USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 791 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 64 ASN : amide:sc= 0.195 K(o=0.72,f=-3.2!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -158:sc= 0.53 (180deg=-0.201) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.116 (180deg=-0.00772) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= -0.239 (180deg=-3.14!) USER MOD Single : A 21 ASN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0539) USER MOD Single : A 28 SER OG : rot 140:sc= -0.41 USER MOD Single : A 29 SER OG : rot 114:sc= 0.0246 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -162:sc= -0.0124 (180deg=-0.165) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 0.0236 (180deg=-0.241) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.75! C(o=-4.8!,f=-3.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 172:sc= -4.23! (180deg=-4.39!) USER MOD Single : A 67 SER OG : rot 160:sc= 0.0777 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= -0.0447 (180deg=-0.303) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.805 K(o=-0.81,f=-5.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.540 -6.547 2.061 1.00 24.51 N ATOM 2 CA MET A 1 3.638 -5.356 1.226 1.00 12.33 C ATOM 3 C MET A 1 3.951 -5.729 -0.219 1.00 55.54 C ATOM 4 O MET A 1 4.119 -6.903 -0.544 1.00 64.34 O ATOM 5 CB MET A 1 4.716 -4.415 1.767 1.00 1.23 C ATOM 6 CG MET A 1 4.269 -3.609 2.976 1.00 12.00 C ATOM 7 SD MET A 1 3.431 -2.079 2.519 1.00 4.24 S ATOM 8 CE MET A 1 4.408 -0.877 3.419 1.00 0.12 C ATOM 0 H1 MET A 1 2.585 -6.607 2.469 1.00 24.51 H new ATOM 0 H2 MET A 1 3.724 -7.392 1.483 1.00 24.51 H new ATOM 0 H3 MET A 1 4.241 -6.492 2.827 1.00 24.51 H new ATOM 0 HA MET A 1 2.675 -4.846 1.250 1.00 12.33 H new ATOM 0 HB2 MET A 1 5.596 -5.000 2.036 1.00 1.23 H new ATOM 0 HB3 MET A 1 5.019 -3.729 0.975 1.00 1.23 H new ATOM 0 HG2 MET A 1 3.601 -4.217 3.586 1.00 12.00 H new ATOM 0 HG3 MET A 1 5.137 -3.373 3.592 1.00 12.00 H new ATOM 0 HE1 MET A 1 4.013 0.122 3.238 1.00 0.12 H new ATOM 0 HE2 MET A 1 4.363 -1.097 4.486 1.00 0.12 H new ATOM 0 HE3 MET A 1 5.444 -0.924 3.082 1.00 0.12 H new ATOM 18 N ALA A 2 4.026 -4.721 -1.083 1.00 12.13 N ATOM 19 CA ALA A 2 4.320 -4.944 -2.493 1.00 12.42 C ATOM 20 C ALA A 2 5.820 -5.092 -2.724 1.00 73.01 C ATOM 21 O ALA A 2 6.628 -4.742 -1.865 1.00 52.11 O ATOM 22 CB ALA A 2 3.764 -3.804 -3.334 1.00 44.11 C ATOM 0 H ALA A 2 3.887 -3.743 -0.831 1.00 12.13 H new ATOM 0 HA ALA A 2 3.839 -5.874 -2.797 1.00 12.42 H new ATOM 0 HB1 ALA A 2 3.991 -3.983 -4.385 1.00 44.11 H new ATOM 0 HB2 ALA A 2 2.684 -3.747 -3.200 1.00 44.11 H new ATOM 0 HB3 ALA A 2 4.219 -2.865 -3.020 1.00 44.11 H new ATOM 28 N GLY A 3 6.185 -5.615 -3.891 1.00 3.31 N ATOM 29 CA GLY A 3 7.588 -5.801 -4.213 1.00 71.03 C ATOM 30 C GLY A 3 8.183 -7.017 -3.532 1.00 31.14 C ATOM 31 O GLY A 3 9.377 -7.049 -3.235 1.00 51.24 O ATOM 0 H GLY A 3 5.535 -5.913 -4.618 1.00 3.31 H new ATOM 0 HA2 GLY A 3 7.699 -5.902 -5.293 1.00 71.03 H new ATOM 0 HA3 GLY A 3 8.146 -4.913 -3.917 1.00 71.03 H new ATOM 35 N ALA A 4 7.348 -8.020 -3.281 1.00 22.44 N ATOM 36 CA ALA A 4 7.799 -9.244 -2.630 1.00 32.33 C ATOM 37 C ALA A 4 8.508 -10.163 -3.619 1.00 4.23 C ATOM 38 O ALA A 4 8.624 -9.845 -4.802 1.00 61.23 O ATOM 39 CB ALA A 4 6.622 -9.965 -1.988 1.00 42.30 C ATOM 0 H ALA A 4 6.356 -8.009 -3.518 1.00 22.44 H new ATOM 0 HA ALA A 4 8.512 -8.971 -1.852 1.00 32.33 H new ATOM 0 HB1 ALA A 4 6.973 -10.877 -1.506 1.00 42.30 H new ATOM 0 HB2 ALA A 4 6.160 -9.316 -1.244 1.00 42.30 H new ATOM 0 HB3 ALA A 4 5.889 -10.219 -2.754 1.00 42.30 H new ATOM 45 N SER A 5 8.982 -11.302 -3.125 1.00 65.45 N ATOM 46 CA SER A 5 9.685 -12.265 -3.966 1.00 22.25 C ATOM 47 C SER A 5 8.941 -13.596 -4.005 1.00 70.53 C ATOM 48 O SER A 5 9.554 -14.664 -3.983 1.00 41.12 O ATOM 49 CB SER A 5 11.110 -12.480 -3.450 1.00 53.52 C ATOM 50 OG SER A 5 11.112 -12.773 -2.064 1.00 13.32 O ATOM 0 H SER A 5 8.892 -11.581 -2.148 1.00 65.45 H new ATOM 0 HA SER A 5 9.729 -11.863 -4.978 1.00 22.25 H new ATOM 0 HB2 SER A 5 11.579 -13.297 -3.998 1.00 53.52 H new ATOM 0 HB3 SER A 5 11.706 -11.587 -3.637 1.00 53.52 H new ATOM 0 HG SER A 5 12.034 -12.908 -1.759 1.00 13.32 H new ATOM 56 N ASP A 6 7.616 -13.525 -4.064 1.00 12.50 N ATOM 57 CA ASP A 6 6.786 -14.723 -4.108 1.00 22.01 C ATOM 58 C ASP A 6 5.978 -14.778 -5.401 1.00 2.43 C ATOM 59 O ASP A 6 5.847 -15.835 -6.018 1.00 12.40 O ATOM 60 CB ASP A 6 5.846 -14.763 -2.902 1.00 51.22 C ATOM 61 CG ASP A 6 5.302 -16.153 -2.638 1.00 23.14 C ATOM 62 OD1 ASP A 6 6.113 -17.069 -2.382 1.00 15.44 O ATOM 63 OD2 ASP A 6 4.067 -16.325 -2.686 1.00 34.54 O ATOM 0 H ASP A 6 7.093 -12.649 -4.082 1.00 12.50 H new ATOM 0 HA ASP A 6 7.444 -15.592 -4.075 1.00 22.01 H new ATOM 0 HB2 ASP A 6 6.378 -14.410 -2.018 1.00 51.22 H new ATOM 0 HB3 ASP A 6 5.016 -14.077 -3.069 1.00 51.22 H new ATOM 68 N ARG A 7 5.438 -13.632 -5.804 1.00 23.01 N ATOM 69 CA ARG A 7 4.641 -13.550 -7.022 1.00 3.02 C ATOM 70 C ARG A 7 5.195 -12.485 -7.963 1.00 43.34 C ATOM 71 O ARG A 7 6.124 -11.754 -7.615 1.00 75.02 O ATOM 72 CB ARG A 7 3.183 -13.237 -6.682 1.00 51.02 C ATOM 73 CG ARG A 7 2.531 -14.274 -5.783 1.00 32.42 C ATOM 74 CD ARG A 7 1.469 -13.650 -4.892 1.00 35.25 C ATOM 75 NE ARG A 7 1.079 -14.539 -3.800 1.00 0.53 N ATOM 76 CZ ARG A 7 0.301 -14.165 -2.790 1.00 5.52 C ATOM 77 NH1 ARG A 7 -0.167 -12.926 -2.733 1.00 55.43 N ATOM 78 NH2 ARG A 7 -0.009 -15.031 -1.834 1.00 1.33 N ATOM 0 H ARG A 7 5.538 -12.748 -5.305 1.00 23.01 H new ATOM 0 HA ARG A 7 4.690 -14.516 -7.525 1.00 3.02 H new ATOM 0 HB2 ARG A 7 3.133 -12.263 -6.194 1.00 51.02 H new ATOM 0 HB3 ARG A 7 2.612 -13.160 -7.607 1.00 51.02 H new ATOM 0 HG2 ARG A 7 2.081 -15.056 -6.395 1.00 32.42 H new ATOM 0 HG3 ARG A 7 3.292 -14.751 -5.165 1.00 32.42 H new ATOM 0 HD2 ARG A 7 1.846 -12.714 -4.480 1.00 35.25 H new ATOM 0 HD3 ARG A 7 0.592 -13.405 -5.491 1.00 35.25 H new ATOM 0 HE ARG A 7 1.423 -15.499 -3.814 1.00 0.53 H new ATOM 0 HH11 ARG A 7 0.070 -12.257 -3.466 1.00 55.43 H new ATOM 0 HH12 ARG A 7 -0.764 -12.642 -1.956 1.00 55.43 H new ATOM 0 HH21 ARG A 7 0.350 -15.985 -1.874 1.00 1.33 H new ATOM 0 HH22 ARG A 7 -0.606 -14.743 -1.059 1.00 1.33 H new ATOM 92 N THR A 8 4.620 -12.402 -9.159 1.00 41.02 N ATOM 93 CA THR A 8 5.057 -11.428 -10.152 1.00 32.13 C ATOM 94 C THR A 8 4.481 -10.048 -9.858 1.00 1.43 C ATOM 95 O THR A 8 5.139 -9.031 -10.075 1.00 11.13 O ATOM 96 CB THR A 8 4.644 -11.852 -11.574 1.00 1.21 C ATOM 97 OG1 THR A 8 3.218 -11.953 -11.661 1.00 4.52 O ATOM 98 CG2 THR A 8 5.275 -13.185 -11.946 1.00 44.11 C ATOM 0 H THR A 8 3.850 -12.998 -9.463 1.00 41.02 H new ATOM 0 HA THR A 8 6.145 -11.385 -10.095 1.00 32.13 H new ATOM 0 HB THR A 8 4.997 -11.093 -12.272 1.00 1.21 H new ATOM 0 HG1 THR A 8 2.964 -12.221 -12.569 1.00 4.52 H new ATOM 0 HG21 THR A 8 4.969 -13.464 -12.954 1.00 44.11 H new ATOM 0 HG22 THR A 8 6.361 -13.097 -11.908 1.00 44.11 H new ATOM 0 HG23 THR A 8 4.948 -13.951 -11.243 1.00 44.11 H new ATOM 106 N GLY A 9 3.248 -10.019 -9.362 1.00 13.04 N ATOM 107 CA GLY A 9 2.604 -8.757 -9.045 1.00 65.14 C ATOM 108 C GLY A 9 1.868 -8.798 -7.721 1.00 54.23 C ATOM 109 O GLY A 9 0.638 -8.843 -7.688 1.00 12.40 O ATOM 0 H GLY A 9 2.683 -10.847 -9.174 1.00 13.04 H new ATOM 0 HA2 GLY A 9 3.354 -7.967 -9.016 1.00 65.14 H new ATOM 0 HA3 GLY A 9 1.903 -8.501 -9.839 1.00 65.14 H new ATOM 113 N VAL A 10 2.621 -8.784 -6.626 1.00 53.20 N ATOM 114 CA VAL A 10 2.032 -8.820 -5.293 1.00 33.02 C ATOM 115 C VAL A 10 1.111 -7.626 -5.066 1.00 63.00 C ATOM 116 O VAL A 10 1.478 -6.485 -5.347 1.00 14.22 O ATOM 117 CB VAL A 10 3.117 -8.832 -4.200 1.00 31.51 C ATOM 118 CG1 VAL A 10 2.484 -8.920 -2.820 1.00 11.05 C ATOM 119 CG2 VAL A 10 4.086 -9.983 -4.425 1.00 31.40 C ATOM 0 H VAL A 10 3.640 -8.748 -6.636 1.00 53.20 H new ATOM 0 HA VAL A 10 1.451 -9.740 -5.229 1.00 33.02 H new ATOM 0 HB VAL A 10 3.677 -7.899 -4.258 1.00 31.51 H new ATOM 0 HG11 VAL A 10 3.266 -8.927 -2.061 1.00 11.05 H new ATOM 0 HG12 VAL A 10 1.833 -8.060 -2.663 1.00 11.05 H new ATOM 0 HG13 VAL A 10 1.898 -9.836 -2.746 1.00 11.05 H new ATOM 0 HG21 VAL A 10 4.846 -9.977 -3.644 1.00 31.40 H new ATOM 0 HG22 VAL A 10 3.543 -10.927 -4.395 1.00 31.40 H new ATOM 0 HG23 VAL A 10 4.565 -9.871 -5.398 1.00 31.40 H new ATOM 129 N ARG A 11 -0.086 -7.897 -4.556 1.00 24.13 N ATOM 130 CA ARG A 11 -1.060 -6.845 -4.292 1.00 4.15 C ATOM 131 C ARG A 11 -0.720 -6.101 -3.003 1.00 52.23 C ATOM 132 O ARG A 11 -0.017 -6.625 -2.139 1.00 43.53 O ATOM 133 CB ARG A 11 -2.467 -7.436 -4.196 1.00 33.01 C ATOM 134 CG ARG A 11 -3.569 -6.440 -4.519 1.00 32.13 C ATOM 135 CD ARG A 11 -3.556 -6.051 -5.989 1.00 23.42 C ATOM 136 NE ARG A 11 -4.532 -6.812 -6.765 1.00 45.30 N ATOM 137 CZ ARG A 11 -5.846 -6.667 -6.637 1.00 62.20 C ATOM 138 NH1 ARG A 11 -6.339 -5.795 -5.768 1.00 63.14 N ATOM 139 NH2 ARG A 11 -6.670 -7.396 -7.379 1.00 40.53 N ATOM 0 H ARG A 11 -0.404 -8.836 -4.317 1.00 24.13 H new ATOM 0 HA ARG A 11 -1.027 -6.137 -5.120 1.00 4.15 H new ATOM 0 HB2 ARG A 11 -2.543 -8.283 -4.878 1.00 33.01 H new ATOM 0 HB3 ARG A 11 -2.622 -7.822 -3.189 1.00 33.01 H new ATOM 0 HG2 ARG A 11 -4.537 -6.872 -4.264 1.00 32.13 H new ATOM 0 HG3 ARG A 11 -3.446 -5.548 -3.905 1.00 32.13 H new ATOM 0 HD2 ARG A 11 -3.768 -4.986 -6.084 1.00 23.42 H new ATOM 0 HD3 ARG A 11 -2.559 -6.215 -6.399 1.00 23.42 H new ATOM 0 HE ARG A 11 -4.186 -7.492 -7.442 1.00 45.30 H new ATOM 0 HH11 ARG A 11 -5.709 -5.233 -5.196 1.00 63.14 H new ATOM 0 HH12 ARG A 11 -7.349 -5.686 -5.672 1.00 63.14 H new ATOM 0 HH21 ARG A 11 -6.294 -8.068 -8.048 1.00 40.53 H new ATOM 0 HH22 ARG A 11 -7.679 -7.284 -7.280 1.00 40.53 H new ATOM 153 N ARG A 12 -1.224 -4.877 -2.882 1.00 74.15 N ATOM 154 CA ARG A 12 -0.973 -4.061 -1.701 1.00 53.41 C ATOM 155 C ARG A 12 -2.270 -3.451 -1.176 1.00 43.31 C ATOM 156 O ARG A 12 -3.231 -3.242 -1.917 1.00 20.24 O ATOM 157 CB ARG A 12 0.030 -2.952 -2.025 1.00 52.11 C ATOM 158 CG ARG A 12 -0.477 -1.953 -3.053 1.00 31.15 C ATOM 159 CD ARG A 12 -0.267 -2.458 -4.471 1.00 63.24 C ATOM 160 NE ARG A 12 0.163 -1.393 -5.373 1.00 52.15 N ATOM 161 CZ ARG A 12 1.349 -0.800 -5.298 1.00 41.03 C ATOM 162 NH1 ARG A 12 2.219 -1.167 -4.368 1.00 5.21 N ATOM 163 NH2 ARG A 12 1.667 0.162 -6.155 1.00 71.35 N ATOM 0 H ARG A 12 -1.809 -4.429 -3.588 1.00 74.15 H new ATOM 0 HA ARG A 12 -0.555 -4.705 -0.927 1.00 53.41 H new ATOM 0 HB2 ARG A 12 0.280 -2.420 -1.107 1.00 52.11 H new ATOM 0 HB3 ARG A 12 0.951 -3.403 -2.393 1.00 52.11 H new ATOM 0 HG2 ARG A 12 -1.537 -1.764 -2.886 1.00 31.15 H new ATOM 0 HG3 ARG A 12 0.040 -1.002 -2.924 1.00 31.15 H new ATOM 0 HD2 ARG A 12 0.479 -3.252 -4.466 1.00 63.24 H new ATOM 0 HD3 ARG A 12 -1.195 -2.894 -4.842 1.00 63.24 H new ATOM 0 HE ARG A 12 -0.483 -1.088 -6.101 1.00 52.15 H new ATOM 0 HH11 ARG A 12 1.978 -1.906 -3.708 1.00 5.21 H new ATOM 0 HH12 ARG A 12 3.129 -0.710 -4.312 1.00 5.21 H new ATOM 0 HH21 ARG A 12 1.000 0.447 -6.872 1.00 71.35 H new ATOM 0 HH22 ARG A 12 2.578 0.617 -6.096 1.00 71.35 H new ATOM 177 N PRO A 13 -2.299 -3.158 0.133 1.00 41.05 N ATOM 178 CA PRO A 13 -3.471 -2.568 0.786 1.00 71.11 C ATOM 179 C PRO A 13 -3.708 -1.124 0.357 1.00 32.05 C ATOM 180 O PRO A 13 -4.772 -0.559 0.610 1.00 53.43 O ATOM 181 CB PRO A 13 -3.118 -2.633 2.274 1.00 72.41 C ATOM 182 CG PRO A 13 -1.629 -2.643 2.310 1.00 41.20 C ATOM 183 CD PRO A 13 -1.189 -3.380 1.075 1.00 14.31 C ATOM 0 HA PRO A 13 -4.390 -3.095 0.528 1.00 71.11 H new ATOM 0 HB2 PRO A 13 -3.521 -1.777 2.814 1.00 72.41 H new ATOM 0 HB3 PRO A 13 -3.531 -3.527 2.740 1.00 72.41 H new ATOM 0 HG2 PRO A 13 -1.232 -1.628 2.321 1.00 41.20 H new ATOM 0 HG3 PRO A 13 -1.264 -3.137 3.210 1.00 41.20 H new ATOM 0 HD2 PRO A 13 -0.248 -2.989 0.687 1.00 14.31 H new ATOM 0 HD3 PRO A 13 -1.036 -4.441 1.273 1.00 14.31 H new ATOM 191 N ARG A 14 -2.710 -0.533 -0.292 1.00 15.13 N ATOM 192 CA ARG A 14 -2.811 0.846 -0.754 1.00 41.04 C ATOM 193 C ARG A 14 -3.704 0.942 -1.988 1.00 14.04 C ATOM 194 O ARG A 14 -4.155 2.026 -2.359 1.00 11.05 O ATOM 195 CB ARG A 14 -1.422 1.402 -1.073 1.00 63.35 C ATOM 196 CG ARG A 14 -0.565 1.643 0.158 1.00 24.03 C ATOM 197 CD ARG A 14 0.481 2.718 -0.092 1.00 40.35 C ATOM 198 NE ARG A 14 1.421 2.334 -1.142 1.00 30.41 N ATOM 199 CZ ARG A 14 2.386 1.436 -0.972 1.00 13.43 C ATOM 200 NH1 ARG A 14 2.536 0.834 0.200 1.00 45.41 N ATOM 201 NH2 ARG A 14 3.202 1.139 -1.975 1.00 53.50 N ATOM 0 H ARG A 14 -1.823 -0.987 -0.510 1.00 15.13 H new ATOM 0 HA ARG A 14 -3.258 1.438 0.044 1.00 41.04 H new ATOM 0 HB2 ARG A 14 -0.905 0.707 -1.735 1.00 63.35 H new ATOM 0 HB3 ARG A 14 -1.532 2.340 -1.618 1.00 63.35 H new ATOM 0 HG2 ARG A 14 -1.200 1.939 0.992 1.00 24.03 H new ATOM 0 HG3 ARG A 14 -0.072 0.715 0.447 1.00 24.03 H new ATOM 0 HD2 ARG A 14 -0.014 3.648 -0.371 1.00 40.35 H new ATOM 0 HD3 ARG A 14 1.028 2.913 0.830 1.00 40.35 H new ATOM 0 HE ARG A 14 1.332 2.779 -2.055 1.00 30.41 H new ATOM 0 HH11 ARG A 14 1.910 1.060 0.973 1.00 45.41 H new ATOM 0 HH12 ARG A 14 3.277 0.145 0.328 1.00 45.41 H new ATOM 0 HH21 ARG A 14 3.089 1.600 -2.878 1.00 53.50 H new ATOM 0 HH22 ARG A 14 3.942 0.450 -1.843 1.00 53.50 H new ATOM 215 N LYS A 15 -3.956 -0.199 -2.619 1.00 74.34 N ATOM 216 CA LYS A 15 -4.796 -0.246 -3.810 1.00 53.24 C ATOM 217 C LYS A 15 -6.126 0.460 -3.566 1.00 50.44 C ATOM 218 O LYS A 15 -6.910 0.050 -2.711 1.00 24.11 O ATOM 219 CB LYS A 15 -5.046 -1.697 -4.227 1.00 33.01 C ATOM 220 CG LYS A 15 -3.832 -2.372 -4.841 1.00 3.43 C ATOM 221 CD LYS A 15 -3.604 -1.915 -6.272 1.00 0.21 C ATOM 222 CE LYS A 15 -4.718 -2.390 -7.193 1.00 25.14 C ATOM 223 NZ LYS A 15 -4.248 -2.545 -8.597 1.00 63.31 N ATOM 0 H LYS A 15 -3.590 -1.105 -2.325 1.00 74.34 H new ATOM 0 HA LYS A 15 -4.272 0.271 -4.614 1.00 53.24 H new ATOM 0 HB2 LYS A 15 -5.365 -2.267 -3.354 1.00 33.01 H new ATOM 0 HB3 LYS A 15 -5.867 -1.724 -4.943 1.00 33.01 H new ATOM 0 HG2 LYS A 15 -2.949 -2.149 -4.242 1.00 3.43 H new ATOM 0 HG3 LYS A 15 -3.967 -3.453 -4.821 1.00 3.43 H new ATOM 0 HD2 LYS A 15 -3.544 -0.827 -6.303 1.00 0.21 H new ATOM 0 HD3 LYS A 15 -2.648 -2.297 -6.629 1.00 0.21 H new ATOM 0 HE2 LYS A 15 -5.106 -3.343 -6.833 1.00 25.14 H new ATOM 0 HE3 LYS A 15 -5.543 -1.678 -7.163 1.00 25.14 H new ATOM 0 HZ1 LYS A 15 -5.036 -2.870 -9.193 1.00 63.31 H new ATOM 0 HZ2 LYS A 15 -3.901 -1.630 -8.950 1.00 63.31 H new ATOM 0 HZ3 LYS A 15 -3.478 -3.243 -8.630 1.00 63.31 H new ATOM 237 N ALA A 16 -6.374 1.523 -4.324 1.00 52.44 N ATOM 238 CA ALA A 16 -7.611 2.284 -4.192 1.00 63.14 C ATOM 239 C ALA A 16 -8.761 1.592 -4.917 1.00 4.14 C ATOM 240 O ALA A 16 -9.931 1.873 -4.657 1.00 2.44 O ATOM 241 CB ALA A 16 -7.421 3.696 -4.727 1.00 33.04 C ATOM 0 H ALA A 16 -5.735 1.877 -5.036 1.00 52.44 H new ATOM 0 HA ALA A 16 -7.864 2.339 -3.133 1.00 63.14 H new ATOM 0 HB1 ALA A 16 -8.352 4.253 -4.622 1.00 33.04 H new ATOM 0 HB2 ALA A 16 -6.634 4.196 -4.163 1.00 33.04 H new ATOM 0 HB3 ALA A 16 -7.141 3.652 -5.779 1.00 33.04 H new ATOM 247 N LYS A 17 -8.421 0.686 -5.827 1.00 44.21 N ATOM 248 CA LYS A 17 -9.424 -0.047 -6.589 1.00 72.15 C ATOM 249 C LYS A 17 -10.332 -0.850 -5.663 1.00 12.50 C ATOM 250 O LYS A 17 -11.495 -1.101 -5.981 1.00 64.50 O ATOM 251 CB LYS A 17 -8.748 -0.983 -7.594 1.00 51.42 C ATOM 252 CG LYS A 17 -9.687 -1.500 -8.671 1.00 4.42 C ATOM 253 CD LYS A 17 -9.658 -0.616 -9.906 1.00 55.25 C ATOM 254 CE LYS A 17 -10.639 0.541 -9.787 1.00 22.02 C ATOM 255 NZ LYS A 17 -11.124 0.997 -11.119 1.00 33.42 N ATOM 0 H LYS A 17 -7.457 0.442 -6.055 1.00 44.21 H new ATOM 0 HA LYS A 17 -10.034 0.677 -7.129 1.00 72.15 H new ATOM 0 HB2 LYS A 17 -7.920 -0.456 -8.068 1.00 51.42 H new ATOM 0 HB3 LYS A 17 -8.321 -1.831 -7.058 1.00 51.42 H new ATOM 0 HG2 LYS A 17 -9.405 -2.517 -8.944 1.00 4.42 H new ATOM 0 HG3 LYS A 17 -10.703 -1.545 -8.278 1.00 4.42 H new ATOM 0 HD2 LYS A 17 -8.651 -0.227 -10.052 1.00 55.25 H new ATOM 0 HD3 LYS A 17 -9.901 -1.211 -10.786 1.00 55.25 H new ATOM 0 HE2 LYS A 17 -11.489 0.235 -9.176 1.00 22.02 H new ATOM 0 HE3 LYS A 17 -10.159 1.373 -9.271 1.00 22.02 H new ATOM 0 HZ1 LYS A 17 -11.790 1.786 -10.994 1.00 33.42 H new ATOM 0 HZ2 LYS A 17 -10.316 1.313 -11.693 1.00 33.42 H new ATOM 0 HZ3 LYS A 17 -11.605 0.211 -11.601 1.00 33.42 H new ATOM 269 N LYS A 18 -9.795 -1.248 -4.515 1.00 10.43 N ATOM 270 CA LYS A 18 -10.557 -2.019 -3.540 1.00 22.11 C ATOM 271 C LYS A 18 -11.587 -1.141 -2.836 1.00 62.22 C ATOM 272 O LYS A 18 -11.696 0.052 -3.119 1.00 75.13 O ATOM 273 CB LYS A 18 -9.617 -2.647 -2.509 1.00 4.04 C ATOM 274 CG LYS A 18 -9.074 -1.654 -1.495 1.00 55.44 C ATOM 275 CD LYS A 18 -7.730 -2.097 -0.944 1.00 44.03 C ATOM 276 CE LYS A 18 -7.895 -3.014 0.257 1.00 22.55 C ATOM 277 NZ LYS A 18 -6.773 -2.867 1.226 1.00 33.20 N ATOM 0 H LYS A 18 -8.834 -1.049 -4.237 1.00 10.43 H new ATOM 0 HA LYS A 18 -11.084 -2.811 -4.072 1.00 22.11 H new ATOM 0 HB2 LYS A 18 -10.148 -3.439 -1.981 1.00 4.04 H new ATOM 0 HB3 LYS A 18 -8.782 -3.115 -3.029 1.00 4.04 H new ATOM 0 HG2 LYS A 18 -8.971 -0.675 -1.963 1.00 55.44 H new ATOM 0 HG3 LYS A 18 -9.785 -1.543 -0.676 1.00 55.44 H new ATOM 0 HD2 LYS A 18 -7.169 -2.613 -1.723 1.00 44.03 H new ATOM 0 HD3 LYS A 18 -7.147 -1.222 -0.657 1.00 44.03 H new ATOM 0 HE2 LYS A 18 -8.838 -2.792 0.757 1.00 22.55 H new ATOM 0 HE3 LYS A 18 -7.950 -4.049 -0.081 1.00 22.55 H new ATOM 0 HZ1 LYS A 18 -6.195 -3.732 1.222 1.00 33.20 H new ATOM 0 HZ2 LYS A 18 -6.183 -2.055 0.954 1.00 33.20 H new ATOM 0 HZ3 LYS A 18 -7.156 -2.712 2.180 1.00 33.20 H new ATOM 291 N ASP A 19 -12.338 -1.739 -1.918 1.00 51.20 N ATOM 292 CA ASP A 19 -13.358 -1.010 -1.172 1.00 24.31 C ATOM 293 C ASP A 19 -12.725 0.072 -0.302 1.00 72.14 C ATOM 294 O ASP A 19 -11.560 -0.012 0.086 1.00 10.14 O ATOM 295 CB ASP A 19 -14.168 -1.972 -0.302 1.00 30.23 C ATOM 296 CG ASP A 19 -15.308 -2.621 -1.063 1.00 4.14 C ATOM 297 OD1 ASP A 19 -16.235 -1.894 -1.477 1.00 2.32 O ATOM 298 OD2 ASP A 19 -15.272 -3.856 -1.245 1.00 1.34 O ATOM 0 H ASP A 19 -12.260 -2.726 -1.672 1.00 51.20 H new ATOM 0 HA ASP A 19 -14.025 -0.531 -1.889 1.00 24.31 H new ATOM 0 HB2 ASP A 19 -13.508 -2.747 0.089 1.00 30.23 H new ATOM 0 HB3 ASP A 19 -14.569 -1.432 0.556 1.00 30.23 H new ATOM 303 N PRO A 20 -13.510 1.114 0.010 1.00 42.00 N ATOM 304 CA PRO A 20 -13.048 2.233 0.836 1.00 4.22 C ATOM 305 C PRO A 20 -12.836 1.831 2.292 1.00 70.43 C ATOM 306 O PRO A 20 -11.856 2.229 2.919 1.00 0.14 O ATOM 307 CB PRO A 20 -14.185 3.251 0.723 1.00 51.21 C ATOM 308 CG PRO A 20 -15.393 2.437 0.411 1.00 63.43 C ATOM 309 CD PRO A 20 -14.909 1.280 -0.419 1.00 23.31 C ATOM 0 HA PRO A 20 -12.082 2.613 0.503 1.00 4.22 H new ATOM 0 HB2 PRO A 20 -14.312 3.808 1.652 1.00 51.21 H new ATOM 0 HB3 PRO A 20 -13.986 3.981 -0.062 1.00 51.21 H new ATOM 0 HG2 PRO A 20 -15.875 2.088 1.324 1.00 63.43 H new ATOM 0 HG3 PRO A 20 -16.131 3.026 -0.133 1.00 63.43 H new ATOM 0 HD2 PRO A 20 -15.495 0.380 -0.234 1.00 23.31 H new ATOM 0 HD3 PRO A 20 -14.980 1.493 -1.486 1.00 23.31 H new ATOM 317 N ASN A 21 -13.762 1.038 2.822 1.00 24.11 N ATOM 318 CA ASN A 21 -13.676 0.581 4.205 1.00 42.34 C ATOM 319 C ASN A 21 -13.490 1.760 5.156 1.00 34.50 C ATOM 320 O ASN A 21 -12.876 1.625 6.214 1.00 15.40 O ATOM 321 CB ASN A 21 -12.519 -0.406 4.367 1.00 65.45 C ATOM 322 CG ASN A 21 -12.659 -1.615 3.461 1.00 2.30 C ATOM 323 OD1 ASN A 21 -11.711 -2.008 2.781 1.00 21.21 O ATOM 324 ND2 ASN A 21 -13.846 -2.210 3.448 1.00 0.32 N ATOM 0 H ASN A 21 -14.580 0.699 2.316 1.00 24.11 H new ATOM 0 HA ASN A 21 -14.611 0.079 4.455 1.00 42.34 H new ATOM 0 HB2 ASN A 21 -11.579 0.101 4.149 1.00 65.45 H new ATOM 0 HB3 ASN A 21 -12.470 -0.737 5.404 1.00 65.45 H new ATOM 0 HD21 ASN A 21 -14.000 -3.027 2.858 1.00 0.32 H new ATOM 0 HD22 ASN A 21 -14.604 -1.850 4.028 1.00 0.32 H new ATOM 331 N ALA A 22 -14.026 2.913 4.772 1.00 52.44 N ATOM 332 CA ALA A 22 -13.922 4.114 5.591 1.00 15.41 C ATOM 333 C ALA A 22 -15.064 4.192 6.599 1.00 32.50 C ATOM 334 O ALA A 22 -16.102 3.546 6.449 1.00 41.45 O ATOM 335 CB ALA A 22 -13.909 5.355 4.710 1.00 21.21 C ATOM 0 H ALA A 22 -14.537 3.041 3.899 1.00 52.44 H new ATOM 0 HA ALA A 22 -12.985 4.065 6.145 1.00 15.41 H new ATOM 0 HB1 ALA A 22 -13.831 6.244 5.335 1.00 21.21 H new ATOM 0 HB2 ALA A 22 -13.056 5.312 4.033 1.00 21.21 H new ATOM 0 HB3 ALA A 22 -14.831 5.399 4.130 1.00 21.21 H new ATOM 341 N PRO A 23 -14.871 4.999 7.653 1.00 63.42 N ATOM 342 CA PRO A 23 -15.874 5.179 8.707 1.00 63.25 C ATOM 343 C PRO A 23 -17.096 5.948 8.218 1.00 73.13 C ATOM 344 O PRO A 23 -16.977 7.054 7.691 1.00 52.31 O ATOM 345 CB PRO A 23 -15.127 5.984 9.773 1.00 20.41 C ATOM 346 CG PRO A 23 -14.061 6.706 9.025 1.00 43.42 C ATOM 347 CD PRO A 23 -13.658 5.798 7.896 1.00 31.23 C ATOM 0 HA PRO A 23 -16.263 4.227 9.067 1.00 63.25 H new ATOM 0 HB2 PRO A 23 -15.793 6.680 10.283 1.00 20.41 H new ATOM 0 HB3 PRO A 23 -14.703 5.332 10.536 1.00 20.41 H new ATOM 0 HG2 PRO A 23 -14.428 7.660 8.646 1.00 43.42 H new ATOM 0 HG3 PRO A 23 -13.211 6.925 9.671 1.00 43.42 H new ATOM 0 HD2 PRO A 23 -13.365 6.363 7.011 1.00 31.23 H new ATOM 0 HD3 PRO A 23 -12.810 5.169 8.169 1.00 31.23 H new ATOM 355 N LYS A 24 -18.272 5.355 8.396 1.00 53.43 N ATOM 356 CA LYS A 24 -19.518 5.985 7.975 1.00 72.04 C ATOM 357 C LYS A 24 -20.331 6.444 9.181 1.00 20.41 C ATOM 358 O LYS A 24 -21.551 6.586 9.102 1.00 73.45 O ATOM 359 CB LYS A 24 -20.344 5.013 7.129 1.00 35.03 C ATOM 360 CG LYS A 24 -19.983 5.031 5.654 1.00 12.01 C ATOM 361 CD LYS A 24 -18.704 4.256 5.384 1.00 53.43 C ATOM 362 CE LYS A 24 -18.537 3.956 3.902 1.00 10.40 C ATOM 363 NZ LYS A 24 -18.575 5.196 3.077 1.00 30.24 N ATOM 0 H LYS A 24 -18.388 4.439 8.829 1.00 53.43 H new ATOM 0 HA LYS A 24 -19.269 6.859 7.374 1.00 72.04 H new ATOM 0 HB2 LYS A 24 -20.208 4.003 7.515 1.00 35.03 H new ATOM 0 HB3 LYS A 24 -21.401 5.257 7.239 1.00 35.03 H new ATOM 0 HG2 LYS A 24 -20.799 4.601 5.073 1.00 12.01 H new ATOM 0 HG3 LYS A 24 -19.862 6.062 5.320 1.00 12.01 H new ATOM 0 HD2 LYS A 24 -17.848 4.830 5.739 1.00 53.43 H new ATOM 0 HD3 LYS A 24 -18.717 3.322 5.946 1.00 53.43 H new ATOM 0 HE2 LYS A 24 -17.590 3.441 3.740 1.00 10.40 H new ATOM 0 HE3 LYS A 24 -19.327 3.279 3.577 1.00 10.40 H new ATOM 0 HZ1 LYS A 24 -18.291 4.973 2.102 1.00 30.24 H new ATOM 0 HZ2 LYS A 24 -19.540 5.583 3.077 1.00 30.24 H new ATOM 0 HZ3 LYS A 24 -17.920 5.899 3.476 1.00 30.24 H new ATOM 377 N ARG A 25 -19.647 6.675 10.297 1.00 64.14 N ATOM 378 CA ARG A 25 -20.306 7.118 11.519 1.00 24.13 C ATOM 379 C ARG A 25 -20.260 8.638 11.641 1.00 2.24 C ATOM 380 O ARG A 25 -19.608 9.315 10.847 1.00 3.22 O ATOM 381 CB ARG A 25 -19.644 6.477 12.741 1.00 14.31 C ATOM 382 CG ARG A 25 -20.623 5.760 13.657 1.00 3.20 C ATOM 383 CD ARG A 25 -21.026 6.634 14.835 1.00 70.34 C ATOM 384 NE ARG A 25 -20.926 5.920 16.105 1.00 51.20 N ATOM 385 CZ ARG A 25 -19.774 5.544 16.648 1.00 44.11 C ATOM 386 NH1 ARG A 25 -18.629 5.813 16.035 1.00 71.44 N ATOM 387 NH2 ARG A 25 -19.764 4.898 17.807 1.00 13.31 N ATOM 0 H ARG A 25 -18.637 6.563 10.380 1.00 64.14 H new ATOM 0 HA ARG A 25 -21.349 6.806 11.474 1.00 24.13 H new ATOM 0 HB2 ARG A 25 -18.888 5.768 12.404 1.00 14.31 H new ATOM 0 HB3 ARG A 25 -19.126 7.249 13.310 1.00 14.31 H new ATOM 0 HG2 ARG A 25 -21.511 5.477 13.092 1.00 3.20 H new ATOM 0 HG3 ARG A 25 -20.171 4.838 14.024 1.00 3.20 H new ATOM 0 HD2 ARG A 25 -20.389 7.518 14.865 1.00 70.34 H new ATOM 0 HD3 ARG A 25 -22.049 6.983 14.695 1.00 70.34 H new ATOM 0 HE ARG A 25 -21.788 5.698 16.602 1.00 51.20 H new ATOM 0 HH11 ARG A 25 -18.632 6.310 15.144 1.00 71.44 H new ATOM 0 HH12 ARG A 25 -17.746 5.523 16.454 1.00 71.44 H new ATOM 0 HH21 ARG A 25 -20.642 4.689 18.282 1.00 13.31 H new ATOM 0 HH22 ARG A 25 -18.878 4.610 18.223 1.00 13.31 H new ATOM 401 N ALA A 26 -20.957 9.168 12.641 1.00 33.42 N ATOM 402 CA ALA A 26 -20.995 10.607 12.868 1.00 31.01 C ATOM 403 C ALA A 26 -20.088 11.004 14.028 1.00 34.22 C ATOM 404 O ALA A 26 -19.764 10.181 14.885 1.00 3.05 O ATOM 405 CB ALA A 26 -22.423 11.062 13.132 1.00 43.43 C ATOM 0 H ALA A 26 -21.503 8.622 13.307 1.00 33.42 H new ATOM 0 HA ALA A 26 -20.628 11.102 11.969 1.00 31.01 H new ATOM 0 HB1 ALA A 26 -22.437 12.139 13.300 1.00 43.43 H new ATOM 0 HB2 ALA A 26 -23.047 10.821 12.271 1.00 43.43 H new ATOM 0 HB3 ALA A 26 -22.810 10.552 14.014 1.00 43.43 H new ATOM 411 N LEU A 27 -19.682 12.268 14.049 1.00 1.34 N ATOM 412 CA LEU A 27 -18.811 12.775 15.105 1.00 73.52 C ATOM 413 C LEU A 27 -19.472 12.630 16.472 1.00 70.20 C ATOM 414 O LEU A 27 -20.620 13.031 16.663 1.00 2.24 O ATOM 415 CB LEU A 27 -18.464 14.242 14.846 1.00 23.45 C ATOM 416 CG LEU A 27 -17.233 14.496 13.976 1.00 42.53 C ATOM 417 CD1 LEU A 27 -17.230 13.568 12.771 1.00 42.40 C ATOM 418 CD2 LEU A 27 -17.186 15.951 13.531 1.00 72.01 C ATOM 0 H LEU A 27 -19.941 12.961 13.347 1.00 1.34 H new ATOM 0 HA LEU A 27 -17.894 12.185 15.101 1.00 73.52 H new ATOM 0 HB2 LEU A 27 -19.323 14.720 14.374 1.00 23.45 H new ATOM 0 HB3 LEU A 27 -18.313 14.734 15.807 1.00 23.45 H new ATOM 0 HG LEU A 27 -16.343 14.289 14.570 1.00 42.53 H new ATOM 0 HD11 LEU A 27 -16.346 13.763 12.163 1.00 42.40 H new ATOM 0 HD12 LEU A 27 -17.216 12.532 13.110 1.00 42.40 H new ATOM 0 HD13 LEU A 27 -18.126 13.743 12.175 1.00 42.40 H new ATOM 0 HD21 LEU A 27 -16.303 16.114 12.913 1.00 72.01 H new ATOM 0 HD22 LEU A 27 -18.081 16.184 12.954 1.00 72.01 H new ATOM 0 HD23 LEU A 27 -17.140 16.598 14.407 1.00 72.01 H new ATOM 430 N SER A 28 -18.739 12.056 17.420 1.00 24.42 N ATOM 431 CA SER A 28 -19.254 11.856 18.770 1.00 42.53 C ATOM 432 C SER A 28 -19.816 13.158 19.334 1.00 21.31 C ATOM 433 O SER A 28 -19.586 14.235 18.786 1.00 53.54 O ATOM 434 CB SER A 28 -18.151 11.324 19.686 1.00 5.33 C ATOM 435 OG SER A 28 -18.601 11.232 21.027 1.00 53.14 O ATOM 0 H SER A 28 -17.786 11.721 17.279 1.00 24.42 H new ATOM 0 HA SER A 28 -20.059 11.123 18.721 1.00 42.53 H new ATOM 0 HB2 SER A 28 -17.828 10.342 19.339 1.00 5.33 H new ATOM 0 HB3 SER A 28 -17.283 11.981 19.635 1.00 5.33 H new ATOM 0 HG SER A 28 -18.257 10.408 21.432 1.00 53.14 H new ATOM 441 N SER A 29 -20.554 13.048 20.434 1.00 10.21 N ATOM 442 CA SER A 29 -21.153 14.215 21.072 1.00 70.21 C ATOM 443 C SER A 29 -20.100 15.023 21.824 1.00 33.03 C ATOM 444 O SER A 29 -19.800 16.161 21.463 1.00 13.34 O ATOM 445 CB SER A 29 -22.264 13.784 22.032 1.00 65.52 C ATOM 446 OG SER A 29 -22.505 14.778 23.012 1.00 52.22 O ATOM 0 H SER A 29 -20.752 12.163 20.902 1.00 10.21 H new ATOM 0 HA SER A 29 -21.581 14.845 20.292 1.00 70.21 H new ATOM 0 HB2 SER A 29 -23.179 13.592 21.472 1.00 65.52 H new ATOM 0 HB3 SER A 29 -21.986 12.849 22.519 1.00 65.52 H new ATOM 0 HG SER A 29 -23.404 15.148 22.889 1.00 52.22 H new ATOM 452 N TYR A 30 -19.543 14.426 22.872 1.00 10.20 N ATOM 453 CA TYR A 30 -18.525 15.090 23.678 1.00 54.20 C ATOM 454 C TYR A 30 -17.149 14.961 23.033 1.00 71.35 C ATOM 455 O TYR A 30 -16.328 15.874 23.107 1.00 51.41 O ATOM 456 CB TYR A 30 -18.497 14.500 25.089 1.00 61.22 C ATOM 457 CG TYR A 30 -17.772 15.367 26.093 1.00 33.15 C ATOM 458 CD1 TYR A 30 -18.434 16.386 26.767 1.00 34.20 C ATOM 459 CD2 TYR A 30 -16.425 15.166 26.370 1.00 54.32 C ATOM 460 CE1 TYR A 30 -17.776 17.181 27.685 1.00 20.31 C ATOM 461 CE2 TYR A 30 -15.759 15.955 27.287 1.00 12.44 C ATOM 462 CZ TYR A 30 -16.439 16.962 27.942 1.00 23.40 C ATOM 463 OH TYR A 30 -15.780 17.750 28.857 1.00 44.41 O ATOM 0 H TYR A 30 -19.779 13.484 23.183 1.00 10.20 H new ATOM 0 HA TYR A 30 -18.779 16.148 23.739 1.00 54.20 H new ATOM 0 HB2 TYR A 30 -19.521 14.344 25.429 1.00 61.22 H new ATOM 0 HB3 TYR A 30 -18.019 13.521 25.055 1.00 61.22 H new ATOM 0 HD1 TYR A 30 -19.482 16.559 26.570 1.00 34.20 H new ATOM 0 HD2 TYR A 30 -15.890 14.379 25.859 1.00 54.32 H new ATOM 0 HE1 TYR A 30 -18.306 17.970 28.199 1.00 20.31 H new ATOM 0 HE2 TYR A 30 -14.712 15.785 27.491 1.00 12.44 H new ATOM 0 HH TYR A 30 -14.845 17.464 28.922 1.00 44.41 H new ATOM 473 N MET A 31 -16.905 13.818 22.398 1.00 13.45 N ATOM 474 CA MET A 31 -15.629 13.569 21.738 1.00 75.23 C ATOM 475 C MET A 31 -15.523 14.366 20.442 1.00 54.14 C ATOM 476 O MET A 31 -14.483 14.365 19.784 1.00 5.20 O ATOM 477 CB MET A 31 -15.465 12.076 21.447 1.00 61.13 C ATOM 478 CG MET A 31 -14.185 11.484 22.014 1.00 32.42 C ATOM 479 SD MET A 31 -14.437 9.852 22.738 1.00 24.44 S ATOM 480 CE MET A 31 -15.367 10.274 24.209 1.00 31.35 C ATOM 0 H MET A 31 -17.574 13.051 22.327 1.00 13.45 H new ATOM 0 HA MET A 31 -14.832 13.891 22.408 1.00 75.23 H new ATOM 0 HB2 MET A 31 -16.318 11.538 21.859 1.00 61.13 H new ATOM 0 HB3 MET A 31 -15.481 11.920 20.368 1.00 61.13 H new ATOM 0 HG2 MET A 31 -13.439 11.415 21.222 1.00 32.42 H new ATOM 0 HG3 MET A 31 -13.783 12.156 22.773 1.00 32.42 H new ATOM 0 HE1 MET A 31 -15.326 9.445 24.916 1.00 31.35 H new ATOM 0 HE2 MET A 31 -14.937 11.164 24.669 1.00 31.35 H new ATOM 0 HE3 MET A 31 -16.405 10.470 23.940 1.00 31.35 H new ATOM 490 N PHE A 32 -16.607 15.045 20.080 1.00 43.44 N ATOM 491 CA PHE A 32 -16.635 15.846 18.861 1.00 34.11 C ATOM 492 C PHE A 32 -15.355 16.663 18.717 1.00 64.44 C ATOM 493 O PHE A 32 -14.878 16.900 17.606 1.00 30.34 O ATOM 494 CB PHE A 32 -17.850 16.777 18.866 1.00 44.03 C ATOM 495 CG PHE A 32 -17.651 18.017 19.689 1.00 2.23 C ATOM 496 CD1 PHE A 32 -17.548 17.940 21.069 1.00 71.32 C ATOM 497 CD2 PHE A 32 -17.567 19.261 19.084 1.00 70.32 C ATOM 498 CE1 PHE A 32 -17.365 19.079 21.830 1.00 42.03 C ATOM 499 CE2 PHE A 32 -17.383 20.403 19.839 1.00 13.34 C ATOM 500 CZ PHE A 32 -17.283 20.313 21.214 1.00 73.40 C ATOM 0 H PHE A 32 -17.477 15.057 20.613 1.00 43.44 H new ATOM 0 HA PHE A 32 -16.709 15.167 18.011 1.00 34.11 H new ATOM 0 HB2 PHE A 32 -18.082 17.064 17.840 1.00 44.03 H new ATOM 0 HB3 PHE A 32 -18.714 16.232 19.247 1.00 44.03 H new ATOM 0 HD1 PHE A 32 -17.612 16.978 21.556 1.00 71.32 H new ATOM 0 HD2 PHE A 32 -17.646 19.338 18.010 1.00 70.32 H new ATOM 0 HE1 PHE A 32 -17.286 19.005 22.905 1.00 42.03 H new ATOM 0 HE2 PHE A 32 -17.317 21.366 19.355 1.00 13.34 H new ATOM 0 HZ PHE A 32 -17.141 21.205 21.806 1.00 73.40 H new ATOM 510 N PHE A 33 -14.802 17.091 19.847 1.00 75.11 N ATOM 511 CA PHE A 33 -13.578 17.883 19.848 1.00 62.45 C ATOM 512 C PHE A 33 -12.490 17.203 19.021 1.00 74.23 C ATOM 513 O PHE A 33 -11.896 17.815 18.134 1.00 52.12 O ATOM 514 CB PHE A 33 -13.085 18.098 21.280 1.00 14.01 C ATOM 515 CG PHE A 33 -11.868 18.973 21.370 1.00 12.43 C ATOM 516 CD1 PHE A 33 -11.987 20.353 21.330 1.00 44.41 C ATOM 517 CD2 PHE A 33 -10.606 18.417 21.496 1.00 62.40 C ATOM 518 CE1 PHE A 33 -10.868 21.161 21.412 1.00 51.11 C ATOM 519 CE2 PHE A 33 -9.484 19.219 21.579 1.00 44.31 C ATOM 520 CZ PHE A 33 -9.615 20.593 21.538 1.00 52.42 C ATOM 0 H PHE A 33 -15.183 16.902 20.774 1.00 75.11 H new ATOM 0 HA PHE A 33 -13.801 18.851 19.399 1.00 62.45 H new ATOM 0 HB2 PHE A 33 -13.887 18.543 21.869 1.00 14.01 H new ATOM 0 HB3 PHE A 33 -12.860 17.130 21.728 1.00 14.01 H new ATOM 0 HD1 PHE A 33 -12.964 20.802 21.234 1.00 44.41 H new ATOM 0 HD2 PHE A 33 -10.497 17.343 21.530 1.00 62.40 H new ATOM 0 HE1 PHE A 33 -10.973 22.235 21.378 1.00 51.11 H new ATOM 0 HE2 PHE A 33 -8.506 18.772 21.676 1.00 44.31 H new ATOM 0 HZ PHE A 33 -8.740 21.222 21.604 1.00 52.42 H new ATOM 530 N ALA A 34 -12.235 15.933 19.319 1.00 54.10 N ATOM 531 CA ALA A 34 -11.221 15.169 18.603 1.00 12.13 C ATOM 532 C ALA A 34 -11.787 14.576 17.317 1.00 24.13 C ATOM 533 O ALA A 34 -11.130 14.585 16.276 1.00 50.03 O ATOM 534 CB ALA A 34 -10.663 14.069 19.494 1.00 74.43 C ATOM 0 H ALA A 34 -12.717 15.412 20.051 1.00 54.10 H new ATOM 0 HA ALA A 34 -10.412 15.848 18.333 1.00 12.13 H new ATOM 0 HB1 ALA A 34 -9.907 13.506 18.947 1.00 74.43 H new ATOM 0 HB2 ALA A 34 -10.213 14.513 20.382 1.00 74.43 H new ATOM 0 HB3 ALA A 34 -11.469 13.399 19.792 1.00 74.43 H new ATOM 540 N LYS A 35 -13.008 14.060 17.396 1.00 33.45 N ATOM 541 CA LYS A 35 -13.663 13.462 16.239 1.00 14.00 C ATOM 542 C LYS A 35 -13.781 14.470 15.100 1.00 71.30 C ATOM 543 O LYS A 35 -13.932 14.092 13.939 1.00 61.32 O ATOM 544 CB LYS A 35 -15.052 12.946 16.623 1.00 10.01 C ATOM 545 CG LYS A 35 -15.031 11.915 17.738 1.00 22.21 C ATOM 546 CD LYS A 35 -14.139 10.735 17.390 1.00 45.23 C ATOM 547 CE LYS A 35 -14.565 9.476 18.130 1.00 45.53 C ATOM 548 NZ LYS A 35 -13.623 9.136 19.232 1.00 33.13 N ATOM 0 H LYS A 35 -13.565 14.044 18.250 1.00 33.45 H new ATOM 0 HA LYS A 35 -13.052 12.625 15.899 1.00 14.00 H new ATOM 0 HB2 LYS A 35 -15.671 13.789 16.930 1.00 10.01 H new ATOM 0 HB3 LYS A 35 -15.524 12.508 15.743 1.00 10.01 H new ATOM 0 HG2 LYS A 35 -14.678 12.380 18.658 1.00 22.21 H new ATOM 0 HG3 LYS A 35 -16.045 11.562 17.928 1.00 22.21 H new ATOM 0 HD2 LYS A 35 -14.174 10.556 16.315 1.00 45.23 H new ATOM 0 HD3 LYS A 35 -13.105 10.973 17.640 1.00 45.23 H new ATOM 0 HE2 LYS A 35 -15.566 9.615 18.538 1.00 45.53 H new ATOM 0 HE3 LYS A 35 -14.620 8.643 17.429 1.00 45.53 H new ATOM 0 HZ1 LYS A 35 -13.610 8.106 19.372 1.00 33.13 H new ATOM 0 HZ2 LYS A 35 -12.667 9.464 18.986 1.00 33.13 H new ATOM 0 HZ3 LYS A 35 -13.933 9.600 20.109 1.00 33.13 H new ATOM 562 N GLU A 36 -13.710 15.753 15.441 1.00 63.40 N ATOM 563 CA GLU A 36 -13.808 16.814 14.445 1.00 23.54 C ATOM 564 C GLU A 36 -12.731 16.656 13.375 1.00 15.40 C ATOM 565 O GLU A 36 -12.881 17.138 12.252 1.00 74.43 O ATOM 566 CB GLU A 36 -13.681 18.184 15.114 1.00 53.01 C ATOM 567 CG GLU A 36 -13.776 19.347 14.141 1.00 51.12 C ATOM 568 CD GLU A 36 -13.742 20.694 14.836 1.00 1.03 C ATOM 569 OE1 GLU A 36 -14.061 20.746 16.043 1.00 41.32 O ATOM 570 OE2 GLU A 36 -13.397 21.695 14.175 1.00 2.31 O ATOM 0 H GLU A 36 -13.585 16.083 16.398 1.00 63.40 H new ATOM 0 HA GLU A 36 -14.785 16.740 13.967 1.00 23.54 H new ATOM 0 HB2 GLU A 36 -14.463 18.286 15.866 1.00 53.01 H new ATOM 0 HB3 GLU A 36 -12.726 18.236 15.638 1.00 53.01 H new ATOM 0 HG2 GLU A 36 -12.952 19.289 13.430 1.00 51.12 H new ATOM 0 HG3 GLU A 36 -14.699 19.262 13.568 1.00 51.12 H new ATOM 577 N LYS A 37 -11.645 15.980 13.732 1.00 71.42 N ATOM 578 CA LYS A 37 -10.543 15.757 12.804 1.00 43.12 C ATOM 579 C LYS A 37 -10.873 14.635 11.825 1.00 34.21 C ATOM 580 O LYS A 37 -10.129 14.387 10.876 1.00 15.00 O ATOM 581 CB LYS A 37 -9.263 15.418 13.572 1.00 71.12 C ATOM 582 CG LYS A 37 -9.243 14.004 14.126 1.00 70.33 C ATOM 583 CD LYS A 37 -8.417 13.915 15.398 1.00 13.02 C ATOM 584 CE LYS A 37 -7.271 12.926 15.251 1.00 34.33 C ATOM 585 NZ LYS A 37 -6.918 12.290 16.550 1.00 22.45 N ATOM 0 H LYS A 37 -11.504 15.577 14.658 1.00 71.42 H new ATOM 0 HA LYS A 37 -10.388 16.675 12.237 1.00 43.12 H new ATOM 0 HB2 LYS A 37 -8.406 15.553 12.911 1.00 71.12 H new ATOM 0 HB3 LYS A 37 -9.145 16.123 14.395 1.00 71.12 H new ATOM 0 HG2 LYS A 37 -10.263 13.678 14.330 1.00 70.33 H new ATOM 0 HG3 LYS A 37 -8.835 13.325 13.378 1.00 70.33 H new ATOM 0 HD2 LYS A 37 -8.020 14.900 15.645 1.00 13.02 H new ATOM 0 HD3 LYS A 37 -9.056 13.612 16.227 1.00 13.02 H new ATOM 0 HE2 LYS A 37 -7.547 12.155 14.532 1.00 34.33 H new ATOM 0 HE3 LYS A 37 -6.398 13.439 14.849 1.00 34.33 H new ATOM 0 HZ1 LYS A 37 -6.133 11.623 16.408 1.00 22.45 H new ATOM 0 HZ2 LYS A 37 -6.630 13.024 17.229 1.00 22.45 H new ATOM 0 HZ3 LYS A 37 -7.744 11.779 16.922 1.00 22.45 H new ATOM 599 N ARG A 38 -11.994 13.960 12.062 1.00 41.52 N ATOM 600 CA ARG A 38 -12.423 12.865 11.201 1.00 64.03 C ATOM 601 C ARG A 38 -12.431 13.295 9.737 1.00 44.33 C ATOM 602 O ARG A 38 -12.212 12.482 8.838 1.00 10.35 O ATOM 603 CB ARG A 38 -13.816 12.382 11.609 1.00 4.21 C ATOM 604 CG ARG A 38 -14.261 11.123 10.883 1.00 1.13 C ATOM 605 CD ARG A 38 -15.639 10.673 11.342 1.00 10.35 C ATOM 606 NE ARG A 38 -15.656 9.263 11.722 1.00 12.23 N ATOM 607 CZ ARG A 38 -16.577 8.727 12.515 1.00 73.20 C ATOM 608 NH1 ARG A 38 -17.551 9.479 13.009 1.00 72.14 N ATOM 609 NH2 ARG A 38 -16.526 7.435 12.815 1.00 45.31 N ATOM 0 H ARG A 38 -12.621 14.153 12.843 1.00 41.52 H new ATOM 0 HA ARG A 38 -11.713 12.046 11.317 1.00 64.03 H new ATOM 0 HB2 ARG A 38 -13.826 12.195 12.683 1.00 4.21 H new ATOM 0 HB3 ARG A 38 -14.537 13.176 11.417 1.00 4.21 H new ATOM 0 HG2 ARG A 38 -14.276 11.307 9.809 1.00 1.13 H new ATOM 0 HG3 ARG A 38 -13.539 10.326 11.059 1.00 1.13 H new ATOM 0 HD2 ARG A 38 -15.955 11.281 12.190 1.00 10.35 H new ATOM 0 HD3 ARG A 38 -16.360 10.842 10.542 1.00 10.35 H new ATOM 0 HE ARG A 38 -14.921 8.657 11.359 1.00 12.23 H new ATOM 0 HH11 ARG A 38 -17.595 10.472 12.780 1.00 72.14 H new ATOM 0 HH12 ARG A 38 -18.257 9.064 13.618 1.00 72.14 H new ATOM 0 HH21 ARG A 38 -15.779 6.853 12.436 1.00 45.31 H new ATOM 0 HH22 ARG A 38 -17.234 7.025 13.424 1.00 45.31 H new ATOM 623 N VAL A 39 -12.685 14.579 9.504 1.00 2.20 N ATOM 624 CA VAL A 39 -12.721 15.118 8.150 1.00 41.13 C ATOM 625 C VAL A 39 -11.408 14.859 7.420 1.00 62.21 C ATOM 626 O VAL A 39 -11.353 14.890 6.191 1.00 11.40 O ATOM 627 CB VAL A 39 -13.002 16.632 8.156 1.00 41.54 C ATOM 628 CG1 VAL A 39 -13.036 17.175 6.735 1.00 75.21 C ATOM 629 CG2 VAL A 39 -14.306 16.929 8.880 1.00 11.12 C ATOM 0 H VAL A 39 -12.869 15.265 10.236 1.00 2.20 H new ATOM 0 HA VAL A 39 -13.530 14.608 7.628 1.00 41.13 H new ATOM 0 HB VAL A 39 -12.194 17.131 8.691 1.00 41.54 H new ATOM 0 HG11 VAL A 39 -13.236 18.246 6.760 1.00 75.21 H new ATOM 0 HG12 VAL A 39 -12.074 16.996 6.254 1.00 75.21 H new ATOM 0 HG13 VAL A 39 -13.822 16.672 6.172 1.00 75.21 H new ATOM 0 HG21 VAL A 39 -14.489 18.004 8.875 1.00 11.12 H new ATOM 0 HG22 VAL A 39 -15.127 16.419 8.376 1.00 11.12 H new ATOM 0 HG23 VAL A 39 -14.239 16.578 9.910 1.00 11.12 H new ATOM 639 N GLU A 40 -10.352 14.602 8.186 1.00 60.12 N ATOM 640 CA GLU A 40 -9.038 14.337 7.611 1.00 53.31 C ATOM 641 C GLU A 40 -9.037 13.020 6.840 1.00 0.13 C ATOM 642 O GLU A 40 -8.268 12.843 5.895 1.00 53.03 O ATOM 643 CB GLU A 40 -7.974 14.299 8.710 1.00 74.01 C ATOM 644 CG GLU A 40 -6.589 14.696 8.230 1.00 44.14 C ATOM 645 CD GLU A 40 -5.600 14.855 9.368 1.00 23.52 C ATOM 646 OE1 GLU A 40 -5.991 15.396 10.423 1.00 23.34 O ATOM 647 OE2 GLU A 40 -4.434 14.437 9.203 1.00 33.44 O ATOM 0 H GLU A 40 -10.381 14.572 9.205 1.00 60.12 H new ATOM 0 HA GLU A 40 -8.804 15.144 6.917 1.00 53.31 H new ATOM 0 HB2 GLU A 40 -8.274 14.966 9.518 1.00 74.01 H new ATOM 0 HB3 GLU A 40 -7.930 13.293 9.127 1.00 74.01 H new ATOM 0 HG2 GLU A 40 -6.219 13.942 7.535 1.00 44.14 H new ATOM 0 HG3 GLU A 40 -6.655 15.633 7.677 1.00 44.14 H new ATOM 654 N ILE A 41 -9.902 12.100 7.252 1.00 33.21 N ATOM 655 CA ILE A 41 -10.002 10.800 6.601 1.00 65.51 C ATOM 656 C ILE A 41 -10.227 10.952 5.101 1.00 60.15 C ATOM 657 O ILE A 41 -9.909 10.054 4.321 1.00 71.44 O ATOM 658 CB ILE A 41 -11.144 9.957 7.197 1.00 33.14 C ATOM 659 CG1 ILE A 41 -12.500 10.550 6.810 1.00 75.13 C ATOM 660 CG2 ILE A 41 -11.009 9.876 8.711 1.00 64.14 C ATOM 661 CD1 ILE A 41 -13.179 9.815 5.675 1.00 41.33 C ATOM 0 H ILE A 41 -10.544 12.231 8.034 1.00 33.21 H new ATOM 0 HA ILE A 41 -9.056 10.288 6.774 1.00 65.51 H new ATOM 0 HB ILE A 41 -11.080 8.947 6.791 1.00 33.14 H new ATOM 0 HG12 ILE A 41 -13.154 10.540 7.682 1.00 75.13 H new ATOM 0 HG13 ILE A 41 -12.364 11.594 6.526 1.00 75.13 H new ATOM 0 HG21 ILE A 41 -11.824 9.277 9.117 1.00 64.14 H new ATOM 0 HG22 ILE A 41 -10.056 9.414 8.967 1.00 64.14 H new ATOM 0 HG23 ILE A 41 -11.051 10.880 9.134 1.00 64.14 H new ATOM 0 HD11 ILE A 41 -14.135 10.290 5.454 1.00 41.33 H new ATOM 0 HD12 ILE A 41 -12.544 9.847 4.789 1.00 41.33 H new ATOM 0 HD13 ILE A 41 -13.347 8.777 5.963 1.00 41.33 H new ATOM 673 N ILE A 42 -10.776 12.095 4.703 1.00 4.14 N ATOM 674 CA ILE A 42 -11.041 12.366 3.296 1.00 44.30 C ATOM 675 C ILE A 42 -9.800 12.117 2.445 1.00 71.30 C ATOM 676 O ILE A 42 -9.901 11.756 1.273 1.00 54.33 O ATOM 677 CB ILE A 42 -11.513 13.816 3.081 1.00 14.34 C ATOM 678 CG1 ILE A 42 -12.096 13.983 1.676 1.00 4.23 C ATOM 679 CG2 ILE A 42 -10.363 14.787 3.303 1.00 62.34 C ATOM 680 CD1 ILE A 42 -11.081 14.440 0.652 1.00 4.10 C ATOM 0 H ILE A 42 -11.046 12.848 5.336 1.00 4.14 H new ATOM 0 HA ILE A 42 -11.834 11.684 2.988 1.00 44.30 H new ATOM 0 HB ILE A 42 -12.295 14.039 3.807 1.00 14.34 H new ATOM 0 HG12 ILE A 42 -12.524 13.034 1.353 1.00 4.23 H new ATOM 0 HG13 ILE A 42 -12.913 14.704 1.713 1.00 4.23 H new ATOM 0 HG21 ILE A 42 -10.713 15.807 3.147 1.00 62.34 H new ATOM 0 HG22 ILE A 42 -9.990 14.683 4.322 1.00 62.34 H new ATOM 0 HG23 ILE A 42 -9.560 14.567 2.599 1.00 62.34 H new ATOM 0 HD11 ILE A 42 -11.564 14.537 -0.320 1.00 4.10 H new ATOM 0 HD12 ILE A 42 -10.671 15.404 0.952 1.00 4.10 H new ATOM 0 HD13 ILE A 42 -10.276 13.708 0.586 1.00 4.10 H new ATOM 692 N ALA A 43 -8.630 12.309 3.044 1.00 4.42 N ATOM 693 CA ALA A 43 -7.369 12.101 2.343 1.00 41.43 C ATOM 694 C ALA A 43 -7.004 10.621 2.296 1.00 54.51 C ATOM 695 O ALA A 43 -6.727 10.075 1.229 1.00 51.23 O ATOM 696 CB ALA A 43 -6.257 12.900 3.007 1.00 13.11 C ATOM 0 H ALA A 43 -8.529 12.608 4.014 1.00 4.42 H new ATOM 0 HA ALA A 43 -7.490 12.451 1.318 1.00 41.43 H new ATOM 0 HB1 ALA A 43 -5.321 12.735 2.473 1.00 13.11 H new ATOM 0 HB2 ALA A 43 -6.507 13.961 2.982 1.00 13.11 H new ATOM 0 HB3 ALA A 43 -6.145 12.577 4.042 1.00 13.11 H new ATOM 702 N GLU A 44 -7.006 9.979 3.460 1.00 53.13 N ATOM 703 CA GLU A 44 -6.674 8.562 3.550 1.00 42.20 C ATOM 704 C GLU A 44 -7.588 7.731 2.655 1.00 72.31 C ATOM 705 O GLU A 44 -7.224 6.639 2.221 1.00 44.15 O ATOM 706 CB GLU A 44 -6.784 8.081 4.998 1.00 34.22 C ATOM 707 CG GLU A 44 -6.604 6.580 5.156 1.00 4.54 C ATOM 708 CD GLU A 44 -6.603 6.143 6.608 1.00 32.22 C ATOM 709 OE1 GLU A 44 -5.519 6.146 7.228 1.00 64.33 O ATOM 710 OE2 GLU A 44 -7.686 5.797 7.125 1.00 52.43 O ATOM 0 H GLU A 44 -7.234 10.417 4.353 1.00 53.13 H new ATOM 0 HA GLU A 44 -5.647 8.433 3.209 1.00 42.20 H new ATOM 0 HB2 GLU A 44 -6.034 8.594 5.600 1.00 34.22 H new ATOM 0 HB3 GLU A 44 -7.759 8.365 5.393 1.00 34.22 H new ATOM 0 HG2 GLU A 44 -7.404 6.064 4.626 1.00 4.54 H new ATOM 0 HG3 GLU A 44 -5.666 6.279 4.689 1.00 4.54 H new ATOM 717 N ASN A 45 -8.779 8.256 2.384 1.00 2.03 N ATOM 718 CA ASN A 45 -9.747 7.563 1.542 1.00 23.52 C ATOM 719 C ASN A 45 -10.040 8.364 0.277 1.00 22.43 C ATOM 720 O ASN A 45 -11.075 9.019 0.154 1.00 62.04 O ATOM 721 CB ASN A 45 -11.044 7.317 2.316 1.00 64.01 C ATOM 722 CG ASN A 45 -11.188 5.874 2.759 1.00 20.12 C ATOM 723 OD1 ASN A 45 -10.434 5.395 3.607 1.00 74.14 O ATOM 724 ND2 ASN A 45 -12.160 5.174 2.186 1.00 21.41 N ATOM 0 H ASN A 45 -9.097 9.159 2.736 1.00 2.03 H new ATOM 0 HA ASN A 45 -9.318 6.604 1.252 1.00 23.52 H new ATOM 0 HB2 ASN A 45 -11.071 7.967 3.191 1.00 64.01 H new ATOM 0 HB3 ASN A 45 -11.894 7.589 1.691 1.00 64.01 H new ATOM 0 HD21 ASN A 45 -12.306 4.198 2.444 1.00 21.41 H new ATOM 0 HD22 ASN A 45 -12.761 5.612 1.488 1.00 21.41 H new ATOM 731 N PRO A 46 -9.108 8.311 -0.686 1.00 21.41 N ATOM 732 CA PRO A 46 -9.244 9.024 -1.959 1.00 50.32 C ATOM 733 C PRO A 46 -10.333 8.428 -2.844 1.00 53.23 C ATOM 734 O PRO A 46 -10.686 8.996 -3.877 1.00 43.42 O ATOM 735 CB PRO A 46 -7.870 8.851 -2.612 1.00 33.33 C ATOM 736 CG PRO A 46 -7.322 7.601 -2.014 1.00 1.35 C ATOM 737 CD PRO A 46 -7.850 7.549 -0.607 1.00 1.55 C ATOM 0 HA PRO A 46 -9.534 10.065 -1.814 1.00 50.32 H new ATOM 0 HB2 PRO A 46 -7.954 8.768 -3.696 1.00 33.33 H new ATOM 0 HB3 PRO A 46 -7.224 9.705 -2.407 1.00 33.33 H new ATOM 0 HG2 PRO A 46 -7.638 6.726 -2.582 1.00 1.35 H new ATOM 0 HG3 PRO A 46 -6.232 7.610 -2.022 1.00 1.35 H new ATOM 0 HD2 PRO A 46 -8.021 6.523 -0.280 1.00 1.55 H new ATOM 0 HD3 PRO A 46 -7.153 7.997 0.101 1.00 1.55 H new ATOM 745 N GLU A 47 -10.863 7.281 -2.432 1.00 24.52 N ATOM 746 CA GLU A 47 -11.912 6.608 -3.189 1.00 0.31 C ATOM 747 C GLU A 47 -13.156 7.486 -3.291 1.00 35.52 C ATOM 748 O GLU A 47 -13.665 7.734 -4.384 1.00 54.22 O ATOM 749 CB GLU A 47 -12.269 5.272 -2.534 1.00 5.45 C ATOM 750 CG GLU A 47 -13.229 4.429 -3.355 1.00 22.41 C ATOM 751 CD GLU A 47 -12.834 4.351 -4.817 1.00 4.42 C ATOM 752 OE1 GLU A 47 -11.643 4.098 -5.096 1.00 60.02 O ATOM 753 OE2 GLU A 47 -13.714 4.544 -5.681 1.00 0.40 O ATOM 0 H GLU A 47 -10.583 6.798 -1.578 1.00 24.52 H new ATOM 0 HA GLU A 47 -11.536 6.421 -4.195 1.00 0.31 H new ATOM 0 HB2 GLU A 47 -11.354 4.704 -2.364 1.00 5.45 H new ATOM 0 HB3 GLU A 47 -12.711 5.463 -1.556 1.00 5.45 H new ATOM 0 HG2 GLU A 47 -13.269 3.422 -2.939 1.00 22.41 H new ATOM 0 HG3 GLU A 47 -14.233 4.847 -3.276 1.00 22.41 H new ATOM 760 N ILE A 48 -13.641 7.950 -2.144 1.00 42.42 N ATOM 761 CA ILE A 48 -14.825 8.800 -2.104 1.00 63.20 C ATOM 762 C ILE A 48 -14.446 10.260 -1.881 1.00 53.00 C ATOM 763 O ILE A 48 -15.312 11.113 -1.688 1.00 5.50 O ATOM 764 CB ILE A 48 -15.797 8.358 -0.994 1.00 72.05 C ATOM 765 CG1 ILE A 48 -15.414 9.006 0.338 1.00 63.34 C ATOM 766 CG2 ILE A 48 -15.805 6.842 -0.870 1.00 23.34 C ATOM 767 CD1 ILE A 48 -13.985 8.733 0.753 1.00 42.43 C ATOM 0 H ILE A 48 -13.233 7.752 -1.231 1.00 42.42 H new ATOM 0 HA ILE A 48 -15.319 8.699 -3.070 1.00 63.20 H new ATOM 0 HB ILE A 48 -16.802 8.686 -1.259 1.00 72.05 H new ATOM 0 HG12 ILE A 48 -15.563 10.083 0.265 1.00 63.34 H new ATOM 0 HG13 ILE A 48 -16.086 8.643 1.116 1.00 63.34 H new ATOM 0 HG21 ILE A 48 -16.497 6.545 -0.082 1.00 23.34 H new ATOM 0 HG22 ILE A 48 -16.122 6.401 -1.815 1.00 23.34 H new ATOM 0 HG23 ILE A 48 -14.803 6.492 -0.624 1.00 23.34 H new ATOM 0 HD11 ILE A 48 -13.783 9.223 1.706 1.00 42.43 H new ATOM 0 HD12 ILE A 48 -13.836 7.658 0.858 1.00 42.43 H new ATOM 0 HD13 ILE A 48 -13.305 9.121 -0.006 1.00 42.43 H new ATOM 779 N ALA A 49 -13.147 10.540 -1.911 1.00 15.21 N ATOM 780 CA ALA A 49 -12.654 11.898 -1.716 1.00 32.10 C ATOM 781 C ALA A 49 -13.387 12.883 -2.620 1.00 43.23 C ATOM 782 O ALA A 49 -13.575 14.047 -2.265 1.00 22.12 O ATOM 783 CB ALA A 49 -11.156 11.957 -1.972 1.00 64.25 C ATOM 0 H ALA A 49 -12.417 9.845 -2.068 1.00 15.21 H new ATOM 0 HA ALA A 49 -12.846 12.183 -0.682 1.00 32.10 H new ATOM 0 HB1 ALA A 49 -10.801 12.977 -1.823 1.00 64.25 H new ATOM 0 HB2 ALA A 49 -10.642 11.289 -1.281 1.00 64.25 H new ATOM 0 HB3 ALA A 49 -10.949 11.647 -2.996 1.00 64.25 H new ATOM 789 N LYS A 50 -13.798 12.411 -3.792 1.00 31.50 N ATOM 790 CA LYS A 50 -14.511 13.249 -4.748 1.00 41.13 C ATOM 791 C LYS A 50 -15.870 12.648 -5.092 1.00 12.35 C ATOM 792 O LYS A 50 -16.367 12.809 -6.207 1.00 23.23 O ATOM 793 CB LYS A 50 -13.682 13.423 -6.023 1.00 23.22 C ATOM 794 CG LYS A 50 -12.522 14.391 -5.867 1.00 10.23 C ATOM 795 CD LYS A 50 -11.446 14.146 -6.911 1.00 71.32 C ATOM 796 CE LYS A 50 -11.860 14.680 -8.274 1.00 4.43 C ATOM 797 NZ LYS A 50 -10.745 14.609 -9.259 1.00 53.20 N ATOM 0 H LYS A 50 -13.649 11.451 -4.103 1.00 31.50 H new ATOM 0 HA LYS A 50 -14.670 14.225 -4.289 1.00 41.13 H new ATOM 0 HB2 LYS A 50 -13.295 12.451 -6.330 1.00 23.22 H new ATOM 0 HB3 LYS A 50 -14.332 13.774 -6.824 1.00 23.22 H new ATOM 0 HG2 LYS A 50 -12.887 15.414 -5.953 1.00 10.23 H new ATOM 0 HG3 LYS A 50 -12.093 14.288 -4.870 1.00 10.23 H new ATOM 0 HD2 LYS A 50 -10.518 14.625 -6.598 1.00 71.32 H new ATOM 0 HD3 LYS A 50 -11.245 13.077 -6.984 1.00 71.32 H new ATOM 0 HE2 LYS A 50 -12.710 14.108 -8.646 1.00 4.43 H new ATOM 0 HE3 LYS A 50 -12.191 15.714 -8.174 1.00 4.43 H new ATOM 0 HZ1 LYS A 50 -11.067 14.982 -10.175 1.00 53.20 H new ATOM 0 HZ2 LYS A 50 -9.943 15.176 -8.917 1.00 53.20 H new ATOM 0 HZ3 LYS A 50 -10.446 13.620 -9.374 1.00 53.20 H new ATOM 811 N ASP A 51 -16.467 11.958 -4.126 1.00 73.25 N ATOM 812 CA ASP A 51 -17.771 11.335 -4.326 1.00 1.31 C ATOM 813 C ASP A 51 -18.878 12.384 -4.335 1.00 54.33 C ATOM 814 O ASP A 51 -19.111 13.066 -3.337 1.00 21.34 O ATOM 815 CB ASP A 51 -18.039 10.302 -3.231 1.00 34.03 C ATOM 816 CG ASP A 51 -17.741 8.887 -3.684 1.00 64.43 C ATOM 817 OD1 ASP A 51 -16.997 8.725 -4.675 1.00 54.12 O ATOM 818 OD2 ASP A 51 -18.249 7.940 -3.048 1.00 51.30 O ATOM 0 H ASP A 51 -16.069 11.816 -3.198 1.00 73.25 H new ATOM 0 HA ASP A 51 -17.763 10.833 -5.294 1.00 1.31 H new ATOM 0 HB2 ASP A 51 -17.430 10.536 -2.358 1.00 34.03 H new ATOM 0 HB3 ASP A 51 -19.082 10.369 -2.920 1.00 34.03 H new ATOM 823 N VAL A 52 -19.558 12.510 -5.471 1.00 35.45 N ATOM 824 CA VAL A 52 -20.642 13.476 -5.610 1.00 64.43 C ATOM 825 C VAL A 52 -21.928 12.953 -4.982 1.00 35.02 C ATOM 826 O VAL A 52 -22.761 13.728 -4.512 1.00 72.04 O ATOM 827 CB VAL A 52 -20.906 13.812 -7.090 1.00 2.41 C ATOM 828 CG1 VAL A 52 -21.364 12.575 -7.846 1.00 33.32 C ATOM 829 CG2 VAL A 52 -21.932 14.929 -7.207 1.00 11.15 C ATOM 0 H VAL A 52 -19.377 11.955 -6.308 1.00 35.45 H new ATOM 0 HA VAL A 52 -20.329 14.381 -5.089 1.00 64.43 H new ATOM 0 HB VAL A 52 -19.974 14.157 -7.538 1.00 2.41 H new ATOM 0 HG11 VAL A 52 -21.545 12.833 -8.889 1.00 33.32 H new ATOM 0 HG12 VAL A 52 -20.592 11.808 -7.791 1.00 33.32 H new ATOM 0 HG13 VAL A 52 -22.284 12.196 -7.401 1.00 33.32 H new ATOM 0 HG21 VAL A 52 -22.107 15.154 -8.259 1.00 11.15 H new ATOM 0 HG22 VAL A 52 -22.867 14.614 -6.743 1.00 11.15 H new ATOM 0 HG23 VAL A 52 -21.559 15.820 -6.703 1.00 11.15 H new ATOM 839 N ALA A 53 -22.084 11.633 -4.976 1.00 11.22 N ATOM 840 CA ALA A 53 -23.269 11.006 -4.403 1.00 5.25 C ATOM 841 C ALA A 53 -23.362 11.276 -2.904 1.00 64.55 C ATOM 842 O ALA A 53 -24.433 11.166 -2.310 1.00 75.20 O ATOM 843 CB ALA A 53 -23.256 9.509 -4.672 1.00 23.33 C ATOM 0 H ALA A 53 -21.405 10.977 -5.362 1.00 11.22 H new ATOM 0 HA ALA A 53 -24.147 11.442 -4.879 1.00 5.25 H new ATOM 0 HB1 ALA A 53 -24.146 9.054 -4.239 1.00 23.33 H new ATOM 0 HB2 ALA A 53 -23.245 9.333 -5.748 1.00 23.33 H new ATOM 0 HB3 ALA A 53 -22.367 9.066 -4.223 1.00 23.33 H new ATOM 849 N ALA A 54 -22.232 11.628 -2.300 1.00 63.20 N ATOM 850 CA ALA A 54 -22.187 11.914 -0.871 1.00 64.05 C ATOM 851 C ALA A 54 -23.075 13.103 -0.521 1.00 74.44 C ATOM 852 O ALA A 54 -23.518 13.244 0.619 1.00 20.10 O ATOM 853 CB ALA A 54 -20.754 12.176 -0.431 1.00 31.45 C ATOM 0 H ALA A 54 -21.336 11.722 -2.778 1.00 63.20 H new ATOM 0 HA ALA A 54 -22.566 11.042 -0.339 1.00 64.05 H new ATOM 0 HB1 ALA A 54 -20.735 12.388 0.638 1.00 31.45 H new ATOM 0 HB2 ALA A 54 -20.143 11.297 -0.638 1.00 31.45 H new ATOM 0 HB3 ALA A 54 -20.356 13.031 -0.978 1.00 31.45 H new ATOM 859 N ILE A 55 -23.332 13.955 -1.508 1.00 61.53 N ATOM 860 CA ILE A 55 -24.168 15.131 -1.303 1.00 72.45 C ATOM 861 C ILE A 55 -25.647 14.783 -1.436 1.00 11.31 C ATOM 862 O ILE A 55 -26.493 15.350 -0.746 1.00 0.43 O ATOM 863 CB ILE A 55 -23.823 16.248 -2.305 1.00 52.25 C ATOM 864 CG1 ILE A 55 -22.349 16.638 -2.180 1.00 61.14 C ATOM 865 CG2 ILE A 55 -24.718 17.458 -2.078 1.00 65.24 C ATOM 866 CD1 ILE A 55 -21.462 15.987 -3.218 1.00 43.14 C ATOM 0 H ILE A 55 -22.973 13.853 -2.457 1.00 61.53 H new ATOM 0 HA ILE A 55 -23.970 15.487 -0.292 1.00 72.45 H new ATOM 0 HB ILE A 55 -23.996 15.876 -3.315 1.00 52.25 H new ATOM 0 HG12 ILE A 55 -22.260 17.721 -2.265 1.00 61.14 H new ATOM 0 HG13 ILE A 55 -21.992 16.366 -1.187 1.00 61.14 H new ATOM 0 HG21 ILE A 55 -24.462 18.239 -2.794 1.00 65.24 H new ATOM 0 HG22 ILE A 55 -25.761 17.170 -2.213 1.00 65.24 H new ATOM 0 HG23 ILE A 55 -24.573 17.833 -1.065 1.00 65.24 H new ATOM 0 HD11 ILE A 55 -20.431 16.309 -3.069 1.00 43.14 H new ATOM 0 HD12 ILE A 55 -21.522 14.903 -3.119 1.00 43.14 H new ATOM 0 HD13 ILE A 55 -21.793 16.279 -4.214 1.00 43.14 H new ATOM 878 N GLY A 56 -25.952 13.845 -2.328 1.00 2.14 N ATOM 879 CA GLY A 56 -27.329 13.437 -2.533 1.00 60.53 C ATOM 880 C GLY A 56 -27.776 12.384 -1.538 1.00 54.23 C ATOM 881 O GLY A 56 -28.962 12.282 -1.221 1.00 43.42 O ATOM 0 H GLY A 56 -25.270 13.361 -2.912 1.00 2.14 H new ATOM 0 HA2 GLY A 56 -27.979 14.308 -2.452 1.00 60.53 H new ATOM 0 HA3 GLY A 56 -27.443 13.048 -3.545 1.00 60.53 H new ATOM 885 N LYS A 57 -26.826 11.597 -1.045 1.00 14.24 N ATOM 886 CA LYS A 57 -27.128 10.546 -0.080 1.00 4.32 C ATOM 887 C LYS A 57 -27.188 11.109 1.337 1.00 54.24 C ATOM 888 O LYS A 57 -27.773 10.500 2.232 1.00 71.12 O ATOM 889 CB LYS A 57 -26.074 9.439 -0.155 1.00 41.12 C ATOM 890 CG LYS A 57 -24.768 9.795 0.534 1.00 63.42 C ATOM 891 CD LYS A 57 -23.680 8.779 0.225 1.00 13.15 C ATOM 892 CE LYS A 57 -23.918 7.468 0.959 1.00 22.00 C ATOM 893 NZ LYS A 57 -23.205 6.333 0.311 1.00 63.31 N ATOM 0 H LYS A 57 -25.840 11.667 -1.298 1.00 14.24 H new ATOM 0 HA LYS A 57 -28.104 10.129 -0.328 1.00 4.32 H new ATOM 0 HB2 LYS A 57 -26.478 8.533 0.297 1.00 41.12 H new ATOM 0 HB3 LYS A 57 -25.873 9.211 -1.202 1.00 41.12 H new ATOM 0 HG2 LYS A 57 -24.444 10.785 0.213 1.00 63.42 H new ATOM 0 HG3 LYS A 57 -24.926 9.845 1.611 1.00 63.42 H new ATOM 0 HD2 LYS A 57 -23.646 8.595 -0.849 1.00 13.15 H new ATOM 0 HD3 LYS A 57 -22.709 9.186 0.509 1.00 13.15 H new ATOM 0 HE2 LYS A 57 -23.584 7.564 1.992 1.00 22.00 H new ATOM 0 HE3 LYS A 57 -24.987 7.257 0.988 1.00 22.00 H new ATOM 0 HZ1 LYS A 57 -23.392 5.458 0.841 1.00 63.31 H new ATOM 0 HZ2 LYS A 57 -23.542 6.225 -0.667 1.00 63.31 H new ATOM 0 HZ3 LYS A 57 -22.182 6.523 0.306 1.00 63.31 H new ATOM 907 N MET A 58 -26.582 12.276 1.531 1.00 31.45 N ATOM 908 CA MET A 58 -26.570 12.921 2.839 1.00 14.30 C ATOM 909 C MET A 58 -27.967 12.934 3.452 1.00 53.04 C ATOM 910 O MET A 58 -28.120 12.868 4.672 1.00 75.44 O ATOM 911 CB MET A 58 -26.040 14.351 2.721 1.00 44.33 C ATOM 912 CG MET A 58 -27.107 15.366 2.344 1.00 45.24 C ATOM 913 SD MET A 58 -26.526 17.068 2.481 1.00 70.30 S ATOM 914 CE MET A 58 -25.009 16.985 1.533 1.00 44.41 C ATOM 0 H MET A 58 -26.094 12.794 0.800 1.00 31.45 H new ATOM 0 HA MET A 58 -25.911 12.349 3.492 1.00 14.30 H new ATOM 0 HB2 MET A 58 -25.592 14.643 3.671 1.00 44.33 H new ATOM 0 HB3 MET A 58 -25.247 14.375 1.974 1.00 44.33 H new ATOM 0 HG2 MET A 58 -27.435 15.179 1.321 1.00 45.24 H new ATOM 0 HG3 MET A 58 -27.976 15.230 2.988 1.00 45.24 H new ATOM 0 HE1 MET A 58 -24.605 17.989 1.404 1.00 44.41 H new ATOM 0 HE2 MET A 58 -24.283 16.367 2.061 1.00 44.41 H new ATOM 0 HE3 MET A 58 -25.214 16.548 0.556 1.00 44.41 H new ATOM 924 N ILE A 59 -28.982 13.020 2.598 1.00 20.01 N ATOM 925 CA ILE A 59 -30.365 13.041 3.056 1.00 35.55 C ATOM 926 C ILE A 59 -30.672 11.832 3.935 1.00 44.13 C ATOM 927 O ILE A 59 -30.999 11.974 5.112 1.00 10.21 O ATOM 928 CB ILE A 59 -31.350 13.063 1.873 1.00 54.43 C ATOM 929 CG1 ILE A 59 -31.084 14.279 0.983 1.00 50.23 C ATOM 930 CG2 ILE A 59 -32.785 13.074 2.378 1.00 55.31 C ATOM 931 CD1 ILE A 59 -31.179 15.598 1.717 1.00 10.12 C ATOM 0 H ILE A 59 -28.872 13.076 1.586 1.00 20.01 H new ATOM 0 HA ILE A 59 -30.490 13.953 3.639 1.00 35.55 H new ATOM 0 HB ILE A 59 -31.202 12.161 1.279 1.00 54.43 H new ATOM 0 HG12 ILE A 59 -30.090 14.187 0.544 1.00 50.23 H new ATOM 0 HG13 ILE A 59 -31.798 14.279 0.159 1.00 50.23 H new ATOM 0 HG21 ILE A 59 -33.469 13.090 1.530 1.00 55.31 H new ATOM 0 HG22 ILE A 59 -32.967 12.180 2.975 1.00 55.31 H new ATOM 0 HG23 ILE A 59 -32.948 13.960 2.992 1.00 55.31 H new ATOM 0 HD11 ILE A 59 -30.979 16.415 1.024 1.00 10.12 H new ATOM 0 HD12 ILE A 59 -32.180 15.712 2.133 1.00 10.12 H new ATOM 0 HD13 ILE A 59 -30.447 15.619 2.524 1.00 10.12 H new ATOM 943 N GLY A 60 -30.561 10.641 3.353 1.00 1.44 N ATOM 944 CA GLY A 60 -30.828 9.425 4.098 1.00 25.31 C ATOM 945 C GLY A 60 -29.774 9.147 5.152 1.00 41.30 C ATOM 946 O GLY A 60 -30.021 8.412 6.108 1.00 42.34 O ATOM 0 H GLY A 60 -30.291 10.497 2.380 1.00 1.44 H new ATOM 0 HA2 GLY A 60 -31.804 9.503 4.577 1.00 25.31 H new ATOM 0 HA3 GLY A 60 -30.878 8.583 3.407 1.00 25.31 H new ATOM 950 N ALA A 61 -28.595 9.736 4.977 1.00 31.51 N ATOM 951 CA ALA A 61 -27.500 9.548 5.921 1.00 13.00 C ATOM 952 C ALA A 61 -27.675 10.437 7.148 1.00 44.24 C ATOM 953 O ALA A 61 -27.055 10.207 8.186 1.00 75.22 O ATOM 954 CB ALA A 61 -26.167 9.832 5.246 1.00 42.42 C ATOM 0 H ALA A 61 -28.374 10.347 4.191 1.00 31.51 H new ATOM 0 HA ALA A 61 -27.512 8.510 6.252 1.00 13.00 H new ATOM 0 HB1 ALA A 61 -25.358 9.688 5.962 1.00 42.42 H new ATOM 0 HB2 ALA A 61 -26.033 9.151 4.405 1.00 42.42 H new ATOM 0 HB3 ALA A 61 -26.153 10.861 4.886 1.00 42.42 H new ATOM 960 N ALA A 62 -28.521 11.454 7.020 1.00 2.01 N ATOM 961 CA ALA A 62 -28.777 12.377 8.119 1.00 71.21 C ATOM 962 C ALA A 62 -29.140 11.624 9.394 1.00 15.24 C ATOM 963 O ALA A 62 -28.537 11.839 10.446 1.00 73.22 O ATOM 964 CB ALA A 62 -29.885 13.349 7.744 1.00 55.33 C ATOM 0 H ALA A 62 -29.040 11.659 6.167 1.00 2.01 H new ATOM 0 HA ALA A 62 -27.863 12.941 8.309 1.00 71.21 H new ATOM 0 HB1 ALA A 62 -30.066 14.032 8.574 1.00 55.33 H new ATOM 0 HB2 ALA A 62 -29.587 13.918 6.863 1.00 55.33 H new ATOM 0 HB3 ALA A 62 -30.797 12.794 7.526 1.00 55.33 H new ATOM 970 N TRP A 63 -30.129 10.743 9.294 1.00 12.44 N ATOM 971 CA TRP A 63 -30.573 9.959 10.441 1.00 11.45 C ATOM 972 C TRP A 63 -29.682 8.739 10.644 1.00 10.15 C ATOM 973 O TRP A 63 -29.638 8.166 11.732 1.00 70.51 O ATOM 974 CB TRP A 63 -32.026 9.520 10.253 1.00 30.13 C ATOM 975 CG TRP A 63 -32.239 8.681 9.029 1.00 12.35 C ATOM 976 CD1 TRP A 63 -31.764 7.420 8.807 1.00 41.51 C ATOM 977 CD2 TRP A 63 -32.981 9.045 7.860 1.00 43.00 C ATOM 978 NE1 TRP A 63 -32.165 6.978 7.569 1.00 13.53 N ATOM 979 CE2 TRP A 63 -32.914 7.956 6.969 1.00 43.11 C ATOM 980 CE3 TRP A 63 -33.696 10.183 7.480 1.00 54.44 C ATOM 981 CZ2 TRP A 63 -33.534 7.975 5.723 1.00 53.23 C ATOM 982 CZ3 TRP A 63 -34.311 10.201 6.242 1.00 34.13 C ATOM 983 CH2 TRP A 63 -34.228 9.103 5.376 1.00 31.41 C ATOM 0 H TRP A 63 -30.639 10.554 8.431 1.00 12.44 H new ATOM 0 HA TRP A 63 -30.503 10.588 11.329 1.00 11.45 H new ATOM 0 HB2 TRP A 63 -32.345 8.957 11.131 1.00 30.13 H new ATOM 0 HB3 TRP A 63 -32.661 10.404 10.194 1.00 30.13 H new ATOM 0 HD1 TRP A 63 -31.162 6.854 9.502 1.00 41.51 H new ATOM 0 HE1 TRP A 63 -31.941 6.069 7.163 1.00 13.53 H new ATOM 0 HE3 TRP A 63 -33.767 11.034 8.141 1.00 54.44 H new ATOM 0 HZ2 TRP A 63 -33.470 7.130 5.054 1.00 53.23 H new ATOM 0 HZ3 TRP A 63 -34.865 11.077 5.937 1.00 34.13 H new ATOM 0 HH2 TRP A 63 -34.721 9.147 4.416 1.00 31.41 H new ATOM 994 N ASN A 64 -28.973 8.347 9.591 1.00 51.44 N ATOM 995 CA ASN A 64 -28.083 7.194 9.654 1.00 22.03 C ATOM 996 C ASN A 64 -26.671 7.618 10.048 1.00 31.51 C ATOM 997 O ASN A 64 -25.725 6.839 9.937 1.00 23.21 O ATOM 998 CB ASN A 64 -28.053 6.471 8.306 1.00 51.51 C ATOM 999 CG ASN A 64 -29.084 5.362 8.222 1.00 44.14 C ATOM 1000 OD1 ASN A 64 -29.573 4.875 9.241 1.00 1.41 O ATOM 1001 ND2 ASN A 64 -29.418 4.957 7.002 1.00 22.30 N ATOM 0 H ASN A 64 -28.998 8.811 8.683 1.00 51.44 H new ATOM 0 HA ASN A 64 -28.465 6.513 10.415 1.00 22.03 H new ATOM 0 HB2 ASN A 64 -28.231 7.190 7.507 1.00 51.51 H new ATOM 0 HB3 ASN A 64 -27.060 6.053 8.143 1.00 51.51 H new ATOM 0 HD21 ASN A 64 -30.106 4.213 6.882 1.00 22.30 H new ATOM 0 HD22 ASN A 64 -28.987 5.390 6.185 1.00 22.30 H new ATOM 1008 N ALA A 65 -26.538 8.857 10.509 1.00 20.11 N ATOM 1009 CA ALA A 65 -25.243 9.383 10.922 1.00 10.41 C ATOM 1010 C ALA A 65 -24.802 8.777 12.250 1.00 62.43 C ATOM 1011 O ALA A 65 -23.617 8.513 12.460 1.00 32.42 O ATOM 1012 CB ALA A 65 -25.299 10.900 11.025 1.00 3.44 C ATOM 0 H ALA A 65 -27.311 9.515 10.606 1.00 20.11 H new ATOM 0 HA ALA A 65 -24.508 9.107 10.165 1.00 10.41 H new ATOM 0 HB1 ALA A 65 -24.325 11.280 11.334 1.00 3.44 H new ATOM 0 HB2 ALA A 65 -25.561 11.321 10.054 1.00 3.44 H new ATOM 0 HB3 ALA A 65 -26.051 11.187 11.760 1.00 3.44 H new ATOM 1018 N LEU A 66 -25.761 8.558 13.143 1.00 43.43 N ATOM 1019 CA LEU A 66 -25.471 7.983 14.452 1.00 63.15 C ATOM 1020 C LEU A 66 -25.707 6.476 14.448 1.00 21.01 C ATOM 1021 O LEU A 66 -26.121 5.905 13.440 1.00 72.25 O ATOM 1022 CB LEU A 66 -26.338 8.644 15.525 1.00 45.04 C ATOM 1023 CG LEU A 66 -25.736 9.870 16.212 1.00 25.24 C ATOM 1024 CD1 LEU A 66 -24.472 9.491 16.968 1.00 24.34 C ATOM 1025 CD2 LEU A 66 -25.443 10.963 15.195 1.00 61.44 C ATOM 0 H LEU A 66 -26.746 8.770 12.985 1.00 43.43 H new ATOM 0 HA LEU A 66 -24.421 8.168 14.678 1.00 63.15 H new ATOM 0 HB2 LEU A 66 -27.285 8.935 15.070 1.00 45.04 H new ATOM 0 HB3 LEU A 66 -26.567 7.900 16.288 1.00 45.04 H new ATOM 0 HG LEU A 66 -26.463 10.254 16.928 1.00 25.24 H new ATOM 0 HD11 LEU A 66 -24.057 10.376 17.451 1.00 24.34 H new ATOM 0 HD12 LEU A 66 -24.711 8.744 17.725 1.00 24.34 H new ATOM 0 HD13 LEU A 66 -23.740 9.081 16.271 1.00 24.34 H new ATOM 0 HD21 LEU A 66 -25.015 11.827 15.703 1.00 61.44 H new ATOM 0 HD22 LEU A 66 -24.736 10.590 14.454 1.00 61.44 H new ATOM 0 HD23 LEU A 66 -26.368 11.255 14.698 1.00 61.44 H new ATOM 1037 N SER A 67 -25.442 5.838 15.584 1.00 53.21 N ATOM 1038 CA SER A 67 -25.624 4.397 15.712 1.00 55.04 C ATOM 1039 C SER A 67 -27.088 4.015 15.511 1.00 22.43 C ATOM 1040 O SER A 67 -27.993 4.763 15.881 1.00 43.11 O ATOM 1041 CB SER A 67 -25.144 3.921 17.084 1.00 73.42 C ATOM 1042 OG SER A 67 -24.929 5.016 17.957 1.00 21.52 O ATOM 0 H SER A 67 -25.101 6.297 16.429 1.00 53.21 H new ATOM 0 HA SER A 67 -25.030 3.910 14.939 1.00 55.04 H new ATOM 0 HB2 SER A 67 -25.882 3.246 17.517 1.00 73.42 H new ATOM 0 HB3 SER A 67 -24.220 3.354 16.973 1.00 73.42 H new ATOM 0 HG SER A 67 -24.937 4.701 18.885 1.00 21.52 H new ATOM 1048 N ASP A 68 -27.312 2.844 14.924 1.00 44.43 N ATOM 1049 CA ASP A 68 -28.664 2.360 14.674 1.00 14.33 C ATOM 1050 C ASP A 68 -29.358 1.988 15.981 1.00 22.11 C ATOM 1051 O ASP A 68 -30.484 2.412 16.239 1.00 22.53 O ATOM 1052 CB ASP A 68 -28.632 1.152 13.737 1.00 20.03 C ATOM 1053 CG ASP A 68 -28.209 1.522 12.329 1.00 2.34 C ATOM 1054 OD1 ASP A 68 -28.008 2.727 12.067 1.00 33.12 O ATOM 1055 OD2 ASP A 68 -28.077 0.607 11.490 1.00 53.41 O ATOM 0 H ASP A 68 -26.574 2.213 14.613 1.00 44.43 H new ATOM 0 HA ASP A 68 -29.228 3.162 14.199 1.00 14.33 H new ATOM 0 HB2 ASP A 68 -27.945 0.405 14.135 1.00 20.03 H new ATOM 0 HB3 ASP A 68 -29.620 0.693 13.707 1.00 20.03 H new ATOM 1060 N GLU A 69 -28.677 1.192 16.800 1.00 14.34 N ATOM 1061 CA GLU A 69 -29.230 0.762 18.079 1.00 22.43 C ATOM 1062 C GLU A 69 -29.589 1.963 18.949 1.00 21.01 C ATOM 1063 O GLU A 69 -30.508 1.899 19.765 1.00 70.54 O ATOM 1064 CB GLU A 69 -28.232 -0.135 18.815 1.00 3.34 C ATOM 1065 CG GLU A 69 -26.845 0.473 18.939 1.00 25.24 C ATOM 1066 CD GLU A 69 -25.972 -0.264 19.936 1.00 22.45 C ATOM 1067 OE1 GLU A 69 -26.486 -1.184 20.608 1.00 43.33 O ATOM 1068 OE2 GLU A 69 -24.776 0.078 20.046 1.00 61.32 O ATOM 0 H GLU A 69 -27.743 0.833 16.601 1.00 14.34 H new ATOM 0 HA GLU A 69 -30.140 0.195 17.880 1.00 22.43 H new ATOM 0 HB2 GLU A 69 -28.616 -0.350 19.812 1.00 3.34 H new ATOM 0 HB3 GLU A 69 -28.157 -1.087 18.290 1.00 3.34 H new ATOM 0 HG2 GLU A 69 -26.361 0.466 17.963 1.00 25.24 H new ATOM 0 HG3 GLU A 69 -26.935 1.516 19.242 1.00 25.24 H new ATOM 1075 N GLU A 70 -28.856 3.057 18.768 1.00 1.23 N ATOM 1076 CA GLU A 70 -29.096 4.272 19.538 1.00 52.55 C ATOM 1077 C GLU A 70 -30.009 5.228 18.774 1.00 3.10 C ATOM 1078 O GLU A 70 -30.374 6.291 19.277 1.00 42.14 O ATOM 1079 CB GLU A 70 -27.772 4.966 19.864 1.00 11.13 C ATOM 1080 CG GLU A 70 -27.160 4.519 21.181 1.00 3.42 C ATOM 1081 CD GLU A 70 -26.371 3.231 21.051 1.00 72.25 C ATOM 1082 OE1 GLU A 70 -25.248 3.276 20.507 1.00 44.11 O ATOM 1083 OE2 GLU A 70 -26.877 2.178 21.491 1.00 20.32 O ATOM 0 H GLU A 70 -28.092 3.127 18.096 1.00 1.23 H new ATOM 0 HA GLU A 70 -29.589 3.991 20.469 1.00 52.55 H new ATOM 0 HB2 GLU A 70 -27.063 4.773 19.059 1.00 11.13 H new ATOM 0 HB3 GLU A 70 -27.934 6.043 19.895 1.00 11.13 H new ATOM 0 HG2 GLU A 70 -26.506 5.305 21.558 1.00 3.42 H new ATOM 0 HG3 GLU A 70 -27.952 4.383 21.917 1.00 3.42 H new ATOM 1090 N LYS A 71 -30.373 4.842 17.556 1.00 52.10 N ATOM 1091 CA LYS A 71 -31.243 5.662 16.721 1.00 12.24 C ATOM 1092 C LYS A 71 -32.710 5.330 16.973 1.00 34.45 C ATOM 1093 O LYS A 71 -33.605 6.068 16.562 1.00 40.44 O ATOM 1094 CB LYS A 71 -30.909 5.455 15.242 1.00 31.34 C ATOM 1095 CG LYS A 71 -31.813 6.230 14.300 1.00 40.50 C ATOM 1096 CD LYS A 71 -31.361 6.094 12.856 1.00 73.14 C ATOM 1097 CE LYS A 71 -31.731 4.734 12.282 1.00 5.34 C ATOM 1098 NZ LYS A 71 -32.145 4.828 10.855 1.00 11.12 N ATOM 0 H LYS A 71 -30.079 3.966 17.125 1.00 52.10 H new ATOM 0 HA LYS A 71 -31.075 6.707 16.982 1.00 12.24 H new ATOM 0 HB2 LYS A 71 -29.875 5.752 15.067 1.00 31.34 H new ATOM 0 HB3 LYS A 71 -30.979 4.393 15.008 1.00 31.34 H new ATOM 0 HG2 LYS A 71 -32.837 5.869 14.397 1.00 40.50 H new ATOM 0 HG3 LYS A 71 -31.818 7.283 14.583 1.00 40.50 H new ATOM 0 HD2 LYS A 71 -31.818 6.880 12.255 1.00 73.14 H new ATOM 0 HD3 LYS A 71 -30.282 6.234 12.797 1.00 73.14 H new ATOM 0 HE2 LYS A 71 -30.879 4.059 12.369 1.00 5.34 H new ATOM 0 HE3 LYS A 71 -32.542 4.301 12.868 1.00 5.34 H new ATOM 0 HZ1 LYS A 71 -32.727 4.002 10.607 1.00 11.12 H new ATOM 0 HZ2 LYS A 71 -32.698 5.697 10.710 1.00 11.12 H new ATOM 0 HZ3 LYS A 71 -31.300 4.851 10.249 1.00 11.12 H new ATOM 1112 N LYS A 72 -32.951 4.214 17.654 1.00 61.12 N ATOM 1113 CA LYS A 72 -34.309 3.784 17.964 1.00 53.11 C ATOM 1114 C LYS A 72 -34.985 4.764 18.918 1.00 75.22 C ATOM 1115 O LYS A 72 -36.091 5.245 18.670 1.00 34.05 O ATOM 1116 CB LYS A 72 -34.295 2.383 18.580 1.00 2.42 C ATOM 1117 CG LYS A 72 -33.254 1.461 17.970 1.00 4.21 C ATOM 1118 CD LYS A 72 -33.338 1.451 16.453 1.00 34.20 C ATOM 1119 CE LYS A 72 -32.690 0.206 15.867 1.00 31.21 C ATOM 1120 NZ LYS A 72 -32.784 0.179 14.381 1.00 21.42 N ATOM 0 H LYS A 72 -32.222 3.591 18.002 1.00 61.12 H new ATOM 0 HA LYS A 72 -34.877 3.759 17.034 1.00 53.11 H new ATOM 0 HB2 LYS A 72 -34.110 2.468 19.651 1.00 2.42 H new ATOM 0 HB3 LYS A 72 -35.281 1.933 18.461 1.00 2.42 H new ATOM 0 HG2 LYS A 72 -32.258 1.781 18.278 1.00 4.21 H new ATOM 0 HG3 LYS A 72 -33.396 0.449 18.350 1.00 4.21 H new ATOM 0 HD2 LYS A 72 -34.383 1.498 16.145 1.00 34.20 H new ATOM 0 HD3 LYS A 72 -32.848 2.339 16.055 1.00 34.20 H new ATOM 0 HE2 LYS A 72 -31.642 0.167 16.165 1.00 31.21 H new ATOM 0 HE3 LYS A 72 -33.171 -0.682 16.278 1.00 31.21 H new ATOM 0 HZ1 LYS A 72 -32.331 -0.685 14.020 1.00 21.42 H new ATOM 0 HZ2 LYS A 72 -33.784 0.190 14.096 1.00 21.42 H new ATOM 0 HZ3 LYS A 72 -32.303 1.013 13.987 1.00 21.42 H new ATOM 1134 N PRO A 73 -34.307 5.068 20.034 1.00 42.42 N ATOM 1135 CA PRO A 73 -34.822 5.995 21.046 1.00 55.01 C ATOM 1136 C PRO A 73 -34.849 7.437 20.551 1.00 15.24 C ATOM 1137 O PRO A 73 -35.471 8.303 21.167 1.00 13.32 O ATOM 1138 CB PRO A 73 -33.831 5.845 22.202 1.00 31.24 C ATOM 1139 CG PRO A 73 -32.568 5.384 21.561 1.00 21.31 C ATOM 1140 CD PRO A 73 -32.983 4.532 20.393 1.00 13.14 C ATOM 0 HA PRO A 73 -35.853 5.769 21.319 1.00 55.01 H new ATOM 0 HB2 PRO A 73 -33.687 6.790 22.725 1.00 31.24 H new ATOM 0 HB3 PRO A 73 -34.187 5.124 22.938 1.00 31.24 H new ATOM 0 HG2 PRO A 73 -31.966 6.231 21.232 1.00 21.31 H new ATOM 0 HG3 PRO A 73 -31.960 4.814 22.263 1.00 21.31 H new ATOM 0 HD2 PRO A 73 -32.278 4.614 19.565 1.00 13.14 H new ATOM 0 HD3 PRO A 73 -33.036 3.477 20.663 1.00 13.14 H new ATOM 1148 N TYR A 74 -34.172 7.688 19.437 1.00 52.14 N ATOM 1149 CA TYR A 74 -34.117 9.026 18.861 1.00 51.45 C ATOM 1150 C TYR A 74 -33.414 9.997 19.804 1.00 0.32 C ATOM 1151 O TYR A 74 -33.516 11.214 19.649 1.00 32.41 O ATOM 1152 CB TYR A 74 -35.528 9.530 18.552 1.00 71.25 C ATOM 1153 CG TYR A 74 -36.403 8.500 17.873 1.00 52.42 C ATOM 1154 CD1 TYR A 74 -35.991 7.870 16.705 1.00 1.23 C ATOM 1155 CD2 TYR A 74 -37.642 8.157 18.400 1.00 52.31 C ATOM 1156 CE1 TYR A 74 -36.788 6.930 16.082 1.00 64.25 C ATOM 1157 CE2 TYR A 74 -38.445 7.217 17.784 1.00 60.23 C ATOM 1158 CZ TYR A 74 -38.014 6.606 16.625 1.00 45.34 C ATOM 1159 OH TYR A 74 -38.809 5.669 16.007 1.00 35.11 O ATOM 0 H TYR A 74 -33.653 6.982 18.914 1.00 52.14 H new ATOM 0 HA TYR A 74 -33.547 8.971 17.934 1.00 51.45 H new ATOM 0 HB2 TYR A 74 -36.004 9.844 19.481 1.00 71.25 H new ATOM 0 HB3 TYR A 74 -35.459 10.412 17.915 1.00 71.25 H new ATOM 0 HD1 TYR A 74 -35.031 8.120 16.277 1.00 1.23 H new ATOM 0 HD2 TYR A 74 -37.983 8.634 19.307 1.00 52.31 H new ATOM 0 HE1 TYR A 74 -36.453 6.451 15.174 1.00 64.25 H new ATOM 0 HE2 TYR A 74 -39.405 6.962 18.208 1.00 60.23 H new ATOM 0 HH TYR A 74 -39.638 5.556 16.517 1.00 35.11 H new ATOM 1169 N GLU A 75 -32.700 9.449 20.782 1.00 24.02 N ATOM 1170 CA GLU A 75 -31.979 10.266 21.752 1.00 53.14 C ATOM 1171 C GLU A 75 -30.644 10.737 21.181 1.00 35.12 C ATOM 1172 O GLU A 75 -30.386 11.937 21.088 1.00 60.02 O ATOM 1173 CB GLU A 75 -31.745 9.478 23.042 1.00 14.43 C ATOM 1174 CG GLU A 75 -30.961 10.248 24.091 1.00 1.15 C ATOM 1175 CD GLU A 75 -31.739 11.420 24.659 1.00 61.44 C ATOM 1176 OE1 GLU A 75 -32.983 11.413 24.550 1.00 32.22 O ATOM 1177 OE2 GLU A 75 -31.104 12.343 25.210 1.00 34.32 O ATOM 0 H GLU A 75 -32.605 8.443 20.924 1.00 24.02 H new ATOM 0 HA GLU A 75 -32.588 11.142 21.975 1.00 53.14 H new ATOM 0 HB2 GLU A 75 -32.709 9.188 23.461 1.00 14.43 H new ATOM 0 HB3 GLU A 75 -31.211 8.558 22.804 1.00 14.43 H new ATOM 0 HG2 GLU A 75 -30.686 9.573 24.901 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -30.033 10.612 23.650 1.00 1.15 H new ATOM 1184 N ARG A 76 -29.800 9.783 20.802 1.00 54.01 N ATOM 1185 CA ARG A 76 -28.492 10.099 20.243 1.00 43.15 C ATOM 1186 C ARG A 76 -28.632 10.878 18.938 1.00 62.54 C ATOM 1187 O ARG A 76 -28.075 11.965 18.790 1.00 55.23 O ATOM 1188 CB ARG A 76 -27.694 8.817 20.001 1.00 64.44 C ATOM 1189 CG ARG A 76 -26.188 9.028 19.992 1.00 15.35 C ATOM 1190 CD ARG A 76 -25.634 9.142 21.404 1.00 32.40 C ATOM 1191 NE ARG A 76 -25.263 7.840 21.952 1.00 3.03 N ATOM 1192 CZ ARG A 76 -24.574 7.686 23.078 1.00 42.14 C ATOM 1193 NH1 ARG A 76 -24.184 8.747 23.771 1.00 41.25 N ATOM 1194 NH2 ARG A 76 -24.274 6.469 23.512 1.00 30.22 N ATOM 0 H ARG A 76 -29.999 8.785 20.872 1.00 54.01 H new ATOM 0 HA ARG A 76 -27.958 10.721 20.962 1.00 43.15 H new ATOM 0 HB2 ARG A 76 -27.946 8.091 20.774 1.00 64.44 H new ATOM 0 HB3 ARG A 76 -27.997 8.385 19.047 1.00 64.44 H new ATOM 0 HG2 ARG A 76 -25.706 8.197 19.477 1.00 15.35 H new ATOM 0 HG3 ARG A 76 -25.949 9.932 19.432 1.00 15.35 H new ATOM 0 HD2 ARG A 76 -24.762 9.796 21.400 1.00 32.40 H new ATOM 0 HD3 ARG A 76 -26.379 9.608 22.049 1.00 32.40 H new ATOM 0 HE ARG A 76 -25.548 7.003 21.443 1.00 3.03 H new ATOM 0 HH11 ARG A 76 -24.413 9.684 23.440 1.00 41.25 H new ATOM 0 HH12 ARG A 76 -23.655 8.626 24.635 1.00 41.25 H new ATOM 0 HH21 ARG A 76 -24.572 5.650 22.981 1.00 30.22 H new ATOM 0 HH22 ARG A 76 -23.745 6.352 24.376 1.00 30.22 H new ATOM 1208 N MET A 77 -29.378 10.312 17.994 1.00 11.15 N ATOM 1209 CA MET A 77 -29.592 10.954 16.702 1.00 25.44 C ATOM 1210 C MET A 77 -30.065 12.393 16.882 1.00 63.35 C ATOM 1211 O MET A 77 -29.695 13.278 16.110 1.00 10.04 O ATOM 1212 CB MET A 77 -30.614 10.167 15.881 1.00 74.41 C ATOM 1213 CG MET A 77 -31.095 10.904 14.642 1.00 74.13 C ATOM 1214 SD MET A 77 -32.324 9.969 13.710 1.00 23.21 S ATOM 1215 CE MET A 77 -33.706 11.108 13.734 1.00 21.42 C ATOM 0 H MET A 77 -29.844 9.411 18.100 1.00 11.15 H new ATOM 0 HA MET A 77 -28.642 10.967 16.168 1.00 25.44 H new ATOM 0 HB2 MET A 77 -30.172 9.217 15.580 1.00 74.41 H new ATOM 0 HB3 MET A 77 -31.472 9.934 16.511 1.00 74.41 H new ATOM 0 HG2 MET A 77 -31.521 11.863 14.937 1.00 74.13 H new ATOM 0 HG3 MET A 77 -30.242 11.119 13.998 1.00 74.13 H new ATOM 0 HE1 MET A 77 -34.547 10.671 13.196 1.00 21.42 H new ATOM 0 HE2 MET A 77 -33.998 11.304 14.766 1.00 21.42 H new ATOM 0 HE3 MET A 77 -33.415 12.043 13.255 1.00 21.42 H new ATOM 1225 N SER A 78 -30.884 12.619 17.903 1.00 34.42 N ATOM 1226 CA SER A 78 -31.411 13.950 18.181 1.00 72.34 C ATOM 1227 C SER A 78 -30.293 14.901 18.594 1.00 43.41 C ATOM 1228 O SER A 78 -30.189 16.015 18.080 1.00 44.15 O ATOM 1229 CB SER A 78 -32.472 13.882 19.281 1.00 3.43 C ATOM 1230 OG SER A 78 -32.821 15.179 19.733 1.00 50.41 O ATOM 0 H SER A 78 -31.198 11.897 18.552 1.00 34.42 H new ATOM 0 HA SER A 78 -31.869 14.331 17.268 1.00 72.34 H new ATOM 0 HB2 SER A 78 -33.359 13.374 18.904 1.00 3.43 H new ATOM 0 HB3 SER A 78 -32.097 13.291 20.116 1.00 3.43 H new ATOM 0 HG SER A 78 -33.502 15.109 20.435 1.00 50.41 H new ATOM 1236 N ASP A 79 -29.459 14.454 19.526 1.00 4.30 N ATOM 1237 CA ASP A 79 -28.346 15.264 20.009 1.00 53.50 C ATOM 1238 C ASP A 79 -27.400 15.624 18.868 1.00 53.34 C ATOM 1239 O ASP A 79 -26.626 16.575 18.968 1.00 65.11 O ATOM 1240 CB ASP A 79 -27.583 14.519 21.105 1.00 41.30 C ATOM 1241 CG ASP A 79 -26.574 15.404 21.811 1.00 32.54 C ATOM 1242 OD1 ASP A 79 -27.000 16.334 22.526 1.00 1.45 O ATOM 1243 OD2 ASP A 79 -25.359 15.165 21.649 1.00 41.24 O ATOM 0 H ASP A 79 -29.532 13.535 19.963 1.00 4.30 H new ATOM 0 HA ASP A 79 -28.753 16.186 20.423 1.00 53.50 H new ATOM 0 HB2 ASP A 79 -28.291 14.127 21.835 1.00 41.30 H new ATOM 0 HB3 ASP A 79 -27.069 13.663 20.668 1.00 41.30 H new ATOM 1248 N GLU A 80 -27.469 14.857 17.784 1.00 34.01 N ATOM 1249 CA GLU A 80 -26.617 15.095 16.625 1.00 33.30 C ATOM 1250 C GLU A 80 -26.873 16.479 16.036 1.00 35.11 C ATOM 1251 O GLU A 80 -26.063 16.998 15.268 1.00 13.22 O ATOM 1252 CB GLU A 80 -26.857 14.023 15.560 1.00 62.23 C ATOM 1253 CG GLU A 80 -25.825 14.032 14.444 1.00 31.03 C ATOM 1254 CD GLU A 80 -26.333 13.376 13.175 1.00 43.23 C ATOM 1255 OE1 GLU A 80 -27.369 12.683 13.238 1.00 53.02 O ATOM 1256 OE2 GLU A 80 -25.692 13.557 12.118 1.00 75.04 O ATOM 0 H GLU A 80 -28.106 14.066 17.685 1.00 34.01 H new ATOM 0 HA GLU A 80 -25.579 15.046 16.953 1.00 33.30 H new ATOM 0 HB2 GLU A 80 -26.856 13.043 16.037 1.00 62.23 H new ATOM 0 HB3 GLU A 80 -27.848 14.167 15.129 1.00 62.23 H new ATOM 0 HG2 GLU A 80 -25.539 15.061 14.227 1.00 31.03 H new ATOM 0 HG3 GLU A 80 -24.926 13.515 14.781 1.00 31.03 H new ATOM 1263 N ASP A 81 -28.006 17.070 16.401 1.00 3.10 N ATOM 1264 CA ASP A 81 -28.370 18.394 15.910 1.00 43.20 C ATOM 1265 C ASP A 81 -27.221 19.379 16.101 1.00 1.53 C ATOM 1266 O ASP A 81 -27.052 20.312 15.315 1.00 71.51 O ATOM 1267 CB ASP A 81 -29.619 18.903 16.630 1.00 35.21 C ATOM 1268 CG ASP A 81 -29.805 20.400 16.480 1.00 0.04 C ATOM 1269 OD1 ASP A 81 -30.175 20.845 15.373 1.00 23.33 O ATOM 1270 OD2 ASP A 81 -29.581 21.127 17.471 1.00 52.05 O ATOM 0 H ASP A 81 -28.688 16.653 17.035 1.00 3.10 H new ATOM 0 HA ASP A 81 -28.582 18.313 14.844 1.00 43.20 H new ATOM 0 HB2 ASP A 81 -30.496 18.390 16.236 1.00 35.21 H new ATOM 0 HB3 ASP A 81 -29.552 18.653 17.689 1.00 35.21 H new ATOM 1275 N ARG A 82 -26.435 19.167 17.151 1.00 4.14 N ATOM 1276 CA ARG A 82 -25.303 20.038 17.447 1.00 32.33 C ATOM 1277 C ARG A 82 -24.065 19.604 16.669 1.00 61.44 C ATOM 1278 O ARG A 82 -23.547 20.351 15.838 1.00 31.24 O ATOM 1279 CB ARG A 82 -25.004 20.029 18.948 1.00 54.04 C ATOM 1280 CG ARG A 82 -23.691 20.702 19.311 1.00 50.31 C ATOM 1281 CD ARG A 82 -23.697 22.175 18.933 1.00 42.22 C ATOM 1282 NE ARG A 82 -24.629 22.947 19.750 1.00 35.52 N ATOM 1283 CZ ARG A 82 -24.823 24.253 19.610 1.00 43.22 C ATOM 1284 NH1 ARG A 82 -24.152 24.931 18.688 1.00 21.34 N ATOM 1285 NH2 ARG A 82 -25.689 24.885 20.392 1.00 61.22 N ATOM 0 H ARG A 82 -26.561 18.400 17.811 1.00 4.14 H new ATOM 0 HA ARG A 82 -25.567 21.051 17.142 1.00 32.33 H new ATOM 0 HB2 ARG A 82 -25.817 20.529 19.475 1.00 54.04 H new ATOM 0 HB3 ARG A 82 -24.983 18.997 19.300 1.00 54.04 H new ATOM 0 HG2 ARG A 82 -23.513 20.601 20.382 1.00 50.31 H new ATOM 0 HG3 ARG A 82 -22.870 20.198 18.802 1.00 50.31 H new ATOM 0 HD2 ARG A 82 -22.692 22.582 19.047 1.00 42.22 H new ATOM 0 HD3 ARG A 82 -23.966 22.278 17.882 1.00 42.22 H new ATOM 0 HE ARG A 82 -25.161 22.456 20.468 1.00 35.52 H new ATOM 0 HH11 ARG A 82 -23.485 24.449 18.085 1.00 21.34 H new ATOM 0 HH12 ARG A 82 -24.303 25.934 18.582 1.00 21.34 H new ATOM 0 HH21 ARG A 82 -26.207 24.367 21.102 1.00 61.22 H new ATOM 0 HH22 ARG A 82 -25.837 25.888 20.283 1.00 61.22 H new ATOM 1299 N VAL A 83 -23.595 18.391 16.943 1.00 65.01 N ATOM 1300 CA VAL A 83 -22.418 17.857 16.268 1.00 24.21 C ATOM 1301 C VAL A 83 -22.575 17.924 14.753 1.00 2.22 C ATOM 1302 O VAL A 83 -21.588 17.943 14.017 1.00 53.11 O ATOM 1303 CB VAL A 83 -22.148 16.398 16.681 1.00 60.41 C ATOM 1304 CG1 VAL A 83 -22.117 16.268 18.196 1.00 34.01 C ATOM 1305 CG2 VAL A 83 -23.195 15.472 16.079 1.00 2.14 C ATOM 0 H VAL A 83 -24.011 17.760 17.628 1.00 65.01 H new ATOM 0 HA VAL A 83 -21.572 18.475 16.570 1.00 24.21 H new ATOM 0 HB VAL A 83 -21.171 16.104 16.296 1.00 60.41 H new ATOM 0 HG11 VAL A 83 -21.925 15.230 18.468 1.00 34.01 H new ATOM 0 HG12 VAL A 83 -21.327 16.901 18.599 1.00 34.01 H new ATOM 0 HG13 VAL A 83 -23.077 16.579 18.608 1.00 34.01 H new ATOM 0 HG21 VAL A 83 -22.989 14.445 16.381 1.00 2.14 H new ATOM 0 HG22 VAL A 83 -24.184 15.763 16.432 1.00 2.14 H new ATOM 0 HG23 VAL A 83 -23.162 15.544 14.992 1.00 2.14 H new ATOM 1315 N ARG A 84 -23.821 17.961 14.294 1.00 34.32 N ATOM 1316 CA ARG A 84 -24.108 18.025 12.866 1.00 12.43 C ATOM 1317 C ARG A 84 -23.290 19.126 12.197 1.00 55.02 C ATOM 1318 O ARG A 84 -22.920 19.014 11.028 1.00 4.31 O ATOM 1319 CB ARG A 84 -25.600 18.271 12.635 1.00 53.33 C ATOM 1320 CG ARG A 84 -25.959 18.511 11.177 1.00 31.43 C ATOM 1321 CD ARG A 84 -27.466 18.544 10.973 1.00 64.34 C ATOM 1322 NE ARG A 84 -27.823 18.708 9.566 1.00 15.33 N ATOM 1323 CZ ARG A 84 -27.655 19.841 8.893 1.00 63.22 C ATOM 1324 NH1 ARG A 84 -27.136 20.902 9.494 1.00 42.51 N ATOM 1325 NH2 ARG A 84 -28.005 19.913 7.615 1.00 61.51 N ATOM 0 H ARG A 84 -24.648 17.948 14.890 1.00 34.32 H new ATOM 0 HA ARG A 84 -23.831 17.069 12.421 1.00 12.43 H new ATOM 0 HB2 ARG A 84 -26.162 17.413 13.002 1.00 53.33 H new ATOM 0 HB3 ARG A 84 -25.913 19.133 13.224 1.00 53.33 H new ATOM 0 HG2 ARG A 84 -25.525 19.454 10.845 1.00 31.43 H new ATOM 0 HG3 ARG A 84 -25.524 17.725 10.560 1.00 31.43 H new ATOM 0 HD2 ARG A 84 -27.904 17.621 11.353 1.00 64.34 H new ATOM 0 HD3 ARG A 84 -27.893 19.362 11.553 1.00 64.34 H new ATOM 0 HE ARG A 84 -28.223 17.909 9.074 1.00 15.33 H new ATOM 0 HH11 ARG A 84 -26.864 20.850 10.476 1.00 42.51 H new ATOM 0 HH12 ARG A 84 -27.008 21.771 8.975 1.00 42.51 H new ATOM 0 HH21 ARG A 84 -28.403 19.098 7.149 1.00 61.51 H new ATOM 0 HH22 ARG A 84 -27.876 20.783 7.099 1.00 61.51 H new ATOM 1339 N TYR A 85 -23.014 20.188 12.945 1.00 43.11 N ATOM 1340 CA TYR A 85 -22.243 21.310 12.423 1.00 4.43 C ATOM 1341 C TYR A 85 -20.822 20.879 12.073 1.00 42.12 C ATOM 1342 O TYR A 85 -20.281 21.269 11.039 1.00 51.04 O ATOM 1343 CB TYR A 85 -22.205 22.449 13.444 1.00 23.34 C ATOM 1344 CG TYR A 85 -21.943 23.805 12.830 1.00 42.03 C ATOM 1345 CD1 TYR A 85 -22.795 24.328 11.864 1.00 5.15 C ATOM 1346 CD2 TYR A 85 -20.843 24.563 13.213 1.00 33.02 C ATOM 1347 CE1 TYR A 85 -22.559 25.567 11.299 1.00 21.45 C ATOM 1348 CE2 TYR A 85 -20.601 25.803 12.655 1.00 62.13 C ATOM 1349 CZ TYR A 85 -21.461 26.300 11.698 1.00 11.32 C ATOM 1350 OH TYR A 85 -21.222 27.534 11.138 1.00 11.55 O ATOM 0 H TYR A 85 -23.312 20.296 13.914 1.00 43.11 H new ATOM 0 HA TYR A 85 -22.731 21.661 11.514 1.00 4.43 H new ATOM 0 HB2 TYR A 85 -23.155 22.479 13.978 1.00 23.34 H new ATOM 0 HB3 TYR A 85 -21.431 22.238 14.182 1.00 23.34 H new ATOM 0 HD1 TYR A 85 -23.656 23.756 11.550 1.00 5.15 H new ATOM 0 HD2 TYR A 85 -20.166 24.176 13.960 1.00 33.02 H new ATOM 0 HE1 TYR A 85 -23.230 25.959 10.549 1.00 21.45 H new ATOM 0 HE2 TYR A 85 -19.743 26.380 12.966 1.00 62.13 H new ATOM 0 HH TYR A 85 -20.410 27.919 11.529 1.00 11.55 H new ATOM 1360 N GLU A 86 -20.224 20.071 12.943 1.00 41.11 N ATOM 1361 CA GLU A 86 -18.866 19.586 12.726 1.00 41.52 C ATOM 1362 C GLU A 86 -18.860 18.390 11.778 1.00 10.51 C ATOM 1363 O GLU A 86 -17.954 18.239 10.958 1.00 54.41 O ATOM 1364 CB GLU A 86 -18.220 19.199 14.058 1.00 61.04 C ATOM 1365 CG GLU A 86 -18.444 20.218 15.162 1.00 42.30 C ATOM 1366 CD GLU A 86 -18.280 21.646 14.680 1.00 43.53 C ATOM 1367 OE1 GLU A 86 -17.388 21.891 13.841 1.00 42.40 O ATOM 1368 OE2 GLU A 86 -19.044 22.519 15.142 1.00 54.44 O ATOM 0 H GLU A 86 -20.658 19.739 13.804 1.00 41.11 H new ATOM 0 HA GLU A 86 -18.289 20.391 12.271 1.00 41.52 H new ATOM 0 HB2 GLU A 86 -18.617 18.236 14.378 1.00 61.04 H new ATOM 0 HB3 GLU A 86 -17.148 19.068 13.908 1.00 61.04 H new ATOM 0 HG2 GLU A 86 -19.446 20.090 15.572 1.00 42.30 H new ATOM 0 HG3 GLU A 86 -17.741 20.029 15.973 1.00 42.30 H new ATOM 1375 N ARG A 87 -19.877 17.543 11.898 1.00 42.11 N ATOM 1376 CA ARG A 87 -19.989 16.360 11.054 1.00 65.51 C ATOM 1377 C ARG A 87 -20.108 16.750 9.584 1.00 72.44 C ATOM 1378 O ARG A 87 -19.420 16.196 8.727 1.00 21.32 O ATOM 1379 CB ARG A 87 -21.199 15.522 11.471 1.00 51.33 C ATOM 1380 CG ARG A 87 -21.462 14.335 10.559 1.00 43.14 C ATOM 1381 CD ARG A 87 -22.626 14.603 9.617 1.00 24.32 C ATOM 1382 NE ARG A 87 -22.656 13.660 8.502 1.00 23.12 N ATOM 1383 CZ ARG A 87 -23.658 13.580 7.634 1.00 42.31 C ATOM 1384 NH1 ARG A 87 -24.706 14.383 7.751 1.00 12.51 N ATOM 1385 NH2 ARG A 87 -23.612 12.696 6.646 1.00 52.25 N ATOM 0 H ARG A 87 -20.635 17.654 12.571 1.00 42.11 H new ATOM 0 HA ARG A 87 -19.084 15.766 11.182 1.00 65.51 H new ATOM 0 HB2 ARG A 87 -21.047 15.161 12.488 1.00 51.33 H new ATOM 0 HB3 ARG A 87 -22.083 16.159 11.488 1.00 51.33 H new ATOM 0 HG2 ARG A 87 -20.566 14.115 9.979 1.00 43.14 H new ATOM 0 HG3 ARG A 87 -21.676 13.452 11.162 1.00 43.14 H new ATOM 0 HD2 ARG A 87 -23.563 14.539 10.171 1.00 24.32 H new ATOM 0 HD3 ARG A 87 -22.553 15.619 9.230 1.00 24.32 H new ATOM 0 HE ARG A 87 -21.864 13.028 8.383 1.00 23.12 H new ATOM 0 HH11 ARG A 87 -24.744 15.064 8.509 1.00 12.51 H new ATOM 0 HH12 ARG A 87 -25.474 14.320 7.083 1.00 12.51 H new ATOM 0 HH21 ARG A 87 -22.807 12.077 6.553 1.00 52.25 H new ATOM 0 HH22 ARG A 87 -24.382 12.635 5.980 1.00 52.25 H new ATOM 1399 N GLU A 88 -20.987 17.706 9.300 1.00 71.21 N ATOM 1400 CA GLU A 88 -21.197 18.168 7.933 1.00 13.10 C ATOM 1401 C GLU A 88 -19.882 18.615 7.302 1.00 40.05 C ATOM 1402 O GLU A 88 -19.721 18.576 6.082 1.00 43.45 O ATOM 1403 CB GLU A 88 -22.204 19.320 7.910 1.00 52.02 C ATOM 1404 CG GLU A 88 -22.770 19.606 6.529 1.00 50.11 C ATOM 1405 CD GLU A 88 -23.557 20.901 6.478 1.00 43.43 C ATOM 1406 OE1 GLU A 88 -23.150 21.870 7.152 1.00 44.53 O ATOM 1407 OE2 GLU A 88 -24.580 20.946 5.763 1.00 63.53 O ATOM 0 H GLU A 88 -21.565 18.175 9.998 1.00 71.21 H new ATOM 0 HA GLU A 88 -21.594 17.336 7.352 1.00 13.10 H new ATOM 0 HB2 GLU A 88 -23.025 19.088 8.589 1.00 52.02 H new ATOM 0 HB3 GLU A 88 -21.722 20.221 8.289 1.00 52.02 H new ATOM 0 HG2 GLU A 88 -21.954 19.653 5.808 1.00 50.11 H new ATOM 0 HG3 GLU A 88 -23.415 18.781 6.227 1.00 50.11 H new ATOM 1414 N LYS A 89 -18.944 19.040 8.141 1.00 22.10 N ATOM 1415 CA LYS A 89 -17.642 19.494 7.668 1.00 43.13 C ATOM 1416 C LYS A 89 -16.993 18.445 6.770 1.00 40.41 C ATOM 1417 O LYS A 89 -16.440 18.770 5.720 1.00 44.31 O ATOM 1418 CB LYS A 89 -16.725 19.804 8.853 1.00 23.41 C ATOM 1419 CG LYS A 89 -15.742 20.930 8.584 1.00 11.21 C ATOM 1420 CD LYS A 89 -16.242 22.252 9.143 1.00 75.24 C ATOM 1421 CE LYS A 89 -16.172 22.277 10.662 1.00 53.22 C ATOM 1422 NZ LYS A 89 -14.767 22.235 11.153 1.00 71.30 N ATOM 0 H LYS A 89 -19.061 19.080 9.153 1.00 22.10 H new ATOM 0 HA LYS A 89 -17.792 20.403 7.085 1.00 43.13 H new ATOM 0 HB2 LYS A 89 -17.337 20.066 9.716 1.00 23.41 H new ATOM 0 HB3 LYS A 89 -16.170 18.904 9.117 1.00 23.41 H new ATOM 0 HG2 LYS A 89 -14.778 20.687 9.030 1.00 11.21 H new ATOM 0 HG3 LYS A 89 -15.581 21.025 7.510 1.00 11.21 H new ATOM 0 HD2 LYS A 89 -15.646 23.069 8.737 1.00 75.24 H new ATOM 0 HD3 LYS A 89 -17.270 22.418 8.822 1.00 75.24 H new ATOM 0 HE2 LYS A 89 -16.660 23.178 11.033 1.00 53.22 H new ATOM 0 HE3 LYS A 89 -16.723 21.427 11.065 1.00 53.22 H new ATOM 0 HZ1 LYS A 89 -14.735 22.555 12.142 1.00 71.30 H new ATOM 0 HZ2 LYS A 89 -14.407 21.261 11.092 1.00 71.30 H new ATOM 0 HZ3 LYS A 89 -14.176 22.860 10.568 1.00 71.30 H new ATOM 1436 N ALA A 90 -17.066 17.187 7.190 1.00 74.54 N ATOM 1437 CA ALA A 90 -16.489 16.090 6.422 1.00 55.35 C ATOM 1438 C ALA A 90 -16.962 16.127 4.972 1.00 12.12 C ATOM 1439 O ALA A 90 -16.155 16.240 4.050 1.00 74.50 O ATOM 1440 CB ALA A 90 -16.843 14.755 7.060 1.00 3.22 C ATOM 0 H ALA A 90 -17.519 16.901 8.058 1.00 74.54 H new ATOM 0 HA ALA A 90 -15.405 16.207 6.427 1.00 55.35 H new ATOM 0 HB1 ALA A 90 -16.406 13.945 6.476 1.00 3.22 H new ATOM 0 HB2 ALA A 90 -16.451 14.722 8.076 1.00 3.22 H new ATOM 0 HB3 ALA A 90 -17.927 14.640 7.085 1.00 3.22 H new ATOM 1446 N GLU A 91 -18.274 16.031 4.780 1.00 70.23 N ATOM 1447 CA GLU A 91 -18.853 16.052 3.441 1.00 25.33 C ATOM 1448 C GLU A 91 -18.503 17.349 2.718 1.00 60.14 C ATOM 1449 O GLU A 91 -18.478 17.399 1.488 1.00 62.13 O ATOM 1450 CB GLU A 91 -20.372 15.890 3.516 1.00 53.10 C ATOM 1451 CG GLU A 91 -20.816 14.635 4.249 1.00 4.21 C ATOM 1452 CD GLU A 91 -20.851 13.415 3.349 1.00 4.31 C ATOM 1453 OE1 GLU A 91 -21.578 13.446 2.335 1.00 54.20 O ATOM 1454 OE2 GLU A 91 -20.149 12.430 3.659 1.00 32.45 O ATOM 0 H GLU A 91 -18.955 15.938 5.533 1.00 70.23 H new ATOM 0 HA GLU A 91 -18.434 15.218 2.878 1.00 25.33 H new ATOM 0 HB2 GLU A 91 -20.797 16.761 4.014 1.00 53.10 H new ATOM 0 HB3 GLU A 91 -20.777 15.872 2.504 1.00 53.10 H new ATOM 0 HG2 GLU A 91 -20.140 14.447 5.083 1.00 4.21 H new ATOM 0 HG3 GLU A 91 -21.807 14.798 4.673 1.00 4.21 H new ATOM 1461 N TYR A 92 -18.235 18.396 3.490 1.00 44.04 N ATOM 1462 CA TYR A 92 -17.890 19.695 2.923 1.00 25.44 C ATOM 1463 C TYR A 92 -16.480 19.677 2.340 1.00 40.30 C ATOM 1464 O TYR A 92 -16.235 20.223 1.265 1.00 64.35 O ATOM 1465 CB TYR A 92 -17.998 20.785 3.991 1.00 75.05 C ATOM 1466 CG TYR A 92 -17.984 22.188 3.427 1.00 61.24 C ATOM 1467 CD1 TYR A 92 -19.043 22.662 2.662 1.00 63.40 C ATOM 1468 CD2 TYR A 92 -16.911 23.040 3.659 1.00 32.14 C ATOM 1469 CE1 TYR A 92 -19.033 23.942 2.144 1.00 0.22 C ATOM 1470 CE2 TYR A 92 -16.894 24.323 3.147 1.00 64.32 C ATOM 1471 CZ TYR A 92 -17.957 24.769 2.389 1.00 25.05 C ATOM 1472 OH TYR A 92 -17.944 26.046 1.877 1.00 63.13 O ATOM 0 H TYR A 92 -18.250 18.371 4.510 1.00 44.04 H new ATOM 0 HA TYR A 92 -18.594 19.911 2.119 1.00 25.44 H new ATOM 0 HB2 TYR A 92 -18.919 20.639 4.556 1.00 75.05 H new ATOM 0 HB3 TYR A 92 -17.172 20.677 4.694 1.00 75.05 H new ATOM 0 HD1 TYR A 92 -19.888 22.018 2.469 1.00 63.40 H new ATOM 0 HD2 TYR A 92 -16.076 22.693 4.250 1.00 32.14 H new ATOM 0 HE1 TYR A 92 -19.864 24.294 1.550 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -16.053 24.973 3.339 1.00 64.32 H new ATOM 0 HH TYR A 92 -17.115 26.497 2.143 1.00 63.13 H new ATOM 1482 N ALA A 93 -15.557 19.046 3.058 1.00 32.31 N ATOM 1483 CA ALA A 93 -14.173 18.954 2.612 1.00 64.10 C ATOM 1484 C ALA A 93 -14.027 17.945 1.478 1.00 70.02 C ATOM 1485 O ALA A 93 -13.060 17.988 0.718 1.00 53.34 O ATOM 1486 CB ALA A 93 -13.267 18.577 3.775 1.00 10.53 C ATOM 0 H ALA A 93 -15.743 18.591 3.952 1.00 32.31 H new ATOM 0 HA ALA A 93 -13.874 19.932 2.234 1.00 64.10 H new ATOM 0 HB1 ALA A 93 -12.236 18.512 3.427 1.00 10.53 H new ATOM 0 HB2 ALA A 93 -13.340 19.336 4.554 1.00 10.53 H new ATOM 0 HB3 ALA A 93 -13.575 17.613 4.179 1.00 10.53 H new ATOM 1492 N GLN A 94 -14.993 17.038 1.371 1.00 3.02 N ATOM 1493 CA GLN A 94 -14.970 16.017 0.330 1.00 0.41 C ATOM 1494 C GLN A 94 -15.293 16.622 -1.032 1.00 52.22 C ATOM 1495 O GLN A 94 -14.549 16.440 -1.995 1.00 45.14 O ATOM 1496 CB GLN A 94 -15.966 14.904 0.656 1.00 35.34 C ATOM 1497 CG GLN A 94 -15.701 14.220 1.988 1.00 3.40 C ATOM 1498 CD GLN A 94 -15.580 12.715 1.858 1.00 60.25 C ATOM 1499 OE1 GLN A 94 -14.640 12.206 1.246 1.00 3.52 O ATOM 1500 NE2 GLN A 94 -16.534 11.992 2.433 1.00 3.12 N ATOM 0 H GLN A 94 -15.801 16.989 1.992 1.00 3.02 H new ATOM 0 HA GLN A 94 -13.966 15.596 0.291 1.00 0.41 H new ATOM 0 HB2 GLN A 94 -16.973 15.321 0.665 1.00 35.34 H new ATOM 0 HB3 GLN A 94 -15.937 14.158 -0.138 1.00 35.34 H new ATOM 0 HG2 GLN A 94 -14.783 14.618 2.420 1.00 3.40 H new ATOM 0 HG3 GLN A 94 -16.508 14.457 2.681 1.00 3.40 H new ATOM 0 HE21 GLN A 94 -17.295 12.455 2.930 1.00 3.12 H new ATOM 0 HE22 GLN A 94 -16.506 10.974 2.377 1.00 3.12 H new ATOM 1509 N ARG A 95 -16.408 17.342 -1.105 1.00 73.31 N ATOM 1510 CA ARG A 95 -16.831 17.972 -2.350 1.00 62.10 C ATOM 1511 C ARG A 95 -15.708 18.822 -2.937 1.00 52.51 C ATOM 1512 O ARG A 95 -15.510 18.856 -4.152 1.00 24.42 O ATOM 1513 CB ARG A 95 -18.070 18.837 -2.114 1.00 32.24 C ATOM 1514 CG ARG A 95 -18.891 19.081 -3.369 1.00 74.52 C ATOM 1515 CD ARG A 95 -19.373 20.521 -3.449 1.00 61.21 C ATOM 1516 NE ARG A 95 -20.797 20.605 -3.762 1.00 1.31 N ATOM 1517 CZ ARG A 95 -21.759 20.346 -2.883 1.00 41.14 C ATOM 1518 NH1 ARG A 95 -21.451 19.988 -1.644 1.00 40.44 N ATOM 1519 NH2 ARG A 95 -23.032 20.445 -3.243 1.00 52.15 N ATOM 0 H ARG A 95 -17.035 17.503 -0.317 1.00 73.31 H new ATOM 0 HA ARG A 95 -17.077 17.184 -3.062 1.00 62.10 H new ATOM 0 HB2 ARG A 95 -18.700 18.357 -1.365 1.00 32.24 H new ATOM 0 HB3 ARG A 95 -17.759 19.797 -1.701 1.00 32.24 H new ATOM 0 HG2 ARG A 95 -18.291 18.848 -4.249 1.00 74.52 H new ATOM 0 HG3 ARG A 95 -19.748 18.408 -3.381 1.00 74.52 H new ATOM 0 HD2 ARG A 95 -19.180 21.021 -2.500 1.00 61.21 H new ATOM 0 HD3 ARG A 95 -18.802 21.052 -4.211 1.00 61.21 H new ATOM 0 HE ARG A 95 -21.068 20.877 -4.707 1.00 1.31 H new ATOM 0 HH11 ARG A 95 -20.473 19.911 -1.364 1.00 40.44 H new ATOM 0 HH12 ARG A 95 -22.192 19.790 -0.971 1.00 40.44 H new ATOM 0 HH21 ARG A 95 -23.273 20.720 -4.195 1.00 52.15 H new ATOM 0 HH22 ARG A 95 -23.770 20.246 -2.568 1.00 52.15 H new ATOM 1533 N LYS A 96 -14.977 19.510 -2.067 1.00 23.14 N ATOM 1534 CA LYS A 96 -13.873 20.360 -2.497 1.00 13.51 C ATOM 1535 C LYS A 96 -12.802 19.543 -3.212 1.00 35.53 C ATOM 1536 O LYS A 96 -12.494 19.789 -4.378 1.00 4.44 O ATOM 1537 CB LYS A 96 -13.261 21.083 -1.295 1.00 43.11 C ATOM 1538 CG LYS A 96 -14.255 21.938 -0.528 1.00 25.11 C ATOM 1539 CD LYS A 96 -14.332 23.346 -1.093 1.00 4.30 C ATOM 1540 CE LYS A 96 -13.059 24.131 -0.810 1.00 74.44 C ATOM 1541 NZ LYS A 96 -13.311 25.598 -0.766 1.00 64.22 N ATOM 0 H LYS A 96 -15.129 19.496 -1.059 1.00 23.14 H new ATOM 0 HA LYS A 96 -14.267 21.098 -3.195 1.00 13.51 H new ATOM 0 HB2 LYS A 96 -12.831 20.345 -0.618 1.00 43.11 H new ATOM 0 HB3 LYS A 96 -12.442 21.714 -1.640 1.00 43.11 H new ATOM 0 HG2 LYS A 96 -15.241 21.475 -0.567 1.00 25.11 H new ATOM 0 HG3 LYS A 96 -13.965 21.982 0.522 1.00 25.11 H new ATOM 0 HD2 LYS A 96 -14.500 23.299 -2.169 1.00 4.30 H new ATOM 0 HD3 LYS A 96 -15.186 23.867 -0.660 1.00 4.30 H new ATOM 0 HE2 LYS A 96 -12.636 23.806 0.141 1.00 74.44 H new ATOM 0 HE3 LYS A 96 -12.319 23.912 -1.580 1.00 74.44 H new ATOM 0 HZ1 LYS A 96 -12.420 26.098 -0.571 1.00 64.22 H new ATOM 0 HZ2 LYS A 96 -13.691 25.913 -1.682 1.00 64.22 H new ATOM 0 HZ3 LYS A 96 -13.998 25.810 -0.015 1.00 64.22 H new ATOM 1555 N VAL A 97 -12.240 18.567 -2.506 1.00 20.33 N ATOM 1556 CA VAL A 97 -11.206 17.711 -3.074 1.00 24.52 C ATOM 1557 C VAL A 97 -11.733 16.934 -4.275 1.00 34.12 C ATOM 1558 O VAL A 97 -11.469 17.291 -5.423 1.00 34.02 O ATOM 1559 CB VAL A 97 -10.665 16.715 -2.030 1.00 41.30 C ATOM 1560 CG1 VAL A 97 -9.609 15.813 -2.649 1.00 62.24 C ATOM 1561 CG2 VAL A 97 -10.104 17.458 -0.827 1.00 12.03 C ATOM 0 H VAL A 97 -12.484 18.350 -1.540 1.00 20.33 H new ATOM 0 HA VAL A 97 -10.396 18.366 -3.395 1.00 24.52 H new ATOM 0 HB VAL A 97 -11.489 16.088 -1.690 1.00 41.30 H new ATOM 0 HG11 VAL A 97 -9.239 15.117 -1.897 1.00 62.24 H new ATOM 0 HG12 VAL A 97 -10.047 15.254 -3.476 1.00 62.24 H new ATOM 0 HG13 VAL A 97 -8.783 16.420 -3.019 1.00 62.24 H new ATOM 0 HG21 VAL A 97 -9.726 16.740 -0.099 1.00 12.03 H new ATOM 0 HG22 VAL A 97 -9.292 18.110 -1.148 1.00 12.03 H new ATOM 0 HG23 VAL A 97 -10.891 18.057 -0.370 1.00 12.03 H new