USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 627 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 52 ASN : amide:sc= -2.97! K(o=-3!,f=-0.43) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -70:sc= -0.795! USER MOD Set 2.2: A 32 ASN : amide:sc= 0.417 K(o=-0.38,f=-0.94) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.2) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0442) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 97:sc= -6.08! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0152 (180deg=-0.166) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= -0.0643 (180deg=-0.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -163:sc= -2.53 (180deg=-4.33!) USER MOD Single : A 49 ASN : amide:sc= -0.0559 K(o=-0.056,f=-0.93) USER MOD Single : A 50 ASN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.58) USER MOD Single : A 59 TYR OH : rot 12:sc= 1.3 USER MOD Single : A 61 THR OG1 : rot 77:sc= 0.613 USER MOD Single : A 62 LYS NZ :NH3+ -149:sc= -0.512 (180deg=-1.03) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 104:sc= 1.13 USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -0.0088 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.207 -16.324 13.241 1.00 0.00 N ATOM 2 CA GLY A 1 23.951 -16.716 14.423 1.00 0.00 C ATOM 3 C GLY A 1 23.067 -17.340 15.484 1.00 0.00 C ATOM 4 O GLY A 1 22.362 -18.313 15.221 1.00 0.00 O ATOM 0 H1 GLY A 1 23.856 -15.903 12.546 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.750 -17.161 12.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.481 -15.627 13.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.729 -17.425 14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.452 -15.842 14.840 1.00 0.00 H new ATOM 8 N SER A 2 23.106 -16.779 16.689 1.00 0.00 N ATOM 9 CA SER A 2 22.307 -17.290 17.796 1.00 0.00 C ATOM 10 C SER A 2 20.847 -17.451 17.383 1.00 0.00 C ATOM 11 O SER A 2 20.288 -16.599 16.692 1.00 0.00 O ATOM 12 CB SER A 2 22.407 -16.353 19.001 1.00 0.00 C ATOM 13 OG SER A 2 23.735 -16.295 19.493 1.00 0.00 O ATOM 0 H SER A 2 23.682 -15.971 16.923 1.00 0.00 H new ATOM 0 HA SER A 2 22.699 -18.269 18.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.077 -15.354 18.717 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.738 -16.697 19.790 1.00 0.00 H new ATOM 0 HG SER A 2 23.773 -15.688 20.262 1.00 0.00 H new ATOM 19 N SER A 3 20.235 -18.550 17.812 1.00 0.00 N ATOM 20 CA SER A 3 18.841 -18.826 17.484 1.00 0.00 C ATOM 21 C SER A 3 17.939 -18.575 18.689 1.00 0.00 C ATOM 22 O SER A 3 18.220 -19.035 19.795 1.00 0.00 O ATOM 23 CB SER A 3 18.683 -20.271 17.008 1.00 0.00 C ATOM 24 OG SER A 3 19.549 -20.547 15.920 1.00 0.00 O ATOM 0 H SER A 3 20.682 -19.264 18.387 1.00 0.00 H new ATOM 0 HA SER A 3 18.543 -18.152 16.681 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.898 -20.954 17.830 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.650 -20.448 16.709 1.00 0.00 H new ATOM 0 HG SER A 3 19.430 -21.477 15.635 1.00 0.00 H new ATOM 30 N GLY A 4 16.854 -17.841 18.465 1.00 0.00 N ATOM 31 CA GLY A 4 15.927 -17.540 19.541 1.00 0.00 C ATOM 32 C GLY A 4 14.528 -18.053 19.261 1.00 0.00 C ATOM 33 O GLY A 4 14.350 -19.203 18.859 1.00 0.00 O ATOM 0 H GLY A 4 16.600 -17.449 17.558 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.294 -17.982 20.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.891 -16.461 19.695 1.00 0.00 H new ATOM 37 N SER A 5 13.532 -17.199 19.477 1.00 0.00 N ATOM 38 CA SER A 5 12.141 -17.575 19.250 1.00 0.00 C ATOM 39 C SER A 5 11.568 -16.834 18.046 1.00 0.00 C ATOM 40 O SER A 5 11.572 -15.604 18.001 1.00 0.00 O ATOM 41 CB SER A 5 11.302 -17.277 20.494 1.00 0.00 C ATOM 42 OG SER A 5 11.850 -17.903 21.641 1.00 0.00 O ATOM 0 H SER A 5 13.662 -16.243 19.809 1.00 0.00 H new ATOM 0 HA SER A 5 12.107 -18.645 19.045 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.252 -16.200 20.653 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.281 -17.625 20.339 1.00 0.00 H new ATOM 0 HG SER A 5 11.297 -17.696 22.423 1.00 0.00 H new ATOM 48 N SER A 6 11.075 -17.593 17.072 1.00 0.00 N ATOM 49 CA SER A 6 10.501 -17.010 15.865 1.00 0.00 C ATOM 50 C SER A 6 9.279 -17.800 15.408 1.00 0.00 C ATOM 51 O SER A 6 9.175 -19.001 15.655 1.00 0.00 O ATOM 52 CB SER A 6 11.544 -16.970 14.747 1.00 0.00 C ATOM 53 OG SER A 6 11.137 -16.107 13.699 1.00 0.00 O ATOM 0 H SER A 6 11.062 -18.613 17.095 1.00 0.00 H new ATOM 0 HA SER A 6 10.188 -15.992 16.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.500 -16.633 15.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.700 -17.975 14.355 1.00 0.00 H new ATOM 0 HG SER A 6 11.822 -16.098 12.998 1.00 0.00 H new ATOM 59 N GLY A 7 8.355 -17.116 14.740 1.00 0.00 N ATOM 60 CA GLY A 7 7.152 -17.769 14.259 1.00 0.00 C ATOM 61 C GLY A 7 6.483 -16.999 13.138 1.00 0.00 C ATOM 62 O GLY A 7 6.901 -15.892 12.801 1.00 0.00 O ATOM 0 H GLY A 7 8.418 -16.121 14.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.401 -18.771 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.450 -17.885 15.085 1.00 0.00 H new ATOM 66 N ASN A 8 5.442 -17.587 12.557 1.00 0.00 N ATOM 67 CA ASN A 8 4.715 -16.950 11.465 1.00 0.00 C ATOM 68 C ASN A 8 3.270 -16.667 11.865 1.00 0.00 C ATOM 69 O ASN A 8 2.459 -17.584 11.989 1.00 0.00 O ATOM 70 CB ASN A 8 4.747 -17.836 10.218 1.00 0.00 C ATOM 71 CG ASN A 8 4.653 -17.032 8.935 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.294 -15.855 8.952 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.977 -17.667 7.815 1.00 0.00 N ATOM 0 H ASN A 8 5.083 -18.504 12.824 1.00 0.00 H new ATOM 0 HA ASN A 8 5.203 -16.002 11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.669 -18.418 10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.922 -18.547 10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.934 -17.178 6.921 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.269 -18.644 7.849 1.00 0.00 H new ATOM 80 N ALA A 9 2.957 -15.391 12.066 1.00 0.00 N ATOM 81 CA ALA A 9 1.610 -14.987 12.449 1.00 0.00 C ATOM 82 C ALA A 9 1.157 -13.765 11.657 1.00 0.00 C ATOM 83 O ALA A 9 1.958 -12.910 11.278 1.00 0.00 O ATOM 84 CB ALA A 9 1.549 -14.704 13.943 1.00 0.00 C ATOM 0 H ALA A 9 3.618 -14.620 11.970 1.00 0.00 H new ATOM 0 HA ALA A 9 0.931 -15.808 12.218 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.537 -14.403 14.215 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.821 -15.604 14.495 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.245 -13.902 14.190 1.00 0.00 H new ATOM 90 N PRO A 10 -0.157 -13.678 11.401 1.00 0.00 N ATOM 91 CA PRO A 10 -0.745 -12.564 10.652 1.00 0.00 C ATOM 92 C PRO A 10 -0.712 -11.257 11.436 1.00 0.00 C ATOM 93 O PRO A 10 -0.236 -11.213 12.570 1.00 0.00 O ATOM 94 CB PRO A 10 -2.190 -13.014 10.423 1.00 0.00 C ATOM 95 CG PRO A 10 -2.471 -13.966 11.534 1.00 0.00 C ATOM 96 CD PRO A 10 -1.169 -14.661 11.823 1.00 0.00 C ATOM 0 HA PRO A 10 -0.198 -12.357 9.732 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.876 -12.167 10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.306 -13.494 9.451 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.837 -13.440 12.416 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.241 -14.683 11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.072 -14.909 12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.079 -15.594 11.267 1.00 0.00 H new ATOM 104 N LYS A 11 -1.222 -10.192 10.825 1.00 0.00 N ATOM 105 CA LYS A 11 -1.253 -8.883 11.466 1.00 0.00 C ATOM 106 C LYS A 11 -2.598 -8.200 11.243 1.00 0.00 C ATOM 107 O LYS A 11 -3.290 -8.475 10.262 1.00 0.00 O ATOM 108 CB LYS A 11 -0.125 -8.001 10.926 1.00 0.00 C ATOM 109 CG LYS A 11 -0.220 -7.739 9.433 1.00 0.00 C ATOM 110 CD LYS A 11 0.639 -6.555 9.019 1.00 0.00 C ATOM 111 CE LYS A 11 0.922 -6.568 7.525 1.00 0.00 C ATOM 112 NZ LYS A 11 1.943 -7.589 7.162 1.00 0.00 N ATOM 0 H LYS A 11 -1.620 -10.211 9.886 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.112 -9.027 12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.135 -7.048 11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.832 -8.476 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.095 -8.627 8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.258 -7.549 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.134 -5.627 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.580 -6.577 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.002 -6.769 6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.267 -5.582 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.232 -7.454 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.772 -7.486 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.539 -8.540 7.279 1.00 0.00 H new ATOM 126 N ARG A 12 -2.962 -7.307 12.157 1.00 0.00 N ATOM 127 CA ARG A 12 -4.225 -6.584 12.059 1.00 0.00 C ATOM 128 C ARG A 12 -4.354 -5.897 10.703 1.00 0.00 C ATOM 129 O ARG A 12 -3.379 -5.407 10.132 1.00 0.00 O ATOM 130 CB ARG A 12 -4.332 -5.549 13.180 1.00 0.00 C ATOM 131 CG ARG A 12 -4.501 -6.161 14.561 1.00 0.00 C ATOM 132 CD ARG A 12 -4.009 -5.222 15.651 1.00 0.00 C ATOM 133 NE ARG A 12 -3.871 -5.900 16.937 1.00 0.00 N ATOM 134 CZ ARG A 12 -3.675 -5.264 18.086 1.00 0.00 C ATOM 135 NH1 ARG A 12 -3.595 -3.941 18.110 1.00 0.00 N ATOM 136 NH2 ARG A 12 -3.559 -5.951 19.215 1.00 0.00 N ATOM 0 H ARG A 12 -2.401 -7.066 12.974 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.037 -7.304 12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.437 -4.927 13.175 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.178 -4.892 12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.552 -6.397 14.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.951 -7.101 14.613 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.047 -4.800 15.359 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.705 -4.389 15.753 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.928 -6.918 16.954 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.684 -3.409 17.244 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.444 -3.455 18.994 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.620 -6.969 19.201 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.408 -5.461 20.097 1.00 0.00 H new ATOM 150 N PRO A 13 -5.585 -5.859 10.173 1.00 0.00 N ATOM 151 CA PRO A 13 -5.871 -5.235 8.878 1.00 0.00 C ATOM 152 C PRO A 13 -5.739 -3.717 8.925 1.00 0.00 C ATOM 153 O PRO A 13 -6.004 -3.078 9.943 1.00 0.00 O ATOM 154 CB PRO A 13 -7.322 -5.637 8.603 1.00 0.00 C ATOM 155 CG PRO A 13 -7.910 -5.879 9.950 1.00 0.00 C ATOM 156 CD PRO A 13 -6.794 -6.424 10.797 1.00 0.00 C ATOM 0 HA PRO A 13 -5.172 -5.558 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.857 -4.849 8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.374 -6.531 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.307 -4.957 10.374 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.738 -6.586 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.891 -6.114 11.838 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.779 -7.514 10.789 1.00 0.00 H new ATOM 164 N PRO A 14 -5.320 -3.123 7.797 1.00 0.00 N ATOM 165 CA PRO A 14 -5.145 -1.672 7.684 1.00 0.00 C ATOM 166 C PRO A 14 -6.474 -0.924 7.700 1.00 0.00 C ATOM 167 O PRO A 14 -7.523 -1.510 7.967 1.00 0.00 O ATOM 168 CB PRO A 14 -4.452 -1.503 6.330 1.00 0.00 C ATOM 169 CG PRO A 14 -4.851 -2.706 5.547 1.00 0.00 C ATOM 170 CD PRO A 14 -4.987 -3.823 6.545 1.00 0.00 C ATOM 0 HA PRO A 14 -4.580 -1.263 8.522 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.769 -0.585 5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.369 -1.446 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.791 -2.536 5.021 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.102 -2.946 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.769 -4.526 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.063 -4.394 6.637 1.00 0.00 H new ATOM 178 N SER A 15 -6.421 0.372 7.413 1.00 0.00 N ATOM 179 CA SER A 15 -7.621 1.201 7.398 1.00 0.00 C ATOM 180 C SER A 15 -7.702 2.017 6.111 1.00 0.00 C ATOM 181 O SER A 15 -6.682 2.417 5.552 1.00 0.00 O ATOM 182 CB SER A 15 -7.637 2.135 8.609 1.00 0.00 C ATOM 183 OG SER A 15 -8.924 2.695 8.805 1.00 0.00 O ATOM 0 H SER A 15 -5.561 0.871 7.188 1.00 0.00 H new ATOM 0 HA SER A 15 -8.488 0.542 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.337 1.584 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.908 2.933 8.467 1.00 0.00 H new ATOM 0 HG SER A 15 -8.908 3.287 9.586 1.00 0.00 H new ATOM 189 N GLY A 16 -8.924 2.258 5.646 1.00 0.00 N ATOM 190 CA GLY A 16 -9.117 3.024 4.429 1.00 0.00 C ATOM 191 C GLY A 16 -8.139 4.177 4.308 1.00 0.00 C ATOM 192 O GLY A 16 -7.672 4.491 3.214 1.00 0.00 O ATOM 0 H GLY A 16 -9.784 1.936 6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.006 2.366 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.136 3.411 4.405 1.00 0.00 H new ATOM 196 N PHE A 17 -7.830 4.809 5.435 1.00 0.00 N ATOM 197 CA PHE A 17 -6.904 5.935 5.451 1.00 0.00 C ATOM 198 C PHE A 17 -5.478 5.470 5.171 1.00 0.00 C ATOM 199 O PHE A 17 -4.738 6.113 4.426 1.00 0.00 O ATOM 200 CB PHE A 17 -6.962 6.652 6.801 1.00 0.00 C ATOM 201 CG PHE A 17 -5.826 7.609 7.021 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.670 8.720 6.208 1.00 0.00 C ATOM 203 CD2 PHE A 17 -4.913 7.398 8.042 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.625 9.602 6.408 1.00 0.00 C ATOM 205 CE2 PHE A 17 -3.867 8.277 8.247 1.00 0.00 C ATOM 206 CZ PHE A 17 -3.722 9.380 7.428 1.00 0.00 C ATOM 0 H PHE A 17 -8.207 4.560 6.349 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.203 6.629 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.904 7.196 6.874 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.960 5.909 7.598 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.374 8.899 5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.020 6.537 8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.515 10.464 5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.163 8.102 9.047 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.904 10.067 7.585 1.00 0.00 H new ATOM 216 N PHE A 18 -5.098 4.348 5.775 1.00 0.00 N ATOM 217 CA PHE A 18 -3.761 3.797 5.593 1.00 0.00 C ATOM 218 C PHE A 18 -3.544 3.361 4.146 1.00 0.00 C ATOM 219 O PHE A 18 -2.468 3.558 3.581 1.00 0.00 O ATOM 220 CB PHE A 18 -3.543 2.610 6.533 1.00 0.00 C ATOM 221 CG PHE A 18 -2.160 2.028 6.454 1.00 0.00 C ATOM 222 CD1 PHE A 18 -1.781 1.255 5.369 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.240 2.254 7.465 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.510 0.718 5.292 1.00 0.00 C ATOM 225 CE2 PHE A 18 0.032 1.720 7.394 1.00 0.00 C ATOM 226 CZ PHE A 18 0.398 0.950 6.307 1.00 0.00 C ATOM 0 H PHE A 18 -5.698 3.803 6.395 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.038 4.578 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.737 2.928 7.557 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.270 1.832 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.487 1.070 4.573 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.520 2.854 8.318 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.227 0.118 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.740 1.904 8.188 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.392 0.530 6.251 1.00 0.00 H new ATOM 236 N LEU A 19 -4.574 2.766 3.554 1.00 0.00 N ATOM 237 CA LEU A 19 -4.498 2.301 2.174 1.00 0.00 C ATOM 238 C LEU A 19 -4.223 3.461 1.222 1.00 0.00 C ATOM 239 O LEU A 19 -3.157 3.536 0.611 1.00 0.00 O ATOM 240 CB LEU A 19 -5.800 1.600 1.779 1.00 0.00 C ATOM 241 CG LEU A 19 -5.856 0.094 2.038 1.00 0.00 C ATOM 242 CD1 LEU A 19 -5.822 -0.192 3.531 1.00 0.00 C ATOM 243 CD2 LEU A 19 -7.103 -0.509 1.406 1.00 0.00 C ATOM 0 H LEU A 19 -5.471 2.594 4.008 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.673 1.592 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.621 2.072 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.975 1.773 0.717 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.981 -0.367 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.863 -1.269 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.901 0.206 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.678 0.281 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.127 -1.581 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.990 -0.043 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.086 -0.335 0.330 1.00 0.00 H new ATOM 255 N PHE A 20 -5.190 4.364 1.103 1.00 0.00 N ATOM 256 CA PHE A 20 -5.052 5.521 0.227 1.00 0.00 C ATOM 257 C PHE A 20 -3.734 6.245 0.487 1.00 0.00 C ATOM 258 O PHE A 20 -3.097 6.749 -0.440 1.00 0.00 O ATOM 259 CB PHE A 20 -6.224 6.484 0.430 1.00 0.00 C ATOM 260 CG PHE A 20 -5.931 7.888 -0.018 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.267 8.771 0.818 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.320 8.324 -1.274 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.996 10.063 0.409 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.051 9.615 -1.688 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.389 10.486 -0.845 1.00 0.00 C ATOM 0 H PHE A 20 -6.078 4.317 1.602 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.056 5.167 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.090 6.110 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.495 6.497 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.958 8.446 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.839 7.648 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.477 10.741 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.358 9.942 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.179 11.496 -1.166 1.00 0.00 H new ATOM 275 N CYS A 21 -3.331 6.293 1.751 1.00 0.00 N ATOM 276 CA CYS A 21 -2.090 6.957 2.134 1.00 0.00 C ATOM 277 C CYS A 21 -0.886 6.257 1.512 1.00 0.00 C ATOM 278 O CYS A 21 -0.041 6.895 0.883 1.00 0.00 O ATOM 279 CB CYS A 21 -1.950 6.983 3.657 1.00 0.00 C ATOM 280 SG CYS A 21 -2.791 8.371 4.452 1.00 0.00 S ATOM 0 H CYS A 21 -3.845 5.880 2.529 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.124 7.981 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.345 6.052 4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.891 7.019 3.913 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.959 7.986 4.874 1.00 0.00 H new ATOM 286 N SER A 22 -0.812 4.942 1.694 1.00 0.00 N ATOM 287 CA SER A 22 0.292 4.157 1.156 1.00 0.00 C ATOM 288 C SER A 22 0.225 4.099 -0.367 1.00 0.00 C ATOM 289 O SER A 22 1.238 3.896 -1.035 1.00 0.00 O ATOM 290 CB SER A 22 0.266 2.740 1.733 1.00 0.00 C ATOM 291 OG SER A 22 1.571 2.191 1.796 1.00 0.00 O ATOM 0 H SER A 22 -1.504 4.398 2.210 1.00 0.00 H new ATOM 0 HA SER A 22 1.225 4.642 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.173 2.758 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.370 2.105 1.117 1.00 0.00 H new ATOM 0 HG SER A 22 1.527 1.286 2.169 1.00 0.00 H new ATOM 297 N GLU A 23 -0.976 4.278 -0.908 1.00 0.00 N ATOM 298 CA GLU A 23 -1.175 4.245 -2.352 1.00 0.00 C ATOM 299 C GLU A 23 -0.808 5.586 -2.983 1.00 0.00 C ATOM 300 O GLU A 23 -0.406 5.649 -4.145 1.00 0.00 O ATOM 301 CB GLU A 23 -2.628 3.896 -2.681 1.00 0.00 C ATOM 302 CG GLU A 23 -3.008 4.170 -4.127 1.00 0.00 C ATOM 303 CD GLU A 23 -4.338 3.551 -4.508 1.00 0.00 C ATOM 304 OE1 GLU A 23 -4.371 2.329 -4.768 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.346 4.286 -4.547 1.00 0.00 O ATOM 0 H GLU A 23 -1.825 4.447 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.521 3.477 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.798 2.842 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.287 4.467 -2.027 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.053 5.247 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.229 3.781 -4.783 1.00 0.00 H new ATOM 312 N PHE A 24 -0.949 6.656 -2.207 1.00 0.00 N ATOM 313 CA PHE A 24 -0.634 7.996 -2.689 1.00 0.00 C ATOM 314 C PHE A 24 0.775 8.406 -2.272 1.00 0.00 C ATOM 315 O PHE A 24 1.320 9.391 -2.772 1.00 0.00 O ATOM 316 CB PHE A 24 -1.651 9.006 -2.154 1.00 0.00 C ATOM 317 CG PHE A 24 -2.851 9.177 -3.041 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.662 8.096 -3.347 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.166 10.418 -3.570 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.766 8.251 -4.164 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.269 10.579 -4.387 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.070 9.494 -4.684 1.00 0.00 C ATOM 0 H PHE A 24 -1.279 6.621 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.683 7.984 -3.778 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.982 8.687 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.161 9.972 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.429 7.122 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.542 11.270 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.390 7.401 -4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.504 11.552 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.933 9.617 -5.322 1.00 0.00 H new ATOM 332 N ARG A 25 1.359 7.645 -1.353 1.00 0.00 N ATOM 333 CA ARG A 25 2.704 7.929 -0.867 1.00 0.00 C ATOM 334 C ARG A 25 3.689 8.040 -2.026 1.00 0.00 C ATOM 335 O ARG A 25 4.515 8.951 -2.087 1.00 0.00 O ATOM 336 CB ARG A 25 3.161 6.837 0.102 1.00 0.00 C ATOM 337 CG ARG A 25 4.091 7.341 1.193 1.00 0.00 C ATOM 338 CD ARG A 25 4.086 6.418 2.401 1.00 0.00 C ATOM 339 NE ARG A 25 4.651 5.107 2.091 1.00 0.00 N ATOM 340 CZ ARG A 25 4.995 4.218 3.016 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.832 4.497 4.302 1.00 0.00 N ATOM 342 NH2 ARG A 25 5.504 3.047 2.654 1.00 0.00 N ATOM 0 H ARG A 25 0.922 6.826 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 25 2.679 8.884 -0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.284 6.383 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.667 6.052 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.104 7.422 0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.787 8.342 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.656 6.876 3.210 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.064 6.297 2.760 1.00 0.00 H new ATOM 0 HE ARG A 25 4.789 4.861 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.441 5.396 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.097 3.812 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.631 2.830 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.768 2.364 3.364 1.00 0.00 H new ATOM 356 N PRO A 26 3.603 7.090 -2.970 1.00 0.00 N ATOM 357 CA PRO A 26 4.479 7.059 -4.145 1.00 0.00 C ATOM 358 C PRO A 26 4.572 8.416 -4.834 1.00 0.00 C ATOM 359 O PRO A 26 5.664 8.946 -5.040 1.00 0.00 O ATOM 360 CB PRO A 26 3.804 6.038 -5.063 1.00 0.00 C ATOM 361 CG PRO A 26 3.043 5.146 -4.144 1.00 0.00 C ATOM 362 CD PRO A 26 2.642 5.974 -2.962 1.00 0.00 C ATOM 0 HA PRO A 26 5.505 6.803 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.142 6.526 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.540 5.477 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.165 4.736 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.656 4.300 -3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.616 6.330 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.701 5.403 -2.036 1.00 0.00 H new ATOM 370 N LYS A 27 3.419 8.974 -5.190 1.00 0.00 N ATOM 371 CA LYS A 27 3.370 10.271 -5.855 1.00 0.00 C ATOM 372 C LYS A 27 4.115 11.327 -5.045 1.00 0.00 C ATOM 373 O LYS A 27 5.084 11.918 -5.521 1.00 0.00 O ATOM 374 CB LYS A 27 1.917 10.704 -6.065 1.00 0.00 C ATOM 375 CG LYS A 27 1.076 9.676 -6.801 1.00 0.00 C ATOM 376 CD LYS A 27 -0.407 9.876 -6.537 1.00 0.00 C ATOM 377 CE LYS A 27 -1.248 8.844 -7.273 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.133 8.986 -8.751 1.00 0.00 N ATOM 0 H LYS A 27 2.506 8.548 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 27 3.858 10.173 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.463 10.905 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.903 11.640 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.269 9.746 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.370 8.674 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.600 9.807 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.702 10.878 -6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.933 7.843 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.292 8.949 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.865 8.410 -9.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.260 9.984 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.193 8.663 -9.059 1.00 0.00 H new ATOM 392 N ILE A 28 3.657 11.557 -3.819 1.00 0.00 N ATOM 393 CA ILE A 28 4.282 12.540 -2.943 1.00 0.00 C ATOM 394 C ILE A 28 5.799 12.389 -2.941 1.00 0.00 C ATOM 395 O ILE A 28 6.531 13.357 -3.147 1.00 0.00 O ATOM 396 CB ILE A 28 3.763 12.417 -1.498 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.241 12.572 -1.464 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.427 13.456 -0.607 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.635 12.289 -0.108 1.00 0.00 C ATOM 0 H ILE A 28 2.856 11.076 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 28 4.018 13.523 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 28 4.016 11.427 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.980 13.587 -1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.799 11.899 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.050 13.357 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.506 13.303 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.201 14.454 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.554 12.418 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.865 11.265 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.049 12.979 0.627 1.00 0.00 H new ATOM 411 N LYS A 29 6.266 11.167 -2.709 1.00 0.00 N ATOM 412 CA LYS A 29 7.696 10.885 -2.684 1.00 0.00 C ATOM 413 C LYS A 29 8.304 11.031 -4.075 1.00 0.00 C ATOM 414 O LYS A 29 9.517 11.187 -4.219 1.00 0.00 O ATOM 415 CB LYS A 29 7.950 9.474 -2.150 1.00 0.00 C ATOM 416 CG LYS A 29 7.591 9.305 -0.684 1.00 0.00 C ATOM 417 CD LYS A 29 8.354 8.153 -0.052 1.00 0.00 C ATOM 418 CE LYS A 29 9.747 8.579 0.384 1.00 0.00 C ATOM 419 NZ LYS A 29 10.462 7.489 1.104 1.00 0.00 N ATOM 0 H LYS A 29 5.674 10.355 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 29 8.171 11.608 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.374 8.762 -2.741 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.002 9.226 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.811 10.227 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.520 9.129 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.801 7.778 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.430 7.331 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.326 8.877 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.673 9.454 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.407 7.820 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.923 7.222 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.555 6.663 0.479 1.00 0.00 H new ATOM 433 N SER A 30 7.455 10.979 -5.096 1.00 0.00 N ATOM 434 CA SER A 30 7.909 11.103 -6.476 1.00 0.00 C ATOM 435 C SER A 30 7.746 12.536 -6.975 1.00 0.00 C ATOM 436 O SER A 30 8.264 12.901 -8.031 1.00 0.00 O ATOM 437 CB SER A 30 7.131 10.144 -7.379 1.00 0.00 C ATOM 438 OG SER A 30 7.731 8.861 -7.397 1.00 0.00 O ATOM 0 H SER A 30 6.448 10.852 -4.993 1.00 0.00 H new ATOM 0 HA SER A 30 8.967 10.844 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.102 10.063 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.091 10.545 -8.392 1.00 0.00 H new ATOM 0 HG SER A 30 7.214 8.266 -7.980 1.00 0.00 H new ATOM 444 N THR A 31 7.021 13.344 -6.208 1.00 0.00 N ATOM 445 CA THR A 31 6.788 14.736 -6.571 1.00 0.00 C ATOM 446 C THR A 31 7.691 15.671 -5.775 1.00 0.00 C ATOM 447 O THR A 31 8.226 16.639 -6.314 1.00 0.00 O ATOM 448 CB THR A 31 5.319 15.138 -6.338 1.00 0.00 C ATOM 449 OG1 THR A 31 4.754 14.345 -5.289 1.00 0.00 O ATOM 450 CG2 THR A 31 4.502 14.964 -7.610 1.00 0.00 C ATOM 0 H THR A 31 6.585 13.058 -5.331 1.00 0.00 H new ATOM 0 HA THR A 31 7.019 14.829 -7.632 1.00 0.00 H new ATOM 0 HB THR A 31 5.294 16.189 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.643 13.422 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.468 15.254 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.917 15.593 -8.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.535 13.921 -7.923 1.00 0.00 H new ATOM 458 N ASN A 32 7.857 15.375 -4.490 1.00 0.00 N ATOM 459 CA ASN A 32 8.696 16.190 -3.620 1.00 0.00 C ATOM 460 C ASN A 32 10.092 15.588 -3.491 1.00 0.00 C ATOM 461 O ASN A 32 10.260 14.387 -3.277 1.00 0.00 O ATOM 462 CB ASN A 32 8.056 16.322 -2.237 1.00 0.00 C ATOM 463 CG ASN A 32 6.656 16.899 -2.301 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.438 18.067 -1.977 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.697 16.081 -2.719 1.00 0.00 N ATOM 0 H ASN A 32 7.421 14.577 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 32 8.786 17.180 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.021 15.342 -1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.680 16.959 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.735 16.413 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.923 15.120 -2.977 1.00 0.00 H new ATOM 472 N PRO A 33 11.119 16.440 -3.624 1.00 0.00 N ATOM 473 CA PRO A 33 12.519 16.016 -3.525 1.00 0.00 C ATOM 474 C PRO A 33 12.905 15.618 -2.105 1.00 0.00 C ATOM 475 O PRO A 33 12.631 16.345 -1.150 1.00 0.00 O ATOM 476 CB PRO A 33 13.298 17.258 -3.964 1.00 0.00 C ATOM 477 CG PRO A 33 12.389 18.400 -3.666 1.00 0.00 C ATOM 478 CD PRO A 33 10.993 17.885 -3.881 1.00 0.00 C ATOM 0 HA PRO A 33 12.722 15.133 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.238 17.348 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.546 17.216 -5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.523 18.748 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.598 19.246 -4.321 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.282 18.354 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.643 18.084 -4.894 1.00 0.00 H new ATOM 486 N GLY A 34 13.544 14.460 -1.972 1.00 0.00 N ATOM 487 CA GLY A 34 13.958 13.987 -0.664 1.00 0.00 C ATOM 488 C GLY A 34 12.982 14.377 0.429 1.00 0.00 C ATOM 489 O GLY A 34 13.382 14.906 1.467 1.00 0.00 O ATOM 0 H GLY A 34 13.782 13.841 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.057 12.902 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.942 14.392 -0.429 1.00 0.00 H new ATOM 493 N ILE A 35 11.700 14.117 0.196 1.00 0.00 N ATOM 494 CA ILE A 35 10.666 14.445 1.169 1.00 0.00 C ATOM 495 C ILE A 35 10.637 13.428 2.305 1.00 0.00 C ATOM 496 O ILE A 35 10.412 12.239 2.082 1.00 0.00 O ATOM 497 CB ILE A 35 9.274 14.504 0.513 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.202 14.798 1.565 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.972 13.198 -0.208 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.840 15.087 0.974 1.00 0.00 C ATOM 0 H ILE A 35 11.353 13.680 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 35 10.912 15.428 1.571 1.00 0.00 H new ATOM 0 HB ILE A 35 9.268 15.311 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.123 13.946 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.517 15.652 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.985 13.255 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.722 13.027 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.993 12.375 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.130 15.286 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.904 15.958 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.503 14.225 0.397 1.00 0.00 H new ATOM 512 N SER A 36 10.865 13.905 3.525 1.00 0.00 N ATOM 513 CA SER A 36 10.867 13.038 4.697 1.00 0.00 C ATOM 514 C SER A 36 9.444 12.657 5.094 1.00 0.00 C ATOM 515 O SER A 36 8.506 13.431 4.900 1.00 0.00 O ATOM 516 CB SER A 36 11.568 13.729 5.868 1.00 0.00 C ATOM 517 OG SER A 36 10.677 14.587 6.560 1.00 0.00 O ATOM 0 H SER A 36 11.051 14.887 3.727 1.00 0.00 H new ATOM 0 HA SER A 36 11.411 12.128 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.962 12.979 6.554 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.418 14.303 5.500 1.00 0.00 H new ATOM 0 HG SER A 36 11.148 15.016 7.305 1.00 0.00 H new ATOM 523 N ILE A 37 9.292 11.460 5.650 1.00 0.00 N ATOM 524 CA ILE A 37 7.985 10.976 6.075 1.00 0.00 C ATOM 525 C ILE A 37 7.212 12.061 6.817 1.00 0.00 C ATOM 526 O ILE A 37 5.986 12.127 6.741 1.00 0.00 O ATOM 527 CB ILE A 37 8.110 9.739 6.984 1.00 0.00 C ATOM 528 CG1 ILE A 37 8.838 8.611 6.248 1.00 0.00 C ATOM 529 CG2 ILE A 37 6.735 9.278 7.444 1.00 0.00 C ATOM 530 CD1 ILE A 37 9.624 7.700 7.165 1.00 0.00 C ATOM 0 H ILE A 37 10.058 10.808 5.817 1.00 0.00 H new ATOM 0 HA ILE A 37 7.442 10.699 5.171 1.00 0.00 H new ATOM 0 HB ILE A 37 8.693 10.010 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.108 8.017 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.515 9.046 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.840 8.403 8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.250 10.080 8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.128 9.020 6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.113 6.925 6.576 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.377 8.281 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.948 7.237 7.884 1.00 0.00 H new ATOM 542 N GLY A 38 7.939 12.913 7.534 1.00 0.00 N ATOM 543 CA GLY A 38 7.305 13.985 8.279 1.00 0.00 C ATOM 544 C GLY A 38 6.394 14.833 7.412 1.00 0.00 C ATOM 545 O GLY A 38 5.263 15.132 7.795 1.00 0.00 O ATOM 0 H GLY A 38 8.955 12.880 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.728 13.561 9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.073 14.619 8.723 1.00 0.00 H new ATOM 549 N ASP A 39 6.888 15.223 6.242 1.00 0.00 N ATOM 550 CA ASP A 39 6.112 16.042 5.319 1.00 0.00 C ATOM 551 C ASP A 39 4.902 15.274 4.797 1.00 0.00 C ATOM 552 O ASP A 39 3.766 15.737 4.902 1.00 0.00 O ATOM 553 CB ASP A 39 6.985 16.498 4.150 1.00 0.00 C ATOM 554 CG ASP A 39 6.565 17.849 3.606 1.00 0.00 C ATOM 555 OD1 ASP A 39 6.436 18.798 4.407 1.00 0.00 O ATOM 556 OD2 ASP A 39 6.366 17.958 2.378 1.00 0.00 O ATOM 0 H ASP A 39 7.823 14.985 5.911 1.00 0.00 H new ATOM 0 HA ASP A 39 5.757 16.919 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.024 16.547 4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.935 15.757 3.352 1.00 0.00 H new ATOM 561 N VAL A 40 5.153 14.096 4.232 1.00 0.00 N ATOM 562 CA VAL A 40 4.085 13.263 3.693 1.00 0.00 C ATOM 563 C VAL A 40 2.908 13.184 4.660 1.00 0.00 C ATOM 564 O VAL A 40 1.775 13.502 4.302 1.00 0.00 O ATOM 565 CB VAL A 40 4.583 11.838 3.391 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.458 10.989 2.817 1.00 0.00 C ATOM 567 CG2 VAL A 40 5.769 11.879 2.439 1.00 0.00 C ATOM 0 H VAL A 40 6.087 13.698 4.136 1.00 0.00 H new ATOM 0 HA VAL A 40 3.758 13.730 2.764 1.00 0.00 H new ATOM 0 HB VAL A 40 4.911 11.381 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.829 9.985 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.641 10.933 3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.097 11.440 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.108 10.863 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.470 12.355 1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.580 12.449 2.893 1.00 0.00 H new ATOM 577 N ALA A 41 3.187 12.759 5.888 1.00 0.00 N ATOM 578 CA ALA A 41 2.152 12.641 6.908 1.00 0.00 C ATOM 579 C ALA A 41 1.224 13.851 6.892 1.00 0.00 C ATOM 580 O ALA A 41 0.004 13.712 6.969 1.00 0.00 O ATOM 581 CB ALA A 41 2.783 12.474 8.283 1.00 0.00 C ATOM 0 H ALA A 41 4.120 12.491 6.200 1.00 0.00 H new ATOM 0 HA ALA A 41 1.555 11.757 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.999 12.387 9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.398 11.574 8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.405 13.341 8.506 1.00 0.00 H new ATOM 587 N LYS A 42 1.811 15.039 6.793 1.00 0.00 N ATOM 588 CA LYS A 42 1.038 16.275 6.767 1.00 0.00 C ATOM 589 C LYS A 42 0.125 16.319 5.547 1.00 0.00 C ATOM 590 O LYS A 42 -1.081 16.538 5.668 1.00 0.00 O ATOM 591 CB LYS A 42 1.974 17.486 6.762 1.00 0.00 C ATOM 592 CG LYS A 42 1.270 18.800 7.052 1.00 0.00 C ATOM 593 CD LYS A 42 2.222 19.823 7.647 1.00 0.00 C ATOM 594 CE LYS A 42 2.365 19.643 9.151 1.00 0.00 C ATOM 595 NZ LYS A 42 1.101 19.960 9.870 1.00 0.00 N ATOM 0 H LYS A 42 2.820 15.172 6.729 1.00 0.00 H new ATOM 0 HA LYS A 42 0.419 16.307 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.758 17.332 7.504 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.463 17.552 5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.840 19.194 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.444 18.627 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.200 19.730 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.858 20.828 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.658 18.616 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.164 20.287 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.314 20.191 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.639 20.774 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.466 19.137 9.835 1.00 0.00 H new ATOM 609 N LYS A 43 0.706 16.109 4.370 1.00 0.00 N ATOM 610 CA LYS A 43 -0.055 16.122 3.127 1.00 0.00 C ATOM 611 C LYS A 43 -1.148 15.058 3.147 1.00 0.00 C ATOM 612 O LYS A 43 -2.334 15.369 3.023 1.00 0.00 O ATOM 613 CB LYS A 43 0.874 15.892 1.933 1.00 0.00 C ATOM 614 CG LYS A 43 1.613 17.142 1.487 1.00 0.00 C ATOM 615 CD LYS A 43 2.648 16.827 0.420 1.00 0.00 C ATOM 616 CE LYS A 43 3.820 17.794 0.478 1.00 0.00 C ATOM 617 NZ LYS A 43 3.455 19.140 -0.045 1.00 0.00 N ATOM 0 H LYS A 43 1.703 15.928 4.252 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.526 17.100 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.602 15.123 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.289 15.508 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.899 17.869 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.102 17.602 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.009 15.807 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.183 16.875 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.164 17.886 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.651 17.392 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.281 19.770 0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.150 19.057 -1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.679 19.535 0.524 1.00 0.00 H new ATOM 631 N LEU A 44 -0.743 13.803 3.304 1.00 0.00 N ATOM 632 CA LEU A 44 -1.688 12.693 3.342 1.00 0.00 C ATOM 633 C LEU A 44 -2.965 13.090 4.074 1.00 0.00 C ATOM 634 O LEU A 44 -4.058 13.033 3.512 1.00 0.00 O ATOM 635 CB LEU A 44 -1.052 11.479 4.022 1.00 0.00 C ATOM 636 CG LEU A 44 -0.051 10.686 3.182 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.570 9.569 4.006 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.725 10.124 1.939 1.00 0.00 C ATOM 0 H LEU A 44 0.234 13.528 3.407 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.946 12.432 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.548 11.818 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.849 10.804 4.334 1.00 0.00 H new ATOM 0 HG LEU A 44 0.744 11.361 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.280 9.015 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.089 9.995 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.213 8.895 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.003 9.562 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.540 9.464 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.121 10.943 1.338 1.00 0.00 H new ATOM 650 N GLY A 45 -2.819 13.494 5.332 1.00 0.00 N ATOM 651 CA GLY A 45 -3.969 13.897 6.121 1.00 0.00 C ATOM 652 C GLY A 45 -4.911 14.801 5.351 1.00 0.00 C ATOM 653 O GLY A 45 -6.127 14.612 5.383 1.00 0.00 O ATOM 0 H GLY A 45 -1.925 13.550 5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.510 13.009 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.628 14.413 7.018 1.00 0.00 H new ATOM 657 N GLU A 46 -4.350 15.787 4.659 1.00 0.00 N ATOM 658 CA GLU A 46 -5.150 16.725 3.880 1.00 0.00 C ATOM 659 C GLU A 46 -5.821 16.022 2.704 1.00 0.00 C ATOM 660 O GLU A 46 -7.044 16.048 2.568 1.00 0.00 O ATOM 661 CB GLU A 46 -4.277 17.874 3.371 1.00 0.00 C ATOM 662 CG GLU A 46 -4.194 19.048 4.332 1.00 0.00 C ATOM 663 CD GLU A 46 -5.360 20.006 4.185 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.468 19.671 4.655 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.165 21.092 3.599 1.00 0.00 O ATOM 0 H GLU A 46 -3.345 15.957 4.622 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.926 17.128 4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.271 17.499 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.671 18.224 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.163 18.674 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.262 19.587 4.162 1.00 0.00 H new ATOM 672 N MET A 47 -5.012 15.395 1.857 1.00 0.00 N ATOM 673 CA MET A 47 -5.527 14.684 0.692 1.00 0.00 C ATOM 674 C MET A 47 -6.682 13.768 1.082 1.00 0.00 C ATOM 675 O MET A 47 -7.664 13.645 0.349 1.00 0.00 O ATOM 676 CB MET A 47 -4.414 13.868 0.033 1.00 0.00 C ATOM 677 CG MET A 47 -3.174 14.685 -0.296 1.00 0.00 C ATOM 678 SD MET A 47 -2.292 14.058 -1.738 1.00 0.00 S ATOM 679 CE MET A 47 -1.871 12.407 -1.186 1.00 0.00 C ATOM 0 H MET A 47 -3.997 15.365 1.955 1.00 0.00 H new ATOM 0 HA MET A 47 -5.896 15.422 -0.020 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.134 13.049 0.696 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.797 13.420 -0.884 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.463 15.721 -0.474 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.504 14.684 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.082 12.002 -1.819 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.523 12.446 -0.154 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.751 11.767 -1.248 1.00 0.00 H new ATOM 689 N TRP A 48 -6.558 13.127 2.239 1.00 0.00 N ATOM 690 CA TRP A 48 -7.593 12.221 2.725 1.00 0.00 C ATOM 691 C TRP A 48 -8.910 12.961 2.933 1.00 0.00 C ATOM 692 O TRP A 48 -9.917 12.643 2.303 1.00 0.00 O ATOM 693 CB TRP A 48 -7.151 11.564 4.033 1.00 0.00 C ATOM 694 CG TRP A 48 -8.197 10.675 4.635 1.00 0.00 C ATOM 695 CD1 TRP A 48 -8.807 10.832 5.847 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.754 9.492 4.053 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.710 9.817 6.054 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.697 8.982 4.967 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.551 8.814 2.848 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.431 7.827 4.713 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.280 7.667 2.597 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.211 7.184 3.525 1.00 0.00 C ATOM 0 H TRP A 48 -5.752 13.218 2.857 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.747 11.448 1.972 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.249 10.980 3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.888 12.341 4.751 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.609 11.636 6.541 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.295 9.703 6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.837 9.180 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.148 7.452 5.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.129 7.134 1.670 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.767 6.286 3.299 1.00 0.00 H new ATOM 713 N ASN A 49 -8.894 13.949 3.822 1.00 0.00 N ATOM 714 CA ASN A 49 -10.089 14.734 4.113 1.00 0.00 C ATOM 715 C ASN A 49 -10.726 15.253 2.827 1.00 0.00 C ATOM 716 O ASN A 49 -11.948 15.252 2.684 1.00 0.00 O ATOM 717 CB ASN A 49 -9.742 15.907 5.032 1.00 0.00 C ATOM 718 CG ASN A 49 -10.962 16.472 5.733 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.880 15.737 6.096 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.978 17.786 5.925 1.00 0.00 N ATOM 0 H ASN A 49 -8.068 14.225 4.353 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.806 14.085 4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.017 15.579 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.265 16.694 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.773 18.224 6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.195 18.357 5.608 1.00 0.00 H new ATOM 727 N ASN A 50 -9.888 15.694 1.894 1.00 0.00 N ATOM 728 CA ASN A 50 -10.369 16.215 0.620 1.00 0.00 C ATOM 729 C ASN A 50 -11.282 15.207 -0.070 1.00 0.00 C ATOM 730 O ASN A 50 -12.339 15.566 -0.592 1.00 0.00 O ATOM 731 CB ASN A 50 -9.189 16.559 -0.292 1.00 0.00 C ATOM 732 CG ASN A 50 -8.703 17.982 -0.096 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.232 18.919 -0.694 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.689 18.150 0.745 1.00 0.00 N ATOM 0 H ASN A 50 -8.873 15.701 1.997 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.942 17.121 0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.369 15.868 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.484 16.419 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.318 19.085 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.281 17.344 1.219 1.00 0.00 H new ATOM 741 N LEU A 51 -10.869 13.945 -0.069 1.00 0.00 N ATOM 742 CA LEU A 51 -11.650 12.883 -0.695 1.00 0.00 C ATOM 743 C LEU A 51 -13.105 12.938 -0.241 1.00 0.00 C ATOM 744 O LEU A 51 -13.401 13.356 0.878 1.00 0.00 O ATOM 745 CB LEU A 51 -11.050 11.517 -0.360 1.00 0.00 C ATOM 746 CG LEU A 51 -9.715 11.187 -1.029 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.096 9.947 -0.403 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.904 10.993 -2.527 1.00 0.00 C ATOM 0 H LEU A 51 -9.998 13.631 0.358 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.620 13.031 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.917 11.456 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.772 10.748 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.035 12.025 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.147 9.728 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.925 10.122 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.772 9.101 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.944 10.759 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.600 10.173 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.303 11.908 -2.965 1.00 0.00 H new ATOM 760 N ASN A 52 -14.009 12.510 -1.116 1.00 0.00 N ATOM 761 CA ASN A 52 -15.434 12.509 -0.804 1.00 0.00 C ATOM 762 C ASN A 52 -15.885 11.131 -0.327 1.00 0.00 C ATOM 763 O ASN A 52 -15.243 10.122 -0.617 1.00 0.00 O ATOM 764 CB ASN A 52 -16.246 12.928 -2.030 1.00 0.00 C ATOM 765 CG ASN A 52 -17.741 12.828 -1.796 1.00 0.00 C ATOM 766 OD1 ASN A 52 -18.293 13.513 -0.935 1.00 0.00 O ATOM 767 ND2 ASN A 52 -18.404 11.969 -2.563 1.00 0.00 N ATOM 0 H ASN A 52 -13.781 12.160 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.606 13.226 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.991 13.953 -2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.971 12.299 -2.877 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -19.412 11.857 -2.450 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.905 11.422 -3.264 1.00 0.00 H new ATOM 774 N ASP A 53 -16.994 11.098 0.404 1.00 0.00 N ATOM 775 CA ASP A 53 -17.533 9.845 0.920 1.00 0.00 C ATOM 776 C ASP A 53 -17.557 8.776 -0.168 1.00 0.00 C ATOM 777 O ASP A 53 -17.267 7.608 0.089 1.00 0.00 O ATOM 778 CB ASP A 53 -18.942 10.060 1.472 1.00 0.00 C ATOM 779 CG ASP A 53 -18.975 11.078 2.596 1.00 0.00 C ATOM 780 OD1 ASP A 53 -19.035 12.289 2.298 1.00 0.00 O ATOM 781 OD2 ASP A 53 -18.941 10.662 3.773 1.00 0.00 O ATOM 0 H ASP A 53 -17.537 11.925 0.653 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.884 9.503 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.598 10.391 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.336 9.110 1.834 1.00 0.00 H new ATOM 786 N SER A 54 -17.906 9.184 -1.384 1.00 0.00 N ATOM 787 CA SER A 54 -17.974 8.260 -2.510 1.00 0.00 C ATOM 788 C SER A 54 -16.576 7.823 -2.939 1.00 0.00 C ATOM 789 O SER A 54 -16.391 6.722 -3.456 1.00 0.00 O ATOM 790 CB SER A 54 -18.701 8.911 -3.689 1.00 0.00 C ATOM 791 OG SER A 54 -19.972 9.399 -3.297 1.00 0.00 O ATOM 0 H SER A 54 -18.146 10.148 -1.615 1.00 0.00 H new ATOM 0 HA SER A 54 -18.530 7.378 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.100 9.730 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.819 8.185 -4.493 1.00 0.00 H new ATOM 0 HG SER A 54 -20.416 9.812 -4.067 1.00 0.00 H new ATOM 797 N GLU A 55 -15.597 8.695 -2.719 1.00 0.00 N ATOM 798 CA GLU A 55 -14.216 8.399 -3.083 1.00 0.00 C ATOM 799 C GLU A 55 -13.591 7.419 -2.096 1.00 0.00 C ATOM 800 O GLU A 55 -12.780 6.573 -2.472 1.00 0.00 O ATOM 801 CB GLU A 55 -13.392 9.687 -3.132 1.00 0.00 C ATOM 802 CG GLU A 55 -13.650 10.529 -4.370 1.00 0.00 C ATOM 803 CD GLU A 55 -13.082 9.904 -5.629 1.00 0.00 C ATOM 804 OE1 GLU A 55 -13.657 8.902 -6.104 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.065 10.416 -6.140 1.00 0.00 O ATOM 0 H GLU A 55 -15.734 9.611 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.218 7.939 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.612 10.283 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.333 9.432 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.724 10.670 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.212 11.517 -4.230 1.00 0.00 H new ATOM 812 N LYS A 56 -13.974 7.539 -0.829 1.00 0.00 N ATOM 813 CA LYS A 56 -13.453 6.664 0.215 1.00 0.00 C ATOM 814 C LYS A 56 -14.184 5.325 0.217 1.00 0.00 C ATOM 815 O LYS A 56 -13.674 4.331 0.732 1.00 0.00 O ATOM 816 CB LYS A 56 -13.588 7.333 1.584 1.00 0.00 C ATOM 817 CG LYS A 56 -12.632 8.495 1.790 1.00 0.00 C ATOM 818 CD LYS A 56 -12.981 9.291 3.036 1.00 0.00 C ATOM 819 CE LYS A 56 -12.187 10.586 3.112 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.725 11.507 4.150 1.00 0.00 N ATOM 0 H LYS A 56 -14.644 8.234 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.398 6.482 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.611 7.689 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.415 6.589 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.612 8.118 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.661 9.150 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.047 9.516 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.781 8.688 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.144 10.360 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.207 11.082 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.156 12.378 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.713 11.744 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.682 11.044 5.080 1.00 0.00 H new ATOM 834 N GLN A 57 -15.380 5.308 -0.362 1.00 0.00 N ATOM 835 CA GLN A 57 -16.180 4.090 -0.426 1.00 0.00 C ATOM 836 C GLN A 57 -15.317 2.891 -0.805 1.00 0.00 C ATOM 837 O GLN A 57 -15.229 1.904 -0.075 1.00 0.00 O ATOM 838 CB GLN A 57 -17.317 4.254 -1.436 1.00 0.00 C ATOM 839 CG GLN A 57 -18.618 4.737 -0.815 1.00 0.00 C ATOM 840 CD GLN A 57 -19.160 3.777 0.225 1.00 0.00 C ATOM 841 OE1 GLN A 57 -19.904 2.850 -0.096 1.00 0.00 O ATOM 842 NE2 GLN A 57 -18.787 3.993 1.481 1.00 0.00 N ATOM 0 H GLN A 57 -15.816 6.123 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.604 3.912 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.008 4.960 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.493 3.299 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.457 5.712 -0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.362 4.874 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.169 4.774 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.119 3.378 2.224 1.00 0.00 H new ATOM 851 N PRO A 58 -14.664 2.977 -1.974 1.00 0.00 N ATOM 852 CA PRO A 58 -13.796 1.908 -2.476 1.00 0.00 C ATOM 853 C PRO A 58 -12.516 1.769 -1.659 1.00 0.00 C ATOM 854 O PRO A 58 -11.757 0.816 -1.834 1.00 0.00 O ATOM 855 CB PRO A 58 -13.473 2.354 -3.904 1.00 0.00 C ATOM 856 CG PRO A 58 -13.626 3.836 -3.881 1.00 0.00 C ATOM 857 CD PRO A 58 -14.723 4.124 -2.895 1.00 0.00 C ATOM 0 HA PRO A 58 -14.277 0.932 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.462 2.065 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.151 1.897 -4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.696 4.320 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.880 4.217 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.557 5.067 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.694 4.197 -3.384 1.00 0.00 H new ATOM 865 N TYR A 59 -12.282 2.725 -0.767 1.00 0.00 N ATOM 866 CA TYR A 59 -11.092 2.710 0.076 1.00 0.00 C ATOM 867 C TYR A 59 -11.392 2.075 1.430 1.00 0.00 C ATOM 868 O TYR A 59 -10.512 1.489 2.061 1.00 0.00 O ATOM 869 CB TYR A 59 -10.564 4.132 0.272 1.00 0.00 C ATOM 870 CG TYR A 59 -9.693 4.617 -0.865 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.537 3.935 -1.221 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.029 5.758 -1.584 1.00 0.00 C ATOM 873 CE1 TYR A 59 -7.739 4.375 -2.259 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.237 6.205 -2.624 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.093 5.511 -2.958 1.00 0.00 C ATOM 876 OH TYR A 59 -7.301 5.952 -3.993 1.00 0.00 O ATOM 0 H TYR A 59 -12.901 3.520 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.330 2.112 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.409 4.811 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.993 4.174 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.257 3.045 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.924 6.304 -1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.843 3.833 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.512 7.094 -3.173 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.648 5.259 -4.224 1.00 0.00 H new ATOM 886 N ILE A 60 -12.640 2.195 1.869 1.00 0.00 N ATOM 887 CA ILE A 60 -13.057 1.631 3.147 1.00 0.00 C ATOM 888 C ILE A 60 -13.454 0.166 2.999 1.00 0.00 C ATOM 889 O ILE A 60 -13.151 -0.661 3.859 1.00 0.00 O ATOM 890 CB ILE A 60 -14.240 2.413 3.748 1.00 0.00 C ATOM 891 CG1 ILE A 60 -13.844 3.871 3.995 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.705 1.759 5.041 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.014 4.765 4.339 1.00 0.00 C ATOM 0 H ILE A 60 -13.380 2.677 1.359 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.202 1.707 3.819 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.066 2.396 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.117 3.909 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.349 4.260 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.541 2.323 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.022 0.736 4.838 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.885 1.749 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.659 5.783 4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.732 4.757 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.496 4.400 5.246 1.00 0.00 H new ATOM 905 N THR A 61 -14.132 -0.149 1.900 1.00 0.00 N ATOM 906 CA THR A 61 -14.569 -1.514 1.637 1.00 0.00 C ATOM 907 C THR A 61 -13.386 -2.475 1.607 1.00 0.00 C ATOM 908 O THR A 61 -13.487 -3.616 2.059 1.00 0.00 O ATOM 909 CB THR A 61 -15.330 -1.613 0.301 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.462 -0.736 0.316 1.00 0.00 O ATOM 911 CG2 THR A 61 -15.791 -3.040 0.046 1.00 0.00 C ATOM 0 H THR A 61 -14.390 0.523 1.178 1.00 0.00 H new ATOM 0 HA THR A 61 -15.239 -1.793 2.450 1.00 0.00 H new ATOM 0 HB THR A 61 -14.653 -1.318 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.163 0.187 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.326 -3.086 -0.903 1.00 0.00 H new ATOM 0 HG22 THR A 61 -14.925 -3.701 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 61 -16.453 -3.358 0.851 1.00 0.00 H new ATOM 919 N LYS A 62 -12.263 -2.007 1.073 1.00 0.00 N ATOM 920 CA LYS A 62 -11.059 -2.823 0.986 1.00 0.00 C ATOM 921 C LYS A 62 -10.520 -3.149 2.375 1.00 0.00 C ATOM 922 O LYS A 62 -9.984 -4.233 2.604 1.00 0.00 O ATOM 923 CB LYS A 62 -9.986 -2.100 0.169 1.00 0.00 C ATOM 924 CG LYS A 62 -8.892 -3.018 -0.347 1.00 0.00 C ATOM 925 CD LYS A 62 -9.236 -3.582 -1.716 1.00 0.00 C ATOM 926 CE LYS A 62 -10.110 -4.822 -1.604 1.00 0.00 C ATOM 927 NZ LYS A 62 -10.108 -5.618 -2.863 1.00 0.00 N ATOM 0 H LYS A 62 -12.162 -1.066 0.694 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.319 -3.757 0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.460 -1.602 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.535 -1.322 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.952 -2.469 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.740 -3.836 0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.753 -2.823 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.318 -3.829 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.756 -5.443 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.131 -4.526 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.025 -6.097 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.949 -4.986 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.349 -6.328 -2.824 1.00 0.00 H new ATOM 941 N ALA A 63 -10.669 -2.206 3.299 1.00 0.00 N ATOM 942 CA ALA A 63 -10.202 -2.395 4.666 1.00 0.00 C ATOM 943 C ALA A 63 -11.179 -3.248 5.468 1.00 0.00 C ATOM 944 O ALA A 63 -10.792 -3.917 6.426 1.00 0.00 O ATOM 945 CB ALA A 63 -9.995 -1.049 5.344 1.00 0.00 C ATOM 0 H ALA A 63 -11.110 -1.303 3.125 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.248 -2.921 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.646 -1.206 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.253 -0.473 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.938 -0.502 5.363 1.00 0.00 H new ATOM 951 N ALA A 64 -12.446 -3.219 5.070 1.00 0.00 N ATOM 952 CA ALA A 64 -13.479 -3.991 5.751 1.00 0.00 C ATOM 953 C ALA A 64 -13.451 -5.452 5.312 1.00 0.00 C ATOM 954 O ALA A 64 -13.614 -6.359 6.128 1.00 0.00 O ATOM 955 CB ALA A 64 -14.850 -3.386 5.489 1.00 0.00 C ATOM 0 H ALA A 64 -12.783 -2.669 4.279 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.277 -3.956 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.611 -3.973 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.872 -2.360 5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.051 -3.391 4.418 1.00 0.00 H new ATOM 961 N LYS A 65 -13.244 -5.672 4.018 1.00 0.00 N ATOM 962 CA LYS A 65 -13.194 -7.022 3.470 1.00 0.00 C ATOM 963 C LYS A 65 -11.954 -7.763 3.960 1.00 0.00 C ATOM 964 O LYS A 65 -11.977 -8.981 4.143 1.00 0.00 O ATOM 965 CB LYS A 65 -13.202 -6.975 1.941 1.00 0.00 C ATOM 966 CG LYS A 65 -12.068 -6.154 1.352 1.00 0.00 C ATOM 967 CD LYS A 65 -10.841 -7.010 1.084 1.00 0.00 C ATOM 968 CE LYS A 65 -10.973 -7.780 -0.221 1.00 0.00 C ATOM 969 NZ LYS A 65 -9.975 -8.880 -0.319 1.00 0.00 N ATOM 0 H LYS A 65 -13.108 -4.932 3.329 1.00 0.00 H new ATOM 0 HA LYS A 65 -14.077 -7.560 3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.142 -7.992 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.152 -6.561 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.398 -5.689 0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.807 -5.347 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.955 -6.376 1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.697 -7.709 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.978 -8.194 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.844 -7.097 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.098 -9.381 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.015 -8.483 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.114 -9.546 0.468 1.00 0.00 H new ATOM 983 N LEU A 66 -10.872 -7.021 4.171 1.00 0.00 N ATOM 984 CA LEU A 66 -9.622 -7.607 4.641 1.00 0.00 C ATOM 985 C LEU A 66 -9.765 -8.120 6.070 1.00 0.00 C ATOM 986 O LEU A 66 -9.181 -9.141 6.436 1.00 0.00 O ATOM 987 CB LEU A 66 -8.493 -6.577 4.567 1.00 0.00 C ATOM 988 CG LEU A 66 -7.842 -6.392 3.197 1.00 0.00 C ATOM 989 CD1 LEU A 66 -6.857 -5.233 3.225 1.00 0.00 C ATOM 990 CD2 LEU A 66 -7.147 -7.674 2.759 1.00 0.00 C ATOM 0 H LEU A 66 -10.836 -6.012 4.024 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.379 -8.450 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.885 -5.614 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.719 -6.864 5.279 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.624 -6.160 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.404 -5.117 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.382 -4.316 3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.079 -5.434 3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.689 -7.524 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.377 -7.936 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.877 -8.481 2.698 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.547 -7.407 6.874 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.770 -7.792 8.263 1.00 0.00 C ATOM 1004 C LYS A 67 -11.432 -9.163 8.348 1.00 0.00 C ATOM 1005 O LYS A 67 -10.954 -10.050 9.055 1.00 0.00 O ATOM 1006 CB LYS A 67 -11.640 -6.749 8.968 1.00 0.00 C ATOM 1007 CG LYS A 67 -11.858 -7.036 10.444 1.00 0.00 C ATOM 1008 CD LYS A 67 -12.331 -5.799 11.189 1.00 0.00 C ATOM 1009 CE LYS A 67 -13.062 -6.167 12.471 1.00 0.00 C ATOM 1010 NZ LYS A 67 -12.117 -6.465 13.582 1.00 0.00 N ATOM 0 H LYS A 67 -11.037 -6.559 6.588 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.801 -7.845 8.760 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.175 -5.769 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.608 -6.699 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.594 -7.833 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.929 -7.395 10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.476 -5.166 11.425 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.991 -5.216 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.719 -5.347 12.763 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.696 -7.035 12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.654 -6.711 14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.507 -7.264 13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.529 -5.628 13.771 1.00 0.00 H new ATOM 1024 N GLU A 68 -12.533 -9.330 7.622 1.00 0.00 N ATOM 1025 CA GLU A 68 -13.259 -10.595 7.617 1.00 0.00 C ATOM 1026 C GLU A 68 -12.299 -11.773 7.471 1.00 0.00 C ATOM 1027 O GLU A 68 -12.395 -12.761 8.200 1.00 0.00 O ATOM 1028 CB GLU A 68 -14.283 -10.616 6.480 1.00 0.00 C ATOM 1029 CG GLU A 68 -15.595 -9.933 6.831 1.00 0.00 C ATOM 1030 CD GLU A 68 -16.430 -10.741 7.805 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -16.640 -11.945 7.549 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -16.875 -10.169 8.823 1.00 0.00 O ATOM 0 H GLU A 68 -12.941 -8.606 7.030 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.781 -10.688 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.852 -10.129 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.484 -11.651 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.387 -8.954 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.168 -9.765 5.919 1.00 0.00 H new ATOM 1039 N LYS A 69 -11.373 -11.660 6.525 1.00 0.00 N ATOM 1040 CA LYS A 69 -10.394 -12.714 6.283 1.00 0.00 C ATOM 1041 C LYS A 69 -9.420 -12.831 7.451 1.00 0.00 C ATOM 1042 O LYS A 69 -9.048 -13.933 7.854 1.00 0.00 O ATOM 1043 CB LYS A 69 -9.625 -12.435 4.990 1.00 0.00 C ATOM 1044 CG LYS A 69 -8.892 -13.649 4.445 1.00 0.00 C ATOM 1045 CD LYS A 69 -8.574 -13.492 2.967 1.00 0.00 C ATOM 1046 CE LYS A 69 -7.368 -14.327 2.565 1.00 0.00 C ATOM 1047 NZ LYS A 69 -7.387 -14.665 1.115 1.00 0.00 N ATOM 0 H LYS A 69 -11.280 -10.849 5.913 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.930 -13.658 6.184 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.321 -12.072 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.905 -11.637 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.968 -13.798 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.501 -14.540 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.439 -13.790 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.382 -12.442 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.454 -13.781 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.350 -15.245 3.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.549 -15.234 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.247 -15.208 0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.379 -13.789 0.554 1.00 0.00 H new ATOM 1061 N TYR A 70 -9.013 -11.688 7.992 1.00 0.00 N ATOM 1062 CA TYR A 70 -8.082 -11.663 9.114 1.00 0.00 C ATOM 1063 C TYR A 70 -8.569 -12.560 10.247 1.00 0.00 C ATOM 1064 O TYR A 70 -7.918 -13.543 10.598 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.903 -10.232 9.624 1.00 0.00 C ATOM 1066 CG TYR A 70 -6.981 -10.124 10.817 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.632 -10.438 10.708 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -7.459 -9.711 12.054 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -4.786 -10.342 11.796 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -6.621 -9.611 13.147 1.00 0.00 C ATOM 1071 CZ TYR A 70 -5.285 -9.928 13.013 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.446 -9.831 14.100 1.00 0.00 O ATOM 0 H TYR A 70 -9.313 -10.767 7.672 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.121 -12.040 8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.512 -9.614 8.816 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.879 -9.826 9.892 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -5.238 -10.763 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.505 -9.464 12.163 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.740 -10.590 11.694 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.009 -9.287 14.101 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.955 -9.525 14.880 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.721 -12.214 10.814 1.00 0.00 N ATOM 1083 CA GLU A 71 -10.296 -12.989 11.907 1.00 0.00 C ATOM 1084 C GLU A 71 -10.317 -14.476 11.569 1.00 0.00 C ATOM 1085 O GLU A 71 -9.893 -15.313 12.366 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.715 -12.504 12.214 1.00 0.00 C ATOM 1087 CG GLU A 71 -11.793 -11.025 12.553 1.00 0.00 C ATOM 1088 CD GLU A 71 -13.203 -10.576 12.884 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -13.612 -10.724 14.055 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -13.897 -10.077 11.974 1.00 0.00 O ATOM 0 H GLU A 71 -10.273 -11.403 10.535 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.671 -12.844 12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.353 -12.705 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.115 -13.081 13.048 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.141 -10.815 13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.419 -10.443 11.711 1.00 0.00 H new ATOM 1097 N LYS A 72 -10.815 -14.799 10.380 1.00 0.00 N ATOM 1098 CA LYS A 72 -10.892 -16.185 9.933 1.00 0.00 C ATOM 1099 C LYS A 72 -9.525 -16.856 10.003 1.00 0.00 C ATOM 1100 O LYS A 72 -9.428 -18.077 10.133 1.00 0.00 O ATOM 1101 CB LYS A 72 -11.432 -16.251 8.502 1.00 0.00 C ATOM 1102 CG LYS A 72 -11.865 -17.645 8.080 1.00 0.00 C ATOM 1103 CD LYS A 72 -12.682 -17.610 6.799 1.00 0.00 C ATOM 1104 CE LYS A 72 -13.467 -18.898 6.604 1.00 0.00 C ATOM 1105 NZ LYS A 72 -14.002 -19.017 5.219 1.00 0.00 N ATOM 0 H LYS A 72 -11.172 -14.119 9.708 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.573 -16.718 10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.280 -15.573 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.664 -15.895 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.985 -18.272 7.935 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.454 -18.101 8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.369 -16.764 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.019 -17.454 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.824 -19.751 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.292 -18.932 7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.531 -19.908 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.636 -18.216 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.214 -19.010 4.541 1.00 0.00 H new ATOM 1119 N ASP A 73 -8.471 -16.052 9.919 1.00 0.00 N ATOM 1120 CA ASP A 73 -7.108 -16.568 9.976 1.00 0.00 C ATOM 1121 C ASP A 73 -6.643 -16.716 11.422 1.00 0.00 C ATOM 1122 O ASP A 73 -6.422 -17.828 11.903 1.00 0.00 O ATOM 1123 CB ASP A 73 -6.157 -15.644 9.214 1.00 0.00 C ATOM 1124 CG ASP A 73 -6.059 -16.000 7.744 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -7.083 -15.892 7.037 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -4.957 -16.386 7.300 1.00 0.00 O ATOM 0 H ASP A 73 -8.534 -15.040 9.811 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.099 -17.552 9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.499 -14.614 9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.166 -15.696 9.664 1.00 0.00 H new ATOM 1131 N VAL A 74 -6.496 -15.588 12.109 1.00 0.00 N ATOM 1132 CA VAL A 74 -6.058 -15.592 13.500 1.00 0.00 C ATOM 1133 C VAL A 74 -6.768 -16.680 14.297 1.00 0.00 C ATOM 1134 O VAL A 74 -6.190 -17.274 15.207 1.00 0.00 O ATOM 1135 CB VAL A 74 -6.312 -14.230 14.172 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -5.237 -13.229 13.775 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -7.696 -13.709 13.814 1.00 0.00 C ATOM 0 H VAL A 74 -6.674 -14.660 11.725 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.986 -15.792 13.494 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.268 -14.364 15.253 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.434 -12.273 14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.261 -13.600 14.087 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.245 -13.096 12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.858 -12.746 14.298 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.772 -13.590 12.733 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.451 -14.418 14.155 1.00 0.00 H new ATOM 1147 N ALA A 75 -8.024 -16.937 13.948 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.813 -17.956 14.629 1.00 0.00 C ATOM 1149 C ALA A 75 -8.367 -19.357 14.225 1.00 0.00 C ATOM 1150 O ALA A 75 -8.000 -20.171 15.073 1.00 0.00 O ATOM 1151 CB ALA A 75 -10.293 -17.765 14.331 1.00 0.00 C ATOM 0 H ALA A 75 -8.517 -16.453 13.197 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.653 -17.847 15.702 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.870 -18.533 14.846 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.610 -16.781 14.676 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.461 -17.844 13.257 1.00 0.00 H new ATOM 1157 N ASP A 76 -8.402 -19.632 12.926 1.00 0.00 N ATOM 1158 CA ASP A 76 -8.001 -20.935 12.409 1.00 0.00 C ATOM 1159 C ASP A 76 -6.549 -21.238 12.765 1.00 0.00 C ATOM 1160 O ASP A 76 -6.133 -22.396 12.788 1.00 0.00 O ATOM 1161 CB ASP A 76 -8.188 -20.986 10.892 1.00 0.00 C ATOM 1162 CG ASP A 76 -7.336 -22.056 10.238 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -7.491 -23.241 10.601 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -6.512 -21.709 9.366 1.00 0.00 O ATOM 0 H ASP A 76 -8.704 -18.970 12.211 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.635 -21.692 12.871 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.238 -21.172 10.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.937 -20.015 10.465 1.00 0.00 H new ATOM 1169 N TYR A 77 -5.782 -20.188 13.041 1.00 0.00 N ATOM 1170 CA TYR A 77 -4.375 -20.341 13.392 1.00 0.00 C ATOM 1171 C TYR A 77 -4.214 -20.628 14.882 1.00 0.00 C ATOM 1172 O TYR A 77 -3.455 -21.513 15.278 1.00 0.00 O ATOM 1173 CB TYR A 77 -3.594 -19.081 13.017 1.00 0.00 C ATOM 1174 CG TYR A 77 -2.177 -19.068 13.543 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -1.921 -18.973 14.905 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -1.093 -19.151 12.677 1.00 0.00 C ATOM 1177 CE1 TYR A 77 -0.627 -18.960 15.390 1.00 0.00 C ATOM 1178 CE2 TYR A 77 0.204 -19.140 13.153 1.00 0.00 C ATOM 1179 CZ TYR A 77 0.432 -19.044 14.510 1.00 0.00 C ATOM 1180 OH TYR A 77 1.722 -19.032 14.989 1.00 0.00 O ATOM 0 H TYR A 77 -6.111 -19.223 13.028 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.977 -21.187 12.832 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.570 -18.988 11.931 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.123 -18.208 13.400 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.748 -18.908 15.597 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.268 -19.225 11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.446 -18.885 16.452 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.035 -19.206 12.466 1.00 0.00 H new ATOM 0 HH TYR A 77 2.350 -19.100 14.240 1.00 0.00 H new ATOM 1190 N LYS A 78 -4.934 -19.873 15.705 1.00 0.00 N ATOM 1191 CA LYS A 78 -4.875 -20.045 17.151 1.00 0.00 C ATOM 1192 C LYS A 78 -5.933 -21.036 17.625 1.00 0.00 C ATOM 1193 O LYS A 78 -6.662 -20.771 18.581 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.070 -18.700 17.854 1.00 0.00 C ATOM 1195 CG LYS A 78 -3.946 -17.711 17.598 1.00 0.00 C ATOM 1196 CD LYS A 78 -3.893 -16.636 18.671 1.00 0.00 C ATOM 1197 CE LYS A 78 -2.552 -15.920 18.677 1.00 0.00 C ATOM 1198 NZ LYS A 78 -2.634 -14.595 19.352 1.00 0.00 N ATOM 0 H LYS A 78 -5.566 -19.135 15.394 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.892 -20.441 17.404 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.011 -18.260 17.524 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.156 -18.870 18.927 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.994 -18.241 17.566 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.085 -17.246 16.622 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.692 -15.913 18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.071 -17.086 19.648 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.812 -16.540 19.182 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.208 -15.785 17.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.700 -14.138 19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.322 -13.994 18.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.938 -14.726 20.338 1.00 0.00 H new ATOM 1212 N SER A 79 -6.011 -22.180 16.952 1.00 0.00 N ATOM 1213 CA SER A 79 -6.981 -23.210 17.303 1.00 0.00 C ATOM 1214 C SER A 79 -6.284 -24.532 17.607 1.00 0.00 C ATOM 1215 O SER A 79 -5.887 -25.262 16.698 1.00 0.00 O ATOM 1216 CB SER A 79 -7.988 -23.400 16.167 1.00 0.00 C ATOM 1217 OG SER A 79 -8.848 -22.279 16.054 1.00 0.00 O ATOM 0 H SER A 79 -5.413 -22.417 16.160 1.00 0.00 H new ATOM 0 HA SER A 79 -7.511 -22.885 18.198 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.457 -23.551 15.227 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.578 -24.298 16.347 1.00 0.00 H new ATOM 0 HG SER A 79 -8.572 -21.731 15.290 1.00 0.00 H new ATOM 1223 N LYS A 80 -6.137 -24.835 18.892 1.00 0.00 N ATOM 1224 CA LYS A 80 -5.489 -26.069 19.319 1.00 0.00 C ATOM 1225 C LYS A 80 -6.011 -26.515 20.681 1.00 0.00 C ATOM 1226 O LYS A 80 -6.354 -25.689 21.526 1.00 0.00 O ATOM 1227 CB LYS A 80 -3.972 -25.879 19.380 1.00 0.00 C ATOM 1228 CG LYS A 80 -3.541 -24.699 20.234 1.00 0.00 C ATOM 1229 CD LYS A 80 -3.452 -23.422 19.417 1.00 0.00 C ATOM 1230 CE LYS A 80 -2.530 -22.404 20.072 1.00 0.00 C ATOM 1231 NZ LYS A 80 -2.032 -21.397 19.095 1.00 0.00 N ATOM 0 H LYS A 80 -6.458 -24.242 19.657 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.723 -26.843 18.588 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.516 -26.787 19.774 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.590 -25.743 18.368 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.250 -24.561 21.050 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.572 -24.911 20.686 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.087 -23.654 18.416 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.447 -22.992 19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.062 -21.897 20.877 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.683 -22.920 20.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.996 -21.330 19.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.298 -21.687 18.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.454 -20.470 19.306 1.00 0.00 H new ATOM 1245 N GLY A 81 -6.067 -27.827 20.888 1.00 0.00 N ATOM 1246 CA GLY A 81 -6.547 -28.359 22.150 1.00 0.00 C ATOM 1247 C GLY A 81 -7.967 -28.881 22.057 1.00 0.00 C ATOM 1248 O GLY A 81 -8.709 -28.859 23.038 1.00 0.00 O ATOM 0 H GLY A 81 -5.789 -28.531 20.204 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.888 -29.164 22.476 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.499 -27.580 22.911 1.00 0.00 H new TER 1252 GLY A 81