6.828 3.106 -7.106 1.00 0.00 N ATOM 929 CD2 HIS A 61 7.391 1.169 -7.709 1.00 0.00 C ATOM 930 CE1 HIS A 61 5.805 2.486 -7.617 1.00 0.00 C ATOM 931 NE2 HIS A 61 6.113 1.275 -8.004 1.00 0.00 N ATOM 0 H HIS A 61 8.575 0.389 -6.012 1.00 0.00 H new ATOM 0 HA HIS A 61 10.296 1.146 -7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.192 3.012 -5.558 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.632 3.588 -7.153 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.992 0.291 -7.892 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.820 2.919 -7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.506 0.577 -8.433 1.00 0.00 H new ATOM 939 N LYS A 62 12.018 1.982 -5.262 1.00 0.00 N ATOM 940 CA LYS A 62 13.360 2.312 -4.648 1.00 0.00 C ATOM 941 C LYS A 62 13.666 3.629 -3.933 1.00 0.00 C ATOM 942 O LYS A 62 14.056 3.530 -2.784 1.00 0.00 O ATOM 943 CB LYS A 62 14.538 2.150 -5.693 1.00 0.00 C ATOM 944 CG LYS A 62 14.795 0.656 -5.990 1.00 0.00 C ATOM 945 CD LYS A 62 15.790 -0.006 -4.959 1.00 0.00 C ATOM 946 CE LYS A 62 15.310 -0.029 -3.498 1.00 0.00 C ATOM 947 NZ LYS A 62 15.598 1.311 -2.869 1.00 0.00 N ATOM 0 H LYS A 62 11.313 1.826 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 62 13.283 1.583 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.288 2.673 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.445 2.611 -5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.847 0.118 -5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.200 0.554 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.985 -1.031 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.740 0.527 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.242 -0.244 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.817 -0.821 -2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.178 1.177 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.112 1.909 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.703 1.772 -2.609 1.00 0.00 H new ATOM 961 N GLN A 63 13.518 4.756 -4.568 1.00 0.00 N ATOM 962 CA GLN A 63 13.825 6.067 -3.887 1.00 0.00 C ATOM 963 C GLN A 63 12.655 7.104 -3.906 1.00 0.00 C ATOM 964 O GLN A 63 11.650 6.907 -4.561 1.00 0.00 O ATOM 965 CB GLN A 63 15.105 6.646 -4.587 1.00 0.00 C ATOM 966 CG GLN A 63 16.202 5.529 -4.819 1.00 0.00 C ATOM 967 CD GLN A 63 16.593 4.772 -3.557 1.00 0.00 C ATOM 968 OE1 GLN A 63 16.805 3.578 -3.564 1.00 0.00 O ATOM 969 NE2 GLN A 63 16.715 5.385 -2.437 1.00 0.00 N ATOM 0 H GLN A 63 13.197 4.838 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 63 13.984 5.876 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.828 7.088 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.524 7.446 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.831 4.817 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.093 5.992 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.546 6.390 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.981 4.868 -1.599 1.00 0.00 H new ATOM 978 N LEU A 64 12.819 8.175 -3.170 1.00 0.00 N ATOM 979 CA LEU A 64 11.789 9.274 -3.085 1.00 0.00 C ATOM 980 C LEU A 64 11.041 9.584 -4.424 1.00 0.00 C ATOM 981 O LEU A 64 11.655 9.906 -5.421 1.00 0.00 O ATOM 982 CB LEU A 64 12.522 10.556 -2.528 1.00 0.00 C ATOM 983 CG LEU A 64 13.591 11.170 -3.466 1.00 0.00 C ATOM 984 CD1 LEU A 64 13.997 12.521 -2.879 1.00 0.00 C ATOM 985 CD2 LEU A 64 14.860 10.324 -3.495 1.00 0.00 C ATOM 0 H LEU A 64 13.650 8.344 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 64 10.993 8.939 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.772 11.317 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.998 10.299 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 64 13.170 11.239 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.751 12.983 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 64 13.123 13.170 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.407 12.375 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.589 10.784 -4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.278 10.260 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.621 9.322 -3.853 1.00 0.00 H new ATOM 997 N LEU A 65 9.734 9.503 -4.446 1.00 0.00 N ATOM 998 CA LEU A 65 9.005 9.801 -5.739 1.00 0.00 C ATOM 999 C LEU A 65 8.818 11.348 -5.890 1.00 0.00 C ATOM 1000 O LEU A 65 7.734 11.906 -5.905 1.00 0.00 O ATOM 1001 CB LEU A 65 7.636 9.060 -5.696 1.00 0.00 C ATOM 1002 CG LEU A 65 7.208 8.518 -7.087 1.00 0.00 C ATOM 1003 CD1 LEU A 65 7.516 9.497 -8.237 1.00 0.00 C ATOM 1004 CD2 LEU A 65 7.977 7.229 -7.366 1.00 0.00 C ATOM 0 H LEU A 65 9.144 9.251 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 65 9.573 9.454 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.697 8.232 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.870 9.740 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 65 6.130 8.364 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.194 9.061 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.984 10.434 -8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.588 9.690 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.687 6.836 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.047 7.436 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.747 6.494 -6.595 1.00 0.00 H new ATOM 1016 N MET A 66 9.946 11.990 -5.996 1.00 0.00 N ATOM 1017 CA MET A 66 10.052 13.484 -6.145 1.00 0.00 C ATOM 1018 C MET A 66 9.381 14.076 -7.414 1.00 0.00 C ATOM 1019 O MET A 66 9.099 15.253 -7.490 1.00 0.00 O ATOM 1020 CB MET A 66 11.569 13.787 -6.089 1.00 0.00 C ATOM 1021 CG MET A 66 11.812 15.292 -5.856 1.00 0.00 C ATOM 1022 SD MET A 66 11.208 15.957 -4.284 1.00 0.00 S ATOM 1023 CE MET A 66 9.757 16.850 -4.895 1.00 0.00 C ATOM 0 H MET A 66 10.851 11.520 -5.986 1.00 0.00 H new ATOM 0 HA MET A 66 9.493 13.971 -5.346 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.032 13.210 -5.288 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.042 13.476 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.883 15.481 -5.921 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.341 15.846 -6.668 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.394 17.526 -4.121 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.029 17.424 -5.780 1.00 0.00 H new ATOM 0 HE3 MET A 66 8.973 16.138 -5.152 1.00 0.00 H new ATOM 1033 N SER A 67 9.135 13.245 -8.383 1.00 0.00 N ATOM 1034 CA SER A 67 8.489 13.685 -9.677 1.00 0.00 C ATOM 1035 C SER A 67 7.003 13.262 -9.870 1.00 0.00 C ATOM 1036 O SER A 67 6.730 12.333 -10.608 1.00 0.00 O ATOM 1037 CB SER A 67 9.349 13.121 -10.817 1.00 0.00 C ATOM 1038 OG SER A 67 9.334 11.715 -10.560 1.00 0.00 O ATOM 0 H SER A 67 9.356 12.250 -8.344 1.00 0.00 H new ATOM 0 HA SER A 67 8.450 14.774 -9.665 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.930 13.358 -11.795 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.361 13.525 -10.798 1.00 0.00 H new ATOM 0 HG SER A 67 8.408 11.410 -10.463 1.00 0.00 H new ATOM 1044 N PRO A 68 6.077 13.931 -9.219 1.00 0.00 N ATOM 1045 CA PRO A 68 4.608 13.728 -9.469 1.00 0.00 C ATOM 1046 C PRO A 68 4.158 14.216 -10.871 1.00 0.00 C ATOM 1047 O PRO A 68 4.901 14.835 -11.604 1.00 0.00 O ATOM 1048 CB PRO A 68 3.963 14.481 -8.296 1.00 0.00 C ATOM 1049 CG PRO A 68 4.950 15.668 -8.139 1.00 0.00 C ATOM 1050 CD PRO A 68 6.321 14.971 -8.177 1.00 0.00 C ATOM 0 HA PRO A 68 4.310 12.680 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.950 14.813 -8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.903 13.870 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.842 16.394 -8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.794 16.204 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.124 15.654 -8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.591 14.536 -7.214 1.00 0.00 H new ATOM 1058 N GLY A 69 2.939 13.906 -11.208 1.00 0.00 N ATOM 1059 CA GLY A 69 2.366 14.318 -12.549 1.00 0.00 C ATOM 1060 C GLY A 69 2.292 13.144 -13.518 1.00 0.00 C ATOM 1061 O GLY A 69 1.408 13.047 -14.340 1.00 0.00 O ATOM 0 H GLY A 69 2.297 13.380 -10.615 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.369 14.734 -12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.982 15.107 -12.980 1.00 0.00 H new ATOM 1065 N GLN A 70 3.249 12.273 -13.382 1.00 0.00 N ATOM 1066 CA GLN A 70 3.337 11.055 -14.258 1.00 0.00 C ATOM 1067 C GLN A 70 2.939 9.707 -13.580 1.00 0.00 C ATOM 1068 O GLN A 70 2.667 9.598 -12.395 1.00 0.00 O ATOM 1069 CB GLN A 70 4.797 11.013 -14.776 1.00 0.00 C ATOM 1070 CG GLN A 70 5.738 10.530 -13.612 1.00 0.00 C ATOM 1071 CD GLN A 70 7.204 10.747 -13.925 1.00 0.00 C ATOM 1072 OE1 GLN A 70 7.734 10.368 -14.939 1.00 0.00 O ATOM 1073 NE2 GLN A 70 7.925 11.363 -13.067 1.00 0.00 N ATOM 0 H GLN A 70 3.993 12.348 -12.689 1.00 0.00 H new ATOM 0 HA GLN A 70 2.602 11.149 -15.057 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.875 10.338 -15.628 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.102 12.000 -15.122 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.482 11.064 -12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.563 9.471 -13.423 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.509 11.698 -12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.916 11.520 -13.252 1.00 0.00 H new ATOM 1082 N SER A 71 2.933 8.703 -14.404 1.00 0.00 N ATOM 1083 CA SER A 71 2.579 7.304 -13.981 1.00 0.00 C ATOM 1084 C SER A 71 3.776 6.327 -14.038 1.00 0.00 C ATOM 1085 O SER A 71 4.537 6.309 -14.983 1.00 0.00 O ATOM 1086 CB SER A 71 1.441 6.854 -14.908 1.00 0.00 C ATOM 1087 OG SER A 71 0.452 7.883 -14.756 1.00 0.00 O ATOM 0 H SER A 71 3.167 8.788 -15.393 1.00 0.00 H new ATOM 0 HA SER A 71 2.274 7.298 -12.934 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.776 6.770 -15.942 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.051 5.878 -14.619 1.00 0.00 H new ATOM 0 HG SER A 71 -0.322 7.678 -15.321 1.00 0.00 H new ATOM 1093 N THR A 72 3.913 5.563 -12.993 1.00 0.00 N ATOM 1094 CA THR A 72 5.019 4.538 -12.861 1.00 0.00 C ATOM 1095 C THR A 72 4.459 3.115 -12.768 1.00 0.00 C ATOM 1096 O THR A 72 3.640 2.883 -11.903 1.00 0.00 O ATOM 1097 CB THR A 72 5.821 4.770 -11.580 1.00 0.00 C ATOM 1098 OG1 THR A 72 6.171 6.143 -11.565 1.00 0.00 O ATOM 1099 CG2 THR A 72 7.191 4.129 -11.652 1.00 0.00 C ATOM 0 H THR A 72 3.287 5.598 -12.188 1.00 0.00 H new ATOM 0 HA THR A 72 5.644 4.647 -13.748 1.00 0.00 H new ATOM 0 HB THR A 72 5.225 4.395 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.688 6.340 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.730 4.316 -10.723 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.083 3.054 -11.798 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.748 4.554 -12.487 1.00 0.00 H new ATOM 1107 N SER A 73 4.859 2.178 -13.576 1.00 0.00 N ATOM 1108 CA SER A 73 4.265 0.792 -13.438 1.00 0.00 C ATOM 1109 C SER A 73 5.076 -0.227 -12.632 1.00 0.00 C ATOM 1110 O SER A 73 6.289 -0.248 -12.603 1.00 0.00 O ATOM 1111 CB SER A 73 3.992 0.214 -14.860 1.00 0.00 C ATOM 1112 OG SER A 73 4.762 1.028 -15.735 1.00 0.00 O ATOM 0 H SER A 73 5.554 2.291 -14.314 1.00 0.00 H new ATOM 0 HA SER A 73 3.355 0.939 -12.857 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.291 -0.832 -14.926 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.932 0.258 -15.109 1.00 0.00 H new ATOM 0 HG SER A 73 4.273 1.856 -15.926 1.00 0.00 H new ATOM 1118 N THR A 74 4.337 -1.081 -11.988 1.00 0.00 N ATOM 1119 CA THR A 74 4.906 -2.181 -11.117 1.00 0.00 C ATOM 1120 C THR A 74 4.425 -3.551 -11.612 1.00 0.00 C ATOM 1121 O THR A 74 3.950 -4.365 -10.854 1.00 0.00 O ATOM 1122 CB THR A 74 4.437 -1.986 -9.634 1.00 0.00 C ATOM 1123 OG1 THR A 74 4.144 -0.606 -9.501 1.00 0.00 O ATOM 1124 CG2 THR A 74 5.583 -2.120 -8.659 1.00 0.00 C ATOM 0 H THR A 74 3.318 -1.073 -12.022 1.00 0.00 H new ATOM 0 HA THR A 74 5.994 -2.135 -11.170 1.00 0.00 H new ATOM 0 HB THR A 74 3.637 -2.701 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.207 -0.495 -9.235 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.215 -1.978 -7.643 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.024 -3.113 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.339 -1.366 -8.880 1.00 0.00 H new ATOM 1132 N THR A 75 4.559 -3.773 -12.889 1.00 0.00 N ATOM 1133 CA THR A 75 4.126 -5.089 -13.537 1.00 0.00 C ATOM 1134 C THR A 75 4.748 -6.307 -12.803 1.00 0.00 C ATOM 1135 O THR A 75 5.923 -6.257 -12.483 1.00 0.00 O ATOM 1136 CB THR A 75 4.574 -5.013 -15.043 1.00 0.00 C ATOM 1137 OG1 THR A 75 3.722 -5.819 -15.831 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.862 -5.737 -15.361 1.00 0.00 C ATOM 0 H THR A 75 4.956 -3.097 -13.542 1.00 0.00 H new ATOM 0 HA THR A 75 3.047 -5.227 -13.469 1.00 0.00 H new ATOM 0 HB THR A 75 4.609 -3.939 -15.228 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.255 -6.461 -15.256 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.088 -5.628 -16.422 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.674 -5.311 -14.771 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.754 -6.794 -15.120 1.00 0.00 H new ATOM 1146 N PHE A 76 4.018 -7.359 -12.539 1.00 0.00 N ATOM 1147 CA PHE A 76 4.653 -8.532 -11.823 1.00 0.00 C ATOM 1148 C PHE A 76 5.218 -9.665 -12.739 1.00 0.00 C ATOM 1149 O PHE A 76 4.884 -9.762 -13.902 1.00 0.00 O ATOM 1150 CB PHE A 76 3.589 -9.129 -10.849 1.00 0.00 C ATOM 1151 CG PHE A 76 3.396 -8.325 -9.551 1.00 0.00 C ATOM 1152 CD1 PHE A 76 3.854 -7.036 -9.386 1.00 0.00 C ATOM 1153 CD2 PHE A 76 2.730 -8.924 -8.504 1.00 0.00 C ATOM 1154 CE1 PHE A 76 3.654 -6.360 -8.201 1.00 0.00 C ATOM 1155 CE2 PHE A 76 2.526 -8.256 -7.315 1.00 0.00 C ATOM 1156 CZ PHE A 76 2.990 -6.969 -7.162 1.00 0.00 C ATOM 0 H PHE A 76 3.032 -7.467 -12.777 1.00 0.00 H new ATOM 0 HA PHE A 76 5.529 -8.138 -11.307 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.633 -9.192 -11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.880 -10.147 -10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.377 -6.549 -10.196 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.362 -9.933 -8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.020 -5.350 -8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.003 -8.742 -6.505 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.834 -6.441 -6.233 1.00 0.00 H new ATOM 1166 N PRO A 77 6.074 -10.507 -12.193 1.00 0.00 N ATOM 1167 CA PRO A 77 6.713 -11.626 -12.949 1.00 0.00 C ATOM 1168 C PRO A 77 6.035 -13.006 -12.720 1.00 0.00 C ATOM 1169 O PRO A 77 4.954 -13.098 -12.175 1.00 0.00 O ATOM 1170 CB PRO A 77 8.131 -11.513 -12.443 1.00 0.00 C ATOM 1171 CG PRO A 77 7.887 -11.325 -10.908 1.00 0.00 C ATOM 1172 CD PRO A 77 6.582 -10.481 -10.786 1.00 0.00 C ATOM 0 HA PRO A 77 6.630 -11.556 -14.034 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.719 -12.405 -12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.660 -10.667 -12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.778 -12.288 -10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.728 -10.815 -10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.873 -10.922 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.781 -9.466 -10.441 1.00 0.00 H new ATOM 1180 N ALA A 78 6.693 -14.051 -13.140 1.00 0.00 N ATOM 1181 CA ALA A 78 6.136 -15.438 -12.967 1.00 0.00 C ATOM 1182 C ALA A 78 6.040 -15.746 -11.442 1.00 0.00 C ATOM 1183 O ALA A 78 5.243 -16.533 -10.966 1.00 0.00 O ATOM 1184 CB ALA A 78 7.102 -16.386 -13.708 1.00 0.00 C ATOM 0 H ALA A 78 7.602 -14.011 -13.601 1.00 0.00 H new ATOM 0 HA ALA A 78 5.133 -15.556 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.747 -17.412 -13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.146 -16.110 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.097 -16.306 -13.270 1.00 0.00 H new ATOM 1190 N ASP A 79 6.890 -15.062 -10.746 1.00 0.00 N ATOM 1191 CA ASP A 79 7.051 -15.129 -9.270 1.00 0.00 C ATOM 1192 C ASP A 79 5.936 -14.259 -8.576 1.00 0.00 C ATOM 1193 O ASP A 79 6.142 -13.529 -7.623 1.00 0.00 O ATOM 1194 CB ASP A 79 8.524 -14.628 -9.024 1.00 0.00 C ATOM 1195 CG ASP A 79 9.475 -14.956 -10.170 1.00 0.00 C ATOM 1196 OD1 ASP A 79 9.378 -14.250 -11.164 1.00 0.00 O ATOM 1197 OD2 ASP A 79 10.228 -15.886 -9.985 1.00 0.00 O ATOM 0 H ASP A 79 7.535 -14.402 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 79 6.922 -16.122 -8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.512 -13.549 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.904 -15.077 -8.106 1.00 0.00 H new ATOM 1202 N ALA A 80 4.750 -14.386 -9.101 1.00 0.00 N ATOM 1203 CA ALA A 80 3.541 -13.647 -8.597 1.00 0.00 C ATOM 1204 C ALA A 80 2.406 -14.576 -8.035 1.00 0.00 C ATOM 1205 O ALA A 80 1.311 -14.611 -8.566 1.00 0.00 O ATOM 1206 CB ALA A 80 3.077 -12.796 -9.798 1.00 0.00 C ATOM 0 H ALA A 80 4.554 -14.997 -9.894 1.00 0.00 H new ATOM 0 HA ALA A 80 3.793 -13.037 -7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.194 -12.221 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.876 -12.115 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.833 -13.450 -10.635 1.00 0.00 H new ATOM 1212 N PRO A 81 2.674 -15.310 -6.976 1.00 0.00 N ATOM 1213 CA PRO A 81 1.653 -16.231 -6.374 1.00 0.00 C ATOM 1214 C PRO A 81 0.390 -15.478 -5.852 1.00 0.00 C ATOM 1215 O PRO A 81 0.386 -14.266 -5.752 1.00 0.00 O ATOM 1216 CB PRO A 81 2.468 -16.956 -5.284 1.00 0.00 C ATOM 1217 CG PRO A 81 3.495 -15.857 -4.877 1.00 0.00 C ATOM 1218 CD PRO A 81 3.967 -15.320 -6.235 1.00 0.00 C ATOM 0 HA PRO A 81 1.209 -16.927 -7.086 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.845 -17.266 -4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.957 -17.852 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.035 -15.077 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.320 -16.268 -4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.411 -14.327 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.710 -15.966 -6.703 1.00 0.00 H new ATOM 1226 N ALA A 82 -0.644 -16.196 -5.516 1.00 0.00 N ATOM 1227 CA ALA A 82 -1.875 -15.507 -5.013 1.00 0.00 C ATOM 1228 C ALA A 82 -1.725 -15.022 -3.544 1.00 0.00 C ATOM 1229 O ALA A 82 -0.900 -15.510 -2.794 1.00 0.00 O ATOM 1230 CB ALA A 82 -3.028 -16.527 -5.200 1.00 0.00 C ATOM 0 H ALA A 82 -0.696 -17.214 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.074 -14.591 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.963 -16.088 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.119 -16.783 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.814 -17.428 -4.625 1.00 0.00 H new ATOM 1236 N GLY A 83 -2.530 -14.065 -3.159 1.00 0.00 N ATOM 1237 CA GLY A 83 -2.453 -13.527 -1.745 1.00 0.00 C ATOM 1238 C GLY A 83 -2.049 -12.052 -1.576 1.00 0.00 C ATOM 1239 O GLY A 83 -1.936 -11.293 -2.515 1.00 0.00 O ATOM 0 H GLY A 83 -3.237 -13.628 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.427 -13.666 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.742 -14.138 -1.189 1.00 0.00 H new ATOM 1243 N GLU A 84 -1.856 -11.759 -0.327 1.00 0.00 N ATOM 1244 CA GLU A 84 -1.461 -10.426 0.253 1.00 0.00 C ATOM 1245 C GLU A 84 -0.108 -9.671 0.012 1.00 0.00 C ATOM 1246 O GLU A 84 0.862 -9.879 0.714 1.00 0.00 O ATOM 1247 CB GLU A 84 -1.706 -10.626 1.774 1.00 0.00 C ATOM 1248 CG GLU A 84 -3.205 -10.332 2.085 1.00 0.00 C ATOM 1249 CD GLU A 84 -3.387 -8.841 2.191 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -3.164 -8.351 3.278 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -3.716 -8.221 1.200 1.00 0.00 O ATOM 0 H GLU A 84 -1.968 -12.466 0.400 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.049 -9.719 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.453 -11.645 2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.063 -9.960 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.842 -10.736 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.501 -10.817 3.015 1.00 0.00 H new ATOM 1258 N TYR A 85 -0.057 -8.809 -0.971 1.00 0.00 N ATOM 1259 CA TYR A 85 1.198 -8.019 -1.271 1.00 0.00 C ATOM 1260 C TYR A 85 0.974 -6.536 -0.849 1.00 0.00 C ATOM 1261 O TYR A 85 0.054 -5.915 -1.344 1.00 0.00 O ATOM 1262 CB TYR A 85 1.538 -7.938 -2.771 1.00 0.00 C ATOM 1263 CG TYR A 85 1.818 -9.246 -3.494 1.00 0.00 C ATOM 1264 CD1 TYR A 85 0.848 -10.214 -3.625 1.00 0.00 C ATOM 1265 CD2 TYR A 85 3.062 -9.452 -4.056 1.00 0.00 C ATOM 1266 CE1 TYR A 85 1.122 -11.376 -4.316 1.00 0.00 C ATOM 1267 CE2 TYR A 85 3.324 -10.618 -4.744 1.00 0.00 C ATOM 1268 CZ TYR A 85 2.358 -11.572 -4.873 1.00 0.00 C ATOM 1269 OH TYR A 85 2.633 -12.714 -5.571 1.00 0.00 O ATOM 0 H TYR A 85 -0.840 -8.609 -1.594 1.00 0.00 H new ATOM 0 HA TYR A 85 1.997 -8.531 -0.735 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.710 -7.443 -3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.411 -7.296 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.128 -10.064 -3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.830 -8.700 -3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.359 -12.134 -4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.298 -10.776 -5.182 1.00 0.00 H new ATOM 0 HH TYR A 85 1.824 -13.264 -5.630 1.00 0.00 H new ATOM 1279 N THR A 86 1.764 -5.977 0.023 1.00 0.00 N ATOM 1280 CA THR A 86 1.530 -4.523 0.414 1.00 0.00 C ATOM 1281 C THR A 86 2.677 -3.540 0.154 1.00 0.00 C ATOM 1282 O THR A 86 3.835 -3.833 0.361 1.00 0.00 O ATOM 1283 CB THR A 86 1.138 -4.472 1.922 1.00 0.00 C ATOM 1284 OG1 THR A 86 -0.272 -4.359 1.867 1.00 0.00 O ATOM 1285 CG2 THR A 86 1.423 -3.158 2.620 1.00 0.00 C ATOM 0 H THR A 86 2.550 -6.436 0.484 1.00 0.00 H new ATOM 0 HA THR A 86 0.735 -4.180 -0.248 1.00 0.00 H new ATOM 0 HB THR A 86 1.643 -5.302 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.520 -3.665 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.115 -3.226 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.491 -2.944 2.570 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.869 -2.358 2.129 1.00 0.00 H new ATOM 1293 N PHE A 87 2.274 -2.387 -0.309 1.00 0.00 N ATOM 1294 CA PHE A 87 3.180 -1.248 -0.650 1.00 0.00 C ATOM 1295 C PHE A 87 2.975 0.083 0.134 1.00 0.00 C ATOM 1296 O PHE A 87 1.954 0.727 0.000 1.00 0.00 O ATOM 1297 CB PHE A 87 3.053 -0.963 -2.187 1.00 0.00 C ATOM 1298 CG PHE A 87 1.716 -1.423 -2.758 1.00 0.00 C ATOM 1299 CD1 PHE A 87 1.443 -2.767 -2.827 1.00 0.00 C ATOM 1300 CD2 PHE A 87 0.777 -0.525 -3.197 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.252 -3.218 -3.320 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.424 -0.971 -3.697 1.00 0.00 C ATOM 1303 CZ PHE A 87 -0.694 -2.321 -3.761 1.00 0.00 C ATOM 0 H PHE A 87 1.290 -2.177 -0.474 1.00 0.00 H new ATOM 0 HA PHE A 87 4.173 -1.580 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.173 0.106 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.863 -1.467 -2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.181 -3.478 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.981 0.534 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.052 -4.279 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.160 -0.259 -4.041 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.638 -2.671 -4.153 1.00 0.00 H new ATOM 1313 N TYR A 88 3.913 0.467 0.944 1.00 0.00 N ATOM 1314 CA TYR A 88 3.817 1.734 1.741 1.00 0.00 C ATOM 1315 C TYR A 88 4.932 2.788 1.490 1.00 0.00 C ATOM 1316 O TYR A 88 6.069 2.404 1.354 1.00 0.00 O ATOM 1317 CB TYR A 88 3.800 1.299 3.228 1.00 0.00 C ATOM 1318 CG TYR A 88 4.914 0.275 3.473 1.00 0.00 C ATOM 1319 CD1 TYR A 88 6.235 0.635 3.609 1.00 0.00 C ATOM 1320 CD2 TYR A 88 4.584 -1.052 3.545 1.00 0.00 C ATOM 1321 CE1 TYR A 88 7.207 -0.328 3.815 1.00 0.00 C ATOM 1322 CE2 TYR A 88 5.553 -2.005 3.750 1.00 0.00 C ATOM 1323 CZ TYR A 88 6.870 -1.657 3.889 1.00 0.00 C ATOM 1324 OH TYR A 88 7.807 -2.645 4.115 1.00 0.00 O ATOM 0 H TYR A 88 4.775 -0.057 1.098 1.00 0.00 H new ATOM 0 HA TYR A 88 2.914 2.259 1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.940 2.166 3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.832 0.867 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.515 1.677 3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.552 -1.353 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.240 -0.032 3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.271 -3.046 3.802 1.00 0.00 H new ATOM 0 HH TYR A 88 7.374 -3.417 4.536 1.00 0.00 H new ATOM 1334 N CYS A 89 4.673 4.067 1.421 1.00 0.00 N ATOM 1335 CA CYS A 89 5.850 5.005 1.187 1.00 0.00 C ATOM 1336 C CYS A 89 6.314 5.502 2.593 1.00 0.00 C ATOM 1337 O CYS A 89 5.674 5.203 3.585 1.00 0.00 O ATOM 1338 CB CYS A 89 5.451 6.277 0.320 1.00 0.00 C ATOM 1339 SG CYS A 89 3.989 6.382 -0.747 1.00 0.00 S ATOM 0 H CYS A 89 3.755 4.502 1.509 1.00 0.00 H new ATOM 0 HA CYS A 89 6.627 4.468 0.643 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.371 7.107 1.022 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.307 6.484 -0.322 1.00 0.00 H new ATOM 1344 N GLU A 90 7.384 6.232 2.665 1.00 0.00 N ATOM 1345 CA GLU A 90 7.878 6.750 3.989 1.00 0.00 C ATOM 1346 C GLU A 90 7.741 8.315 4.030 1.00 0.00 C ATOM 1347 O GLU A 90 6.954 8.813 4.823 1.00 0.00 O ATOM 1348 CB GLU A 90 9.320 6.174 4.094 1.00 0.00 C ATOM 1349 CG GLU A 90 10.196 6.970 5.121 1.00 0.00 C ATOM 1350 CD GLU A 90 11.662 6.811 4.752 1.00 0.00 C ATOM 1351 OE1 GLU A 90 12.165 5.736 5.011 1.00 0.00 O ATOM 1352 OE2 GLU A 90 12.151 7.793 4.224 1.00 0.00 O ATOM 0 H GLU A 90 7.952 6.501 1.862 1.00 0.00 H new ATOM 0 HA GLU A 90 7.309 6.437 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.271 5.127 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.795 6.203 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.919 8.024 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.020 6.600 6.131 1.00 0.00 H new ATOM 1359 N PRO A 91 8.428 9.096 3.220 1.00 0.00 N ATOM 1360 CA PRO A 91 7.841 10.360 2.685 1.00 0.00 C ATOM 1361 C PRO A 91 6.297 10.357 2.433 1.00 0.00 C ATOM 1362 O PRO A 91 5.851 10.110 1.331 1.00 0.00 O ATOM 1363 CB PRO A 91 8.719 10.627 1.418 1.00 0.00 C ATOM 1364 CG PRO A 91 9.588 9.345 1.259 1.00 0.00 C ATOM 1365 CD PRO A 91 9.810 8.895 2.697 1.00 0.00 C ATOM 0 HA PRO A 91 7.880 11.168 3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.100 10.797 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.341 11.513 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.076 8.582 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.530 9.557 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.140 7.859 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.550 9.502 3.219 1.00 0.00 H new ATOM 1373 N HIS A 92 5.576 10.622 3.500 1.00 0.00 N ATOM 1374 CA HIS A 92 4.051 10.706 3.611 1.00 0.00 C ATOM 1375 C HIS A 92 3.417 9.925 4.820 1.00 0.00 C ATOM 1376 O HIS A 92 2.220 9.962 5.016 1.00 0.00 O ATOM 1377 CB HIS A 92 3.332 10.170 2.272 1.00 0.00 C ATOM 1378 CG HIS A 92 3.337 8.645 2.238 1.00 0.00 C ATOM 1379 ND1 HIS A 92 2.607 7.924 1.401 1.00 0.00 N ATOM 1380 CD2 HIS A 92 4.032 7.835 3.089 1.00 0.00 C ATOM 1381 CE1 HIS A 92 2.864 6.689 1.776 1.00 0.00 C ATOM 1382 NE2 HIS A 92 3.690 6.644 2.753 1.00 0.00 N ATOM 0 H HIS A 92 6.024 10.804 4.398 1.00 0.00 H new ATOM 0 HA HIS A 92 3.875 11.769 3.773 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.307 10.537 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.846 10.561 1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.717 8.130 3.870 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.429 5.815 1.313 1.00 0.00 H new ATOM 0 HE2 HIS A 92 4.026 5.790 3.198 1.00 0.00 H new ATOM 1390 N ARG A 93 4.226 9.248 5.599 1.00 0.00 N ATOM 1391 CA ARG A 93 3.779 8.432 6.792 1.00 0.00 C ATOM 1392 C ARG A 93 3.027 9.101 8.004 1.00 0.00 C ATOM 1393 O ARG A 93 3.400 8.967 9.159 1.00 0.00 O ATOM 1394 CB ARG A 93 5.076 7.703 7.254 1.00 0.00 C ATOM 1395 CG ARG A 93 4.714 6.594 8.281 1.00 0.00 C ATOM 1396 CD ARG A 93 5.821 6.487 9.318 1.00 0.00 C ATOM 1397 NE ARG A 93 5.092 6.037 10.558 1.00 0.00 N ATOM 1398 CZ ARG A 93 5.047 6.757 11.596 1.00 0.00 C ATOM 1399 NH1 ARG A 93 4.480 7.873 11.531 1.00 0.00 N ATOM 1400 NH2 ARG A 93 5.578 6.304 12.636 1.00 0.00 N ATOM 0 H ARG A 93 5.235 9.223 5.453 1.00 0.00 H new ATOM 0 HA ARG A 93 2.958 7.806 6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.585 7.265 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.766 8.417 7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.767 6.828 8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.584 5.639 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.585 5.770 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.323 7.442 9.471 1.00 0.00 H new ATOM 0 HE ARG A 93 4.624 5.131 10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.066 8.184 10.652 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.432 8.470 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.024 5.387 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.564 6.852 13.496 1.00 0.00 H new ATOM 1414 N GLY A 94 1.978 9.794 7.677 1.00 0.00 N ATOM 1415 CA GLY A 94 1.085 10.524 8.658 1.00 0.00 C ATOM 1416 C GLY A 94 -0.379 10.172 8.381 1.00 0.00 C ATOM 1417 O GLY A 94 -1.162 9.887 9.257 1.00 0.00 O ATOM 0 H GLY A 94 1.673 9.898 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.349 10.249 9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.234 11.600 8.569 1.00 0.00 H new ATOM 1421 N ALA A 95 -0.693 10.192 7.119 1.00 0.00 N ATOM 1422 CA ALA A 95 -2.074 9.882 6.624 1.00 0.00 C ATOM 1423 C ALA A 95 -2.151 8.511 5.868 1.00 0.00 C ATOM 1424 O ALA A 95 -2.327 8.441 4.673 1.00 0.00 O ATOM 1425 CB ALA A 95 -2.435 11.098 5.754 1.00 0.00 C ATOM 0 H ALA A 95 -0.029 10.418 6.378 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.792 9.744 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.436 10.967 5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.409 12.002 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.716 11.189 4.939 1.00 0.00 H new ATOM 1431 N GLY A 96 -2.000 7.470 6.643 1.00 0.00 N ATOM 1432 CA GLY A 96 -2.026 6.012 6.191 1.00 0.00 C ATOM 1433 C GLY A 96 -2.034 5.621 4.700 1.00 0.00 C ATOM 1434 O GLY A 96 -2.807 4.784 4.283 1.00 0.00 O ATOM 0 H GLY A 96 -1.848 7.564 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.158 5.528 6.639 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.910 5.559 6.640 1.00 0.00 H new ATOM 1438 N MET A 97 -1.171 6.204 3.925 1.00 0.00 N ATOM 1439 CA MET A 97 -1.124 5.862 2.456 1.00 0.00 C ATOM 1440 C MET A 97 -0.410 4.503 2.154 1.00 0.00 C ATOM 1441 O MET A 97 0.708 4.422 1.669 1.00 0.00 O ATOM 1442 CB MET A 97 -0.415 7.023 1.731 1.00 0.00 C ATOM 1443 CG MET A 97 -0.474 6.782 0.185 1.00 0.00 C ATOM 1444 SD MET A 97 0.552 7.819 -0.884 1.00 0.00 S ATOM 1445 CE MET A 97 -0.618 9.184 -1.070 1.00 0.00 C ATOM 0 H MET A 97 -0.493 6.902 4.230 1.00 0.00 H new ATOM 0 HA MET A 97 -2.146 5.734 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.894 7.970 1.981 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.622 7.093 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.202 5.743 -0.000 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.510 6.902 -0.131 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.308 9.819 -1.900 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.613 8.786 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.640 9.772 -0.152 1.00 0.00 H new ATOM 1455 N VAL A 98 -1.106 3.457 2.485 1.00 0.00 N ATOM 1456 CA VAL A 98 -0.596 2.059 2.265 1.00 0.00 C ATOM 1457 C VAL A 98 -1.467 1.328 1.213 1.00 0.00 C ATOM 1458 O VAL A 98 -2.678 1.431 1.246 1.00 0.00 O ATOM 1459 CB VAL A 98 -0.644 1.318 3.623 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.091 -0.107 3.470 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.223 2.046 4.660 1.00 0.00 C ATOM 0 H VAL A 98 -2.032 3.503 2.910 1.00 0.00 H new ATOM 0 HA VAL A 98 0.426 2.082 1.887 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.683 1.290 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.130 -0.618 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.692 -0.654 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.942 -0.061 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.179 1.513 5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.255 2.081 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.149 3.062 4.796 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.852 0.618 0.304 1.00 0.00 N ATOM 1472 CA GLY A 99 -1.645 -0.124 -0.749 1.00 0.00 C ATOM 1473 C GLY A 99 -1.563 -1.649 -0.627 1.00 0.00 C ATOM 1474 O GLY A 99 -0.633 -2.218 -0.077 1.00 0.00 O ATOM 0 H GLY A 99 0.160 0.513 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.690 0.180 -0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.287 0.172 -1.735 1.00 0.00 H new ATOM 1478 N LYS A 100 -2.569 -2.293 -1.141 1.00 0.00 N ATOM 1479 CA LYS A 100 -2.652 -3.788 -1.110 1.00 0.00 C ATOM 1480 C LYS A 100 -3.073 -4.501 -2.427 1.00 0.00 C ATOM 1481 O LYS A 100 -4.084 -4.194 -3.019 1.00 0.00 O ATOM 1482 CB LYS A 100 -3.645 -4.174 0.020 1.00 0.00 C ATOM 1483 CG LYS A 100 -3.245 -3.479 1.347 1.00 0.00 C ATOM 1484 CD LYS A 100 -3.934 -4.127 2.581 1.00 0.00 C ATOM 1485 CE LYS A 100 -3.865 -5.659 2.587 1.00 0.00 C ATOM 1486 NZ LYS A 100 -2.471 -6.109 2.311 1.00 0.00 N ATOM 0 H LYS A 100 -3.361 -1.838 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.632 -4.136 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.657 -3.883 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.651 -5.256 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.163 -3.529 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.512 -2.423 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.466 -3.747 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.979 -3.818 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.195 -6.042 3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.542 -6.064 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.412 -6.483 1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.820 -5.304 2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.207 -6.854 2.987 1.00 0.00 H new ATOM 1500 N ILE A 101 -2.266 -5.432 -2.832 1.00 0.00 N ATOM 1501 CA ILE A 101 -2.478 -6.267 -4.062 1.00 0.00 C ATOM 1502 C ILE A 101 -2.831 -7.693 -3.544 1.00 0.00 C ATOM 1503 O ILE A 101 -2.062 -8.307 -2.831 1.00 0.00 O ATOM 1504 CB ILE A 101 -1.138 -6.299 -4.951 1.00 0.00 C ATOM 1505 CG1 ILE A 101 -1.336 -5.462 -6.254 1.00 0.00 C ATOM 1506 CG2 ILE A 101 -0.756 -7.749 -5.354 1.00 0.00 C ATOM 1507 CD1 ILE A 101 -0.107 -5.592 -7.242 1.00 0.00 C ATOM 0 H ILE A 101 -1.409 -5.669 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.269 -5.866 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.338 -5.875 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.243 -5.791 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.480 -4.414 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.154 -7.732 -5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.588 -8.344 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.566 -8.190 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.292 -4.992 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.797 -5.237 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.021 -6.636 -7.527 1.00 0.00 H new ATOM 1519 N THR A 102 -3.976 -8.177 -3.893 1.00 0.00 N ATOM 1520 CA THR A 102 -4.446 -9.550 -3.475 1.00 0.00 C ATOM 1521 C THR A 102 -4.509 -10.442 -4.715 1.00 0.00 C ATOM 1522 O THR A 102 -5.564 -10.721 -5.251 1.00 0.00 O ATOM 1523 CB THR A 102 -5.853 -9.450 -2.806 1.00 0.00 C ATOM 1524 OG1 THR A 102 -6.476 -8.268 -3.289 1.00 0.00 O ATOM 1525 CG2 THR A 102 -5.709 -9.099 -1.357 1.00 0.00 C ATOM 0 H THR A 102 -4.645 -7.671 -4.474 1.00 0.00 H new ATOM 0 HA THR A 102 -3.753 -9.978 -2.751 1.00 0.00 H new ATOM 0 HB THR A 102 -6.376 -10.388 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.404 -8.464 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.696 -9.032 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.127 -9.870 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.200 -8.140 -1.264 1.00 0.00 H new ATOM 1533 N VAL A 103 -3.364 -10.887 -5.163 1.00 0.00 N ATOM 1534 CA VAL A 103 -3.320 -11.762 -6.392 1.00 0.00 C ATOM 1535 C VAL A 103 -4.216 -13.029 -6.396 1.00 0.00 C ATOM 1536 O VAL A 103 -4.265 -13.754 -5.421 1.00 0.00 O ATOM 1537 CB VAL A 103 -1.832 -12.171 -6.627 1.00 0.00 C ATOM 1538 CG1 VAL A 103 -1.732 -13.218 -7.747 1.00 0.00 C ATOM 1539 CG2 VAL A 103 -1.014 -11.012 -7.135 1.00 0.00 C ATOM 0 H VAL A 103 -2.457 -10.689 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.741 -11.156 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.470 -12.538 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.688 -13.491 -7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.303 -14.104 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.135 -12.802 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.016 -11.333 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.428 -10.661 -8.080 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.038 -10.202 -6.405 1.00 0.00 H new ATOM 1549 N ALA A 104 -4.887 -13.220 -7.501 1.00 0.00 N ATOM 1550 CA ALA A 104 -5.807 -14.383 -7.737 1.00 0.00 C ATOM 1551 C ALA A 104 -5.534 -15.212 -9.060 1.00 0.00 C ATOM 1552 O ALA A 104 -4.875 -16.233 -9.012 1.00 0.00 O ATOM 1553 CB ALA A 104 -7.225 -13.757 -7.688 1.00 0.00 C ATOM 0 H ALA A 104 -4.833 -12.582 -8.295 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.655 -15.152 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.972 -14.534 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.386 -13.298 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -7.315 -12.999 -8.466 1.00 0.00 H new ATOM 1559 N GLY A 105 -6.044 -14.751 -10.176 1.00 0.00 N ATOM 1560 CA GLY A 105 -5.892 -15.407 -11.542 1.00 0.00 C ATOM 1561 C GLY A 105 -5.844 -14.361 -12.668 1.00 0.00 C ATOM 1562 O GLY A 105 -5.114 -14.483 -13.636 1.00 0.00 O ATOM 1563 OXT GLY A 105 -6.593 -13.428 -12.506 1.00 0.00 O ATOM 0 H GLY A 105 -6.596 -13.894 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.981 -16.005 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.724 -16.090 -11.713 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 2.516 8.217 -0.334 1.00 0.00 CU