USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1158 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -82:sc= 0.0156 USER MOD Single : A 38 THR OG1 : rot 110:sc= -0.0191 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.62 K(o=-1.6,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -129:sc= 0.466 USER MOD Single : A 55 GLN : amide:sc= -0.0282 K(o=-0.028,f=-5.1!) USER MOD Single : A 56 SER OG : rot 43:sc= 0.244 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.133 USER MOD Single : A 80 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot -79:sc= 0.0172 USER MOD Single : B 138 THR OG1 : rot 110:sc= -0.0363 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 148 ASN : amide:sc= -1.61 K(o=-1.6,f=0) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot -120:sc= 0.467 USER MOD Single : B 155 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : B 156 SER OG : rot 40:sc= 0.332 USER MOD Single : B 158 GLN : amide:sc= -0.0115 K(o=-0.011,f=-0.91) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= -0.195 USER MOD Single : B 180 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.849 41.425 -1.957 1.00 9.95 N ATOM 2 CA ALA A 1 17.855 40.386 -1.588 1.00 9.34 C ATOM 3 C ALA A 1 18.000 39.171 -2.493 1.00 8.30 C ATOM 4 O ALA A 1 18.861 38.327 -2.249 1.00 8.16 O ATOM 5 CB ALA A 1 16.449 40.947 -1.645 1.00 9.73 C ATOM 0 H1 ALA A 1 18.739 42.249 -1.331 1.00 9.95 H new ATOM 0 H2 ALA A 1 19.809 41.039 -1.855 1.00 9.95 H new ATOM 0 H3 ALA A 1 18.696 41.717 -2.943 1.00 9.95 H new ATOM 0 HA ALA A 1 18.045 40.069 -0.562 1.00 9.34 H new ATOM 0 HB1 ALA A 1 15.736 40.170 -1.371 1.00 9.73 H new ATOM 0 HB2 ALA A 1 16.362 41.781 -0.949 1.00 9.73 H new ATOM 0 HB3 ALA A 1 16.237 41.294 -2.656 1.00 9.73 H new ATOM 13 N VAL A 2 17.190 39.097 -3.559 1.00 7.83 N ATOM 14 CA VAL A 2 17.258 37.994 -4.535 1.00 7.06 C ATOM 15 C VAL A 2 17.431 36.626 -3.875 1.00 5.87 C ATOM 16 O VAL A 2 17.543 36.530 -2.650 1.00 5.74 O ATOM 17 CB VAL A 2 18.382 38.252 -5.574 1.00 7.48 C ATOM 18 CG1 VAL A 2 19.758 37.916 -5.019 1.00 8.02 C ATOM 19 CG2 VAL A 2 18.118 37.485 -6.865 1.00 7.83 C ATOM 0 H VAL A 2 16.474 39.792 -3.770 1.00 7.83 H new ATOM 0 HA VAL A 2 16.298 37.970 -5.050 1.00 7.06 H new ATOM 0 HB VAL A 2 18.373 39.319 -5.799 1.00 7.48 H new ATOM 0 HG11 VAL A 2 20.515 38.111 -5.779 1.00 8.02 H new ATOM 0 HG12 VAL A 2 19.957 38.532 -4.142 1.00 8.02 H new ATOM 0 HG13 VAL A 2 19.790 36.863 -4.738 1.00 8.02 H new ATOM 0 HG21 VAL A 2 18.920 37.683 -7.576 1.00 7.83 H new ATOM 0 HG22 VAL A 2 18.077 36.417 -6.652 1.00 7.83 H new ATOM 0 HG23 VAL A 2 17.168 37.806 -7.291 1.00 7.83 H new ATOM 29 N LEU A 3 17.486 35.563 -4.670 1.00 5.32 N ATOM 30 CA LEU A 3 17.685 34.259 -4.140 1.00 4.36 C ATOM 31 C LEU A 3 19.158 33.858 -4.016 1.00 4.03 C ATOM 32 O LEU A 3 19.436 32.678 -3.806 1.00 4.40 O ATOM 33 CB LEU A 3 16.859 33.227 -4.912 1.00 4.40 C ATOM 34 CG LEU A 3 15.447 33.691 -5.320 1.00 5.00 C ATOM 35 CD1 LEU A 3 15.504 34.737 -6.421 1.00 5.26 C ATOM 36 CD2 LEU A 3 14.590 32.509 -5.752 1.00 5.86 C ATOM 0 H LEU A 3 17.393 35.600 -5.685 1.00 5.32 H new ATOM 0 HA LEU A 3 17.321 34.283 -3.113 1.00 4.36 H new ATOM 0 HB2 LEU A 3 17.406 32.946 -5.812 1.00 4.40 H new ATOM 0 HB3 LEU A 3 16.767 32.329 -4.302 1.00 4.40 H new ATOM 0 HG LEU A 3 14.987 34.149 -4.445 1.00 5.00 H new ATOM 0 HD11 LEU A 3 14.492 35.043 -6.685 1.00 5.26 H new ATOM 0 HD12 LEU A 3 16.065 35.604 -6.071 1.00 5.26 H new ATOM 0 HD13 LEU A 3 15.996 34.316 -7.298 1.00 5.26 H new ATOM 0 HD21 LEU A 3 13.599 32.863 -6.035 1.00 5.86 H new ATOM 0 HD22 LEU A 3 15.056 32.014 -6.604 1.00 5.86 H new ATOM 0 HD23 LEU A 3 14.501 31.803 -4.926 1.00 5.86 H new ATOM 48 N ASP A 4 20.059 34.772 -4.156 1.00 3.91 N ATOM 49 CA ASP A 4 21.463 34.401 -4.055 1.00 4.19 C ATOM 50 C ASP A 4 21.730 33.652 -2.746 1.00 3.97 C ATOM 51 O ASP A 4 21.394 32.471 -2.643 1.00 4.06 O ATOM 52 CB ASP A 4 22.382 35.617 -4.215 1.00 4.92 C ATOM 53 CG ASP A 4 23.008 35.671 -5.593 1.00 5.74 C ATOM 54 OD1 ASP A 4 23.826 34.779 -5.906 1.00 6.19 O ATOM 55 OD2 ASP A 4 22.680 36.599 -6.359 1.00 6.22 O ATOM 0 H ASP A 4 19.875 35.759 -4.336 1.00 3.91 H new ATOM 0 HA ASP A 4 21.693 33.725 -4.878 1.00 4.19 H new ATOM 0 HB2 ASP A 4 21.812 36.529 -4.039 1.00 4.92 H new ATOM 0 HB3 ASP A 4 23.167 35.581 -3.460 1.00 4.92 H new ATOM 60 N LEU A 5 22.322 34.291 -1.748 1.00 4.28 N ATOM 61 CA LEU A 5 22.572 33.549 -0.506 1.00 4.71 C ATOM 62 C LEU A 5 22.603 34.425 0.728 1.00 5.46 C ATOM 63 O LEU A 5 23.145 34.053 1.767 1.00 6.27 O ATOM 64 CB LEU A 5 23.870 32.769 -0.642 1.00 5.36 C ATOM 65 CG LEU A 5 24.267 31.909 0.565 1.00 6.10 C ATOM 66 CD1 LEU A 5 23.167 30.911 0.899 1.00 5.79 C ATOM 67 CD2 LEU A 5 25.576 31.186 0.292 1.00 7.09 C ATOM 0 H LEU A 5 22.626 35.265 -1.759 1.00 4.28 H new ATOM 0 HA LEU A 5 21.733 32.868 -0.363 1.00 4.71 H new ATOM 0 HB2 LEU A 5 23.792 32.121 -1.515 1.00 5.36 H new ATOM 0 HB3 LEU A 5 24.676 33.475 -0.841 1.00 5.36 H new ATOM 0 HG LEU A 5 24.405 32.565 1.424 1.00 6.10 H new ATOM 0 HD11 LEU A 5 23.468 30.311 1.758 1.00 5.79 H new ATOM 0 HD12 LEU A 5 22.248 31.448 1.136 1.00 5.79 H new ATOM 0 HD13 LEU A 5 22.995 30.259 0.043 1.00 5.79 H new ATOM 0 HD21 LEU A 5 25.844 30.580 1.157 1.00 7.09 H new ATOM 0 HD22 LEU A 5 25.461 30.542 -0.580 1.00 7.09 H new ATOM 0 HD23 LEU A 5 26.363 31.917 0.103 1.00 7.09 H new ATOM 79 N ASP A 6 21.997 35.593 0.613 1.00 5.46 N ATOM 80 CA ASP A 6 21.932 36.543 1.731 1.00 6.41 C ATOM 81 C ASP A 6 20.838 36.057 2.655 1.00 6.28 C ATOM 82 O ASP A 6 21.114 35.475 3.705 1.00 6.48 O ATOM 83 CB ASP A 6 21.634 37.957 1.224 1.00 7.20 C ATOM 84 CG ASP A 6 22.884 38.810 1.125 1.00 8.21 C ATOM 85 OD1 ASP A 6 23.601 38.696 0.109 1.00 8.64 O ATOM 86 OD2 ASP A 6 23.146 39.590 2.065 1.00 8.78 O ATOM 0 H ASP A 6 21.540 35.915 -0.240 1.00 5.46 H new ATOM 0 HA ASP A 6 22.886 36.592 2.256 1.00 6.41 H new ATOM 0 HB2 ASP A 6 21.160 37.897 0.244 1.00 7.20 H new ATOM 0 HB3 ASP A 6 20.921 38.438 1.894 1.00 7.20 H new ATOM 91 N VAL A 7 19.649 36.002 2.090 1.00 6.22 N ATOM 92 CA VAL A 7 18.617 35.233 2.722 1.00 6.28 C ATOM 93 C VAL A 7 17.647 34.983 1.652 1.00 5.52 C ATOM 94 O VAL A 7 17.034 35.950 1.194 1.00 5.69 O ATOM 95 CB VAL A 7 17.987 35.951 3.918 1.00 7.22 C ATOM 96 CG1 VAL A 7 17.524 37.352 3.544 1.00 7.36 C ATOM 97 CG2 VAL A 7 16.846 35.128 4.504 1.00 7.51 C ATOM 0 H VAL A 7 19.386 36.468 1.221 1.00 6.22 H new ATOM 0 HA VAL A 7 19.008 34.311 3.152 1.00 6.28 H new ATOM 0 HB VAL A 7 18.753 36.057 4.686 1.00 7.22 H new ATOM 0 HG11 VAL A 7 17.082 37.834 4.416 1.00 7.36 H new ATOM 0 HG12 VAL A 7 18.377 37.937 3.200 1.00 7.36 H new ATOM 0 HG13 VAL A 7 16.782 37.290 2.748 1.00 7.36 H new ATOM 0 HG21 VAL A 7 16.414 35.658 5.353 1.00 7.51 H new ATOM 0 HG22 VAL A 7 16.080 34.974 3.744 1.00 7.51 H new ATOM 0 HG23 VAL A 7 17.227 34.162 4.835 1.00 7.51 H new ATOM 107 N ARG A 8 17.396 33.783 1.226 1.00 5.09 N ATOM 108 CA ARG A 8 16.387 33.677 0.215 1.00 4.80 C ATOM 109 C ARG A 8 15.093 33.792 0.921 1.00 4.48 C ATOM 110 O ARG A 8 14.806 32.921 1.745 1.00 4.96 O ATOM 111 CB ARG A 8 16.468 32.388 -0.580 1.00 5.24 C ATOM 112 CG ARG A 8 15.219 32.101 -1.409 1.00 6.15 C ATOM 113 CD ARG A 8 14.665 33.338 -2.094 1.00 6.93 C ATOM 114 NE ARG A 8 13.212 33.282 -2.195 1.00 7.61 N ATOM 115 CZ ARG A 8 12.550 32.269 -2.747 1.00 8.32 C ATOM 116 NH1 ARG A 8 13.204 31.303 -3.384 1.00 8.49 N ATOM 117 NH2 ARG A 8 11.228 32.232 -2.687 1.00 9.08 N ATOM 0 H ARG A 8 17.839 32.918 1.534 1.00 5.09 H new ATOM 0 HA ARG A 8 16.519 34.464 -0.528 1.00 4.80 H new ATOM 0 HB2 ARG A 8 17.331 32.434 -1.244 1.00 5.24 H new ATOM 0 HB3 ARG A 8 16.637 31.558 0.106 1.00 5.24 H new ATOM 0 HG2 ARG A 8 15.455 31.350 -2.163 1.00 6.15 H new ATOM 0 HG3 ARG A 8 14.451 31.675 -0.763 1.00 6.15 H new ATOM 0 HD2 ARG A 8 14.959 34.227 -1.536 1.00 6.93 H new ATOM 0 HD3 ARG A 8 15.098 33.429 -3.090 1.00 6.93 H new ATOM 0 HE ARG A 8 12.673 34.063 -1.822 1.00 7.61 H new ATOM 0 HH11 ARG A 8 14.221 31.335 -3.452 1.00 8.49 H new ATOM 0 HH12 ARG A 8 12.689 30.530 -3.805 1.00 8.49 H new ATOM 0 HH21 ARG A 8 10.718 32.980 -2.218 1.00 9.08 H new ATOM 0 HH22 ARG A 8 10.720 31.455 -3.110 1.00 9.08 H new ATOM 131 N THR A 9 14.280 34.803 0.672 1.00 4.05 N ATOM 132 CA THR A 9 13.053 34.761 1.445 1.00 4.08 C ATOM 133 C THR A 9 12.364 33.476 1.014 1.00 3.18 C ATOM 134 O THR A 9 11.817 33.367 -0.081 1.00 3.47 O ATOM 135 CB THR A 9 12.154 35.986 1.201 1.00 4.95 C ATOM 136 OG1 THR A 9 12.907 37.106 0.757 1.00 5.55 O ATOM 137 CG2 THR A 9 11.387 36.403 2.440 1.00 5.66 C ATOM 0 H THR A 9 14.417 35.577 0.022 1.00 4.05 H new ATOM 0 HA THR A 9 13.263 34.783 2.514 1.00 4.08 H new ATOM 0 HB THR A 9 11.448 35.676 0.431 1.00 4.95 H new ATOM 0 HG1 THR A 9 12.306 37.866 0.610 1.00 5.55 H new ATOM 0 HG21 THR A 9 10.769 37.271 2.211 1.00 5.66 H new ATOM 0 HG22 THR A 9 10.750 35.581 2.767 1.00 5.66 H new ATOM 0 HG23 THR A 9 12.089 36.657 3.234 1.00 5.66 H new ATOM 145 N CYS A 10 12.446 32.504 1.909 1.00 2.54 N ATOM 146 CA CYS A 10 11.894 31.168 1.712 1.00 1.93 C ATOM 147 C CYS A 10 10.378 31.056 1.977 1.00 1.72 C ATOM 148 O CYS A 10 9.981 30.955 3.139 1.00 1.97 O ATOM 149 CB CYS A 10 12.700 30.188 2.560 1.00 2.28 C ATOM 150 SG CYS A 10 13.306 28.695 1.675 1.00 2.68 S ATOM 0 H CYS A 10 12.907 32.622 2.811 1.00 2.54 H new ATOM 0 HA CYS A 10 11.987 30.921 0.654 1.00 1.93 H new ATOM 0 HB2 CYS A 10 13.558 30.715 2.978 1.00 2.28 H new ATOM 0 HB3 CYS A 10 12.083 29.867 3.399 1.00 2.28 H new ATOM 155 N LEU A 11 9.531 31.032 0.939 1.00 1.49 N ATOM 156 CA LEU A 11 8.068 30.879 1.138 1.00 1.39 C ATOM 157 C LEU A 11 7.751 30.010 2.372 1.00 1.20 C ATOM 158 O LEU A 11 8.046 28.812 2.376 1.00 1.16 O ATOM 159 CB LEU A 11 7.409 30.263 -0.100 1.00 1.55 C ATOM 160 CG LEU A 11 5.909 30.558 -0.248 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.563 30.885 -1.692 1.00 2.48 C ATOM 162 CD2 LEU A 11 5.077 29.379 0.242 1.00 2.29 C ATOM 0 H LEU A 11 9.819 31.115 -0.036 1.00 1.49 H new ATOM 0 HA LEU A 11 7.663 31.878 1.303 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.926 30.627 -0.988 1.00 1.55 H new ATOM 0 HB3 LEU A 11 7.551 29.183 -0.070 1.00 1.55 H new ATOM 0 HG LEU A 11 5.674 31.426 0.367 1.00 1.91 H new ATOM 0 HD11 LEU A 11 4.496 31.090 -1.773 1.00 2.48 H new ATOM 0 HD12 LEU A 11 6.126 31.762 -2.012 1.00 2.48 H new ATOM 0 HD13 LEU A 11 5.819 30.038 -2.328 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.018 29.609 0.128 1.00 2.29 H new ATOM 0 HD22 LEU A 11 5.321 28.493 -0.344 1.00 2.29 H new ATOM 0 HD23 LEU A 11 5.297 29.191 1.293 1.00 2.29 H new ATOM 174 N PRO A 12 7.167 30.604 3.442 1.00 1.19 N ATOM 175 CA PRO A 12 6.842 29.893 4.693 1.00 1.11 C ATOM 176 C PRO A 12 5.397 29.362 4.774 1.00 1.01 C ATOM 177 O PRO A 12 4.455 30.118 4.531 1.00 1.05 O ATOM 178 CB PRO A 12 7.026 31.010 5.709 1.00 1.29 C ATOM 179 CG PRO A 12 6.537 32.238 5.009 1.00 1.49 C ATOM 180 CD PRO A 12 6.808 32.035 3.536 1.00 1.39 C ATOM 0 HA PRO A 12 7.453 29.000 4.824 1.00 1.11 H new ATOM 0 HB2 PRO A 12 6.456 30.818 6.618 1.00 1.29 H new ATOM 0 HB3 PRO A 12 8.071 31.110 6.003 1.00 1.29 H new ATOM 0 HG2 PRO A 12 5.473 32.388 5.190 1.00 1.49 H new ATOM 0 HG3 PRO A 12 7.052 33.125 5.379 1.00 1.49 H new ATOM 0 HD2 PRO A 12 5.932 32.269 2.931 1.00 1.39 H new ATOM 0 HD3 PRO A 12 7.618 32.675 3.185 1.00 1.39 H new ATOM 188 N CYS A 13 5.212 28.048 5.037 1.00 0.93 N ATOM 189 CA CYS A 13 3.871 27.459 5.053 1.00 0.89 C ATOM 190 C CYS A 13 3.730 26.437 6.181 1.00 0.90 C ATOM 191 O CYS A 13 4.588 26.349 7.062 1.00 1.00 O ATOM 192 CB CYS A 13 3.592 26.800 3.668 1.00 0.82 C ATOM 193 SG CYS A 13 3.377 24.969 3.638 1.00 0.86 S ATOM 0 H CYS A 13 5.967 27.392 5.237 1.00 0.93 H new ATOM 0 HA CYS A 13 3.137 28.244 5.237 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.692 27.253 3.253 1.00 0.82 H new ATOM 0 HB3 CYS A 13 4.415 27.055 3.000 1.00 0.82 H new ATOM 198 N GLY A 14 2.651 25.667 6.156 1.00 0.91 N ATOM 199 CA GLY A 14 2.425 24.674 7.183 1.00 0.98 C ATOM 200 C GLY A 14 1.974 25.300 8.471 1.00 1.10 C ATOM 201 O GLY A 14 1.628 26.483 8.485 1.00 1.15 O ATOM 0 H GLY A 14 1.927 25.714 5.439 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.674 23.962 6.842 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.343 24.111 7.354 1.00 0.98 H new ATOM 205 N PRO A 15 2.035 24.581 9.600 1.00 1.19 N ATOM 206 CA PRO A 15 1.702 25.149 10.887 1.00 1.33 C ATOM 207 C PRO A 15 2.697 26.244 11.151 1.00 1.40 C ATOM 208 O PRO A 15 3.875 26.140 10.812 1.00 1.57 O ATOM 209 CB PRO A 15 1.860 23.988 11.855 1.00 1.46 C ATOM 210 CG PRO A 15 2.983 23.325 11.224 1.00 1.39 C ATOM 211 CD PRO A 15 2.561 23.223 9.778 1.00 1.21 C ATOM 0 HA PRO A 15 0.703 25.578 10.965 1.00 1.33 H new ATOM 0 HB2 PRO A 15 2.079 24.313 12.872 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.972 23.358 11.906 1.00 1.46 H new ATOM 0 HG2 PRO A 15 3.903 23.899 11.335 1.00 1.39 H new ATOM 0 HG3 PRO A 15 3.166 22.343 11.659 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.394 23.002 9.110 1.00 1.21 H new ATOM 0 HD3 PRO A 15 1.807 22.454 9.612 1.00 1.21 H new ATOM 219 N GLY A 16 2.225 27.273 11.724 1.00 1.34 N ATOM 220 CA GLY A 16 2.974 28.424 12.052 1.00 1.47 C ATOM 221 C GLY A 16 3.532 29.119 10.869 1.00 1.43 C ATOM 222 O GLY A 16 3.985 30.260 11.008 1.00 1.68 O ATOM 0 H GLY A 16 1.245 27.345 11.996 1.00 1.34 H new ATOM 0 HA2 GLY A 16 2.339 29.116 12.605 1.00 1.47 H new ATOM 0 HA3 GLY A 16 3.790 28.140 12.716 1.00 1.47 H new ATOM 226 N GLY A 17 3.516 28.520 9.679 1.00 1.28 N ATOM 227 CA GLY A 17 4.044 29.232 8.607 1.00 1.25 C ATOM 228 C GLY A 17 5.516 29.461 8.799 1.00 1.24 C ATOM 229 O GLY A 17 6.119 30.350 8.210 1.00 1.36 O ATOM 0 H GLY A 17 3.154 27.588 9.476 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.873 28.684 7.680 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.531 30.189 8.511 1.00 1.25 H new ATOM 233 N LYS A 18 6.075 28.612 9.673 1.00 1.18 N ATOM 234 CA LYS A 18 7.484 28.626 10.029 1.00 1.23 C ATOM 235 C LYS A 18 8.338 27.692 9.163 1.00 1.13 C ATOM 236 O LYS A 18 9.553 27.645 9.342 1.00 1.22 O ATOM 237 CB LYS A 18 7.669 28.232 11.501 1.00 1.28 C ATOM 238 CG LYS A 18 6.462 28.522 12.385 1.00 1.34 C ATOM 239 CD LYS A 18 6.866 29.223 13.673 1.00 1.73 C ATOM 240 CE LYS A 18 6.655 28.332 14.885 1.00 1.91 C ATOM 241 NZ LYS A 18 7.747 27.331 15.036 1.00 2.50 N ATOM 0 H LYS A 18 5.544 27.887 10.156 1.00 1.18 H new ATOM 0 HA LYS A 18 7.825 29.647 9.855 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.896 27.167 11.554 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.533 28.762 11.901 1.00 1.28 H new ATOM 0 HG2 LYS A 18 5.752 29.143 11.839 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.952 27.589 12.623 1.00 1.34 H new ATOM 0 HD2 LYS A 18 7.914 29.517 13.615 1.00 1.73 H new ATOM 0 HD3 LYS A 18 6.285 30.138 13.788 1.00 1.73 H new ATOM 0 HE2 LYS A 18 6.600 28.948 15.783 1.00 1.91 H new ATOM 0 HE3 LYS A 18 5.699 27.816 14.794 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 7.565 26.743 15.874 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 7.783 26.727 14.190 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 8.656 27.823 15.149 1.00 2.50 H new ATOM 255 N GLY A 19 7.744 26.954 8.223 1.00 1.02 N ATOM 256 CA GLY A 19 8.495 26.052 7.365 1.00 0.95 C ATOM 257 C GLY A 19 8.365 26.530 5.936 1.00 0.91 C ATOM 258 O GLY A 19 7.655 27.511 5.705 1.00 1.00 O ATOM 0 H GLY A 19 6.741 26.968 8.041 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.543 26.030 7.663 1.00 0.95 H new ATOM 0 HA3 GLY A 19 8.115 25.035 7.460 1.00 0.95 H new ATOM 262 N ARG A 20 9.004 25.895 4.950 1.00 0.86 N ATOM 263 CA ARG A 20 8.872 26.359 3.580 1.00 0.86 C ATOM 264 C ARG A 20 8.271 25.274 2.684 1.00 0.80 C ATOM 265 O ARG A 20 8.080 24.139 3.119 1.00 0.78 O ATOM 266 CB ARG A 20 10.230 26.791 3.062 1.00 0.94 C ATOM 267 CG ARG A 20 10.871 27.846 3.939 1.00 1.13 C ATOM 268 CD ARG A 20 11.708 27.239 5.050 1.00 1.55 C ATOM 269 NE ARG A 20 12.961 27.971 5.251 1.00 1.82 N ATOM 270 CZ ARG A 20 13.314 28.560 6.396 1.00 2.25 C ATOM 271 NH1 ARG A 20 12.520 28.510 7.460 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.469 29.206 6.476 1.00 2.92 N ATOM 0 H ARG A 20 9.602 25.079 5.076 1.00 0.86 H new ATOM 0 HA ARG A 20 8.192 27.211 3.562 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.887 25.923 3.003 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.123 27.180 2.049 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.499 28.493 3.326 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.094 28.475 4.374 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.135 27.238 5.977 1.00 1.55 H new ATOM 0 HD3 ARG A 20 11.929 26.199 4.811 1.00 1.55 H new ATOM 0 HE ARG A 20 13.607 28.035 4.464 1.00 1.82 H new ATOM 0 HH11 ARG A 20 11.628 28.017 7.408 1.00 2.59 H new ATOM 0 HH12 ARG A 20 12.802 28.964 8.329 1.00 2.59 H new ATOM 0 HH21 ARG A 20 15.085 29.252 5.664 1.00 2.92 H new ATOM 0 HH22 ARG A 20 14.742 29.657 7.349 1.00 2.92 H new ATOM 286 N CYS A 21 7.971 25.635 1.437 1.00 0.82 N ATOM 287 CA CYS A 21 7.375 24.690 0.478 1.00 0.81 C ATOM 288 C CYS A 21 8.413 24.252 -0.554 1.00 0.84 C ATOM 289 O CYS A 21 9.308 25.016 -0.918 1.00 1.04 O ATOM 290 CB CYS A 21 6.204 25.340 -0.281 1.00 0.91 C ATOM 291 SG CYS A 21 4.573 25.241 0.533 1.00 1.10 S ATOM 0 H CYS A 21 8.128 26.571 1.063 1.00 0.82 H new ATOM 0 HA CYS A 21 7.018 23.832 1.048 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.442 26.391 -0.447 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.128 24.872 -1.262 1.00 0.91 H new ATOM 296 N PHE A 22 8.285 23.010 -1.013 1.00 0.76 N ATOM 297 CA PHE A 22 9.207 22.445 -2.002 1.00 0.83 C ATOM 298 C PHE A 22 8.445 21.651 -3.058 1.00 0.94 C ATOM 299 O PHE A 22 8.608 21.876 -4.257 1.00 1.43 O ATOM 300 CB PHE A 22 10.226 21.541 -1.307 1.00 0.85 C ATOM 301 CG PHE A 22 11.174 22.301 -0.433 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.759 22.811 0.790 1.00 1.42 C ATOM 303 CD2 PHE A 22 12.479 22.528 -0.845 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.634 23.532 1.583 1.00 1.50 C ATOM 305 CE2 PHE A 22 13.355 23.245 -0.053 1.00 1.51 C ATOM 306 CZ PHE A 22 12.932 23.748 1.162 1.00 1.14 C ATOM 0 H PHE A 22 7.548 22.370 -0.716 1.00 0.76 H new ATOM 0 HA PHE A 22 9.729 23.265 -2.495 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.698 20.801 -0.705 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.793 20.994 -2.060 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.746 22.644 1.125 1.00 1.42 H new ATOM 0 HD2 PHE A 22 12.814 22.140 -1.796 1.00 1.40 H new ATOM 0 HE1 PHE A 22 11.302 23.926 2.532 1.00 1.50 H new ATOM 0 HE2 PHE A 22 14.370 23.412 -0.383 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.615 24.309 1.782 1.00 1.14 H new ATOM 316 N GLY A 23 7.606 20.727 -2.603 1.00 0.83 N ATOM 317 CA GLY A 23 6.821 19.919 -3.518 1.00 0.88 C ATOM 318 C GLY A 23 5.391 20.412 -3.616 1.00 0.88 C ATOM 319 O GLY A 23 5.090 21.513 -3.164 1.00 0.90 O ATOM 0 H GLY A 23 7.455 20.523 -1.615 1.00 0.83 H new ATOM 0 HA2 GLY A 23 7.281 19.938 -4.506 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.826 18.882 -3.184 1.00 0.88 H new ATOM 323 N PRO A 24 4.475 19.617 -4.193 1.00 1.01 N ATOM 324 CA PRO A 24 3.073 20.003 -4.320 1.00 1.07 C ATOM 325 C PRO A 24 2.327 19.843 -3.001 1.00 0.96 C ATOM 326 O PRO A 24 1.810 20.810 -2.444 1.00 1.03 O ATOM 327 CB PRO A 24 2.509 19.037 -5.374 1.00 1.32 C ATOM 328 CG PRO A 24 3.636 18.134 -5.778 1.00 1.50 C ATOM 329 CD PRO A 24 4.725 18.287 -4.752 1.00 1.24 C ATOM 0 HA PRO A 24 2.964 21.051 -4.600 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.679 18.461 -4.966 1.00 1.32 H new ATOM 0 HB3 PRO A 24 2.124 19.585 -6.234 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.299 17.099 -5.828 1.00 1.50 H new ATOM 0 HG3 PRO A 24 4.003 18.398 -6.770 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.669 17.512 -3.987 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.715 18.219 -5.203 1.00 1.24 H new ATOM 337 N SER A 25 2.290 18.613 -2.504 1.00 0.97 N ATOM 338 CA SER A 25 1.626 18.308 -1.242 1.00 0.92 C ATOM 339 C SER A 25 2.660 18.134 -0.141 1.00 0.78 C ATOM 340 O SER A 25 2.440 17.396 0.821 1.00 0.81 O ATOM 341 CB SER A 25 0.812 17.019 -1.373 1.00 1.12 C ATOM 342 OG SER A 25 -0.501 17.186 -0.870 1.00 1.26 O ATOM 0 H SER A 25 2.715 17.805 -2.959 1.00 0.97 H new ATOM 0 HA SER A 25 0.960 19.134 -0.992 1.00 0.92 H new ATOM 0 HB2 SER A 25 0.767 16.720 -2.420 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.311 16.215 -0.833 1.00 1.12 H new ATOM 0 HG SER A 25 -0.495 17.074 0.104 1.00 1.26 H new ATOM 348 N ILE A 26 3.811 18.775 -0.306 1.00 0.70 N ATOM 349 CA ILE A 26 4.885 18.635 0.652 1.00 0.61 C ATOM 350 C ILE A 26 5.484 19.975 1.093 1.00 0.58 C ATOM 351 O ILE A 26 6.005 20.735 0.275 1.00 0.73 O ATOM 352 CB ILE A 26 5.998 17.728 0.093 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.471 16.793 -0.999 1.00 0.79 C ATOM 354 CG2 ILE A 26 6.613 16.951 1.209 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.575 16.196 -1.845 1.00 0.83 C ATOM 0 H ILE A 26 4.018 19.392 -1.092 1.00 0.70 H new ATOM 0 HA ILE A 26 4.441 18.177 1.536 1.00 0.61 H new ATOM 0 HB ILE A 26 6.758 18.358 -0.369 1.00 0.60 H new ATOM 0 HG12 ILE A 26 4.899 15.989 -0.537 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.785 17.344 -1.642 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.401 16.309 0.815 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.038 17.639 1.940 1.00 0.74 H new ATOM 0 HG23 ILE A 26 5.850 16.337 1.688 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.141 15.542 -2.601 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.132 16.996 -2.333 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.248 15.619 -1.211 1.00 0.83 H new ATOM 367 N CYS A 27 5.432 20.232 2.405 1.00 0.56 N ATOM 368 CA CYS A 27 5.993 21.456 2.990 1.00 0.56 C ATOM 369 C CYS A 27 7.016 21.074 4.057 1.00 0.55 C ATOM 370 O CYS A 27 6.694 20.398 5.029 1.00 0.59 O ATOM 371 CB CYS A 27 4.896 22.339 3.597 1.00 0.60 C ATOM 372 SG CYS A 27 5.236 24.141 3.561 1.00 0.92 S ATOM 0 H CYS A 27 5.004 19.604 3.086 1.00 0.56 H new ATOM 0 HA CYS A 27 6.477 22.032 2.201 1.00 0.56 H new ATOM 0 HB2 CYS A 27 3.964 22.151 3.064 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.739 22.036 4.632 1.00 0.60 H new ATOM 377 N CYS A 28 8.252 21.475 3.832 1.00 0.56 N ATOM 378 CA CYS A 28 9.355 21.163 4.707 1.00 0.58 C ATOM 379 C CYS A 28 10.245 22.373 5.045 1.00 0.61 C ATOM 380 O CYS A 28 10.948 22.882 4.178 1.00 0.76 O ATOM 381 CB CYS A 28 10.238 20.096 4.040 1.00 0.65 C ATOM 382 SG CYS A 28 9.564 19.392 2.499 1.00 1.28 S ATOM 0 H CYS A 28 8.518 22.035 3.022 1.00 0.56 H new ATOM 0 HA CYS A 28 8.914 20.813 5.640 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.213 20.535 3.826 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.402 19.286 4.750 1.00 0.65 H new ATOM 387 N GLY A 29 10.235 22.824 6.326 1.00 0.62 N ATOM 388 CA GLY A 29 11.071 23.936 6.714 1.00 0.65 C ATOM 389 C GLY A 29 12.272 23.508 7.534 1.00 0.67 C ATOM 390 O GLY A 29 12.710 22.364 7.470 1.00 0.66 O ATOM 0 H GLY A 29 9.664 22.431 7.075 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.414 24.457 5.820 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.478 24.647 7.289 1.00 0.65 H new ATOM 394 N ASP A 30 12.815 24.458 8.269 1.00 0.72 N ATOM 395 CA ASP A 30 14.019 24.251 9.070 1.00 0.76 C ATOM 396 C ASP A 30 13.872 23.287 10.234 1.00 0.77 C ATOM 397 O ASP A 30 14.643 22.343 10.360 1.00 0.80 O ATOM 398 CB ASP A 30 14.573 25.590 9.564 1.00 0.84 C ATOM 399 CG ASP A 30 13.631 26.319 10.504 1.00 1.41 C ATOM 400 OD1 ASP A 30 12.414 26.347 10.223 1.00 1.92 O ATOM 401 OD2 ASP A 30 14.111 26.865 11.521 1.00 2.27 O ATOM 0 H ASP A 30 12.436 25.403 8.332 1.00 0.72 H new ATOM 0 HA ASP A 30 14.722 23.771 8.390 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.521 25.417 10.073 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.783 26.227 8.705 1.00 0.84 H new ATOM 406 N GLU A 31 12.954 23.556 11.114 1.00 0.78 N ATOM 407 CA GLU A 31 12.784 22.724 12.306 1.00 0.83 C ATOM 408 C GLU A 31 11.409 22.144 12.334 1.00 0.87 C ATOM 409 O GLU A 31 10.901 21.725 13.374 1.00 1.00 O ATOM 410 CB GLU A 31 13.052 23.511 13.587 1.00 0.90 C ATOM 411 CG GLU A 31 13.798 24.810 13.367 1.00 0.99 C ATOM 412 CD GLU A 31 14.735 25.154 14.510 1.00 1.14 C ATOM 413 OE1 GLU A 31 14.281 25.147 15.675 1.00 1.64 O ATOM 414 OE2 GLU A 31 15.921 25.435 14.239 1.00 1.66 O ATOM 0 H GLU A 31 12.304 24.339 11.045 1.00 0.78 H new ATOM 0 HA GLU A 31 13.515 21.917 12.256 1.00 0.83 H new ATOM 0 HB2 GLU A 31 12.101 23.728 14.074 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.625 22.886 14.272 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.371 24.742 12.442 1.00 0.99 H new ATOM 0 HG3 GLU A 31 13.079 25.619 13.238 1.00 0.99 H new ATOM 421 N LEU A 32 10.800 22.179 11.173 1.00 0.82 N ATOM 422 CA LEU A 32 9.492 21.700 10.970 1.00 0.88 C ATOM 423 C LEU A 32 9.589 20.486 10.070 1.00 0.82 C ATOM 424 O LEU A 32 8.756 19.581 10.098 1.00 0.90 O ATOM 425 CB LEU A 32 8.717 22.839 10.346 1.00 0.93 C ATOM 426 CG LEU A 32 7.591 23.405 11.214 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.256 24.823 10.791 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.364 22.518 11.142 1.00 1.37 C ATOM 0 H LEU A 32 11.231 22.557 10.330 1.00 0.82 H new ATOM 0 HA LEU A 32 8.983 21.391 11.883 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.412 23.644 10.108 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.291 22.496 9.403 1.00 0.93 H new ATOM 0 HG LEU A 32 7.932 23.429 12.249 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.453 25.210 11.419 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.138 25.453 10.901 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.935 24.826 9.749 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.575 22.937 11.766 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.018 22.459 10.110 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.616 21.519 11.498 1.00 1.37 H new ATOM 440 N GLY A 33 10.676 20.465 9.309 1.00 0.73 N ATOM 441 CA GLY A 33 10.954 19.373 8.453 1.00 0.71 C ATOM 442 C GLY A 33 10.074 19.317 7.240 1.00 0.67 C ATOM 443 O GLY A 33 9.978 20.296 6.538 1.00 0.65 O ATOM 0 H GLY A 33 11.371 21.211 9.284 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.995 19.429 8.133 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.843 18.445 9.015 1.00 0.71 H new ATOM 447 N CYS A 34 9.446 18.173 6.974 1.00 0.70 N ATOM 448 CA CYS A 34 8.625 18.049 5.770 1.00 0.69 C ATOM 449 C CYS A 34 7.317 17.309 5.965 1.00 0.65 C ATOM 450 O CYS A 34 7.323 16.117 6.255 1.00 0.62 O ATOM 451 CB CYS A 34 9.421 17.281 4.720 1.00 0.73 C ATOM 452 SG CYS A 34 8.876 17.553 3.014 1.00 1.08 S ATOM 0 H CYS A 34 9.487 17.338 7.559 1.00 0.70 H new ATOM 0 HA CYS A 34 8.378 19.068 5.474 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.471 17.562 4.801 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.358 16.216 4.942 1.00 0.73 H new ATOM 457 N PHE A 35 6.189 17.986 5.736 1.00 0.68 N ATOM 458 CA PHE A 35 4.917 17.355 5.833 1.00 0.67 C ATOM 459 C PHE A 35 4.600 16.885 4.449 1.00 0.64 C ATOM 460 O PHE A 35 4.288 17.702 3.581 1.00 0.63 O ATOM 461 CB PHE A 35 3.860 18.373 6.263 1.00 0.69 C ATOM 462 CG PHE A 35 4.164 19.104 7.541 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.371 19.762 7.734 1.00 0.98 C ATOM 464 CD2 PHE A 35 3.233 19.123 8.562 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.633 20.415 8.923 1.00 1.21 C ATOM 466 CE2 PHE A 35 3.491 19.778 9.745 1.00 1.38 C ATOM 467 CZ PHE A 35 4.687 20.420 9.929 1.00 1.26 C ATOM 0 H PHE A 35 6.155 18.973 5.483 1.00 0.68 H new ATOM 0 HA PHE A 35 4.927 16.543 6.560 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.736 19.104 5.464 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.906 17.858 6.375 1.00 0.69 H new ATOM 0 HD1 PHE A 35 6.112 19.763 6.948 1.00 0.98 H new ATOM 0 HD2 PHE A 35 2.288 18.616 8.430 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.576 20.921 9.066 1.00 1.21 H new ATOM 0 HE2 PHE A 35 2.749 19.786 10.530 1.00 1.38 H new ATOM 0 HZ PHE A 35 4.890 20.929 10.860 1.00 1.26 H new ATOM 477 N VAL A 36 4.675 15.599 4.216 1.00 0.67 N ATOM 478 CA VAL A 36 4.386 15.122 2.902 1.00 0.68 C ATOM 479 C VAL A 36 2.965 14.634 2.864 1.00 0.71 C ATOM 480 O VAL A 36 2.681 13.453 3.050 1.00 0.74 O ATOM 481 CB VAL A 36 5.383 14.029 2.430 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.409 13.957 0.904 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.787 14.312 2.976 1.00 0.76 C ATOM 0 H VAL A 36 4.927 14.887 4.902 1.00 0.67 H new ATOM 0 HA VAL A 36 4.506 15.947 2.200 1.00 0.68 H new ATOM 0 HB VAL A 36 5.050 13.066 2.817 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.112 13.187 0.588 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.413 13.713 0.534 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.720 14.920 0.500 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.473 13.536 2.636 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.129 15.282 2.616 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.759 14.319 4.066 1.00 0.76 H new ATOM 493 N GLY A 37 2.067 15.584 2.630 1.00 0.71 N ATOM 494 CA GLY A 37 0.650 15.236 2.551 1.00 0.76 C ATOM 495 C GLY A 37 -0.313 16.264 3.132 1.00 0.72 C ATOM 496 O GLY A 37 -0.998 16.957 2.379 1.00 0.81 O ATOM 0 H GLY A 37 2.282 16.572 2.495 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.392 15.073 1.505 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.497 14.289 3.068 1.00 0.76 H new ATOM 500 N THR A 38 -0.399 16.326 4.470 1.00 0.68 N ATOM 501 CA THR A 38 -1.315 17.246 5.178 1.00 0.68 C ATOM 502 C THR A 38 -1.708 18.461 4.342 1.00 0.72 C ATOM 503 O THR A 38 -0.972 18.887 3.451 1.00 0.77 O ATOM 504 CB THR A 38 -0.691 17.710 6.492 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.244 18.947 6.909 1.00 0.77 O ATOM 506 CG2 THR A 38 0.800 17.887 6.400 1.00 0.76 C ATOM 0 H THR A 38 0.160 15.744 5.093 1.00 0.68 H new ATOM 0 HA THR A 38 -2.226 16.681 5.374 1.00 0.68 H new ATOM 0 HB THR A 38 -0.912 16.922 7.212 1.00 0.72 H new ATOM 0 HG1 THR A 38 -1.802 18.805 7.702 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.187 18.218 7.364 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.263 16.938 6.129 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.032 18.634 5.640 1.00 0.76 H new ATOM 514 N ALA A 39 -2.874 19.027 4.648 1.00 0.77 N ATOM 515 CA ALA A 39 -3.356 20.183 3.919 1.00 0.86 C ATOM 516 C ALA A 39 -2.395 21.350 4.036 1.00 0.82 C ATOM 517 O ALA A 39 -2.199 22.090 3.079 1.00 0.86 O ATOM 518 CB ALA A 39 -4.729 20.580 4.440 1.00 1.02 C ATOM 0 H ALA A 39 -3.493 18.702 5.391 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.429 19.917 2.865 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -5.089 21.450 3.890 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.424 19.751 4.304 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.659 20.824 5.500 1.00 1.02 H new ATOM 524 N GLU A 40 -1.817 21.538 5.217 1.00 0.78 N ATOM 525 CA GLU A 40 -0.896 22.641 5.459 1.00 0.79 C ATOM 526 C GLU A 40 0.051 22.891 4.284 1.00 0.74 C ATOM 527 O GLU A 40 0.503 24.018 4.073 1.00 0.79 O ATOM 528 CB GLU A 40 -0.104 22.355 6.731 1.00 0.82 C ATOM 529 CG GLU A 40 -0.928 22.497 8.002 1.00 1.25 C ATOM 530 CD GLU A 40 -0.843 21.275 8.895 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.268 20.959 9.371 1.00 1.91 O ATOM 532 OE2 GLU A 40 -1.889 20.631 9.117 1.00 2.32 O ATOM 0 H GLU A 40 -1.972 20.936 6.026 1.00 0.78 H new ATOM 0 HA GLU A 40 -1.485 23.550 5.576 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.299 21.343 6.679 1.00 0.82 H new ATOM 0 HB3 GLU A 40 0.747 23.035 6.781 1.00 0.82 H new ATOM 0 HG2 GLU A 40 -0.586 23.371 8.556 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -1.970 22.676 7.736 1.00 1.25 H new ATOM 539 N ALA A 41 0.372 21.847 3.534 1.00 0.70 N ATOM 540 CA ALA A 41 1.268 21.965 2.413 1.00 0.71 C ATOM 541 C ALA A 41 0.509 22.302 1.146 1.00 0.78 C ATOM 542 O ALA A 41 1.099 22.753 0.188 1.00 0.87 O ATOM 543 CB ALA A 41 2.039 20.673 2.226 1.00 0.77 C ATOM 0 H ALA A 41 0.017 20.904 3.691 1.00 0.70 H new ATOM 0 HA ALA A 41 1.968 22.775 2.619 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.714 20.772 1.376 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.617 20.461 3.125 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.341 19.856 2.042 1.00 0.77 H new ATOM 549 N LEU A 42 -0.792 22.024 1.118 1.00 0.81 N ATOM 550 CA LEU A 42 -1.592 22.263 -0.083 1.00 0.94 C ATOM 551 C LEU A 42 -1.214 23.553 -0.797 1.00 1.05 C ATOM 552 O LEU A 42 -1.073 23.549 -2.021 1.00 1.23 O ATOM 553 CB LEU A 42 -3.088 22.257 0.240 1.00 0.98 C ATOM 554 CG LEU A 42 -3.797 20.918 0.023 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.035 20.815 0.905 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.171 20.743 -1.443 1.00 1.16 C ATOM 0 H LEU A 42 -1.312 21.636 1.905 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.372 21.441 -0.764 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.220 22.555 1.280 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.579 23.013 -0.373 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.110 20.119 0.302 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -5.524 19.856 0.735 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.743 20.893 1.952 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.725 21.622 0.659 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -4.674 19.786 -1.578 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -4.838 21.550 -1.747 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.269 20.768 -2.054 1.00 1.16 H new ATOM 568 N ARG A 43 -1.008 24.644 -0.066 1.00 1.04 N ATOM 569 CA ARG A 43 -0.591 25.878 -0.720 1.00 1.23 C ATOM 570 C ARG A 43 0.633 25.563 -1.582 1.00 1.24 C ATOM 571 O ARG A 43 0.899 26.215 -2.594 1.00 1.46 O ATOM 572 CB ARG A 43 -0.252 26.956 0.310 1.00 1.32 C ATOM 573 CG ARG A 43 0.727 26.499 1.385 1.00 1.34 C ATOM 574 CD ARG A 43 0.082 26.492 2.762 1.00 1.50 C ATOM 575 NE ARG A 43 -0.301 27.834 3.196 1.00 1.88 N ATOM 576 CZ ARG A 43 -1.291 28.085 4.051 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.010 27.092 4.560 1.00 2.39 N ATOM 578 NH2 ARG A 43 -1.564 29.336 4.398 1.00 2.92 N ATOM 0 H ARG A 43 -1.118 24.700 0.946 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.403 26.262 -1.337 1.00 1.23 H new ATOM 0 HB2 ARG A 43 0.168 27.819 -0.207 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.173 27.289 0.789 1.00 1.32 H new ATOM 0 HG2 ARG A 43 1.089 25.499 1.147 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.595 27.159 1.392 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -0.800 25.851 2.746 1.00 1.50 H new ATOM 0 HD3 ARG A 43 0.775 26.062 3.485 1.00 1.50 H new ATOM 0 HE ARG A 43 0.221 28.626 2.822 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.806 26.128 4.297 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -2.766 27.293 5.214 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -1.016 30.104 4.010 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -2.322 29.530 5.053 1.00 2.92 H new ATOM 592 N CYS A 44 1.396 24.576 -1.111 1.00 1.08 N ATOM 593 CA CYS A 44 2.640 24.191 -1.792 1.00 1.15 C ATOM 594 C CYS A 44 2.375 23.904 -3.278 1.00 1.41 C ATOM 595 O CYS A 44 3.294 23.941 -4.096 1.00 1.57 O ATOM 596 CB CYS A 44 3.310 22.973 -1.139 1.00 1.04 C ATOM 597 SG CYS A 44 4.083 23.267 0.496 1.00 1.28 S ATOM 0 H CYS A 44 1.182 24.034 -0.274 1.00 1.08 H new ATOM 0 HA CYS A 44 3.325 25.034 -1.700 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.563 22.186 -1.030 1.00 1.04 H new ATOM 0 HB3 CYS A 44 4.074 22.595 -1.818 1.00 1.04 H new ATOM 602 N GLN A 45 1.122 23.602 -3.621 1.00 1.55 N ATOM 603 CA GLN A 45 0.739 23.297 -5.004 1.00 1.86 C ATOM 604 C GLN A 45 1.252 24.326 -6.023 1.00 2.09 C ATOM 605 O GLN A 45 1.581 23.969 -7.158 1.00 2.35 O ATOM 606 CB GLN A 45 -0.785 23.205 -5.110 1.00 1.97 C ATOM 607 CG GLN A 45 -1.266 22.247 -6.188 1.00 2.40 C ATOM 608 CD GLN A 45 -2.713 21.834 -5.999 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.614 22.389 -6.628 1.00 3.31 O ATOM 610 NE2 GLN A 45 -2.941 20.856 -5.131 1.00 3.02 N ATOM 0 H GLN A 45 0.349 23.562 -2.957 1.00 1.55 H new ATOM 0 HA GLN A 45 1.207 22.343 -5.249 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -1.189 22.888 -4.148 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -1.187 24.198 -5.313 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -1.151 22.718 -7.164 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -0.635 21.358 -6.186 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -2.163 20.425 -4.632 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -3.895 20.535 -4.963 1.00 3.02 H new ATOM 619 N GLU A 46 1.319 25.599 -5.643 1.00 2.07 N ATOM 620 CA GLU A 46 1.767 26.620 -6.591 1.00 2.35 C ATOM 621 C GLU A 46 3.280 26.756 -6.576 1.00 2.34 C ATOM 622 O GLU A 46 3.866 27.445 -7.420 1.00 2.50 O ATOM 623 CB GLU A 46 1.130 27.972 -6.262 1.00 2.41 C ATOM 624 CG GLU A 46 -0.246 28.169 -6.875 1.00 2.80 C ATOM 625 CD GLU A 46 -1.096 29.148 -6.091 1.00 3.19 C ATOM 626 OE1 GLU A 46 -1.777 28.713 -5.139 1.00 3.53 O ATOM 627 OE2 GLU A 46 -1.081 30.351 -6.429 1.00 3.69 O ATOM 0 H GLU A 46 1.077 25.944 -4.714 1.00 2.07 H new ATOM 0 HA GLU A 46 1.455 26.306 -7.587 1.00 2.35 H new ATOM 0 HB2 GLU A 46 1.053 28.072 -5.179 1.00 2.41 H new ATOM 0 HB3 GLU A 46 1.789 28.767 -6.610 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -0.136 28.527 -7.899 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -0.758 27.208 -6.926 1.00 2.80 H new ATOM 634 N GLU A 47 3.922 26.037 -5.671 1.00 2.22 N ATOM 635 CA GLU A 47 5.364 26.050 -5.612 1.00 2.31 C ATOM 636 C GLU A 47 5.923 25.063 -6.626 1.00 2.34 C ATOM 637 O GLU A 47 7.132 24.837 -6.690 1.00 2.42 O ATOM 638 CB GLU A 47 5.850 25.728 -4.202 1.00 2.37 C ATOM 639 CG GLU A 47 5.884 26.946 -3.294 1.00 2.96 C ATOM 640 CD GLU A 47 7.213 27.676 -3.347 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.391 28.521 -4.249 1.00 3.99 O ATOM 642 OE2 GLU A 47 8.075 27.402 -2.486 1.00 3.68 O ATOM 0 H GLU A 47 3.468 25.444 -4.976 1.00 2.22 H new ATOM 0 HA GLU A 47 5.724 27.048 -5.861 1.00 2.31 H new ATOM 0 HB2 GLU A 47 5.199 24.972 -3.763 1.00 2.37 H new ATOM 0 HB3 GLU A 47 6.849 25.295 -4.258 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.086 27.631 -3.581 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.685 26.636 -2.268 1.00 2.96 H new ATOM 649 N ASN A 48 5.031 24.490 -7.440 1.00 2.53 N ATOM 650 CA ASN A 48 5.445 23.563 -8.469 1.00 2.96 C ATOM 651 C ASN A 48 6.097 24.323 -9.612 1.00 3.29 C ATOM 652 O ASN A 48 6.969 23.793 -10.298 1.00 3.76 O ATOM 653 CB ASN A 48 4.249 22.761 -8.986 1.00 3.12 C ATOM 654 CG ASN A 48 4.220 21.353 -8.431 1.00 3.42 C ATOM 655 OD1 ASN A 48 4.288 20.375 -9.176 1.00 3.86 O ATOM 656 ND2 ASN A 48 4.116 21.245 -7.114 1.00 3.75 N ATOM 0 H ASN A 48 4.026 24.658 -7.398 1.00 2.53 H new ATOM 0 HA ASN A 48 6.166 22.866 -8.042 1.00 2.96 H new ATOM 0 HB2 ASN A 48 3.326 23.275 -8.717 1.00 3.12 H new ATOM 0 HB3 ASN A 48 4.285 22.720 -10.075 1.00 3.12 H new ATOM 0 HD21 ASN A 48 4.089 20.323 -6.678 1.00 3.75 H new ATOM 0 HD22 ASN A 48 4.063 22.084 -6.536 1.00 3.75 H new ATOM 663 N TYR A 49 5.674 25.573 -9.815 1.00 3.15 N ATOM 664 CA TYR A 49 6.236 26.387 -10.895 1.00 3.51 C ATOM 665 C TYR A 49 7.365 27.282 -10.389 1.00 3.62 C ATOM 666 O TYR A 49 7.638 28.333 -10.970 1.00 4.04 O ATOM 667 CB TYR A 49 5.143 27.241 -11.547 1.00 3.61 C ATOM 668 CG TYR A 49 4.891 26.874 -12.991 1.00 3.97 C ATOM 669 CD1 TYR A 49 5.947 26.736 -13.884 1.00 4.19 C ATOM 670 CD2 TYR A 49 3.602 26.648 -13.460 1.00 4.52 C ATOM 671 CE1 TYR A 49 5.726 26.381 -15.201 1.00 4.70 C ATOM 672 CE2 TYR A 49 3.374 26.296 -14.777 1.00 5.05 C ATOM 673 CZ TYR A 49 4.438 26.163 -15.642 1.00 5.03 C ATOM 674 OH TYR A 49 4.215 25.807 -16.953 1.00 5.68 O ATOM 0 H TYR A 49 4.957 26.037 -9.257 1.00 3.15 H new ATOM 0 HA TYR A 49 6.650 25.707 -11.640 1.00 3.51 H new ATOM 0 HB2 TYR A 49 4.217 27.130 -10.983 1.00 3.61 H new ATOM 0 HB3 TYR A 49 5.427 28.292 -11.489 1.00 3.61 H new ATOM 0 HD1 TYR A 49 6.957 26.909 -13.543 1.00 4.19 H new ATOM 0 HD2 TYR A 49 2.765 26.749 -12.785 1.00 4.52 H new ATOM 0 HE1 TYR A 49 6.558 26.275 -15.881 1.00 4.70 H new ATOM 0 HE2 TYR A 49 2.366 26.126 -15.126 1.00 5.05 H new ATOM 0 HH TYR A 49 3.253 25.690 -17.101 1.00 5.68 H new ATOM 684 N LEU A 50 8.024 26.863 -9.311 1.00 3.50 N ATOM 685 CA LEU A 50 9.124 27.640 -8.744 1.00 3.67 C ATOM 686 C LEU A 50 10.190 26.735 -8.123 1.00 3.63 C ATOM 687 O LEU A 50 10.171 26.477 -6.920 1.00 3.79 O ATOM 688 CB LEU A 50 8.594 28.613 -7.691 1.00 4.02 C ATOM 689 CG LEU A 50 7.890 29.850 -8.253 1.00 4.66 C ATOM 690 CD1 LEU A 50 6.393 29.602 -8.380 1.00 4.84 C ATOM 691 CD2 LEU A 50 8.164 31.062 -7.374 1.00 5.40 C ATOM 0 H LEU A 50 7.818 25.996 -8.815 1.00 3.50 H new ATOM 0 HA LEU A 50 9.587 28.200 -9.557 1.00 3.67 H new ATOM 0 HB2 LEU A 50 7.898 28.080 -7.043 1.00 4.02 H new ATOM 0 HB3 LEU A 50 9.426 28.939 -7.067 1.00 4.02 H new ATOM 0 HG LEU A 50 8.286 30.052 -9.248 1.00 4.66 H new ATOM 0 HD11 LEU A 50 5.909 30.493 -8.781 1.00 4.84 H new ATOM 0 HD12 LEU A 50 6.219 28.761 -9.051 1.00 4.84 H new ATOM 0 HD13 LEU A 50 5.977 29.374 -7.398 1.00 4.84 H new ATOM 0 HD21 LEU A 50 7.656 31.933 -7.787 1.00 5.40 H new ATOM 0 HD22 LEU A 50 7.795 30.871 -6.366 1.00 5.40 H new ATOM 0 HD23 LEU A 50 9.237 31.250 -7.338 1.00 5.40 H new ATOM 703 N PRO A 51 11.139 26.242 -8.939 1.00 3.88 N ATOM 704 CA PRO A 51 12.211 25.371 -8.469 1.00 4.25 C ATOM 705 C PRO A 51 13.434 26.149 -7.990 1.00 4.32 C ATOM 706 O PRO A 51 14.560 25.864 -8.396 1.00 4.70 O ATOM 707 CB PRO A 51 12.546 24.566 -9.719 1.00 4.88 C ATOM 708 CG PRO A 51 12.286 25.503 -10.855 1.00 4.92 C ATOM 709 CD PRO A 51 11.241 26.491 -10.388 1.00 4.30 C ATOM 0 HA PRO A 51 11.914 24.771 -7.609 1.00 4.25 H new ATOM 0 HB2 PRO A 51 13.584 24.234 -9.710 1.00 4.88 H new ATOM 0 HB3 PRO A 51 11.926 23.673 -9.793 1.00 4.88 H new ATOM 0 HG2 PRO A 51 13.201 26.019 -11.145 1.00 4.92 H new ATOM 0 HG3 PRO A 51 11.936 24.958 -11.731 1.00 4.92 H new ATOM 0 HD2 PRO A 51 11.541 27.518 -10.597 1.00 4.30 H new ATOM 0 HD3 PRO A 51 10.287 26.330 -10.889 1.00 4.30 H new ATOM 717 N SER A 52 13.207 27.136 -7.126 1.00 4.18 N ATOM 718 CA SER A 52 14.296 27.955 -6.598 1.00 4.35 C ATOM 719 C SER A 52 15.123 27.179 -5.571 1.00 3.79 C ATOM 720 O SER A 52 14.657 26.191 -5.004 1.00 3.48 O ATOM 721 CB SER A 52 13.742 29.231 -5.962 1.00 4.83 C ATOM 722 OG SER A 52 12.711 28.937 -5.035 1.00 5.64 O ATOM 0 H SER A 52 12.282 27.388 -6.777 1.00 4.18 H new ATOM 0 HA SER A 52 14.946 28.223 -7.431 1.00 4.35 H new ATOM 0 HB2 SER A 52 14.546 29.767 -5.458 1.00 4.83 H new ATOM 0 HB3 SER A 52 13.358 29.891 -6.740 1.00 4.83 H new ATOM 0 HG SER A 52 11.925 29.488 -5.234 1.00 5.64 H new ATOM 728 N PRO A 53 16.371 27.619 -5.324 1.00 3.98 N ATOM 729 CA PRO A 53 17.267 26.964 -4.365 1.00 3.75 C ATOM 730 C PRO A 53 16.928 27.309 -2.913 1.00 2.89 C ATOM 731 O PRO A 53 16.865 26.429 -2.053 1.00 2.99 O ATOM 732 CB PRO A 53 18.640 27.516 -4.748 1.00 4.57 C ATOM 733 CG PRO A 53 18.363 28.867 -5.314 1.00 5.04 C ATOM 734 CD PRO A 53 17.006 28.789 -5.964 1.00 4.80 C ATOM 0 HA PRO A 53 17.198 25.877 -4.412 1.00 3.75 H new ATOM 0 HB2 PRO A 53 19.297 27.578 -3.881 1.00 4.57 H new ATOM 0 HB3 PRO A 53 19.134 26.875 -5.478 1.00 4.57 H new ATOM 0 HG2 PRO A 53 18.375 29.625 -4.531 1.00 5.04 H new ATOM 0 HG3 PRO A 53 19.126 29.147 -6.041 1.00 5.04 H new ATOM 0 HD2 PRO A 53 16.429 29.698 -5.795 1.00 4.80 H new ATOM 0 HD3 PRO A 53 17.087 28.659 -7.043 1.00 4.80 H new ATOM 742 N CYS A 54 16.705 28.596 -2.654 1.00 2.53 N ATOM 743 CA CYS A 54 16.361 29.086 -1.318 1.00 2.00 C ATOM 744 C CYS A 54 17.555 29.063 -0.370 1.00 2.22 C ATOM 745 O CYS A 54 17.754 28.097 0.363 1.00 2.72 O ATOM 746 CB CYS A 54 15.195 28.290 -0.713 1.00 2.36 C ATOM 747 SG CYS A 54 13.778 29.328 -0.202 1.00 2.74 S ATOM 0 H CYS A 54 16.757 29.328 -3.362 1.00 2.53 H new ATOM 0 HA CYS A 54 16.051 30.124 -1.441 1.00 2.00 H new ATOM 0 HB2 CYS A 54 14.851 27.556 -1.442 1.00 2.36 H new ATOM 0 HB3 CYS A 54 15.557 27.734 0.152 1.00 2.36 H new ATOM 752 N GLN A 55 18.329 30.149 -0.373 1.00 2.24 N ATOM 753 CA GLN A 55 19.492 30.273 0.505 1.00 2.74 C ATOM 754 C GLN A 55 20.376 29.023 0.478 1.00 2.26 C ATOM 755 O GLN A 55 21.325 28.943 -0.302 1.00 2.47 O ATOM 756 CB GLN A 55 19.032 30.590 1.938 1.00 3.51 C ATOM 757 CG GLN A 55 19.882 31.639 2.638 1.00 4.44 C ATOM 758 CD GLN A 55 20.674 31.070 3.800 1.00 5.23 C ATOM 759 OE1 GLN A 55 21.838 30.704 3.651 1.00 5.71 O ATOM 760 NE2 GLN A 55 20.042 30.995 4.967 1.00 5.75 N ATOM 0 H GLN A 55 18.171 30.957 -0.975 1.00 2.24 H new ATOM 0 HA GLN A 55 20.104 31.095 0.134 1.00 2.74 H new ATOM 0 HB2 GLN A 55 17.998 30.933 1.910 1.00 3.51 H new ATOM 0 HB3 GLN A 55 19.047 29.672 2.526 1.00 3.51 H new ATOM 0 HG2 GLN A 55 20.569 32.083 1.918 1.00 4.44 H new ATOM 0 HG3 GLN A 55 19.238 32.440 3.000 1.00 4.44 H new ATOM 0 HE21 GLN A 55 19.075 31.311 5.045 1.00 5.75 H new ATOM 0 HE22 GLN A 55 20.524 30.622 5.785 1.00 5.75 H new ATOM 769 N SER A 56 20.066 28.059 1.334 1.00 2.28 N ATOM 770 CA SER A 56 20.833 26.818 1.415 1.00 2.07 C ATOM 771 C SER A 56 19.931 25.628 1.753 1.00 1.82 C ATOM 772 O SER A 56 19.315 25.584 2.819 1.00 2.22 O ATOM 773 CB SER A 56 21.939 26.946 2.464 1.00 2.60 C ATOM 774 OG SER A 56 21.412 27.345 3.717 1.00 3.12 O ATOM 0 H SER A 56 19.284 28.111 1.987 1.00 2.28 H new ATOM 0 HA SER A 56 21.282 26.639 0.438 1.00 2.07 H new ATOM 0 HB2 SER A 56 22.455 25.992 2.571 1.00 2.60 H new ATOM 0 HB3 SER A 56 22.679 27.673 2.129 1.00 2.60 H new ATOM 0 HG SER A 56 20.585 26.851 3.896 1.00 3.12 H new ATOM 780 N GLY A 57 19.850 24.674 0.825 1.00 1.58 N ATOM 781 CA GLY A 57 19.021 23.507 1.013 1.00 1.86 C ATOM 782 C GLY A 57 18.988 22.678 -0.244 1.00 1.68 C ATOM 783 O GLY A 57 17.964 22.109 -0.608 1.00 2.10 O ATOM 0 H GLY A 57 20.353 24.696 -0.062 1.00 1.58 H new ATOM 0 HA2 GLY A 57 19.405 22.910 1.840 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.010 23.811 1.282 1.00 1.86 H new ATOM 787 N GLN A 58 20.136 22.606 -0.895 1.00 1.37 N ATOM 788 CA GLN A 58 20.295 21.848 -2.114 1.00 1.46 C ATOM 789 C GLN A 58 21.361 20.804 -1.896 1.00 1.08 C ATOM 790 O GLN A 58 22.520 20.980 -2.250 1.00 1.00 O ATOM 791 CB GLN A 58 20.659 22.758 -3.286 1.00 1.97 C ATOM 792 CG GLN A 58 20.211 22.220 -4.637 1.00 2.80 C ATOM 793 CD GLN A 58 18.788 22.621 -4.987 1.00 3.61 C ATOM 794 OE1 GLN A 58 18.003 22.990 -4.114 1.00 3.96 O ATOM 795 NE2 GLN A 58 18.453 22.550 -6.270 1.00 4.36 N ATOM 0 H GLN A 58 20.987 23.077 -0.587 1.00 1.37 H new ATOM 0 HA GLN A 58 19.351 21.364 -2.364 1.00 1.46 H new ATOM 0 HB2 GLN A 58 20.209 23.738 -3.127 1.00 1.97 H new ATOM 0 HB3 GLN A 58 21.739 22.902 -3.302 1.00 1.97 H new ATOM 0 HG2 GLN A 58 20.887 22.584 -5.411 1.00 2.80 H new ATOM 0 HG3 GLN A 58 20.287 21.133 -4.633 1.00 2.80 H new ATOM 0 HE21 GLN A 58 19.137 22.238 -6.959 1.00 4.36 H new ATOM 0 HE22 GLN A 58 17.511 22.807 -6.566 1.00 4.36 H new ATOM 804 N LYS A 59 20.931 19.699 -1.366 1.00 1.17 N ATOM 805 CA LYS A 59 21.817 18.583 -1.054 1.00 1.13 C ATOM 806 C LYS A 59 21.106 17.340 -1.511 1.00 0.95 C ATOM 807 O LYS A 59 20.424 16.659 -0.757 1.00 0.88 O ATOM 808 CB LYS A 59 22.039 18.479 0.478 1.00 1.54 C ATOM 809 CG LYS A 59 23.421 18.905 0.948 1.00 1.90 C ATOM 810 CD LYS A 59 23.455 20.387 1.288 1.00 2.17 C ATOM 811 CE LYS A 59 23.708 20.619 2.769 1.00 2.82 C ATOM 812 NZ LYS A 59 25.125 20.352 3.139 1.00 3.55 N ATOM 0 H LYS A 59 19.953 19.531 -1.131 1.00 1.17 H new ATOM 0 HA LYS A 59 22.784 18.716 -1.539 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.293 19.093 0.982 1.00 1.54 H new ATOM 0 HB3 LYS A 59 21.866 17.448 0.788 1.00 1.54 H new ATOM 0 HG2 LYS A 59 23.706 18.322 1.824 1.00 1.90 H new ATOM 0 HG3 LYS A 59 24.154 18.691 0.170 1.00 1.90 H new ATOM 0 HD2 LYS A 59 24.235 20.876 0.705 1.00 2.17 H new ATOM 0 HD3 LYS A 59 22.509 20.847 1.004 1.00 2.17 H new ATOM 0 HE2 LYS A 59 23.454 21.648 3.024 1.00 2.82 H new ATOM 0 HE3 LYS A 59 23.052 19.975 3.355 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.256 20.522 4.157 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 25.361 19.363 2.920 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 25.750 20.984 2.599 1.00 3.55 H new ATOM 826 N PRO A 60 21.238 17.080 -2.834 1.00 1.06 N ATOM 827 CA PRO A 60 20.596 15.953 -3.492 1.00 1.15 C ATOM 828 C PRO A 60 21.214 14.610 -3.151 1.00 1.10 C ATOM 829 O PRO A 60 21.896 13.986 -3.963 1.00 1.23 O ATOM 830 CB PRO A 60 20.758 16.251 -4.971 1.00 1.48 C ATOM 831 CG PRO A 60 21.987 17.086 -5.056 1.00 1.54 C ATOM 832 CD PRO A 60 22.001 17.908 -3.798 1.00 1.30 C ATOM 0 HA PRO A 60 19.559 15.860 -3.169 1.00 1.15 H new ATOM 0 HB2 PRO A 60 20.862 15.334 -5.551 1.00 1.48 H new ATOM 0 HB3 PRO A 60 19.891 16.781 -5.365 1.00 1.48 H new ATOM 0 HG2 PRO A 60 22.880 16.465 -5.129 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.969 17.723 -5.941 1.00 1.54 H new ATOM 0 HD2 PRO A 60 23.018 18.093 -3.451 1.00 1.30 H new ATOM 0 HD3 PRO A 60 21.533 18.881 -3.949 1.00 1.30 H new ATOM 840 N CYS A 61 20.940 14.179 -1.944 1.00 1.08 N ATOM 841 CA CYS A 61 21.405 12.898 -1.439 1.00 1.13 C ATOM 842 C CYS A 61 20.279 11.879 -1.554 1.00 1.36 C ATOM 843 O CYS A 61 19.114 12.264 -1.717 1.00 1.54 O ATOM 844 CB CYS A 61 21.833 13.035 0.033 1.00 1.30 C ATOM 845 SG CYS A 61 20.454 12.953 1.239 1.00 1.59 S ATOM 0 H CYS A 61 20.383 14.708 -1.273 1.00 1.08 H new ATOM 0 HA CYS A 61 22.263 12.567 -2.025 1.00 1.13 H new ATOM 0 HB2 CYS A 61 22.548 12.246 0.265 1.00 1.30 H new ATOM 0 HB3 CYS A 61 22.353 13.984 0.160 1.00 1.30 H new ATOM 850 N GLY A 62 20.604 10.588 -1.578 1.00 1.60 N ATOM 851 CA GLY A 62 19.574 9.591 -1.775 1.00 1.92 C ATOM 852 C GLY A 62 19.150 9.490 -3.222 1.00 2.10 C ATOM 853 O GLY A 62 19.855 9.958 -4.116 1.00 2.43 O ATOM 0 H GLY A 62 21.549 10.222 -1.466 1.00 1.60 H new ATOM 0 HA2 GLY A 62 19.939 8.621 -1.436 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.708 9.838 -1.160 1.00 1.92 H new ATOM 857 N SER A 63 18.056 8.795 -3.454 1.00 2.43 N ATOM 858 CA SER A 63 17.575 8.526 -4.808 1.00 2.98 C ATOM 859 C SER A 63 16.900 9.734 -5.440 1.00 2.74 C ATOM 860 O SER A 63 15.706 9.731 -5.745 1.00 3.32 O ATOM 861 CB SER A 63 16.609 7.338 -4.792 1.00 3.86 C ATOM 862 OG SER A 63 17.231 6.164 -5.290 1.00 4.11 O ATOM 0 H SER A 63 17.472 8.399 -2.718 1.00 2.43 H new ATOM 0 HA SER A 63 18.447 8.289 -5.418 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.260 7.164 -3.774 1.00 3.86 H new ATOM 0 HB3 SER A 63 15.731 7.571 -5.395 1.00 3.86 H new ATOM 0 HG SER A 63 16.593 5.421 -5.267 1.00 4.11 H new ATOM 868 N GLY A 64 17.725 10.763 -5.671 1.00 2.15 N ATOM 869 CA GLY A 64 17.269 11.980 -6.312 1.00 2.11 C ATOM 870 C GLY A 64 16.656 13.001 -5.371 1.00 1.92 C ATOM 871 O GLY A 64 15.905 13.871 -5.817 1.00 2.21 O ATOM 0 H GLY A 64 18.713 10.766 -5.419 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.112 12.441 -6.827 1.00 2.11 H new ATOM 0 HA3 GLY A 64 16.533 11.720 -7.073 1.00 2.11 H new ATOM 875 N GLY A 65 16.937 12.895 -4.075 1.00 1.62 N ATOM 876 CA GLY A 65 16.360 13.842 -3.148 1.00 1.62 C ATOM 877 C GLY A 65 17.337 14.886 -2.635 1.00 1.43 C ATOM 878 O GLY A 65 18.444 14.548 -2.239 1.00 1.62 O ATOM 0 H GLY A 65 17.541 12.185 -3.660 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.527 14.349 -3.635 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.949 13.297 -2.298 1.00 1.62 H new ATOM 882 N ARG A 66 16.914 16.155 -2.607 1.00 1.17 N ATOM 883 CA ARG A 66 17.751 17.225 -2.074 1.00 1.03 C ATOM 884 C ARG A 66 17.203 17.666 -0.728 1.00 0.94 C ATOM 885 O ARG A 66 16.007 17.526 -0.477 1.00 1.04 O ATOM 886 CB ARG A 66 17.874 18.431 -3.010 1.00 1.10 C ATOM 887 CG ARG A 66 16.617 18.765 -3.798 1.00 1.26 C ATOM 888 CD ARG A 66 16.492 17.919 -5.053 1.00 1.41 C ATOM 889 NE ARG A 66 17.378 18.378 -6.120 1.00 1.78 N ATOM 890 CZ ARG A 66 17.359 17.886 -7.357 1.00 2.30 C ATOM 891 NH1 ARG A 66 16.489 16.939 -7.686 1.00 2.55 N ATOM 892 NH2 ARG A 66 18.206 18.345 -8.266 1.00 3.02 N ATOM 0 H ARG A 66 16.002 16.461 -2.946 1.00 1.17 H new ATOM 0 HA ARG A 66 18.757 16.819 -1.968 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.157 19.303 -2.420 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.686 18.245 -3.713 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.742 18.610 -3.167 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.630 19.820 -4.072 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.722 16.881 -4.813 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.460 17.944 -5.404 1.00 1.41 H new ATOM 0 HE ARG A 66 18.048 19.116 -5.905 1.00 1.78 H new ATOM 0 HH11 ARG A 66 15.832 16.586 -6.990 1.00 2.55 H new ATOM 0 HH12 ARG A 66 16.477 16.564 -8.635 1.00 2.55 H new ATOM 0 HH21 ARG A 66 18.873 19.076 -8.018 1.00 3.02 H new ATOM 0 HH22 ARG A 66 18.191 17.968 -9.214 1.00 3.02 H new ATOM 906 N CYS A 67 18.058 18.193 0.149 1.00 0.87 N ATOM 907 CA CYS A 67 17.631 18.623 1.437 1.00 0.87 C ATOM 908 C CYS A 67 16.470 19.562 1.278 1.00 0.88 C ATOM 909 O CYS A 67 16.630 20.729 0.912 1.00 0.93 O ATOM 910 CB CYS A 67 18.787 19.335 2.142 1.00 0.93 C ATOM 911 SG CYS A 67 18.370 19.998 3.790 1.00 1.52 S ATOM 0 H CYS A 67 19.053 18.324 -0.032 1.00 0.87 H new ATOM 0 HA CYS A 67 17.324 17.765 2.035 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.619 18.638 2.244 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.132 20.154 1.511 1.00 0.93 H new ATOM 916 N ALA A 68 15.306 19.068 1.605 1.00 0.91 N ATOM 917 CA ALA A 68 14.144 19.886 1.537 1.00 0.98 C ATOM 918 C ALA A 68 14.015 20.562 2.866 1.00 0.98 C ATOM 919 O ALA A 68 13.558 21.703 2.952 1.00 1.07 O ATOM 920 CB ALA A 68 12.902 19.082 1.178 1.00 0.98 C ATOM 0 H ALA A 68 15.146 18.110 1.918 1.00 0.91 H new ATOM 0 HA ALA A 68 14.241 20.626 0.742 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.038 19.746 1.137 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.043 18.609 0.206 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.734 18.315 1.934 1.00 0.98 H new ATOM 926 N ALA A 69 14.364 19.837 3.934 1.00 0.92 N ATOM 927 CA ALA A 69 14.223 20.377 5.279 1.00 0.96 C ATOM 928 C ALA A 69 15.012 19.520 6.237 1.00 0.92 C ATOM 929 O ALA A 69 15.422 18.426 5.880 1.00 0.87 O ATOM 930 CB ALA A 69 12.779 20.411 5.717 1.00 1.00 C ATOM 0 H ALA A 69 14.740 18.890 3.890 1.00 0.92 H new ATOM 0 HA ALA A 69 14.599 21.400 5.277 1.00 0.96 H new ATOM 0 HB1 ALA A 69 12.714 20.820 6.725 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.206 21.038 5.034 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.372 19.400 5.709 1.00 1.00 H new ATOM 936 N ALA A 70 15.249 20.020 7.434 1.00 0.98 N ATOM 937 CA ALA A 70 16.012 19.272 8.434 1.00 1.00 C ATOM 938 C ALA A 70 15.809 17.770 8.279 1.00 1.04 C ATOM 939 O ALA A 70 14.743 17.235 8.583 1.00 1.24 O ATOM 940 CB ALA A 70 15.632 19.700 9.841 1.00 1.15 C ATOM 0 H ALA A 70 14.929 20.937 7.744 1.00 0.98 H new ATOM 0 HA ALA A 70 17.066 19.497 8.269 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.214 19.129 10.565 1.00 1.15 H new ATOM 0 HB2 ALA A 70 15.839 20.763 9.967 1.00 1.15 H new ATOM 0 HB3 ALA A 70 14.570 19.516 10.003 1.00 1.15 H new ATOM 946 N GLY A 71 16.852 17.105 7.809 1.00 1.15 N ATOM 947 CA GLY A 71 16.821 15.665 7.623 1.00 1.27 C ATOM 948 C GLY A 71 16.034 15.203 6.412 1.00 1.21 C ATOM 949 O GLY A 71 15.985 14.010 6.131 1.00 1.28 O ATOM 0 H GLY A 71 17.735 17.544 7.548 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.845 15.301 7.536 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.394 15.206 8.515 1.00 1.27 H new ATOM 953 N ILE A 72 15.406 16.126 5.696 1.00 1.12 N ATOM 954 CA ILE A 72 14.624 15.753 4.523 1.00 1.08 C ATOM 955 C ILE A 72 15.442 15.931 3.267 1.00 1.03 C ATOM 956 O ILE A 72 15.881 17.028 2.944 1.00 1.36 O ATOM 957 CB ILE A 72 13.320 16.588 4.375 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.699 16.875 5.737 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.330 15.857 3.490 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.824 15.703 6.655 1.00 0.92 C ATOM 0 H ILE A 72 15.421 17.125 5.902 1.00 1.12 H new ATOM 0 HA ILE A 72 14.349 14.708 4.664 1.00 1.08 H new ATOM 0 HB ILE A 72 13.575 17.541 3.911 1.00 1.52 H new ATOM 0 HG12 ILE A 72 13.185 17.742 6.184 1.00 1.09 H new ATOM 0 HG13 ILE A 72 11.647 17.129 5.612 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.421 16.451 3.393 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.769 15.702 2.504 1.00 2.27 H new ATOM 0 HG23 ILE A 72 12.088 14.892 3.935 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.370 15.944 7.616 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.315 14.843 6.219 1.00 0.92 H new ATOM 0 HD13 ILE A 72 13.878 15.465 6.800 1.00 0.92 H new ATOM 972 N CYS A 73 15.634 14.828 2.574 1.00 0.82 N ATOM 973 CA CYS A 73 16.387 14.798 1.344 1.00 1.07 C ATOM 974 C CYS A 73 15.472 14.329 0.236 1.00 1.08 C ATOM 975 O CYS A 73 15.261 13.123 0.094 1.00 1.21 O ATOM 976 CB CYS A 73 17.547 13.823 1.499 1.00 1.19 C ATOM 977 SG CYS A 73 19.025 14.205 0.505 1.00 1.98 S ATOM 0 H CYS A 73 15.266 13.919 2.855 1.00 0.82 H new ATOM 0 HA CYS A 73 16.777 15.788 1.108 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.835 13.791 2.550 1.00 1.19 H new ATOM 0 HB3 CYS A 73 17.199 12.825 1.233 1.00 1.19 H new ATOM 982 N CYS A 74 14.869 15.248 -0.517 1.00 0.98 N ATOM 983 CA CYS A 74 13.937 14.793 -1.527 1.00 0.99 C ATOM 984 C CYS A 74 13.691 15.724 -2.708 1.00 1.15 C ATOM 985 O CYS A 74 14.331 16.764 -2.879 1.00 1.33 O ATOM 986 CB CYS A 74 12.629 14.462 -0.847 1.00 1.13 C ATOM 987 SG CYS A 74 11.837 15.832 0.054 1.00 1.32 S ATOM 0 H CYS A 74 15.002 16.257 -0.450 1.00 0.98 H new ATOM 0 HA CYS A 74 14.409 13.924 -1.986 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.932 14.096 -1.601 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.801 13.644 -0.148 1.00 1.13 H new ATOM 992 N SER A 75 12.733 15.282 -3.524 1.00 1.14 N ATOM 993 CA SER A 75 12.311 15.960 -4.741 1.00 1.36 C ATOM 994 C SER A 75 10.792 16.125 -4.725 1.00 1.28 C ATOM 995 O SER A 75 10.141 15.752 -3.750 1.00 1.10 O ATOM 996 CB SER A 75 12.751 15.141 -5.958 1.00 1.46 C ATOM 997 OG SER A 75 13.672 15.863 -6.759 1.00 1.99 O ATOM 0 H SER A 75 12.218 14.419 -3.348 1.00 1.14 H new ATOM 0 HA SER A 75 12.772 16.946 -4.798 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.208 14.209 -5.626 1.00 1.46 H new ATOM 0 HB3 SER A 75 11.878 14.874 -6.554 1.00 1.46 H new ATOM 0 HG SER A 75 13.937 15.315 -7.527 1.00 1.99 H new ATOM 1003 N PRO A 76 10.194 16.701 -5.783 1.00 1.46 N ATOM 1004 CA PRO A 76 8.743 16.912 -5.833 1.00 1.42 C ATOM 1005 C PRO A 76 7.947 15.621 -6.058 1.00 1.18 C ATOM 1006 O PRO A 76 6.865 15.647 -6.644 1.00 1.22 O ATOM 1007 CB PRO A 76 8.568 17.862 -7.017 1.00 1.74 C ATOM 1008 CG PRO A 76 9.731 17.581 -7.903 1.00 1.86 C ATOM 1009 CD PRO A 76 10.871 17.215 -6.992 1.00 1.77 C ATOM 0 HA PRO A 76 8.364 17.300 -4.887 1.00 1.42 H new ATOM 0 HB2 PRO A 76 7.625 17.682 -7.533 1.00 1.74 H new ATOM 0 HB3 PRO A 76 8.560 18.902 -6.692 1.00 1.74 H new ATOM 0 HG2 PRO A 76 9.507 16.768 -8.593 1.00 1.86 H new ATOM 0 HG3 PRO A 76 9.980 18.453 -8.508 1.00 1.86 H new ATOM 0 HD2 PRO A 76 11.518 16.461 -7.441 1.00 1.77 H new ATOM 0 HD3 PRO A 76 11.497 18.078 -6.765 1.00 1.77 H new ATOM 1017 N ASP A 77 8.478 14.497 -5.567 1.00 0.99 N ATOM 1018 CA ASP A 77 7.804 13.202 -5.684 1.00 0.91 C ATOM 1019 C ASP A 77 7.668 12.568 -4.296 1.00 0.82 C ATOM 1020 O ASP A 77 6.559 12.332 -3.810 1.00 0.90 O ATOM 1021 CB ASP A 77 8.592 12.275 -6.616 1.00 1.16 C ATOM 1022 CG ASP A 77 8.383 12.614 -8.078 1.00 1.92 C ATOM 1023 OD1 ASP A 77 7.289 12.322 -8.605 1.00 2.50 O ATOM 1024 OD2 ASP A 77 9.313 13.172 -8.697 1.00 2.65 O ATOM 0 H ASP A 77 9.375 14.459 -5.083 1.00 0.99 H new ATOM 0 HA ASP A 77 6.811 13.353 -6.108 1.00 0.91 H new ATOM 0 HB2 ASP A 77 9.654 12.342 -6.378 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.290 11.243 -6.438 1.00 1.16 H new ATOM 1029 N GLY A 78 8.811 12.324 -3.659 1.00 0.88 N ATOM 1030 CA GLY A 78 8.818 11.760 -2.328 1.00 0.87 C ATOM 1031 C GLY A 78 9.858 12.436 -1.460 1.00 0.86 C ATOM 1032 O GLY A 78 10.394 13.471 -1.852 1.00 0.99 O ATOM 0 H GLY A 78 9.736 12.510 -4.048 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.833 11.872 -1.876 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.023 10.691 -2.383 1.00 0.87 H new ATOM 1036 N CYS A 79 10.162 11.856 -0.295 1.00 0.79 N ATOM 1037 CA CYS A 79 11.164 12.437 0.597 1.00 0.80 C ATOM 1038 C CYS A 79 11.938 11.360 1.356 1.00 0.78 C ATOM 1039 O CYS A 79 11.500 10.210 1.431 1.00 0.89 O ATOM 1040 CB CYS A 79 10.538 13.462 1.544 1.00 0.94 C ATOM 1041 SG CYS A 79 10.084 15.040 0.733 1.00 1.34 S ATOM 0 H CYS A 79 9.734 10.996 0.047 1.00 0.79 H new ATOM 0 HA CYS A 79 11.886 12.967 -0.024 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.647 13.027 1.996 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.238 13.669 2.354 1.00 0.94 H new ATOM 1046 N HIS A 80 13.118 11.706 1.898 1.00 0.71 N ATOM 1047 CA HIS A 80 13.917 10.708 2.595 1.00 0.76 C ATOM 1048 C HIS A 80 14.797 11.346 3.658 1.00 0.70 C ATOM 1049 O HIS A 80 15.221 12.493 3.527 1.00 0.67 O ATOM 1050 CB HIS A 80 14.775 9.950 1.569 1.00 0.87 C ATOM 1051 CG HIS A 80 15.923 9.188 2.158 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.756 8.103 2.990 1.00 1.64 N ATOM 1053 CD2 HIS A 80 17.260 9.362 2.029 1.00 1.76 C ATOM 1054 CE1 HIS A 80 16.941 7.642 3.349 1.00 2.09 C ATOM 1055 NE2 HIS A 80 17.869 8.387 2.780 1.00 2.17 N ATOM 0 H HIS A 80 13.523 12.642 1.865 1.00 0.71 H new ATOM 0 HA HIS A 80 13.249 10.013 3.103 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.136 9.255 1.023 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.164 10.663 0.842 1.00 0.87 H new ATOM 0 HD2 HIS A 80 17.754 10.124 1.445 1.00 1.76 H new ATOM 0 HE1 HIS A 80 17.120 6.798 3.999 1.00 2.09 H new ATOM 0 HE2 HIS A 80 18.876 8.259 2.881 1.00 2.17 H new ATOM 1064 N GLU A 81 15.071 10.588 4.710 1.00 0.75 N ATOM 1065 CA GLU A 81 15.907 11.075 5.789 1.00 0.77 C ATOM 1066 C GLU A 81 17.292 11.419 5.272 1.00 0.72 C ATOM 1067 O GLU A 81 17.835 10.726 4.413 1.00 0.92 O ATOM 1068 CB GLU A 81 16.022 10.019 6.890 1.00 0.94 C ATOM 1069 CG GLU A 81 15.094 10.256 8.068 1.00 1.70 C ATOM 1070 CD GLU A 81 13.793 9.490 7.941 1.00 2.35 C ATOM 1071 OE1 GLU A 81 13.739 8.329 8.401 1.00 2.71 O ATOM 1072 OE2 GLU A 81 12.829 10.050 7.380 1.00 3.05 O ATOM 0 H GLU A 81 14.726 9.636 4.836 1.00 0.75 H new ATOM 0 HA GLU A 81 15.446 11.973 6.200 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.809 9.039 6.464 1.00 0.94 H new ATOM 0 HB3 GLU A 81 17.051 9.993 7.250 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.598 9.962 8.989 1.00 1.70 H new ATOM 0 HG3 GLU A 81 14.879 11.321 8.149 1.00 1.70 H new ATOM 1079 N ASP A 82 17.849 12.506 5.784 1.00 0.76 N ATOM 1080 CA ASP A 82 19.172 12.947 5.346 1.00 0.77 C ATOM 1081 C ASP A 82 20.051 13.397 6.533 1.00 0.96 C ATOM 1082 O ASP A 82 19.568 14.020 7.474 1.00 1.21 O ATOM 1083 CB ASP A 82 18.990 14.075 4.327 1.00 0.86 C ATOM 1084 CG ASP A 82 19.103 15.457 4.934 1.00 1.34 C ATOM 1085 OD1 ASP A 82 20.217 15.833 5.347 1.00 1.82 O ATOM 1086 OD2 ASP A 82 18.074 16.159 4.991 1.00 2.02 O ATOM 0 H ASP A 82 17.415 13.095 6.495 1.00 0.76 H new ATOM 0 HA ASP A 82 19.695 12.111 4.882 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.738 13.969 3.541 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.014 13.973 3.853 1.00 0.86 H new ATOM 1091 N PRO A 83 21.357 13.020 6.532 1.00 1.15 N ATOM 1092 CA PRO A 83 22.287 13.330 7.626 1.00 1.42 C ATOM 1093 C PRO A 83 22.943 14.714 7.556 1.00 1.28 C ATOM 1094 O PRO A 83 23.240 15.299 8.595 1.00 1.40 O ATOM 1095 CB PRO A 83 23.357 12.235 7.513 1.00 1.81 C ATOM 1096 CG PRO A 83 22.962 11.383 6.345 1.00 1.93 C ATOM 1097 CD PRO A 83 22.021 12.208 5.515 1.00 1.42 C ATOM 0 HA PRO A 83 21.748 13.354 8.573 1.00 1.42 H new ATOM 0 HB2 PRO A 83 24.345 12.670 7.361 1.00 1.81 H new ATOM 0 HB3 PRO A 83 23.407 11.643 8.427 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.837 11.091 5.764 1.00 1.93 H new ATOM 0 HG3 PRO A 83 22.480 10.464 6.680 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.550 12.820 4.785 1.00 1.42 H new ATOM 0 HD3 PRO A 83 21.315 11.589 4.961 1.00 1.42 H new ATOM 1105 N ALA A 84 23.184 15.247 6.358 1.00 1.13 N ATOM 1106 CA ALA A 84 23.803 16.573 6.255 1.00 1.17 C ATOM 1107 C ALA A 84 22.902 17.574 6.951 1.00 1.20 C ATOM 1108 O ALA A 84 23.332 18.343 7.812 1.00 1.53 O ATOM 1109 CB ALA A 84 24.042 16.962 4.806 1.00 1.21 C ATOM 0 H ALA A 84 22.968 14.798 5.468 1.00 1.13 H new ATOM 0 HA ALA A 84 24.780 16.559 6.738 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.502 17.950 4.765 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.705 16.234 4.338 1.00 1.21 H new ATOM 0 HB3 ALA A 84 23.091 16.982 4.273 1.00 1.21 H new ATOM 1115 N CYS A 85 21.628 17.480 6.620 1.00 1.02 N ATOM 1116 CA CYS A 85 20.599 18.281 7.252 1.00 1.19 C ATOM 1117 C CYS A 85 20.007 17.408 8.330 1.00 1.46 C ATOM 1118 O CYS A 85 18.902 16.923 8.189 1.00 1.88 O ATOM 1119 CB CYS A 85 19.510 18.674 6.248 1.00 1.15 C ATOM 1120 SG CYS A 85 20.062 19.749 4.887 1.00 1.42 S ATOM 0 H CYS A 85 21.278 16.844 5.903 1.00 1.02 H new ATOM 0 HA CYS A 85 21.015 19.207 7.650 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.086 17.765 5.822 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.708 19.179 6.786 1.00 1.15 H new ATOM 1125 N ASP A 86 20.747 17.170 9.403 1.00 1.53 N ATOM 1126 CA ASP A 86 20.227 16.290 10.441 1.00 1.90 C ATOM 1127 C ASP A 86 19.545 17.084 11.511 1.00 1.82 C ATOM 1128 O ASP A 86 18.379 16.858 11.831 1.00 2.29 O ATOM 1129 CB ASP A 86 21.334 15.441 11.068 1.00 2.43 C ATOM 1130 CG ASP A 86 20.904 14.006 11.287 1.00 3.07 C ATOM 1131 OD1 ASP A 86 19.909 13.787 12.011 1.00 3.60 O ATOM 1132 OD2 ASP A 86 21.562 13.099 10.737 1.00 3.47 O ATOM 0 H ASP A 86 21.675 17.557 9.576 1.00 1.53 H new ATOM 0 HA ASP A 86 19.507 15.623 9.966 1.00 1.90 H new ATOM 0 HB2 ASP A 86 22.213 15.460 10.423 1.00 2.43 H new ATOM 0 HB3 ASP A 86 21.629 15.879 12.022 1.00 2.43 H new ATOM 1137 N PRO A 87 20.275 18.013 12.103 1.00 1.72 N ATOM 1138 CA PRO A 87 19.776 18.826 13.158 1.00 2.05 C ATOM 1139 C PRO A 87 19.434 20.230 12.715 1.00 2.20 C ATOM 1140 O PRO A 87 19.856 20.717 11.666 1.00 2.35 O ATOM 1141 CB PRO A 87 20.985 18.858 14.103 1.00 2.46 C ATOM 1142 CG PRO A 87 22.192 18.644 13.222 1.00 2.56 C ATOM 1143 CD PRO A 87 21.676 18.349 11.835 1.00 1.96 C ATOM 0 HA PRO A 87 18.849 18.442 13.584 1.00 2.05 H new ATOM 0 HB2 PRO A 87 21.047 19.811 14.629 1.00 2.46 H new ATOM 0 HB3 PRO A 87 20.910 18.079 14.862 1.00 2.46 H new ATOM 0 HG2 PRO A 87 22.828 19.529 13.217 1.00 2.56 H new ATOM 0 HG3 PRO A 87 22.799 17.817 13.592 1.00 2.56 H new ATOM 0 HD2 PRO A 87 21.771 19.209 11.172 1.00 1.96 H new ATOM 0 HD3 PRO A 87 22.212 17.524 11.366 1.00 1.96 H new ATOM 1151 N GLU A 88 18.757 20.880 13.615 1.00 2.56 N ATOM 1152 CA GLU A 88 18.362 22.252 13.607 1.00 3.21 C ATOM 1153 C GLU A 88 19.593 23.108 13.873 1.00 3.51 C ATOM 1154 O GLU A 88 19.663 23.969 14.750 1.00 4.11 O ATOM 1155 CB GLU A 88 17.327 22.503 14.708 1.00 3.64 C ATOM 1156 CG GLU A 88 17.904 22.348 16.112 1.00 3.54 C ATOM 1157 CD GLU A 88 16.854 22.008 17.151 1.00 4.21 C ATOM 1158 OE1 GLU A 88 16.181 22.937 17.642 1.00 4.72 O ATOM 1159 OE2 GLU A 88 16.713 20.811 17.480 1.00 4.58 O ATOM 0 H GLU A 88 18.436 20.409 14.461 1.00 2.56 H new ATOM 0 HA GLU A 88 17.923 22.504 12.642 1.00 3.21 H new ATOM 0 HB2 GLU A 88 16.922 23.509 14.596 1.00 3.64 H new ATOM 0 HB3 GLU A 88 16.496 21.809 14.584 1.00 3.64 H new ATOM 0 HG2 GLU A 88 18.664 21.566 16.102 1.00 3.54 H new ATOM 0 HG3 GLU A 88 18.403 23.274 16.398 1.00 3.54 H new ATOM 1166 N ALA A 89 20.489 22.896 12.889 1.00 3.29 N ATOM 1167 CA ALA A 89 21.712 23.630 12.674 1.00 3.88 C ATOM 1168 C ALA A 89 21.382 24.795 11.711 1.00 4.78 C ATOM 1169 O ALA A 89 22.228 25.239 10.934 1.00 5.29 O ATOM 1170 CB ALA A 89 22.763 22.693 12.057 1.00 3.48 C ATOM 0 H ALA A 89 20.353 22.162 12.194 1.00 3.29 H new ATOM 0 HA ALA A 89 22.115 24.020 13.608 1.00 3.88 H new ATOM 0 HB1 ALA A 89 23.689 23.243 11.893 1.00 3.48 H new ATOM 0 HB2 ALA A 89 22.951 21.860 12.735 1.00 3.48 H new ATOM 0 HB3 ALA A 89 22.395 22.310 11.105 1.00 3.48 H new ATOM 1176 N ALA A 90 20.122 25.261 11.773 1.00 5.12 N ATOM 1177 CA ALA A 90 19.603 26.339 10.945 1.00 6.15 C ATOM 1178 C ALA A 90 19.982 27.742 11.443 1.00 6.94 C ATOM 1179 O ALA A 90 20.396 27.948 12.582 1.00 6.98 O ATOM 1180 CB ALA A 90 18.088 26.220 10.843 1.00 6.47 C ATOM 0 H ALA A 90 19.429 24.883 12.418 1.00 5.12 H new ATOM 0 HA ALA A 90 20.067 26.227 9.965 1.00 6.15 H new ATOM 0 HB1 ALA A 90 17.701 27.028 10.223 1.00 6.47 H new ATOM 0 HB2 ALA A 90 17.828 25.261 10.394 1.00 6.47 H new ATOM 0 HB3 ALA A 90 17.650 26.285 11.839 1.00 6.47 H new ATOM 1186 N PHE A 91 19.817 28.693 10.510 1.00 7.67 N ATOM 1187 CA PHE A 91 20.121 30.102 10.727 1.00 8.56 C ATOM 1188 C PHE A 91 18.985 30.809 11.457 1.00 9.41 C ATOM 1189 O PHE A 91 17.921 31.057 10.890 1.00 9.96 O ATOM 1190 CB PHE A 91 20.398 30.791 9.375 1.00 9.02 C ATOM 1191 CG PHE A 91 19.184 30.985 8.490 1.00 9.29 C ATOM 1192 CD1 PHE A 91 18.591 29.910 7.838 1.00 9.45 C ATOM 1193 CD2 PHE A 91 18.646 32.249 8.301 1.00 9.65 C ATOM 1194 CE1 PHE A 91 17.490 30.096 7.020 1.00 9.92 C ATOM 1195 CE2 PHE A 91 17.546 32.439 7.486 1.00 10.10 C ATOM 1196 CZ PHE A 91 16.968 31.362 6.843 1.00 10.21 C ATOM 0 H PHE A 91 19.464 28.494 9.574 1.00 7.67 H new ATOM 0 HA PHE A 91 21.010 30.166 11.354 1.00 8.56 H new ATOM 0 HB2 PHE A 91 20.847 31.765 9.567 1.00 9.02 H new ATOM 0 HB3 PHE A 91 21.135 30.202 8.829 1.00 9.02 H new ATOM 0 HD1 PHE A 91 18.994 28.917 7.971 1.00 9.45 H new ATOM 0 HD2 PHE A 91 19.093 33.097 8.798 1.00 9.65 H new ATOM 0 HE1 PHE A 91 17.039 29.251 6.520 1.00 9.92 H new ATOM 0 HE2 PHE A 91 17.138 33.430 7.352 1.00 10.10 H new ATOM 0 HZ PHE A 91 16.110 31.510 6.204 1.00 10.21 H new ATOM 1206 N SER A 92 19.229 31.133 12.722 1.00 9.61 N ATOM 1207 CA SER A 92 18.243 31.815 13.549 1.00 10.49 C ATOM 1208 C SER A 92 18.327 33.325 13.360 1.00 11.25 C ATOM 1209 O SER A 92 17.267 33.958 13.169 1.00 11.48 O ATOM 1210 CB SER A 92 18.462 31.458 15.020 1.00 10.50 C ATOM 1211 OG SER A 92 17.665 30.349 15.405 1.00 10.56 O ATOM 1212 OXT SER A 92 19.454 33.863 13.405 1.00 11.77 O ATOM 0 H SER A 92 20.108 30.932 13.199 1.00 9.61 H new ATOM 0 HA SER A 92 17.250 31.487 13.243 1.00 10.49 H new ATOM 0 HB2 SER A 92 19.514 31.228 15.188 1.00 10.50 H new ATOM 0 HB3 SER A 92 18.220 32.317 15.645 1.00 10.50 H new ATOM 0 HG SER A 92 17.827 30.142 16.349 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -5.828 -3.991 21.434 1.00 10.07 N ATOM 1220 CA ALA B 101 -4.496 -3.722 20.838 1.00 9.47 C ATOM 1221 C ALA B 101 -4.341 -4.440 19.502 1.00 8.40 C ATOM 1222 O ALA B 101 -3.862 -3.862 18.526 1.00 8.14 O ATOM 1223 CB ALA B 101 -3.394 -4.146 21.797 1.00 9.68 C ATOM 0 HA ALA B 101 -4.414 -2.650 20.659 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -2.422 -3.943 21.347 1.00 9.68 H new ATOM 0 HB2 ALA B 101 -3.487 -3.587 22.728 1.00 9.68 H new ATOM 0 HB3 ALA B 101 -3.482 -5.212 22.004 1.00 9.68 H new ATOM 1231 N VAL B 102 -4.717 -5.717 19.477 1.00 8.03 N ATOM 1232 CA VAL B 102 -4.605 -6.554 18.291 1.00 7.24 C ATOM 1233 C VAL B 102 -4.978 -5.872 16.972 1.00 6.03 C ATOM 1234 O VAL B 102 -5.801 -4.953 16.918 1.00 5.94 O ATOM 1235 CB VAL B 102 -5.503 -7.791 18.449 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -6.972 -7.384 18.413 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -5.200 -8.821 17.371 1.00 8.41 C ATOM 0 H VAL B 102 -5.110 -6.200 20.285 1.00 8.03 H new ATOM 0 HA VAL B 102 -3.547 -6.806 18.226 1.00 7.24 H new ATOM 0 HB VAL B 102 -5.295 -8.248 19.416 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -7.598 -8.269 18.526 1.00 7.91 H new ATOM 0 HG12 VAL B 102 -7.177 -6.689 19.227 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -7.193 -6.903 17.460 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -5.848 -9.688 17.503 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -5.377 -8.382 16.389 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -4.158 -9.132 17.447 1.00 8.41 H new ATOM 1247 N LEU B 103 -4.382 -6.414 15.907 1.00 5.40 N ATOM 1248 CA LEU B 103 -4.626 -5.985 14.523 1.00 4.42 C ATOM 1249 C LEU B 103 -5.476 -7.059 13.841 1.00 4.14 C ATOM 1250 O LEU B 103 -5.274 -8.255 14.049 1.00 4.51 O ATOM 1251 CB LEU B 103 -3.323 -5.787 13.726 1.00 4.44 C ATOM 1252 CG LEU B 103 -1.994 -5.792 14.506 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -2.043 -4.856 15.703 1.00 5.09 C ATOM 1254 CD2 LEU B 103 -1.615 -7.203 14.937 1.00 5.87 C ATOM 0 H LEU B 103 -3.706 -7.174 15.980 1.00 5.40 H new ATOM 0 HA LEU B 103 -5.134 -5.021 14.547 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -3.270 -6.571 12.970 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -3.396 -4.838 13.196 1.00 4.44 H new ATOM 0 HG LEU B 103 -1.221 -5.424 13.831 1.00 5.04 H new ATOM 0 HD11 LEU B 103 -1.088 -4.887 16.228 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -2.237 -3.839 15.362 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -2.839 -5.170 16.378 1.00 5.09 H new ATOM 0 HD21 LEU B 103 -0.673 -7.175 15.485 1.00 5.87 H new ATOM 0 HD22 LEU B 103 -2.397 -7.610 15.579 1.00 5.87 H new ATOM 0 HD23 LEU B 103 -1.504 -7.835 14.056 1.00 5.87 H new ATOM 1266 N ASP B 104 -6.354 -6.623 12.985 1.00 4.04 N ATOM 1267 CA ASP B 104 -7.197 -7.445 12.180 1.00 4.36 C ATOM 1268 C ASP B 104 -7.602 -6.562 10.994 1.00 4.07 C ATOM 1269 O ASP B 104 -6.758 -5.880 10.409 1.00 4.12 O ATOM 1270 CB ASP B 104 -8.395 -7.942 13.006 1.00 5.06 C ATOM 1271 CG ASP B 104 -8.633 -9.429 12.837 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -8.025 -10.216 13.593 1.00 6.27 O ATOM 1273 OD2 ASP B 104 -9.425 -9.807 11.948 1.00 6.19 O ATOM 0 H ASP B 104 -6.506 -5.627 12.824 1.00 4.04 H new ATOM 0 HA ASP B 104 -6.704 -8.349 11.822 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -8.224 -7.721 14.060 1.00 5.06 H new ATOM 0 HB3 ASP B 104 -9.290 -7.397 12.708 1.00 5.06 H new ATOM 1278 N LEU B 105 -8.904 -6.516 10.701 1.00 4.35 N ATOM 1279 CA LEU B 105 -9.324 -5.614 9.641 1.00 4.75 C ATOM 1280 C LEU B 105 -10.562 -4.892 10.044 1.00 5.41 C ATOM 1281 O LEU B 105 -11.181 -4.161 9.268 1.00 6.19 O ATOM 1282 CB LEU B 105 -9.522 -6.330 8.315 1.00 5.45 C ATOM 1283 CG LEU B 105 -10.002 -5.433 7.161 1.00 6.23 C ATOM 1284 CD1 LEU B 105 -9.308 -4.072 7.189 1.00 5.95 C ATOM 1285 CD2 LEU B 105 -9.769 -6.119 5.819 1.00 7.20 C ATOM 0 H LEU B 105 -9.641 -7.058 11.153 1.00 4.35 H new ATOM 0 HA LEU B 105 -8.522 -4.891 9.489 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -8.580 -6.796 8.026 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -10.245 -7.133 8.457 1.00 5.45 H new ATOM 0 HG LEU B 105 -11.072 -5.268 7.291 1.00 6.23 H new ATOM 0 HD11 LEU B 105 -9.669 -3.462 6.361 1.00 5.95 H new ATOM 0 HD12 LEU B 105 -9.528 -3.571 8.132 1.00 5.95 H new ATOM 0 HD13 LEU B 105 -8.231 -4.211 7.095 1.00 5.95 H new ATOM 0 HD21 LEU B 105 -10.114 -5.470 5.014 1.00 7.20 H new ATOM 0 HD22 LEU B 105 -8.705 -6.319 5.693 1.00 7.20 H new ATOM 0 HD23 LEU B 105 -10.321 -7.059 5.790 1.00 7.20 H new ATOM 1297 N ASP B 106 -10.883 -5.057 11.346 1.00 5.41 N ATOM 1298 CA ASP B 106 -11.981 -4.397 11.969 1.00 6.32 C ATOM 1299 C ASP B 106 -11.361 -3.090 12.196 1.00 6.19 C ATOM 1300 O ASP B 106 -10.933 -2.504 11.199 1.00 6.37 O ATOM 1301 CB ASP B 106 -12.418 -5.092 13.261 1.00 7.13 C ATOM 1302 CG ASP B 106 -13.509 -6.116 13.017 1.00 8.06 C ATOM 1303 OD1 ASP B 106 -13.176 -7.284 12.729 1.00 8.55 O ATOM 1304 OD2 ASP B 106 -14.698 -5.747 13.114 1.00 8.48 O ATOM 0 H ASP B 106 -10.361 -5.667 11.976 1.00 5.41 H new ATOM 0 HA ASP B 106 -12.908 -4.372 11.396 1.00 6.32 H new ATOM 0 HB2 ASP B 106 -11.558 -5.581 13.718 1.00 7.13 H new ATOM 0 HB3 ASP B 106 -12.774 -4.346 13.971 1.00 7.13 H new ATOM 1309 N VAL B 107 -11.226 -2.540 13.381 1.00 6.17 N ATOM 1310 CA VAL B 107 -10.564 -1.280 13.335 1.00 6.24 C ATOM 1311 C VAL B 107 -9.267 -1.497 13.983 1.00 5.49 C ATOM 1312 O VAL B 107 -9.245 -1.816 15.173 1.00 5.67 O ATOM 1313 CB VAL B 107 -11.396 -0.240 14.115 1.00 7.18 C ATOM 1314 CG1 VAL B 107 -11.751 -0.749 15.512 1.00 7.33 C ATOM 1315 CG2 VAL B 107 -10.669 1.091 14.190 1.00 7.48 C ATOM 0 H VAL B 107 -11.529 -2.900 14.286 1.00 6.17 H new ATOM 0 HA VAL B 107 -10.440 -0.907 12.318 1.00 6.24 H new ATOM 0 HB VAL B 107 -12.328 -0.085 13.572 1.00 7.18 H new ATOM 0 HG11 VAL B 107 -12.337 0.006 16.036 1.00 7.33 H new ATOM 0 HG12 VAL B 107 -12.333 -1.667 15.428 1.00 7.33 H new ATOM 0 HG13 VAL B 107 -10.836 -0.950 16.069 1.00 7.33 H new ATOM 0 HG21 VAL B 107 -11.276 1.806 14.745 1.00 7.48 H new ATOM 0 HG22 VAL B 107 -9.714 0.956 14.697 1.00 7.48 H new ATOM 0 HG23 VAL B 107 -10.494 1.468 13.182 1.00 7.48 H new ATOM 1325 N ARG B 108 -8.160 -1.329 13.316 1.00 5.08 N ATOM 1326 CA ARG B 108 -6.954 -1.520 14.047 1.00 4.80 C ATOM 1327 C ARG B 108 -6.765 -0.293 14.857 1.00 4.49 C ATOM 1328 O ARG B 108 -6.591 0.772 14.262 1.00 4.98 O ATOM 1329 CB ARG B 108 -5.758 -1.760 13.142 1.00 5.26 C ATOM 1330 CG ARG B 108 -4.413 -1.614 13.849 1.00 6.18 C ATOM 1331 CD ARG B 108 -4.404 -2.235 15.238 1.00 6.96 C ATOM 1332 NE ARG B 108 -3.544 -1.485 16.144 1.00 7.64 N ATOM 1333 CZ ARG B 108 -2.267 -1.213 15.893 1.00 8.36 C ATOM 1334 NH1 ARG B 108 -1.657 -1.747 14.840 1.00 8.54 N ATOM 1335 NH2 ARG B 108 -1.586 -0.424 16.709 1.00 9.12 N ATOM 0 H ARG B 108 -8.071 -1.077 12.332 1.00 5.08 H new ATOM 0 HA ARG B 108 -7.029 -2.411 14.671 1.00 4.80 H new ATOM 0 HB2 ARG B 108 -5.829 -2.762 12.719 1.00 5.26 H new ATOM 0 HB3 ARG B 108 -5.798 -1.059 12.308 1.00 5.26 H new ATOM 0 HG2 ARG B 108 -3.637 -2.081 13.243 1.00 6.18 H new ATOM 0 HG3 ARG B 108 -4.163 -0.556 13.928 1.00 6.18 H new ATOM 0 HD2 ARG B 108 -5.419 -2.261 15.634 1.00 6.96 H new ATOM 0 HD3 ARG B 108 -4.059 -3.267 15.176 1.00 6.96 H new ATOM 0 HE ARG B 108 -3.944 -1.150 17.020 1.00 7.64 H new ATOM 0 HH11 ARG B 108 -2.169 -2.371 14.216 1.00 8.54 H new ATOM 0 HH12 ARG B 108 -0.677 -1.533 14.655 1.00 8.54 H new ATOM 0 HH21 ARG B 108 -2.041 -0.025 17.530 1.00 9.12 H new ATOM 0 HH22 ARG B 108 -0.606 -0.215 16.517 1.00 9.12 H new ATOM 1349 N THR B 109 -6.807 -0.347 16.176 1.00 4.05 N ATOM 1350 CA THR B 109 -6.598 0.934 16.818 1.00 4.08 C ATOM 1351 C THR B 109 -5.217 1.393 16.364 1.00 3.18 C ATOM 1352 O THR B 109 -4.183 0.878 16.789 1.00 3.48 O ATOM 1353 CB THR B 109 -6.673 0.837 18.349 1.00 4.98 C ATOM 1354 OG1 THR B 109 -7.448 -0.276 18.749 1.00 5.58 O ATOM 1355 CG2 THR B 109 -7.276 2.069 18.986 1.00 5.69 C ATOM 0 H THR B 109 -6.965 -1.163 16.767 1.00 4.05 H new ATOM 0 HA THR B 109 -7.378 1.642 16.538 1.00 4.08 H new ATOM 0 HB THR B 109 -5.641 0.733 18.685 1.00 4.98 H new ATOM 0 HG1 THR B 109 -7.480 -0.318 19.728 1.00 5.58 H new ATOM 0 HG21 THR B 109 -7.303 1.943 20.068 1.00 5.69 H new ATOM 0 HG22 THR B 109 -6.670 2.941 18.737 1.00 5.69 H new ATOM 0 HG23 THR B 109 -8.290 2.213 18.612 1.00 5.69 H new ATOM 1363 N CYS B 110 -5.253 2.356 15.459 1.00 2.52 N ATOM 1364 CA CYS B 110 -4.063 2.930 14.845 1.00 1.89 C ATOM 1365 C CYS B 110 -3.365 4.013 15.699 1.00 1.69 C ATOM 1366 O CYS B 110 -3.824 5.156 15.708 1.00 1.94 O ATOM 1367 CB CYS B 110 -4.448 3.457 13.464 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.353 2.934 12.085 1.00 2.61 S ATOM 0 H CYS B 110 -6.123 2.769 15.123 1.00 2.52 H new ATOM 0 HA CYS B 110 -3.316 2.141 14.760 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -5.464 3.133 13.241 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -4.462 4.546 13.501 1.00 2.23 H new ATOM 1373 N LEU B 111 -2.258 3.689 16.381 1.00 1.46 N ATOM 1374 CA LEU B 111 -1.521 4.697 17.183 1.00 1.37 C ATOM 1375 C LEU B 111 -1.621 6.103 16.559 1.00 1.20 C ATOM 1376 O LEU B 111 -1.082 6.338 15.474 1.00 1.18 O ATOM 1377 CB LEU B 111 -0.045 4.308 17.330 1.00 1.54 C ATOM 1378 CG LEU B 111 0.669 4.924 18.544 1.00 1.90 C ATOM 1379 CD1 LEU B 111 1.560 3.894 19.223 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.484 6.143 18.129 1.00 2.26 C ATOM 0 H LEU B 111 -1.851 2.754 16.399 1.00 1.46 H new ATOM 0 HA LEU B 111 -1.986 4.721 18.168 1.00 1.37 H new ATOM 0 HB2 LEU B 111 0.024 3.222 17.398 1.00 1.54 H new ATOM 0 HB3 LEU B 111 0.486 4.605 16.425 1.00 1.54 H new ATOM 0 HG LEU B 111 -0.090 5.245 19.257 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.056 4.350 20.080 1.00 2.47 H new ATOM 0 HD12 LEU B 111 0.953 3.054 19.560 1.00 2.47 H new ATOM 0 HD13 LEU B 111 2.310 3.539 18.516 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.981 6.563 19.003 1.00 2.26 H new ATOM 0 HD22 LEU B 111 2.232 5.847 17.394 1.00 2.26 H new ATOM 0 HD23 LEU B 111 0.823 6.892 17.693 1.00 2.26 H new ATOM 1392 N PRO B 112 -2.326 7.050 17.225 1.00 1.19 N ATOM 1393 CA PRO B 112 -2.521 8.425 16.725 1.00 1.12 C ATOM 1394 C PRO B 112 -1.479 9.434 17.247 1.00 1.03 C ATOM 1395 O PRO B 112 -1.253 9.511 18.455 1.00 1.06 O ATOM 1396 CB PRO B 112 -3.888 8.747 17.302 1.00 1.30 C ATOM 1397 CG PRO B 112 -3.906 8.071 18.632 1.00 1.47 C ATOM 1398 CD PRO B 112 -3.018 6.853 18.514 1.00 1.37 C ATOM 0 HA PRO B 112 -2.426 8.492 15.641 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -4.032 9.823 17.402 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -4.687 8.377 16.659 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -3.542 8.741 19.411 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -4.921 7.784 18.906 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -2.312 6.790 19.342 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -3.599 5.931 18.520 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.813 10.188 16.346 1.00 0.94 N ATOM 1407 CA CYS B 113 0.232 11.131 16.766 1.00 0.90 C ATOM 1408 C CYS B 113 0.194 12.407 15.928 1.00 0.91 C ATOM 1409 O CYS B 113 -0.755 12.640 15.179 1.00 1.00 O ATOM 1410 CB CYS B 113 1.621 10.432 16.657 1.00 0.83 C ATOM 1411 SG CYS B 113 2.813 11.124 15.433 1.00 0.87 S ATOM 0 H CYS B 113 -0.980 10.160 15.340 1.00 0.94 H new ATOM 0 HA CYS B 113 0.055 11.423 17.801 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.091 10.458 17.640 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.454 9.383 16.411 1.00 0.83 H new ATOM 1416 N GLY B 114 1.224 13.232 16.057 1.00 0.92 N ATOM 1417 CA GLY B 114 1.280 14.471 15.310 1.00 0.99 C ATOM 1418 C GLY B 114 0.353 15.504 15.885 1.00 1.11 C ATOM 1419 O GLY B 114 -0.156 15.321 16.989 1.00 1.16 O ATOM 0 H GLY B 114 2.024 13.064 16.668 1.00 0.92 H new ATOM 0 HA2 GLY B 114 2.301 14.854 15.315 1.00 0.99 H new ATOM 0 HA3 GLY B 114 1.015 14.282 14.270 1.00 0.99 H new ATOM 1423 N PRO B 115 0.034 16.573 15.141 1.00 1.19 N ATOM 1424 CA PRO B 115 -0.921 17.561 15.592 1.00 1.33 C ATOM 1425 C PRO B 115 -2.246 16.862 15.728 1.00 1.40 C ATOM 1426 O PRO B 115 -2.596 15.987 14.935 1.00 1.57 O ATOM 1427 CB PRO B 115 -0.936 18.595 14.481 1.00 1.46 C ATOM 1428 CG PRO B 115 -0.753 17.708 13.349 1.00 1.39 C ATOM 1429 CD PRO B 115 0.428 16.862 13.758 1.00 1.21 C ATOM 0 HA PRO B 115 -0.690 18.029 16.549 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -1.873 19.151 14.434 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -0.135 19.328 14.576 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -1.639 17.100 13.167 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -0.553 18.262 12.432 1.00 1.39 H new ATOM 0 HD2 PRO B 115 0.531 15.962 13.152 1.00 1.21 H new ATOM 0 HD3 PRO B 115 1.374 17.400 13.693 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.951 17.227 16.719 1.00 1.35 N ATOM 1438 CA GLY B 116 -4.217 16.693 17.048 1.00 1.48 C ATOM 1439 C GLY B 116 -4.174 15.251 17.384 1.00 1.44 C ATOM 1440 O GLY B 116 -5.153 14.735 17.930 1.00 1.70 O ATOM 0 H GLY B 116 -2.646 17.953 17.368 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -4.628 17.244 17.894 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.897 16.844 16.209 1.00 1.48 H new ATOM 1444 N GLY B 117 -3.078 14.549 17.116 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.092 13.199 17.466 1.00 1.26 C ATOM 1446 C GLY B 117 -4.119 12.456 16.661 1.00 1.26 C ATOM 1447 O GLY B 117 -4.587 11.383 17.024 1.00 1.38 O ATOM 0 H GLY B 117 -2.226 14.900 16.679 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.107 12.764 17.299 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.310 13.095 18.529 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.466 13.098 15.530 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.440 12.593 14.579 1.00 1.25 C ATOM 1453 C LYS B 118 -4.816 11.754 13.465 1.00 1.15 C ATOM 1454 O LYS B 118 -5.551 11.213 12.635 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.228 13.746 13.950 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.313 14.995 14.817 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.733 15.531 14.893 1.00 1.78 C ATOM 1458 CE LYS B 118 -7.867 16.869 14.186 1.00 1.95 C ATOM 1459 NZ LYS B 118 -7.954 16.711 12.707 1.00 2.54 N ATOM 0 H LYS B 118 -4.064 13.995 15.259 1.00 1.19 H new ATOM 0 HA LYS B 118 -6.105 11.944 15.149 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.766 14.009 12.999 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.238 13.402 13.729 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -5.956 14.766 15.821 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.655 15.764 14.413 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.418 14.812 14.444 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -8.025 15.640 15.937 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.757 17.384 14.549 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.012 17.498 14.434 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -8.044 17.647 12.263 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -7.094 16.243 12.357 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -8.785 16.133 12.468 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.486 11.600 13.417 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.884 10.782 12.388 1.00 0.97 C ATOM 1475 C GLY B 119 -2.171 9.624 13.048 1.00 0.93 C ATOM 1476 O GLY B 119 -2.222 9.517 14.278 1.00 1.02 O ATOM 0 H GLY B 119 -2.829 12.027 14.070 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.647 10.415 11.702 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.182 11.372 11.798 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.509 8.750 12.292 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.835 7.612 12.910 1.00 0.87 C ATOM 1482 C ARG B 120 0.662 7.600 12.625 1.00 0.80 C ATOM 1483 O ARG B 120 1.158 8.408 11.843 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.489 6.318 12.439 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.986 6.292 12.691 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.772 6.884 11.534 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.983 6.110 11.243 1.00 1.82 N ATOM 1488 CZ ARG B 120 -6.221 6.605 11.288 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -6.436 7.876 11.607 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -7.253 5.821 11.012 1.00 2.89 N ATOM 0 H ARG B 120 -1.426 8.805 11.277 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.943 7.703 13.991 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.302 6.188 11.373 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -1.024 5.474 12.949 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -3.307 5.264 12.858 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -3.209 6.847 13.602 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.046 7.912 11.770 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.141 6.918 10.646 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.871 5.128 10.989 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.649 8.488 11.822 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -7.388 8.240 11.637 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -7.099 4.843 10.766 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -8.201 6.195 11.045 1.00 2.89 H new ATOM 1504 N CYS B 121 1.381 6.684 13.277 1.00 0.82 N ATOM 1505 CA CYS B 121 2.833 6.585 13.099 1.00 0.81 C ATOM 1506 C CYS B 121 3.182 5.364 12.250 1.00 0.85 C ATOM 1507 O CYS B 121 2.497 4.343 12.294 1.00 1.05 O ATOM 1508 CB CYS B 121 3.545 6.436 14.452 1.00 0.91 C ATOM 1509 SG CYS B 121 3.958 7.991 15.315 1.00 1.07 S ATOM 0 H CYS B 121 0.987 6.005 13.928 1.00 0.82 H new ATOM 0 HA CYS B 121 3.162 7.500 12.606 1.00 0.81 H new ATOM 0 HB2 CYS B 121 2.914 5.836 15.108 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.466 5.875 14.295 1.00 0.91 H new ATOM 1514 N PHE B 122 4.253 5.486 11.468 1.00 0.76 N ATOM 1515 CA PHE B 122 4.708 4.403 10.595 1.00 0.84 C ATOM 1516 C PHE B 122 6.226 4.270 10.648 1.00 0.95 C ATOM 1517 O PHE B 122 6.756 3.184 10.886 1.00 1.44 O ATOM 1518 CB PHE B 122 4.260 4.671 9.158 1.00 0.86 C ATOM 1519 CG PHE B 122 2.776 4.574 8.986 1.00 0.86 C ATOM 1520 CD1 PHE B 122 1.939 5.575 9.457 1.00 1.42 C ATOM 1521 CD2 PHE B 122 2.213 3.465 8.372 1.00 1.41 C ATOM 1522 CE1 PHE B 122 0.567 5.469 9.315 1.00 1.50 C ATOM 1523 CE2 PHE B 122 0.843 3.357 8.226 1.00 1.53 C ATOM 1524 CZ PHE B 122 0.019 4.360 8.698 1.00 1.15 C ATOM 0 H PHE B 122 4.826 6.329 11.421 1.00 0.76 H new ATOM 0 HA PHE B 122 4.266 3.469 10.943 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.592 5.665 8.858 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.746 3.958 8.492 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.362 6.444 9.939 1.00 1.42 H new ATOM 0 HD2 PHE B 122 2.853 2.677 8.004 1.00 1.41 H new ATOM 0 HE1 PHE B 122 -0.076 6.253 9.686 1.00 1.50 H new ATOM 0 HE2 PHE B 122 0.417 2.490 7.744 1.00 1.53 H new ATOM 0 HZ PHE B 122 -1.052 4.278 8.585 1.00 1.15 H new ATOM 1534 N GLY B 123 6.918 5.382 10.433 1.00 0.84 N ATOM 1535 CA GLY B 123 8.371 5.374 10.469 1.00 0.89 C ATOM 1536 C GLY B 123 8.902 5.926 11.778 1.00 0.89 C ATOM 1537 O GLY B 123 8.142 6.081 12.731 1.00 0.90 O ATOM 0 H GLY B 123 6.500 6.291 10.234 1.00 0.84 H new ATOM 0 HA2 GLY B 123 8.733 4.355 10.330 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.759 5.966 9.640 1.00 0.89 H new ATOM 1541 N PRO B 124 10.203 6.246 11.861 1.00 1.02 N ATOM 1542 CA PRO B 124 10.799 6.795 13.075 1.00 1.08 C ATOM 1543 C PRO B 124 10.464 8.272 13.245 1.00 0.96 C ATOM 1544 O PRO B 124 9.830 8.669 14.221 1.00 1.02 O ATOM 1545 CB PRO B 124 12.311 6.609 12.872 1.00 1.33 C ATOM 1546 CG PRO B 124 12.490 5.972 11.525 1.00 1.51 C ATOM 1547 CD PRO B 124 11.187 6.111 10.785 1.00 1.26 C ATOM 0 HA PRO B 124 10.425 6.299 13.971 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.829 7.567 12.919 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.732 5.980 13.656 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.297 6.456 10.975 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.762 4.922 11.630 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.188 6.981 10.129 1.00 1.26 H new ATOM 0 HD3 PRO B 124 10.984 5.241 10.161 1.00 1.26 H new ATOM 1555 N SER B 125 10.884 9.075 12.277 1.00 0.97 N ATOM 1556 CA SER B 125 10.625 10.510 12.294 1.00 0.92 C ATOM 1557 C SER B 125 9.494 10.844 11.333 1.00 0.76 C ATOM 1558 O SER B 125 9.438 11.945 10.782 1.00 0.78 O ATOM 1559 CB SER B 125 11.883 11.278 11.875 1.00 1.12 C ATOM 1560 OG SER B 125 12.164 12.335 12.774 1.00 1.25 O ATOM 0 H SER B 125 11.410 8.755 11.464 1.00 0.97 H new ATOM 0 HA SER B 125 10.343 10.801 13.306 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.732 10.596 11.836 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.749 11.678 10.870 1.00 1.12 H new ATOM 0 HG SER B 125 11.583 13.098 12.573 1.00 1.25 H new ATOM 1566 N ILE B 126 8.620 9.875 11.095 1.00 0.70 N ATOM 1567 CA ILE B 126 7.537 10.063 10.156 1.00 0.60 C ATOM 1568 C ILE B 126 6.173 9.639 10.708 1.00 0.57 C ATOM 1569 O ILE B 126 5.967 8.477 11.061 1.00 0.74 O ATOM 1570 CB ILE B 126 7.815 9.291 8.857 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.313 9.061 8.639 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.238 10.039 7.693 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.604 7.990 7.611 1.00 0.85 C ATOM 0 H ILE B 126 8.644 8.957 11.540 1.00 0.70 H new ATOM 0 HA ILE B 126 7.491 11.135 9.962 1.00 0.60 H new ATOM 0 HB ILE B 126 7.341 8.313 8.941 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.776 9.996 8.323 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.774 8.782 9.587 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.437 9.489 6.773 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.162 10.146 7.827 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.696 11.026 7.632 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.682 7.874 7.502 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.169 7.045 7.937 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.171 8.278 6.653 1.00 0.85 H new ATOM 1585 N CYS B 127 5.235 10.591 10.739 1.00 0.54 N ATOM 1586 CA CYS B 127 3.869 10.330 11.205 1.00 0.53 C ATOM 1587 C CYS B 127 2.885 10.710 10.102 1.00 0.53 C ATOM 1588 O CYS B 127 2.833 11.857 9.666 1.00 0.56 O ATOM 1589 CB CYS B 127 3.557 11.113 12.488 1.00 0.56 C ATOM 1590 SG CYS B 127 2.358 10.312 13.621 1.00 0.89 S ATOM 0 H CYS B 127 5.398 11.554 10.445 1.00 0.54 H new ATOM 0 HA CYS B 127 3.775 9.269 11.437 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.489 11.278 13.029 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.171 12.094 12.211 1.00 0.56 H new ATOM 1595 N CYS B 128 2.144 9.723 9.631 1.00 0.53 N ATOM 1596 CA CYS B 128 1.195 9.895 8.561 1.00 0.56 C ATOM 1597 C CYS B 128 -0.186 9.278 8.842 1.00 0.60 C ATOM 1598 O CYS B 128 -0.314 8.057 8.885 1.00 0.76 O ATOM 1599 CB CYS B 128 1.758 9.239 7.289 1.00 0.63 C ATOM 1600 SG CYS B 128 3.482 8.660 7.422 1.00 1.23 S ATOM 0 H CYS B 128 2.190 8.769 9.990 1.00 0.53 H new ATOM 0 HA CYS B 128 1.051 10.970 8.449 1.00 0.56 H new ATOM 0 HB2 CYS B 128 1.125 8.392 7.024 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.693 9.955 6.469 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.236 10.122 9.008 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.564 9.598 9.236 1.00 0.65 C ATOM 1607 C GLY B 129 -3.457 9.695 8.014 1.00 0.66 C ATOM 1608 O GLY B 129 -2.989 9.763 6.883 1.00 0.64 O ATOM 0 H GLY B 129 -1.171 11.140 8.986 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.489 8.555 9.543 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.026 10.140 10.061 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.750 9.670 8.269 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.772 9.683 7.225 1.00 0.76 C ATOM 1614 C ASP B 130 -5.897 10.971 6.439 1.00 0.77 C ATOM 1615 O ASP B 130 -5.813 10.947 5.210 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.136 9.307 7.797 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.648 10.316 8.805 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -6.848 10.766 9.651 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -8.849 10.656 8.747 1.00 2.35 O ATOM 0 H ASP B 130 -5.131 9.640 9.215 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.425 8.937 6.510 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.854 9.217 6.982 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.069 8.328 8.272 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.100 12.082 7.110 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.216 13.337 6.376 1.00 0.85 C ATOM 1626 C GLU B 131 -5.226 14.323 6.903 1.00 0.89 C ATOM 1627 O GLU B 131 -5.418 15.536 6.859 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.635 13.912 6.557 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.643 12.926 7.135 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.053 13.172 6.633 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.535 14.319 6.754 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.674 12.219 6.118 1.00 1.69 O ATOM 0 H GLU B 131 -6.187 12.152 8.124 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.023 13.150 5.320 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.581 14.783 7.210 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -7.999 14.261 5.591 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.341 11.911 6.877 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.631 12.996 8.223 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.145 13.764 7.359 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.076 14.481 7.920 1.00 0.89 C ATOM 1641 C LEU B 132 -1.864 14.093 7.122 1.00 0.83 C ATOM 1642 O LEU B 132 -0.918 14.863 6.972 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.980 14.045 9.373 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.230 15.139 10.414 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.608 14.530 11.754 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.020 16.036 10.566 1.00 1.38 C ATOM 0 H LEU B 132 -3.993 12.755 7.342 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.188 15.565 7.894 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.696 13.241 9.540 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -1.987 13.628 9.543 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.062 15.749 10.062 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.781 15.325 12.479 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.516 13.938 11.641 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.798 13.890 12.104 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.227 16.803 11.312 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.164 15.441 10.885 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.796 16.510 9.610 1.00 1.38 H new ATOM 1658 N GLY B 133 -1.965 12.913 6.516 1.00 0.72 N ATOM 1659 CA GLY B 133 -0.955 12.450 5.651 1.00 0.70 C ATOM 1660 C GLY B 133 0.303 12.032 6.346 1.00 0.66 C ATOM 1661 O GLY B 133 0.236 11.218 7.233 1.00 0.65 O ATOM 0 H GLY B 133 -2.754 12.276 6.628 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.340 11.605 5.081 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -0.717 13.236 4.934 1.00 0.70 H new ATOM 1665 N CYS B 134 1.453 12.564 5.949 1.00 0.69 N ATOM 1666 CA CYS B 134 2.709 12.133 6.559 1.00 0.68 C ATOM 1667 C CYS B 134 3.708 13.242 6.816 1.00 0.64 C ATOM 1668 O CYS B 134 4.211 13.849 5.877 1.00 0.62 O ATOM 1669 CB CYS B 134 3.376 11.132 5.622 1.00 0.72 C ATOM 1670 SG CYS B 134 4.578 10.042 6.417 1.00 1.08 S ATOM 0 H CYS B 134 1.545 13.277 5.226 1.00 0.69 H new ATOM 0 HA CYS B 134 2.442 11.716 7.530 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.604 10.520 5.156 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.875 11.680 4.822 1.00 0.72 H new ATOM 1675 N PHE B 135 4.059 13.466 8.084 1.00 0.67 N ATOM 1676 CA PHE B 135 5.035 14.447 8.419 1.00 0.66 C ATOM 1677 C PHE B 135 6.335 13.711 8.474 1.00 0.64 C ATOM 1678 O PHE B 135 6.572 12.946 9.410 1.00 0.64 O ATOM 1679 CB PHE B 135 4.737 15.029 9.802 1.00 0.70 C ATOM 1680 CG PHE B 135 3.358 15.606 9.965 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.222 14.874 9.645 1.00 0.96 C ATOM 1682 CD2 PHE B 135 3.200 16.895 10.435 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.966 15.428 9.788 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.947 17.447 10.586 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.833 16.718 10.262 1.00 1.23 C ATOM 0 H PHE B 135 3.667 12.967 8.883 1.00 0.67 H new ATOM 0 HA PHE B 135 5.046 15.265 7.699 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.877 14.246 10.547 1.00 0.70 H new ATOM 0 HB3 PHE B 135 5.468 15.808 10.017 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.322 13.862 9.281 1.00 0.96 H new ATOM 0 HD2 PHE B 135 4.072 17.479 10.688 1.00 1.15 H new ATOM 0 HE1 PHE B 135 0.089 14.853 9.530 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.843 18.455 10.960 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.149 17.152 10.377 1.00 1.23 H new ATOM 1695 N VAL B 136 7.180 13.914 7.497 1.00 0.66 N ATOM 1696 CA VAL B 136 8.429 13.222 7.511 1.00 0.68 C ATOM 1697 C VAL B 136 9.481 14.136 8.079 1.00 0.71 C ATOM 1698 O VAL B 136 10.183 14.847 7.357 1.00 0.74 O ATOM 1699 CB VAL B 136 8.826 12.693 6.109 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.854 11.569 6.229 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.584 12.214 5.348 1.00 0.74 C ATOM 0 H VAL B 136 7.028 14.537 6.704 1.00 0.66 H new ATOM 0 HA VAL B 136 8.334 12.339 8.143 1.00 0.68 H new ATOM 0 HB VAL B 136 9.280 13.509 5.547 1.00 0.73 H new ATOM 0 HG11 VAL B 136 10.120 11.211 5.234 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.746 11.944 6.730 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.430 10.749 6.808 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.879 11.846 4.365 1.00 0.74 H new ATOM 0 HG22 VAL B 136 7.102 11.412 5.907 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.887 13.044 5.230 1.00 0.74 H new ATOM 1711 N GLY B 137 9.559 14.128 9.404 1.00 0.72 N ATOM 1712 CA GLY B 137 10.552 14.965 10.074 1.00 0.76 C ATOM 1713 C GLY B 137 10.105 15.605 11.381 1.00 0.73 C ATOM 1714 O GLY B 137 10.536 15.175 12.451 1.00 0.83 O ATOM 0 H GLY B 137 8.968 13.571 10.022 1.00 0.72 H new ATOM 0 HA2 GLY B 137 11.436 14.359 10.272 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.855 15.757 9.388 1.00 0.76 H new ATOM 1718 N THR B 138 9.284 16.659 11.286 1.00 0.69 N ATOM 1719 CA THR B 138 8.795 17.409 12.464 1.00 0.70 C ATOM 1720 C THR B 138 8.825 16.588 13.751 1.00 0.73 C ATOM 1721 O THR B 138 8.749 15.358 13.723 1.00 0.77 O ATOM 1722 CB THR B 138 7.380 17.925 12.216 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.694 18.144 13.436 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.552 16.978 11.389 1.00 0.77 C ATOM 0 H THR B 138 8.938 17.019 10.397 1.00 0.69 H new ATOM 0 HA THR B 138 9.479 18.247 12.601 1.00 0.70 H new ATOM 0 HB THR B 138 7.503 18.860 11.670 1.00 0.73 H new ATOM 0 HG1 THR B 138 6.577 19.107 13.577 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.556 17.397 11.245 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.028 16.830 10.419 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.472 16.020 11.903 1.00 0.77 H new ATOM 1732 N ALA B 139 8.916 17.279 14.886 1.00 0.79 N ATOM 1733 CA ALA B 139 8.958 16.607 16.170 1.00 0.88 C ATOM 1734 C ALA B 139 7.702 15.787 16.400 1.00 0.83 C ATOM 1735 O ALA B 139 7.767 14.701 16.963 1.00 0.87 O ATOM 1736 CB ALA B 139 9.121 17.636 17.277 1.00 1.04 C ATOM 0 H ALA B 139 8.961 18.297 14.936 1.00 0.79 H new ATOM 0 HA ALA B 139 9.809 15.926 16.177 1.00 0.88 H new ATOM 0 HB1 ALA B 139 9.152 17.130 18.242 1.00 1.04 H new ATOM 0 HB2 ALA B 139 10.048 18.189 17.126 1.00 1.04 H new ATOM 0 HB3 ALA B 139 8.279 18.328 17.257 1.00 1.04 H new ATOM 1742 N GLU B 140 6.553 16.318 15.998 1.00 0.79 N ATOM 1743 CA GLU B 140 5.279 15.635 16.191 1.00 0.79 C ATOM 1744 C GLU B 140 5.368 14.128 15.936 1.00 0.73 C ATOM 1745 O GLU B 140 4.613 13.350 16.518 1.00 0.79 O ATOM 1746 CB GLU B 140 4.234 16.270 15.278 1.00 0.83 C ATOM 1747 CG GLU B 140 3.792 17.652 15.732 1.00 1.27 C ATOM 1748 CD GLU B 140 3.896 18.693 14.633 1.00 1.55 C ATOM 1749 OE1 GLU B 140 3.196 18.551 13.608 1.00 1.90 O ATOM 1750 OE2 GLU B 140 4.683 19.648 14.796 1.00 2.31 O ATOM 0 H GLU B 140 6.478 17.223 15.534 1.00 0.79 H new ATOM 0 HA GLU B 140 4.991 15.751 17.236 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.639 16.340 14.269 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.363 15.617 15.227 1.00 0.83 H new ATOM 0 HG2 GLU B 140 2.761 17.602 16.082 1.00 1.27 H new ATOM 0 HG3 GLU B 140 4.402 17.963 16.580 1.00 1.27 H new ATOM 1757 N ALA B 141 6.268 13.716 15.057 1.00 0.69 N ATOM 1758 CA ALA B 141 6.426 12.322 14.729 1.00 0.70 C ATOM 1759 C ALA B 141 7.421 11.656 15.656 1.00 0.77 C ATOM 1760 O ALA B 141 7.447 10.446 15.748 1.00 0.87 O ATOM 1761 CB ALA B 141 6.886 12.179 13.290 1.00 0.75 C ATOM 0 H ALA B 141 6.902 14.340 14.558 1.00 0.69 H new ATOM 0 HA ALA B 141 5.461 11.830 14.852 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.003 11.123 13.049 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.145 12.623 12.625 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.841 12.689 13.161 1.00 0.75 H new ATOM 1767 N LEU B 142 8.282 12.440 16.297 1.00 0.80 N ATOM 1768 CA LEU B 142 9.314 11.882 17.169 1.00 0.93 C ATOM 1769 C LEU B 142 8.816 10.704 17.992 1.00 1.06 C ATOM 1770 O LEU B 142 9.507 9.686 18.076 1.00 1.24 O ATOM 1771 CB LEU B 142 9.908 12.956 18.085 1.00 0.97 C ATOM 1772 CG LEU B 142 11.189 13.614 17.570 1.00 1.01 C ATOM 1773 CD1 LEU B 142 11.350 15.005 18.161 1.00 1.11 C ATOM 1774 CD2 LEU B 142 12.401 12.755 17.898 1.00 1.14 C ATOM 0 H LEU B 142 8.288 13.458 16.231 1.00 0.80 H new ATOM 0 HA LEU B 142 10.098 11.508 16.510 1.00 0.93 H new ATOM 0 HB2 LEU B 142 9.158 13.731 18.243 1.00 0.97 H new ATOM 0 HB3 LEU B 142 10.114 12.509 19.057 1.00 0.97 H new ATOM 0 HG LEU B 142 11.114 13.706 16.486 1.00 1.01 H new ATOM 0 HD11 LEU B 142 12.267 15.457 17.783 1.00 1.11 H new ATOM 0 HD12 LEU B 142 10.497 15.622 17.877 1.00 1.11 H new ATOM 0 HD13 LEU B 142 11.401 14.935 19.248 1.00 1.11 H new ATOM 0 HD21 LEU B 142 13.303 13.240 17.524 1.00 1.14 H new ATOM 0 HD22 LEU B 142 12.478 12.631 18.978 1.00 1.14 H new ATOM 0 HD23 LEU B 142 12.292 11.778 17.427 1.00 1.14 H new ATOM 1786 N ARG B 143 7.622 10.796 18.570 1.00 1.06 N ATOM 1787 CA ARG B 143 7.097 9.660 19.318 1.00 1.26 C ATOM 1788 C ARG B 143 7.172 8.425 18.415 1.00 1.27 C ATOM 1789 O ARG B 143 7.285 7.290 18.876 1.00 1.49 O ATOM 1790 CB ARG B 143 5.651 9.915 19.754 1.00 1.35 C ATOM 1791 CG ARG B 143 4.730 10.353 18.621 1.00 1.36 C ATOM 1792 CD ARG B 143 4.217 11.768 18.832 1.00 1.50 C ATOM 1793 NE ARG B 143 3.374 11.874 20.021 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.219 12.995 20.724 1.00 2.20 C ATOM 1795 NH1 ARG B 143 3.855 14.106 20.371 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.424 13.004 21.787 1.00 2.93 N ATOM 0 H ARG B 143 7.017 11.617 18.538 1.00 1.06 H new ATOM 0 HA ARG B 143 7.688 9.506 20.221 1.00 1.26 H new ATOM 0 HB2 ARG B 143 5.252 9.005 20.202 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.646 10.681 20.529 1.00 1.35 H new ATOM 0 HG2 ARG B 143 5.266 10.297 17.674 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.886 9.666 18.551 1.00 1.36 H new ATOM 0 HD2 ARG B 143 5.062 12.450 18.925 1.00 1.50 H new ATOM 0 HD3 ARG B 143 3.649 12.082 17.956 1.00 1.50 H new ATOM 0 HE ARG B 143 2.875 11.040 20.331 1.00 1.90 H new ATOM 0 HH11 ARG B 143 4.468 14.106 19.556 1.00 2.36 H new ATOM 0 HH12 ARG B 143 3.730 14.960 20.915 1.00 2.36 H new ATOM 0 HH21 ARG B 143 1.933 12.154 22.064 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.304 13.861 22.327 1.00 2.93 H new ATOM 1810 N CYS B 144 7.043 8.693 17.114 1.00 1.10 N ATOM 1811 CA CYS B 144 7.032 7.612 16.118 1.00 1.17 C ATOM 1812 C CYS B 144 8.265 6.708 16.289 1.00 1.44 C ATOM 1813 O CYS B 144 8.269 5.563 15.842 1.00 1.61 O ATOM 1814 CB CYS B 144 6.977 8.144 14.679 1.00 1.05 C ATOM 1815 SG CYS B 144 5.381 8.878 14.161 1.00 1.26 S ATOM 0 H CYS B 144 6.946 9.632 16.727 1.00 1.10 H new ATOM 0 HA CYS B 144 6.125 7.032 16.292 1.00 1.17 H new ATOM 0 HB2 CYS B 144 7.757 8.896 14.560 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.217 7.326 14.000 1.00 1.05 H new ATOM 1820 N GLN B 145 9.312 7.232 16.929 1.00 1.58 N ATOM 1821 CA GLN B 145 10.552 6.478 17.150 1.00 1.89 C ATOM 1822 C GLN B 145 10.322 5.078 17.738 1.00 2.14 C ATOM 1823 O GLN B 145 11.062 4.140 17.423 1.00 2.40 O ATOM 1824 CB GLN B 145 11.476 7.267 18.084 1.00 2.00 C ATOM 1825 CG GLN B 145 12.954 7.016 17.834 1.00 2.43 C ATOM 1826 CD GLN B 145 13.839 8.091 18.435 1.00 2.77 C ATOM 1827 OE1 GLN B 145 14.386 7.924 19.525 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.984 9.203 17.724 1.00 3.05 N ATOM 0 H GLN B 145 9.328 8.180 17.306 1.00 1.58 H new ATOM 0 HA GLN B 145 11.008 6.342 16.169 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.272 8.332 17.968 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.242 7.008 19.117 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.230 6.048 18.252 1.00 2.43 H new ATOM 0 HG3 GLN B 145 13.133 6.962 16.760 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.512 9.299 16.825 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.568 9.961 18.077 1.00 3.05 H new ATOM 1837 N GLU B 146 9.315 4.918 18.591 1.00 2.12 N ATOM 1838 CA GLU B 146 9.080 3.610 19.203 1.00 2.41 C ATOM 1839 C GLU B 146 8.194 2.745 18.324 1.00 2.40 C ATOM 1840 O GLU B 146 8.011 1.549 18.584 1.00 2.57 O ATOM 1841 CB GLU B 146 8.429 3.773 20.580 1.00 2.47 C ATOM 1842 CG GLU B 146 9.424 3.996 21.707 1.00 2.88 C ATOM 1843 CD GLU B 146 8.818 4.746 22.876 1.00 3.26 C ATOM 1844 OE1 GLU B 146 8.834 5.995 22.852 1.00 3.59 O ATOM 1845 OE2 GLU B 146 8.326 4.085 23.814 1.00 3.76 O ATOM 0 H GLU B 146 8.664 5.652 18.870 1.00 2.12 H new ATOM 0 HA GLU B 146 10.047 3.119 19.315 1.00 2.41 H new ATOM 0 HB2 GLU B 146 7.737 4.615 20.547 1.00 2.47 H new ATOM 0 HB3 GLU B 146 7.839 2.884 20.800 1.00 2.47 H new ATOM 0 HG2 GLU B 146 9.799 3.032 22.053 1.00 2.88 H new ATOM 0 HG3 GLU B 146 10.280 4.553 21.327 1.00 2.88 H new ATOM 1852 N GLU B 147 7.708 3.321 17.237 1.00 2.27 N ATOM 1853 CA GLU B 147 6.902 2.568 16.307 1.00 2.36 C ATOM 1854 C GLU B 147 7.808 1.802 15.355 1.00 2.40 C ATOM 1855 O GLU B 147 7.340 1.162 14.413 1.00 2.48 O ATOM 1856 CB GLU B 147 5.953 3.490 15.545 1.00 2.40 C ATOM 1857 CG GLU B 147 4.665 3.772 16.302 1.00 2.97 C ATOM 1858 CD GLU B 147 3.575 2.763 15.997 1.00 3.47 C ATOM 1859 OE1 GLU B 147 3.554 1.695 16.646 1.00 4.01 O ATOM 1860 OE2 GLU B 147 2.743 3.040 15.109 1.00 3.71 O ATOM 0 H GLU B 147 7.858 4.297 16.984 1.00 2.27 H new ATOM 0 HA GLU B 147 6.290 1.854 16.858 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.460 4.432 15.337 1.00 2.40 H new ATOM 0 HB3 GLU B 147 5.711 3.039 14.583 1.00 2.40 H new ATOM 0 HG2 GLU B 147 4.869 3.768 17.373 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.311 4.771 16.049 1.00 2.97 H new ATOM 1867 N ASN B 148 9.116 1.855 15.622 1.00 2.59 N ATOM 1868 CA ASN B 148 10.075 1.139 14.811 1.00 3.03 C ATOM 1869 C ASN B 148 10.003 -0.346 15.123 1.00 3.37 C ATOM 1870 O ASN B 148 10.277 -1.181 14.263 1.00 3.85 O ATOM 1871 CB ASN B 148 11.491 1.661 15.060 1.00 3.19 C ATOM 1872 CG ASN B 148 11.975 2.562 13.943 1.00 3.48 C ATOM 1873 OD1 ASN B 148 12.967 2.271 13.276 1.00 3.92 O ATOM 1874 ND2 ASN B 148 11.272 3.667 13.738 1.00 3.79 N ATOM 0 H ASN B 148 9.523 2.386 16.392 1.00 2.59 H new ATOM 0 HA ASN B 148 9.832 1.298 13.760 1.00 3.03 H new ATOM 0 HB2 ASN B 148 11.514 2.209 16.002 1.00 3.19 H new ATOM 0 HB3 ASN B 148 12.174 0.818 15.166 1.00 3.19 H new ATOM 0 HD21 ASN B 148 11.547 4.317 13.002 1.00 3.79 H new ATOM 0 HD22 ASN B 148 10.456 3.867 14.316 1.00 3.79 H new ATOM 1881 N TYR B 149 9.631 -0.678 16.363 1.00 3.23 N ATOM 1882 CA TYR B 149 9.537 -2.081 16.766 1.00 3.61 C ATOM 1883 C TYR B 149 8.109 -2.606 16.632 1.00 3.72 C ATOM 1884 O TYR B 149 7.719 -3.546 17.325 1.00 4.14 O ATOM 1885 CB TYR B 149 10.026 -2.259 18.207 1.00 3.69 C ATOM 1886 CG TYR B 149 11.270 -3.112 18.308 1.00 4.04 C ATOM 1887 CD1 TYR B 149 11.348 -4.334 17.650 1.00 4.26 C ATOM 1888 CD2 TYR B 149 12.373 -2.690 19.039 1.00 4.59 C ATOM 1889 CE1 TYR B 149 12.489 -5.109 17.719 1.00 4.76 C ATOM 1890 CE2 TYR B 149 13.517 -3.462 19.117 1.00 5.11 C ATOM 1891 CZ TYR B 149 13.572 -4.669 18.455 1.00 5.09 C ATOM 1892 OH TYR B 149 14.713 -5.437 18.526 1.00 5.73 O ATOM 0 H TYR B 149 9.394 -0.006 17.093 1.00 3.23 H new ATOM 0 HA TYR B 149 10.175 -2.659 16.098 1.00 3.61 H new ATOM 0 HB2 TYR B 149 10.228 -1.279 18.640 1.00 3.69 H new ATOM 0 HB3 TYR B 149 9.232 -2.712 18.801 1.00 3.69 H new ATOM 0 HD1 TYR B 149 10.503 -4.683 17.076 1.00 4.26 H new ATOM 0 HD2 TYR B 149 12.336 -1.742 19.555 1.00 4.59 H new ATOM 0 HE1 TYR B 149 12.534 -6.055 17.200 1.00 4.76 H new ATOM 0 HE2 TYR B 149 14.364 -3.121 19.694 1.00 5.11 H new ATOM 0 HH TYR B 149 15.379 -4.982 19.083 1.00 5.73 H new ATOM 1902 N LEU B 150 7.332 -2.004 15.734 1.00 3.60 N ATOM 1903 CA LEU B 150 5.949 -2.426 15.520 1.00 3.76 C ATOM 1904 C LEU B 150 5.523 -2.241 14.063 1.00 3.71 C ATOM 1905 O LEU B 150 4.933 -1.221 13.708 1.00 3.86 O ATOM 1906 CB LEU B 150 5.012 -1.642 16.438 1.00 4.10 C ATOM 1907 CG LEU B 150 5.017 -2.090 17.901 1.00 4.74 C ATOM 1908 CD1 LEU B 150 6.029 -1.284 18.702 1.00 4.91 C ATOM 1909 CD2 LEU B 150 3.626 -1.961 18.505 1.00 5.46 C ATOM 0 H LEU B 150 7.634 -1.227 15.146 1.00 3.60 H new ATOM 0 HA LEU B 150 5.886 -3.488 15.757 1.00 3.76 H new ATOM 0 HB2 LEU B 150 5.284 -0.587 16.396 1.00 4.10 H new ATOM 0 HB3 LEU B 150 3.996 -1.725 16.052 1.00 4.10 H new ATOM 0 HG LEU B 150 5.309 -3.140 17.939 1.00 4.74 H new ATOM 0 HD11 LEU B 150 6.019 -1.616 19.740 1.00 4.91 H new ATOM 0 HD12 LEU B 150 7.025 -1.431 18.284 1.00 4.91 H new ATOM 0 HD13 LEU B 150 5.769 -0.226 18.657 1.00 4.91 H new ATOM 0 HD21 LEU B 150 3.650 -2.284 19.546 1.00 5.46 H new ATOM 0 HD22 LEU B 150 3.303 -0.921 18.455 1.00 5.46 H new ATOM 0 HD23 LEU B 150 2.928 -2.585 17.947 1.00 5.46 H new ATOM 1921 N PRO B 151 5.816 -3.229 13.199 1.00 3.97 N ATOM 1922 CA PRO B 151 5.461 -3.174 11.785 1.00 4.33 C ATOM 1923 C PRO B 151 4.067 -3.733 11.507 1.00 4.40 C ATOM 1924 O PRO B 151 3.890 -4.573 10.624 1.00 4.80 O ATOM 1925 CB PRO B 151 6.527 -4.058 11.149 1.00 4.97 C ATOM 1926 CG PRO B 151 6.830 -5.094 12.184 1.00 5.02 C ATOM 1927 CD PRO B 151 6.520 -4.481 13.531 1.00 4.41 C ATOM 0 HA PRO B 151 5.430 -2.154 11.402 1.00 4.33 H new ATOM 0 HB2 PRO B 151 6.165 -4.513 10.227 1.00 4.97 H new ATOM 0 HB3 PRO B 151 7.417 -3.483 10.892 1.00 4.97 H new ATOM 0 HG2 PRO B 151 6.229 -5.989 12.021 1.00 5.02 H new ATOM 0 HG3 PRO B 151 7.875 -5.398 12.130 1.00 5.02 H new ATOM 0 HD2 PRO B 151 5.898 -5.140 14.136 1.00 4.41 H new ATOM 0 HD3 PRO B 151 7.429 -4.289 14.101 1.00 4.41 H new ATOM 1935 N SER B 152 3.079 -3.266 12.265 1.00 4.26 N ATOM 1936 CA SER B 152 1.703 -3.726 12.098 1.00 4.43 C ATOM 1937 C SER B 152 1.075 -3.140 10.832 1.00 3.85 C ATOM 1938 O SER B 152 1.538 -2.124 10.312 1.00 3.52 O ATOM 1939 CB SER B 152 0.865 -3.350 13.322 1.00 4.91 C ATOM 1940 OG SER B 152 0.989 -1.971 13.621 1.00 5.73 O ATOM 0 H SER B 152 3.205 -2.570 13.000 1.00 4.26 H new ATOM 0 HA SER B 152 1.721 -4.811 11.998 1.00 4.43 H new ATOM 0 HB2 SER B 152 -0.182 -3.593 13.138 1.00 4.91 H new ATOM 0 HB3 SER B 152 1.184 -3.941 14.180 1.00 4.91 H new ATOM 0 HG SER B 152 1.353 -1.864 14.525 1.00 5.73 H new ATOM 1946 N PRO B 153 0.007 -3.779 10.317 1.00 4.04 N ATOM 1947 CA PRO B 153 -0.683 -3.322 9.107 1.00 3.79 C ATOM 1948 C PRO B 153 -1.608 -2.132 9.373 1.00 2.92 C ATOM 1949 O PRO B 153 -1.603 -1.151 8.628 1.00 3.04 O ATOM 1950 CB PRO B 153 -1.487 -4.552 8.687 1.00 4.60 C ATOM 1951 CG PRO B 153 -1.770 -5.275 9.960 1.00 5.10 C ATOM 1952 CD PRO B 153 -0.604 -5.004 10.875 1.00 4.86 C ATOM 0 HA PRO B 153 0.011 -2.966 8.345 1.00 3.79 H new ATOM 0 HB2 PRO B 153 -2.409 -4.268 8.180 1.00 4.60 H new ATOM 0 HB3 PRO B 153 -0.922 -5.176 7.995 1.00 4.60 H new ATOM 0 HG2 PRO B 153 -2.702 -4.926 10.405 1.00 5.10 H new ATOM 0 HG3 PRO B 153 -1.883 -6.344 9.782 1.00 5.10 H new ATOM 0 HD2 PRO B 153 -0.930 -4.855 11.904 1.00 4.86 H new ATOM 0 HD3 PRO B 153 0.101 -5.835 10.881 1.00 4.86 H new ATOM 1960 N CYS B 154 -2.391 -2.232 10.446 1.00 2.52 N ATOM 1961 CA CYS B 154 -3.324 -1.177 10.842 1.00 1.97 C ATOM 1962 C CYS B 154 -4.535 -1.107 9.925 1.00 2.15 C ATOM 1963 O CYS B 154 -4.547 -0.339 8.961 1.00 2.65 O ATOM 1964 CB CYS B 154 -2.631 0.192 10.907 1.00 2.30 C ATOM 1965 SG CYS B 154 -2.797 1.026 12.525 1.00 2.68 S ATOM 0 H CYS B 154 -2.397 -3.044 11.064 1.00 2.52 H new ATOM 0 HA CYS B 154 -3.675 -1.437 11.841 1.00 1.97 H new ATOM 0 HB2 CYS B 154 -1.572 0.064 10.681 1.00 2.30 H new ATOM 0 HB3 CYS B 154 -3.046 0.836 10.132 1.00 2.30 H new ATOM 1970 N GLN B 155 -5.566 -1.898 10.247 1.00 2.16 N ATOM 1971 CA GLN B 155 -6.801 -1.894 9.448 1.00 2.64 C ATOM 1972 C GLN B 155 -6.527 -1.990 7.940 1.00 2.19 C ATOM 1973 O GLN B 155 -6.489 -3.083 7.377 1.00 2.43 O ATOM 1974 CB GLN B 155 -7.632 -0.638 9.768 1.00 3.40 C ATOM 1975 CG GLN B 155 -9.124 -0.905 9.891 1.00 4.33 C ATOM 1976 CD GLN B 155 -9.935 -0.259 8.784 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -10.248 -0.894 7.777 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -10.284 1.010 8.966 1.00 5.63 N ATOM 0 H GLN B 155 -5.573 -2.539 11.040 1.00 2.16 H new ATOM 0 HA GLN B 155 -7.368 -2.784 9.722 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -7.272 -0.203 10.700 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -7.468 0.104 8.986 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -9.297 -1.981 9.880 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -9.475 -0.535 10.854 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -10.003 1.499 9.816 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -10.833 1.495 8.256 1.00 5.63 H new ATOM 1987 N SER B 156 -6.350 -0.842 7.293 1.00 2.21 N ATOM 1988 CA SER B 156 -6.090 -0.797 5.855 1.00 2.03 C ATOM 1989 C SER B 156 -5.137 0.343 5.501 1.00 1.77 C ATOM 1990 O SER B 156 -5.445 1.519 5.703 1.00 2.17 O ATOM 1991 CB SER B 156 -7.399 -0.640 5.078 1.00 2.58 C ATOM 1992 OG SER B 156 -8.129 0.486 5.530 1.00 3.11 O ATOM 0 H SER B 156 -6.382 0.073 7.742 1.00 2.21 H new ATOM 0 HA SER B 156 -5.619 -1.739 5.574 1.00 2.03 H new ATOM 0 HB2 SER B 156 -7.184 -0.535 4.015 1.00 2.58 H new ATOM 0 HB3 SER B 156 -8.004 -1.539 5.193 1.00 2.58 H new ATOM 0 HG SER B 156 -7.511 1.224 5.715 1.00 3.11 H new ATOM 1998 N GLY B 157 -3.978 -0.020 4.979 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.981 0.955 4.606 1.00 1.82 C ATOM 2000 C GLY B 157 -1.704 0.279 4.178 1.00 1.65 C ATOM 2001 O GLY B 157 -0.608 0.763 4.464 1.00 2.07 O ATOM 0 H GLY B 157 -3.708 -0.988 4.805 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.359 1.576 3.794 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -2.782 1.618 5.448 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.848 -0.842 3.472 1.00 1.33 N ATOM 2006 CA GLN B 158 -0.697 -1.564 2.991 1.00 1.42 C ATOM 2007 C GLN B 158 -0.738 -1.671 1.480 1.00 1.04 C ATOM 2008 O GLN B 158 -0.966 -2.736 0.911 1.00 0.95 O ATOM 2009 CB GLN B 158 -0.691 -2.969 3.607 1.00 1.93 C ATOM 2010 CG GLN B 158 0.688 -3.598 3.691 1.00 2.76 C ATOM 2011 CD GLN B 158 1.417 -3.221 4.964 1.00 3.57 C ATOM 2012 OE1 GLN B 158 1.073 -2.240 5.623 1.00 3.89 O ATOM 2013 NE2 GLN B 158 2.430 -4.002 5.318 1.00 4.34 N ATOM 0 H GLN B 158 -2.747 -1.258 3.228 1.00 1.33 H new ATOM 0 HA GLN B 158 0.208 -1.029 3.279 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -1.118 -2.918 4.609 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -1.340 -3.617 3.017 1.00 1.93 H new ATOM 0 HG2 GLN B 158 0.594 -4.683 3.637 1.00 2.76 H new ATOM 0 HG3 GLN B 158 1.280 -3.286 2.830 1.00 2.76 H new ATOM 0 HE21 GLN B 158 2.680 -4.805 4.741 1.00 4.34 H new ATOM 0 HE22 GLN B 158 2.958 -3.799 6.167 1.00 4.34 H new ATOM 2022 N LYS B 159 -0.502 -0.537 0.855 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.387 -0.408 -0.586 1.00 1.13 C ATOM 2024 C LYS B 159 1.070 -0.168 -0.992 1.00 0.95 C ATOM 2025 O LYS B 159 1.426 0.998 -1.186 1.00 0.91 O ATOM 2026 CB LYS B 159 -1.328 0.660 -1.100 1.00 1.54 C ATOM 2027 CG LYS B 159 -2.592 0.072 -1.709 1.00 1.91 C ATOM 2028 CD LYS B 159 -3.651 -0.213 -0.653 1.00 2.18 C ATOM 2029 CE LYS B 159 -4.870 0.678 -0.838 1.00 2.81 C ATOM 2030 NZ LYS B 159 -5.681 0.275 -2.022 1.00 3.54 N ATOM 0 H LYS B 159 -0.381 0.348 1.348 1.00 1.15 H new ATOM 0 HA LYS B 159 -0.690 -1.344 -1.056 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.598 1.327 -0.282 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -0.814 1.264 -1.848 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.994 0.764 -2.449 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -2.346 -0.850 -2.235 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -3.951 -1.259 -0.709 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -3.230 -0.055 0.340 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -5.490 0.635 0.058 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -4.548 1.713 -0.954 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -6.502 0.907 -2.112 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -5.098 0.340 -2.881 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -6.010 -0.704 -1.900 1.00 3.54 H new ATOM 2044 N PRO B 160 1.948 -1.168 -1.074 1.00 1.05 N ATOM 2045 CA PRO B 160 3.354 -0.922 -1.409 1.00 1.14 C ATOM 2046 C PRO B 160 3.601 -0.546 -2.866 1.00 1.10 C ATOM 2047 O PRO B 160 4.109 -1.337 -3.659 1.00 1.23 O ATOM 2048 CB PRO B 160 4.031 -2.234 -1.080 1.00 1.46 C ATOM 2049 CG PRO B 160 2.959 -3.255 -1.237 1.00 1.51 C ATOM 2050 CD PRO B 160 1.684 -2.581 -0.805 1.00 1.27 C ATOM 0 HA PRO B 160 3.734 -0.064 -0.855 1.00 1.14 H new ATOM 0 HB2 PRO B 160 4.867 -2.429 -1.752 1.00 1.46 H new ATOM 0 HB3 PRO B 160 4.431 -2.231 -0.066 1.00 1.46 H new ATOM 0 HG2 PRO B 160 2.891 -3.595 -2.270 1.00 1.51 H new ATOM 0 HG3 PRO B 160 3.163 -4.134 -0.625 1.00 1.51 H new ATOM 0 HD2 PRO B 160 0.825 -2.945 -1.368 1.00 1.27 H new ATOM 0 HD3 PRO B 160 1.472 -2.758 0.249 1.00 1.27 H new ATOM 2058 N CYS B 161 3.246 0.680 -3.189 1.00 1.09 N ATOM 2059 CA CYS B 161 3.432 1.232 -4.525 1.00 1.15 C ATOM 2060 C CYS B 161 4.693 2.086 -4.540 1.00 1.37 C ATOM 2061 O CYS B 161 5.183 2.474 -3.475 1.00 1.58 O ATOM 2062 CB CYS B 161 2.215 2.088 -4.915 1.00 1.32 C ATOM 2063 SG CYS B 161 2.242 3.799 -4.257 1.00 1.58 S ATOM 0 H CYS B 161 2.817 1.330 -2.531 1.00 1.09 H new ATOM 0 HA CYS B 161 3.532 0.419 -5.244 1.00 1.15 H new ATOM 0 HB2 CYS B 161 2.152 2.132 -6.002 1.00 1.32 H new ATOM 0 HB3 CYS B 161 1.311 1.592 -4.563 1.00 1.32 H new ATOM 2068 N GLY B 162 5.276 2.327 -5.711 1.00 1.57 N ATOM 2069 CA GLY B 162 6.519 3.067 -5.755 1.00 1.88 C ATOM 2070 C GLY B 162 7.702 2.220 -5.353 1.00 2.05 C ATOM 2071 O GLY B 162 7.617 0.991 -5.335 1.00 2.37 O ATOM 0 H GLY B 162 4.914 2.027 -6.616 1.00 1.57 H new ATOM 0 HA2 GLY B 162 6.675 3.451 -6.763 1.00 1.88 H new ATOM 0 HA3 GLY B 162 6.450 3.929 -5.092 1.00 1.88 H new ATOM 2075 N SER B 163 8.825 2.871 -5.126 1.00 2.40 N ATOM 2076 CA SER B 163 10.081 2.183 -4.826 1.00 2.93 C ATOM 2077 C SER B 163 10.136 1.668 -3.397 1.00 2.71 C ATOM 2078 O SER B 163 10.960 2.084 -2.581 1.00 3.29 O ATOM 2079 CB SER B 163 11.269 3.111 -5.089 1.00 3.81 C ATOM 2080 OG SER B 163 11.922 2.769 -6.301 1.00 4.07 O ATOM 0 H SER B 163 8.901 3.888 -5.142 1.00 2.40 H new ATOM 0 HA SER B 163 10.135 1.318 -5.487 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.925 4.144 -5.136 1.00 3.81 H new ATOM 0 HB3 SER B 163 11.975 3.048 -4.261 1.00 3.81 H new ATOM 0 HG SER B 163 12.677 3.377 -6.449 1.00 4.07 H new ATOM 2086 N GLY B 164 9.245 0.707 -3.134 1.00 2.12 N ATOM 2087 CA GLY B 164 9.172 0.055 -1.842 1.00 2.11 C ATOM 2088 C GLY B 164 8.345 0.791 -0.810 1.00 1.92 C ATOM 2089 O GLY B 164 8.536 0.587 0.393 1.00 2.20 O ATOM 0 H GLY B 164 8.563 0.368 -3.812 1.00 2.12 H new ATOM 0 HA2 GLY B 164 8.756 -0.943 -1.977 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.183 -0.071 -1.455 1.00 2.11 H new ATOM 2093 N GLY B 165 7.428 1.655 -1.240 1.00 1.61 N ATOM 2094 CA GLY B 165 6.628 2.371 -0.278 1.00 1.60 C ATOM 2095 C GLY B 165 5.183 1.905 -0.218 1.00 1.42 C ATOM 2096 O GLY B 165 4.550 1.716 -1.250 1.00 1.62 O ATOM 0 H GLY B 165 7.232 1.865 -2.219 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.077 2.261 0.709 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.648 3.433 -0.521 1.00 1.60 H new ATOM 2100 N ARG B 166 4.652 1.742 0.996 1.00 1.16 N ATOM 2101 CA ARG B 166 3.261 1.347 1.174 1.00 1.03 C ATOM 2102 C ARG B 166 2.458 2.543 1.661 1.00 0.95 C ATOM 2103 O ARG B 166 3.015 3.439 2.290 1.00 1.04 O ATOM 2104 CB ARG B 166 3.079 0.166 2.129 1.00 1.08 C ATOM 2105 CG ARG B 166 4.042 0.142 3.308 1.00 1.23 C ATOM 2106 CD ARG B 166 5.379 -0.477 2.939 1.00 1.39 C ATOM 2107 NE ARG B 166 5.310 -1.934 2.865 1.00 1.79 N ATOM 2108 CZ ARG B 166 6.375 -2.714 2.691 1.00 2.31 C ATOM 2109 NH1 ARG B 166 7.588 -2.179 2.594 1.00 2.54 N ATOM 2110 NH2 ARG B 166 6.231 -4.029 2.619 1.00 3.05 N ATOM 0 H ARG B 166 5.167 1.878 1.866 1.00 1.16 H new ATOM 0 HA ARG B 166 2.898 1.010 0.203 1.00 1.03 H new ATOM 0 HB2 ARG B 166 2.059 0.181 2.512 1.00 1.08 H new ATOM 0 HB3 ARG B 166 3.194 -0.760 1.565 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.200 1.159 3.667 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.596 -0.420 4.129 1.00 1.23 H new ATOM 0 HD2 ARG B 166 5.708 -0.081 1.978 1.00 1.39 H new ATOM 0 HD3 ARG B 166 6.128 -0.187 3.676 1.00 1.39 H new ATOM 0 HE ARG B 166 4.396 -2.378 2.951 1.00 1.79 H new ATOM 0 HH11 ARG B 166 7.705 -1.167 2.653 1.00 2.54 H new ATOM 0 HH12 ARG B 166 8.401 -2.780 2.461 1.00 2.54 H new ATOM 0 HH21 ARG B 166 5.303 -4.445 2.697 1.00 3.05 H new ATOM 0 HH22 ARG B 166 7.048 -4.625 2.486 1.00 3.05 H new ATOM 2124 N CYS B 167 1.155 2.572 1.374 1.00 0.87 N ATOM 2125 CA CYS B 167 0.331 3.658 1.784 1.00 0.88 C ATOM 2126 C CYS B 167 0.501 3.868 3.262 1.00 0.88 C ATOM 2127 O CYS B 167 -0.032 3.119 4.084 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.131 3.330 1.464 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.320 4.610 1.988 1.00 1.56 S ATOM 0 H CYS B 167 0.667 1.841 0.856 1.00 0.87 H new ATOM 0 HA CYS B 167 0.616 4.568 1.255 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.230 3.177 0.389 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.394 2.388 1.946 1.00 0.94 H new ATOM 2134 N ALA B 168 1.200 4.921 3.599 1.00 0.90 N ATOM 2135 CA ALA B 168 1.383 5.244 4.973 1.00 0.95 C ATOM 2136 C ALA B 168 0.220 6.104 5.364 1.00 0.96 C ATOM 2137 O ALA B 168 -0.263 6.043 6.495 1.00 1.04 O ATOM 2138 CB ALA B 168 2.715 5.937 5.226 1.00 0.96 C ATOM 0 H ALA B 168 1.645 5.560 2.940 1.00 0.90 H new ATOM 0 HA ALA B 168 1.417 4.339 5.580 1.00 0.95 H new ATOM 0 HB1 ALA B 168 2.811 6.164 6.288 1.00 0.96 H new ATOM 0 HB2 ALA B 168 3.530 5.281 4.920 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.759 6.862 4.651 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.196 6.980 4.446 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.275 7.917 4.739 1.00 0.94 C ATOM 2146 C ALA B 169 -1.794 8.496 3.446 1.00 0.91 C ATOM 2147 O ALA B 169 -1.156 8.354 2.414 1.00 0.87 O ATOM 2148 CB ALA B 169 -0.809 9.041 5.635 1.00 0.98 C ATOM 0 H ALA B 169 0.194 7.058 3.507 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.063 7.374 5.260 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -1.640 9.718 5.831 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -0.447 8.629 6.577 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.004 9.587 5.144 1.00 0.98 H new ATOM 2154 N ALA B 170 -2.956 9.120 3.494 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.551 9.713 2.296 1.00 1.00 C ATOM 2156 C ALA B 170 -2.477 10.196 1.325 1.00 1.04 C ATOM 2157 O ALA B 170 -1.793 11.190 1.570 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.477 10.863 2.657 1.00 1.15 C ATOM 0 H ALA B 170 -3.510 9.233 4.343 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.135 8.934 1.806 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -4.905 11.285 1.748 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.278 10.497 3.299 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -3.913 11.633 3.183 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.351 9.478 0.220 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.386 9.820 -0.810 1.00 1.28 C ATOM 2166 C GLY B 171 0.049 9.474 -0.469 1.00 1.22 C ATOM 2167 O GLY B 171 0.940 9.670 -1.291 1.00 1.29 O ATOM 0 H GLY B 171 -2.909 8.650 0.014 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.661 9.307 -1.732 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.451 10.890 -1.009 1.00 1.28 H new ATOM 2171 N ILE B 172 0.293 8.968 0.733 1.00 1.13 N ATOM 2172 CA ILE B 172 1.652 8.618 1.129 1.00 1.09 C ATOM 2173 C ILE B 172 1.901 7.144 0.916 1.00 1.02 C ATOM 2174 O ILE B 172 1.236 6.296 1.501 1.00 1.34 O ATOM 2175 CB ILE B 172 1.952 8.950 2.619 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.259 10.243 3.039 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.448 9.058 2.841 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.300 11.266 1.952 1.00 0.91 C ATOM 0 H ILE B 172 -0.420 8.793 1.441 1.00 1.13 H new ATOM 0 HA ILE B 172 2.312 9.219 0.503 1.00 1.09 H new ATOM 0 HB ILE B 172 1.562 8.140 3.235 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.222 10.032 3.302 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.740 10.641 3.932 1.00 1.09 H new ATOM 0 HG21 ILE B 172 3.645 9.291 3.888 1.00 2.27 H new ATOM 0 HG22 ILE B 172 3.923 8.111 2.584 1.00 2.27 H new ATOM 0 HG23 ILE B 172 3.853 9.850 2.211 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.797 12.173 2.287 1.00 0.91 H new ATOM 0 HD12 ILE B 172 2.337 11.495 1.707 1.00 0.91 H new ATOM 0 HD13 ILE B 172 0.796 10.877 1.067 1.00 0.91 H new ATOM 2190 N CYS B 173 2.868 6.866 0.067 1.00 0.81 N ATOM 2191 CA CYS B 173 3.255 5.515 -0.261 1.00 1.04 C ATOM 2192 C CYS B 173 4.699 5.321 0.141 1.00 1.06 C ATOM 2193 O CYS B 173 5.596 5.721 -0.604 1.00 1.19 O ATOM 2194 CB CYS B 173 3.108 5.314 -1.763 1.00 1.17 C ATOM 2195 SG CYS B 173 2.729 3.612 -2.288 1.00 1.94 S ATOM 0 H CYS B 173 3.411 7.580 -0.418 1.00 0.81 H new ATOM 0 HA CYS B 173 2.626 4.796 0.264 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.319 5.973 -2.125 1.00 1.17 H new ATOM 0 HB3 CYS B 173 4.033 5.628 -2.247 1.00 1.17 H new ATOM 2200 N CYS B 174 4.956 4.772 1.329 1.00 0.97 N ATOM 2201 CA CYS B 174 6.338 4.658 1.738 1.00 0.99 C ATOM 2202 C CYS B 174 6.666 3.583 2.766 1.00 1.16 C ATOM 2203 O CYS B 174 5.833 2.761 3.157 1.00 1.35 O ATOM 2204 CB CYS B 174 6.796 6.009 2.239 1.00 1.12 C ATOM 2205 SG CYS B 174 5.860 6.690 3.644 1.00 1.26 S ATOM 0 H CYS B 174 4.261 4.419 1.987 1.00 0.97 H new ATOM 0 HA CYS B 174 6.876 4.330 0.849 1.00 0.99 H new ATOM 0 HB2 CYS B 174 7.844 5.932 2.528 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.744 6.719 1.413 1.00 1.12 H new ATOM 2210 N SER B 175 7.935 3.627 3.175 1.00 1.15 N ATOM 2211 CA SER B 175 8.524 2.705 4.133 1.00 1.38 C ATOM 2212 C SER B 175 9.220 3.498 5.238 1.00 1.29 C ATOM 2213 O SER B 175 9.172 4.728 5.237 1.00 1.12 O ATOM 2214 CB SER B 175 9.522 1.794 3.414 1.00 1.48 C ATOM 2215 OG SER B 175 9.121 0.436 3.479 1.00 2.00 O ATOM 0 H SER B 175 8.595 4.327 2.836 1.00 1.15 H new ATOM 0 HA SER B 175 7.746 2.087 4.582 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.610 2.100 2.371 1.00 1.48 H new ATOM 0 HB3 SER B 175 10.509 1.906 3.864 1.00 1.48 H new ATOM 0 HG SER B 175 9.777 -0.121 3.010 1.00 2.00 H new ATOM 2221 N PRO B 176 9.860 2.826 6.210 1.00 1.49 N ATOM 2222 CA PRO B 176 10.535 3.517 7.314 1.00 1.45 C ATOM 2223 C PRO B 176 11.842 4.203 6.896 1.00 1.20 C ATOM 2224 O PRO B 176 12.762 4.339 7.701 1.00 1.25 O ATOM 2225 CB PRO B 176 10.817 2.393 8.312 1.00 1.77 C ATOM 2226 CG PRO B 176 10.917 1.164 7.477 1.00 1.90 C ATOM 2227 CD PRO B 176 9.957 1.357 6.334 1.00 1.81 C ATOM 0 HA PRO B 176 9.921 4.326 7.711 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.740 2.574 8.862 1.00 1.77 H new ATOM 0 HB3 PRO B 176 10.018 2.308 9.049 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.934 1.023 7.112 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.660 0.277 8.056 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.328 0.900 5.417 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.987 0.907 6.544 1.00 1.81 H new ATOM 2235 N ASP B 177 11.906 4.657 5.640 1.00 1.01 N ATOM 2236 CA ASP B 177 13.081 5.359 5.123 1.00 0.92 C ATOM 2237 C ASP B 177 12.656 6.709 4.534 1.00 0.83 C ATOM 2238 O ASP B 177 13.079 7.769 5.004 1.00 0.90 O ATOM 2239 CB ASP B 177 13.782 4.511 4.056 1.00 1.18 C ATOM 2240 CG ASP B 177 14.607 3.391 4.660 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.681 3.683 5.226 1.00 2.51 O ATOM 2242 OD2 ASP B 177 14.179 2.221 4.565 1.00 2.72 O ATOM 0 H ASP B 177 11.153 4.549 4.961 1.00 1.01 H new ATOM 0 HA ASP B 177 13.781 5.530 5.940 1.00 0.92 H new ATOM 0 HB2 ASP B 177 13.036 4.087 3.384 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.427 5.150 3.454 1.00 1.18 H new ATOM 2247 N GLY B 178 11.797 6.651 3.520 1.00 0.89 N ATOM 2248 CA GLY B 178 11.290 7.854 2.897 1.00 0.87 C ATOM 2249 C GLY B 178 9.810 7.726 2.604 1.00 0.85 C ATOM 2250 O GLY B 178 9.174 6.791 3.090 1.00 0.99 O ATOM 0 H GLY B 178 11.443 5.783 3.118 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.463 8.708 3.551 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.833 8.046 1.972 1.00 0.87 H new ATOM 2254 N CYS B 179 9.258 8.642 1.803 1.00 0.78 N ATOM 2255 CA CYS B 179 7.839 8.584 1.460 1.00 0.79 C ATOM 2256 C CYS B 179 7.581 9.093 0.044 1.00 0.77 C ATOM 2257 O CYS B 179 8.427 9.768 -0.542 1.00 0.88 O ATOM 2258 CB CYS B 179 6.987 9.323 2.494 1.00 0.92 C ATOM 2259 SG CYS B 179 6.820 8.436 4.087 1.00 1.34 S ATOM 0 H CYS B 179 9.766 9.422 1.386 1.00 0.78 H new ATOM 0 HA CYS B 179 7.539 7.536 1.481 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.427 10.303 2.679 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.994 9.493 2.078 1.00 0.92 H new ATOM 2264 N HIS B 180 6.422 8.746 -0.542 1.00 0.70 N ATOM 2265 CA HIS B 180 6.141 9.168 -1.907 1.00 0.75 C ATOM 2266 C HIS B 180 4.646 9.294 -2.152 1.00 0.69 C ATOM 2267 O HIS B 180 3.842 8.588 -1.549 1.00 0.66 O ATOM 2268 CB HIS B 180 6.764 8.154 -2.880 1.00 0.89 C ATOM 2269 CG HIS B 180 6.232 8.225 -4.278 1.00 0.94 C ATOM 2270 ND1 HIS B 180 6.429 9.311 -5.102 1.00 1.60 N ATOM 2271 CD2 HIS B 180 5.507 7.334 -4.996 1.00 1.70 C ATOM 2272 CE1 HIS B 180 5.847 9.086 -6.268 1.00 2.03 C ATOM 2273 NE2 HIS B 180 5.281 7.892 -6.228 1.00 2.10 N ATOM 0 H HIS B 180 5.690 8.191 -0.100 1.00 0.70 H new ATOM 0 HA HIS B 180 6.579 10.153 -2.070 1.00 0.75 H new ATOM 0 HB2 HIS B 180 7.842 8.311 -2.907 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.598 7.149 -2.492 1.00 0.89 H new ATOM 0 HD2 HIS B 180 5.170 6.364 -4.660 1.00 1.70 H new ATOM 0 HE1 HIS B 180 5.836 9.763 -7.110 1.00 2.03 H new ATOM 0 HE2 HIS B 180 4.761 7.457 -6.990 1.00 2.10 H new ATOM 2282 N GLU B 181 4.284 10.196 -3.052 1.00 0.75 N ATOM 2283 CA GLU B 181 2.889 10.409 -3.386 1.00 0.77 C ATOM 2284 C GLU B 181 2.281 9.138 -3.949 1.00 0.73 C ATOM 2285 O GLU B 181 2.930 8.404 -4.694 1.00 0.94 O ATOM 2286 CB GLU B 181 2.755 11.537 -4.412 1.00 0.93 C ATOM 2287 CG GLU B 181 2.373 12.875 -3.806 1.00 1.69 C ATOM 2288 CD GLU B 181 3.581 13.744 -3.518 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.992 14.506 -4.419 1.00 2.69 O ATOM 2290 OE2 GLU B 181 4.116 13.661 -2.394 1.00 3.06 O ATOM 0 H GLU B 181 4.938 10.790 -3.562 1.00 0.75 H new ATOM 0 HA GLU B 181 2.357 10.687 -2.476 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.700 11.646 -4.943 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.005 11.256 -5.151 1.00 0.93 H new ATOM 0 HG2 GLU B 181 1.704 13.401 -4.487 1.00 1.69 H new ATOM 0 HG3 GLU B 181 1.820 12.708 -2.882 1.00 1.69 H new ATOM 2297 N ASP B 182 1.042 8.871 -3.571 1.00 0.77 N ATOM 2298 CA ASP B 182 0.361 7.661 -4.034 1.00 0.79 C ATOM 2299 C ASP B 182 -1.101 7.944 -4.439 1.00 0.97 C ATOM 2300 O ASP B 182 -1.793 8.731 -3.797 1.00 1.22 O ATOM 2301 CB ASP B 182 0.441 6.612 -2.922 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.794 6.565 -2.050 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -1.857 6.148 -2.550 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -0.695 6.948 -0.868 1.00 2.06 O ATOM 0 H ASP B 182 0.488 9.464 -2.953 1.00 0.77 H new ATOM 0 HA ASP B 182 0.855 7.288 -4.931 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.598 5.631 -3.369 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.310 6.821 -2.298 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.572 7.348 -5.565 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.923 7.576 -6.095 1.00 1.41 C ATOM 2311 C PRO B 183 -4.025 6.709 -5.473 1.00 1.28 C ATOM 2312 O PRO B 183 -5.168 7.155 -5.380 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.786 7.256 -7.591 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.355 6.854 -7.802 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.820 6.466 -6.454 1.00 1.41 C ATOM 0 HA PRO B 183 -3.241 8.593 -5.867 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.463 6.453 -7.881 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -3.041 8.123 -8.200 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.285 6.021 -8.502 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.779 7.676 -8.226 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.998 5.414 -6.232 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.255 6.630 -6.379 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.714 5.483 -5.055 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.742 4.631 -4.449 1.00 1.18 C ATOM 2325 C ALA B 184 -5.278 5.335 -3.218 1.00 1.22 C ATOM 2326 O ALA B 184 -6.486 5.509 -3.047 1.00 1.56 O ATOM 2327 CB ALA B 184 -4.191 3.258 -4.102 1.00 1.21 C ATOM 0 H ALA B 184 -2.786 5.064 -5.120 1.00 1.13 H new ATOM 0 HA ALA B 184 -5.550 4.470 -5.163 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.979 2.652 -3.655 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.829 2.772 -5.008 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -3.369 3.364 -3.394 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.347 5.812 -2.416 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.659 6.603 -1.243 1.00 1.23 C ATOM 2335 C CYS B 185 -4.515 8.042 -1.671 1.00 1.50 C ATOM 2336 O CYS B 185 -3.564 8.700 -1.298 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.686 6.304 -0.098 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.754 4.604 0.548 1.00 1.46 S ATOM 0 H CYS B 185 -3.349 5.661 -2.560 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.661 6.378 -0.877 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.671 6.505 -0.442 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.888 6.995 0.720 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.436 8.537 -2.484 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.299 9.908 -2.957 1.00 1.92 C ATOM 2345 C ASP B 186 -6.064 10.848 -2.079 1.00 1.82 C ATOM 2346 O ASP B 186 -5.518 11.810 -1.540 1.00 2.28 O ATOM 2347 CB ASP B 186 -5.785 10.058 -4.398 1.00 2.44 C ATOM 2348 CG ASP B 186 -4.864 10.931 -5.228 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -4.663 12.106 -4.855 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -4.346 10.441 -6.253 1.00 3.49 O ATOM 0 H ASP B 186 -6.257 8.034 -2.820 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.238 10.155 -2.921 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -5.860 9.073 -4.858 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -6.787 10.487 -4.398 1.00 2.44 H new ATOM 2355 N PRO B 187 -7.355 10.599 -1.944 1.00 1.73 N ATOM 2356 CA PRO B 187 -8.222 11.421 -1.170 1.00 2.05 C ATOM 2357 C PRO B 187 -8.581 10.815 0.163 1.00 2.17 C ATOM 2358 O PRO B 187 -8.426 9.618 0.412 1.00 2.31 O ATOM 2359 CB PRO B 187 -9.464 11.470 -2.069 1.00 2.47 C ATOM 2360 CG PRO B 187 -9.430 10.196 -2.876 1.00 2.58 C ATOM 2361 CD PRO B 187 -8.122 9.512 -2.559 1.00 1.99 C ATOM 0 HA PRO B 187 -7.776 12.384 -0.920 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -10.376 11.534 -1.475 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -9.444 12.346 -2.718 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -10.273 9.554 -2.621 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -9.505 10.412 -3.942 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -8.255 8.670 -1.879 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -7.636 9.125 -3.454 1.00 1.99 H new ATOM 2369 N GLU B 188 -9.160 11.668 0.955 1.00 2.54 N ATOM 2370 CA GLU B 188 -9.729 11.425 2.245 1.00 3.18 C ATOM 2371 C GLU B 188 -11.034 10.666 2.062 1.00 3.47 C ATOM 2372 O GLU B 188 -12.115 11.019 2.534 1.00 4.08 O ATOM 2373 CB GLU B 188 -10.018 12.757 2.945 1.00 3.61 C ATOM 2374 CG GLU B 188 -11.105 13.571 2.251 1.00 3.52 C ATOM 2375 CD GLU B 188 -11.002 15.058 2.523 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -11.490 15.503 3.583 1.00 4.70 O ATOM 2377 OE2 GLU B 188 -10.441 15.779 1.671 1.00 4.57 O ATOM 0 H GLU B 188 -9.254 12.647 0.686 1.00 2.54 H new ATOM 0 HA GLU B 188 -9.033 10.846 2.851 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -10.319 12.562 3.974 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -9.102 13.346 2.987 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -11.048 13.400 1.176 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -12.082 13.215 2.579 1.00 3.52 H new ATOM 2384 N ALA B 189 -10.776 9.489 1.462 1.00 3.25 N ATOM 2385 CA ALA B 189 -11.718 8.416 1.250 1.00 3.84 C ATOM 2386 C ALA B 189 -11.614 7.480 2.474 1.00 4.73 C ATOM 2387 O ALA B 189 -11.822 6.269 2.369 1.00 5.24 O ATOM 2388 CB ALA B 189 -11.345 7.669 -0.042 1.00 3.45 C ATOM 0 H ALA B 189 -9.849 9.266 1.099 1.00 3.25 H new ATOM 0 HA ALA B 189 -12.738 8.785 1.144 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -12.052 6.856 -0.210 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -11.380 8.360 -0.885 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -10.339 7.261 0.051 1.00 3.45 H new ATOM 2394 N ALA B 190 -11.267 8.073 3.630 1.00 5.07 N ATOM 2395 CA ALA B 190 -11.092 7.365 4.891 1.00 6.09 C ATOM 2396 C ALA B 190 -12.405 7.072 5.625 1.00 6.88 C ATOM 2397 O ALA B 190 -13.455 7.651 5.346 1.00 6.93 O ATOM 2398 CB ALA B 190 -10.158 8.158 5.797 1.00 6.41 C ATOM 0 H ALA B 190 -11.099 9.076 3.705 1.00 5.07 H new ATOM 0 HA ALA B 190 -10.659 6.396 4.644 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -10.028 7.627 6.740 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -9.190 8.274 5.310 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -10.587 9.141 5.990 1.00 6.41 H new ATOM 2404 N PHE B 191 -12.286 6.139 6.580 1.00 7.61 N ATOM 2405 CA PHE B 191 -13.399 5.682 7.405 1.00 8.50 C ATOM 2406 C PHE B 191 -13.666 6.640 8.562 1.00 9.34 C ATOM 2407 O PHE B 191 -12.896 6.711 9.520 1.00 9.88 O ATOM 2408 CB PHE B 191 -13.103 4.266 7.940 1.00 8.96 C ATOM 2409 CG PHE B 191 -12.024 4.192 8.999 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -10.684 4.366 8.673 1.00 9.37 C ATOM 2411 CD2 PHE B 191 -12.354 3.932 10.321 1.00 9.60 C ATOM 2412 CE1 PHE B 191 -9.701 4.284 9.644 1.00 9.84 C ATOM 2413 CE2 PHE B 191 -11.374 3.851 11.295 1.00 10.04 C ATOM 2414 CZ PHE B 191 -10.046 4.025 10.956 1.00 10.14 C ATOM 0 H PHE B 191 -11.402 5.679 6.799 1.00 7.61 H new ATOM 0 HA PHE B 191 -14.295 5.655 6.785 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -14.023 3.850 8.351 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -12.813 3.631 7.103 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -10.406 4.568 7.649 1.00 9.37 H new ATOM 0 HD2 PHE B 191 -13.389 3.791 10.594 1.00 9.60 H new ATOM 0 HE1 PHE B 191 -8.664 4.423 9.376 1.00 9.84 H new ATOM 0 HE2 PHE B 191 -11.648 3.652 12.321 1.00 10.04 H new ATOM 0 HZ PHE B 191 -9.280 3.959 11.715 1.00 10.14 H new ATOM 2424 N SER B 192 -14.770 7.372 8.461 1.00 9.55 N ATOM 2425 CA SER B 192 -15.157 8.329 9.489 1.00 10.42 C ATOM 2426 C SER B 192 -15.957 7.645 10.593 1.00 11.18 C ATOM 2427 O SER B 192 -15.644 7.876 11.780 1.00 11.41 O ATOM 2428 CB SER B 192 -15.984 9.456 8.867 1.00 10.44 C ATOM 2429 OG SER B 192 -15.163 10.547 8.490 1.00 10.49 O ATOM 2430 OXT SER B 192 -16.890 6.884 10.261 1.00 11.70 O ATOM 0 H SER B 192 -15.415 7.320 7.673 1.00 9.55 H new ATOM 0 HA SER B 192 -14.251 8.747 9.929 1.00 10.42 H new ATOM 0 HB2 SER B 192 -16.517 9.080 7.994 1.00 10.44 H new ATOM 0 HB3 SER B 192 -16.737 9.793 9.579 1.00 10.44 H new ATOM 0 HG SER B 192 -15.717 11.252 8.094 1.00 10.49 H new TER 2436 SER B 192