USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1184 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 147 MET CE :methyl -129:sc= -0.719 (180deg=-0.791) USER MOD Set 2.1: A 80 THR OG1 : rot 120:sc= 0.143 USER MOD Set 2.2: A 109 HIS : no HD1:sc= -0.431 K(o=-0.29,f=-1.7!) USER MOD Single : A 4 SER OG : rot -102:sc= 0.272 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= 0.679 (180deg=-0.62) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -1.58! USER MOD Single : A 25 LYS NZ :NH3+ 144:sc= -0.848 (180deg=-2.63!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -153:sc= 0.119 USER MOD Single : A 65 MET CE :methyl 159:sc= 0 (180deg=-0.605) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0844 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.000246 X(o=-0.00025,f=-0.2) USER MOD Single : A 81 THR OG1 : rot 114:sc= 0.163 USER MOD Single : A 87 HIS : no HD1:sc= 0.0404 K(o=0.53,f=-3.7!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 108 THR OG1 : rot 40:sc= -0.0704 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 121 THR OG1 : rot 74:sc= 0.464 USER MOD Single : A 123 MET CE :methyl -112:sc= -0.657 (180deg=-1.95) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.134 K(o=-0.13,f=-3.4!) USER MOD Single : A 135 MET CE :methyl 169:sc= -0.621 (180deg=-0.85) USER MOD Single : A 136 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.5!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 158:sc= -0.142 (180deg=-1.38) USER MOD Single : A 141 MET CE :methyl -166:sc= -0.0247 (180deg=-0.269) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.35) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.887 0.641 -9.130 1.00 41.41 N ATOM 18 CA VAL A 2 -8.717 -0.056 -9.675 1.00 72.22 C ATOM 19 C VAL A 2 -9.009 -0.452 -11.137 1.00 3.13 C ATOM 20 O VAL A 2 -9.709 -1.435 -11.408 1.00 15.25 O ATOM 21 CB VAL A 2 -8.344 -1.306 -8.814 1.00 60.43 C ATOM 22 CG1 VAL A 2 -7.135 -2.064 -9.418 1.00 53.23 C ATOM 23 CG2 VAL A 2 -8.064 -0.893 -7.349 1.00 50.11 C ATOM 0 HA VAL A 2 -7.857 0.612 -9.646 1.00 72.22 H new ATOM 0 HB VAL A 2 -9.195 -1.986 -8.821 1.00 60.43 H new ATOM 0 HG11 VAL A 2 -6.900 -2.928 -8.797 1.00 53.23 H new ATOM 0 HG12 VAL A 2 -7.382 -2.398 -10.426 1.00 53.23 H new ATOM 0 HG13 VAL A 2 -6.272 -1.400 -9.457 1.00 53.23 H new ATOM 0 HG21 VAL A 2 -7.806 -1.776 -6.765 1.00 50.11 H new ATOM 0 HG22 VAL A 2 -7.235 -0.186 -7.322 1.00 50.11 H new ATOM 0 HG23 VAL A 2 -8.953 -0.426 -6.926 1.00 50.11 H new ATOM 33 N VAL A 3 -8.502 0.362 -12.068 1.00 63.32 N ATOM 34 CA VAL A 3 -8.815 0.248 -13.511 1.00 63.21 C ATOM 35 C VAL A 3 -7.920 -0.784 -14.248 1.00 72.25 C ATOM 36 O VAL A 3 -8.236 -1.181 -15.378 1.00 75.41 O ATOM 37 CB VAL A 3 -8.715 1.658 -14.199 1.00 75.24 C ATOM 38 CG1 VAL A 3 -9.796 2.620 -13.637 1.00 32.42 C ATOM 39 CG2 VAL A 3 -7.299 2.264 -14.026 1.00 13.04 C ATOM 0 H VAL A 3 -7.860 1.124 -11.850 1.00 63.32 H new ATOM 0 HA VAL A 3 -9.837 -0.123 -13.585 1.00 63.21 H new ATOM 0 HB VAL A 3 -8.895 1.525 -15.266 1.00 75.24 H new ATOM 0 HG11 VAL A 3 -9.709 3.590 -14.126 1.00 32.42 H new ATOM 0 HG12 VAL A 3 -10.786 2.205 -13.826 1.00 32.42 H new ATOM 0 HG13 VAL A 3 -9.653 2.741 -12.563 1.00 32.42 H new ATOM 0 HG21 VAL A 3 -7.259 3.239 -14.512 1.00 13.04 H new ATOM 0 HG22 VAL A 3 -7.079 2.378 -12.964 1.00 13.04 H new ATOM 0 HG23 VAL A 3 -6.562 1.602 -14.480 1.00 13.04 H new ATOM 49 N SER A 4 -6.803 -1.199 -13.611 1.00 61.54 N ATOM 50 CA SER A 4 -5.912 -2.262 -14.137 1.00 43.41 C ATOM 51 C SER A 4 -5.094 -2.902 -12.996 1.00 61.40 C ATOM 52 O SER A 4 -4.642 -2.205 -12.078 1.00 55.21 O ATOM 53 CB SER A 4 -4.946 -1.706 -15.215 1.00 32.04 C ATOM 54 OG SER A 4 -4.083 -2.719 -15.715 1.00 22.15 O ATOM 0 H SER A 4 -6.493 -0.810 -12.721 1.00 61.54 H new ATOM 0 HA SER A 4 -6.547 -3.021 -14.595 1.00 43.41 H new ATOM 0 HB2 SER A 4 -5.522 -1.280 -16.036 1.00 32.04 H new ATOM 0 HB3 SER A 4 -4.351 -0.898 -14.790 1.00 32.04 H new ATOM 0 HG SER A 4 -3.198 -2.626 -15.305 1.00 22.15 H new ATOM 60 N VAL A 5 -4.919 -4.236 -13.060 1.00 60.43 N ATOM 61 CA VAL A 5 -4.078 -5.003 -12.109 1.00 33.50 C ATOM 62 C VAL A 5 -2.991 -5.769 -12.890 1.00 1.33 C ATOM 63 O VAL A 5 -3.266 -6.807 -13.506 1.00 52.44 O ATOM 64 CB VAL A 5 -4.926 -6.026 -11.252 1.00 32.33 C ATOM 65 CG1 VAL A 5 -4.051 -6.755 -10.195 1.00 23.21 C ATOM 66 CG2 VAL A 5 -6.122 -5.328 -10.581 1.00 34.01 C ATOM 0 H VAL A 5 -5.357 -4.818 -13.774 1.00 60.43 H new ATOM 0 HA VAL A 5 -3.625 -4.290 -11.420 1.00 33.50 H new ATOM 0 HB VAL A 5 -5.311 -6.780 -11.938 1.00 32.33 H new ATOM 0 HG11 VAL A 5 -4.670 -7.449 -9.627 1.00 23.21 H new ATOM 0 HG12 VAL A 5 -3.256 -7.306 -10.698 1.00 23.21 H new ATOM 0 HG13 VAL A 5 -3.612 -6.022 -9.518 1.00 23.21 H new ATOM 0 HG21 VAL A 5 -6.688 -6.055 -9.998 1.00 34.01 H new ATOM 0 HG22 VAL A 5 -5.760 -4.538 -9.923 1.00 34.01 H new ATOM 0 HG23 VAL A 5 -6.767 -4.896 -11.346 1.00 34.01 H new ATOM 76 N ASP A 6 -1.771 -5.232 -12.893 1.00 34.42 N ATOM 77 CA ASP A 6 -0.612 -5.866 -13.549 1.00 62.34 C ATOM 78 C ASP A 6 0.216 -6.648 -12.502 1.00 63.31 C ATOM 79 O ASP A 6 0.642 -6.079 -11.498 1.00 61.40 O ATOM 80 CB ASP A 6 0.259 -4.778 -14.219 1.00 55.21 C ATOM 81 CG ASP A 6 -0.530 -3.903 -15.209 1.00 72.45 C ATOM 82 OD1 ASP A 6 -1.170 -2.917 -14.770 1.00 45.02 O ATOM 83 OD2 ASP A 6 -0.513 -4.192 -16.423 1.00 3.00 O ATOM 0 H ASP A 6 -1.551 -4.344 -12.442 1.00 34.42 H new ATOM 0 HA ASP A 6 -0.959 -6.562 -14.312 1.00 62.34 H new ATOM 0 HB2 ASP A 6 0.694 -4.143 -13.448 1.00 55.21 H new ATOM 0 HB3 ASP A 6 1.087 -5.255 -14.744 1.00 55.21 H new ATOM 88 N LYS A 7 0.419 -7.952 -12.732 1.00 44.21 N ATOM 89 CA LYS A 7 1.211 -8.825 -11.838 1.00 62.10 C ATOM 90 C LYS A 7 2.160 -9.695 -12.687 1.00 15.43 C ATOM 91 O LYS A 7 1.716 -10.643 -13.342 1.00 44.32 O ATOM 92 CB LYS A 7 0.255 -9.707 -10.986 1.00 70.42 C ATOM 93 CG LYS A 7 0.950 -10.672 -9.990 1.00 3.54 C ATOM 94 CD LYS A 7 -0.055 -11.606 -9.272 1.00 20.32 C ATOM 95 CE LYS A 7 0.628 -12.644 -8.361 1.00 61.34 C ATOM 96 NZ LYS A 7 -0.339 -13.643 -7.852 1.00 74.32 N ATOM 0 H LYS A 7 0.040 -8.438 -13.544 1.00 44.21 H new ATOM 0 HA LYS A 7 1.810 -8.219 -11.158 1.00 62.10 H new ATOM 0 HB2 LYS A 7 -0.413 -9.053 -10.425 1.00 70.42 H new ATOM 0 HB3 LYS A 7 -0.367 -10.295 -11.661 1.00 70.42 H new ATOM 0 HG2 LYS A 7 1.684 -11.275 -10.525 1.00 3.54 H new ATOM 0 HG3 LYS A 7 1.496 -10.091 -9.247 1.00 3.54 H new ATOM 0 HD2 LYS A 7 -0.740 -11.003 -8.676 1.00 20.32 H new ATOM 0 HD3 LYS A 7 -0.655 -12.126 -10.018 1.00 20.32 H new ATOM 0 HE2 LYS A 7 1.418 -13.151 -8.915 1.00 61.34 H new ATOM 0 HE3 LYS A 7 1.103 -12.136 -7.522 1.00 61.34 H new ATOM 0 HZ1 LYS A 7 0.169 -14.506 -7.570 1.00 74.32 H new ATOM 0 HZ2 LYS A 7 -0.841 -13.252 -7.029 1.00 74.32 H new ATOM 0 HZ3 LYS A 7 -1.025 -13.874 -8.599 1.00 74.32 H new ATOM 110 N ASP A 8 3.457 -9.345 -12.707 1.00 34.55 N ATOM 111 CA ASP A 8 4.483 -10.107 -13.456 1.00 4.14 C ATOM 112 C ASP A 8 5.337 -10.947 -12.471 1.00 21.40 C ATOM 113 O ASP A 8 6.136 -10.408 -11.697 1.00 11.55 O ATOM 114 CB ASP A 8 5.375 -9.153 -14.299 1.00 73.34 C ATOM 115 CG ASP A 8 6.061 -9.873 -15.481 1.00 52.53 C ATOM 116 OD1 ASP A 8 6.925 -10.747 -15.248 1.00 22.43 O ATOM 117 OD2 ASP A 8 5.722 -9.589 -16.647 1.00 4.03 O ATOM 0 H ASP A 8 3.826 -8.534 -12.211 1.00 34.55 H new ATOM 0 HA ASP A 8 3.984 -10.785 -14.148 1.00 4.14 H new ATOM 0 HB2 ASP A 8 4.765 -8.334 -14.681 1.00 73.34 H new ATOM 0 HB3 ASP A 8 6.136 -8.711 -13.656 1.00 73.34 H new ATOM 122 N VAL A 9 5.160 -12.273 -12.530 1.00 10.02 N ATOM 123 CA VAL A 9 5.811 -13.228 -11.607 1.00 25.53 C ATOM 124 C VAL A 9 7.297 -13.476 -11.984 1.00 2.44 C ATOM 125 O VAL A 9 8.126 -13.749 -11.109 1.00 1.05 O ATOM 126 CB VAL A 9 5.005 -14.582 -11.564 1.00 44.31 C ATOM 127 CG1 VAL A 9 5.601 -15.576 -10.539 1.00 44.23 C ATOM 128 CG2 VAL A 9 3.500 -14.328 -11.270 1.00 21.11 C ATOM 0 H VAL A 9 4.559 -12.722 -13.221 1.00 10.02 H new ATOM 0 HA VAL A 9 5.805 -12.785 -10.611 1.00 25.53 H new ATOM 0 HB VAL A 9 5.091 -15.037 -12.551 1.00 44.31 H new ATOM 0 HG11 VAL A 9 5.016 -16.496 -10.541 1.00 44.23 H new ATOM 0 HG12 VAL A 9 6.633 -15.802 -10.809 1.00 44.23 H new ATOM 0 HG13 VAL A 9 5.575 -15.132 -9.544 1.00 44.23 H new ATOM 0 HG21 VAL A 9 2.968 -15.279 -11.246 1.00 21.11 H new ATOM 0 HG22 VAL A 9 3.397 -13.830 -10.306 1.00 21.11 H new ATOM 0 HG23 VAL A 9 3.078 -13.696 -12.052 1.00 21.11 H new ATOM 138 N GLU A 10 7.626 -13.358 -13.281 1.00 31.50 N ATOM 139 CA GLU A 10 9.014 -13.540 -13.774 1.00 2.24 C ATOM 140 C GLU A 10 9.903 -12.348 -13.348 1.00 12.13 C ATOM 141 O GLU A 10 11.008 -12.528 -12.834 1.00 74.34 O ATOM 142 CB GLU A 10 9.025 -13.696 -15.321 1.00 11.43 C ATOM 143 CG GLU A 10 8.051 -14.762 -15.880 1.00 62.33 C ATOM 144 CD GLU A 10 8.246 -16.176 -15.293 1.00 42.23 C ATOM 145 OE1 GLU A 10 9.079 -16.941 -15.822 1.00 43.21 O ATOM 146 OE2 GLU A 10 7.566 -16.528 -14.300 1.00 5.01 O ATOM 0 H GLU A 10 6.952 -13.137 -14.014 1.00 31.50 H new ATOM 0 HA GLU A 10 9.419 -14.449 -13.330 1.00 2.24 H new ATOM 0 HB2 GLU A 10 8.782 -12.733 -15.770 1.00 11.43 H new ATOM 0 HB3 GLU A 10 10.037 -13.949 -15.638 1.00 11.43 H new ATOM 0 HG2 GLU A 10 7.028 -14.439 -15.685 1.00 62.33 H new ATOM 0 HG3 GLU A 10 8.169 -14.812 -16.962 1.00 62.33 H new ATOM 153 N ALA A 11 9.369 -11.134 -13.539 1.00 10.34 N ATOM 154 CA ALA A 11 10.048 -9.867 -13.182 1.00 61.34 C ATOM 155 C ALA A 11 9.869 -9.505 -11.684 1.00 65.51 C ATOM 156 O ALA A 11 10.400 -8.484 -11.238 1.00 11.13 O ATOM 157 CB ALA A 11 9.527 -8.730 -14.083 1.00 33.43 C ATOM 0 H ALA A 11 8.445 -10.995 -13.949 1.00 10.34 H new ATOM 0 HA ALA A 11 11.117 -10.002 -13.346 1.00 61.34 H new ATOM 0 HB1 ALA A 11 10.027 -7.798 -13.819 1.00 33.43 H new ATOM 0 HB2 ALA A 11 9.732 -8.969 -15.126 1.00 33.43 H new ATOM 0 HB3 ALA A 11 8.452 -8.617 -13.941 1.00 33.43 H new ATOM 163 N LEU A 12 9.118 -10.349 -10.928 1.00 5.10 N ATOM 164 CA LEU A 12 8.864 -10.179 -9.464 1.00 10.21 C ATOM 165 C LEU A 12 8.271 -8.786 -9.109 1.00 72.45 C ATOM 166 O LEU A 12 8.582 -8.209 -8.061 1.00 43.11 O ATOM 167 CB LEU A 12 10.172 -10.455 -8.662 1.00 51.12 C ATOM 168 CG LEU A 12 10.844 -11.843 -8.908 1.00 51.10 C ATOM 169 CD1 LEU A 12 12.202 -11.934 -8.186 1.00 65.53 C ATOM 170 CD2 LEU A 12 9.910 -13.000 -8.488 1.00 3.23 C ATOM 0 H LEU A 12 8.666 -11.176 -11.318 1.00 5.10 H new ATOM 0 HA LEU A 12 8.107 -10.909 -9.179 1.00 10.21 H new ATOM 0 HB2 LEU A 12 10.895 -9.675 -8.904 1.00 51.12 H new ATOM 0 HB3 LEU A 12 9.949 -10.364 -7.599 1.00 51.12 H new ATOM 0 HG LEU A 12 11.027 -11.939 -9.978 1.00 51.10 H new ATOM 0 HD11 LEU A 12 12.649 -12.910 -8.373 1.00 65.53 H new ATOM 0 HD12 LEU A 12 12.865 -11.154 -8.559 1.00 65.53 H new ATOM 0 HD13 LEU A 12 12.054 -11.803 -7.114 1.00 65.53 H new ATOM 0 HD21 LEU A 12 10.406 -13.953 -8.671 1.00 3.23 H new ATOM 0 HD22 LEU A 12 9.675 -12.911 -7.427 1.00 3.23 H new ATOM 0 HD23 LEU A 12 8.989 -12.953 -9.069 1.00 3.23 H new ATOM 182 N SER A 13 7.411 -8.258 -9.991 1.00 21.04 N ATOM 183 CA SER A 13 6.741 -6.950 -9.792 1.00 53.33 C ATOM 184 C SER A 13 5.215 -7.113 -9.732 1.00 14.12 C ATOM 185 O SER A 13 4.639 -7.994 -10.378 1.00 54.14 O ATOM 186 CB SER A 13 7.121 -5.961 -10.922 1.00 22.52 C ATOM 187 OG SER A 13 6.827 -6.488 -12.210 1.00 60.04 O ATOM 0 H SER A 13 7.155 -8.719 -10.864 1.00 21.04 H new ATOM 0 HA SER A 13 7.084 -6.546 -8.839 1.00 53.33 H new ATOM 0 HB2 SER A 13 6.581 -5.024 -10.781 1.00 22.52 H new ATOM 0 HB3 SER A 13 8.184 -5.729 -10.859 1.00 22.52 H new ATOM 0 HG SER A 13 7.079 -5.835 -12.896 1.00 60.04 H new ATOM 193 N PHE A 14 4.571 -6.252 -8.938 1.00 3.43 N ATOM 194 CA PHE A 14 3.107 -6.167 -8.852 1.00 31.41 C ATOM 195 C PHE A 14 2.669 -4.679 -8.863 1.00 34.44 C ATOM 196 O PHE A 14 2.764 -3.988 -7.862 1.00 15.31 O ATOM 197 CB PHE A 14 2.634 -6.906 -7.567 1.00 12.01 C ATOM 198 CG PHE A 14 1.149 -6.767 -7.272 1.00 31.21 C ATOM 199 CD1 PHE A 14 0.197 -7.192 -8.199 1.00 0.23 C ATOM 200 CD2 PHE A 14 0.704 -6.198 -6.080 1.00 1.33 C ATOM 201 CE1 PHE A 14 -1.148 -7.052 -7.942 1.00 3.13 C ATOM 202 CE2 PHE A 14 -0.639 -6.063 -5.827 1.00 13.02 C ATOM 203 CZ PHE A 14 -1.566 -6.486 -6.759 1.00 71.24 C ATOM 0 H PHE A 14 5.053 -5.589 -8.332 1.00 3.43 H new ATOM 0 HA PHE A 14 2.643 -6.650 -9.712 1.00 31.41 H new ATOM 0 HB2 PHE A 14 2.875 -7.965 -7.662 1.00 12.01 H new ATOM 0 HB3 PHE A 14 3.198 -6.526 -6.715 1.00 12.01 H new ATOM 0 HD1 PHE A 14 0.519 -7.636 -9.129 1.00 0.23 H new ATOM 0 HD2 PHE A 14 1.423 -5.860 -5.348 1.00 1.33 H new ATOM 0 HE1 PHE A 14 -1.875 -7.386 -8.668 1.00 3.13 H new ATOM 0 HE2 PHE A 14 -0.971 -5.625 -4.897 1.00 13.02 H new ATOM 0 HZ PHE A 14 -2.621 -6.372 -6.559 1.00 71.24 H new ATOM 213 N SER A 15 2.149 -4.210 -10.008 1.00 33.02 N ATOM 214 CA SER A 15 1.756 -2.793 -10.210 1.00 51.23 C ATOM 215 C SER A 15 0.221 -2.645 -10.348 1.00 21.23 C ATOM 216 O SER A 15 -0.387 -3.215 -11.248 1.00 12.33 O ATOM 217 CB SER A 15 2.496 -2.211 -11.441 1.00 51.52 C ATOM 218 OG SER A 15 2.276 -2.976 -12.606 1.00 51.42 O ATOM 0 H SER A 15 1.986 -4.798 -10.825 1.00 33.02 H new ATOM 0 HA SER A 15 2.050 -2.223 -9.329 1.00 51.23 H new ATOM 0 HB2 SER A 15 2.163 -1.187 -11.612 1.00 51.52 H new ATOM 0 HB3 SER A 15 3.565 -2.168 -11.233 1.00 51.52 H new ATOM 0 HG SER A 15 2.759 -2.573 -13.358 1.00 51.42 H new ATOM 224 N ILE A 16 -0.393 -1.864 -9.439 1.00 3.44 N ATOM 225 CA ILE A 16 -1.844 -1.565 -9.458 1.00 21.41 C ATOM 226 C ILE A 16 -2.077 -0.152 -10.008 1.00 42.05 C ATOM 227 O ILE A 16 -1.592 0.817 -9.435 1.00 42.41 O ATOM 228 CB ILE A 16 -2.464 -1.650 -8.007 1.00 21.53 C ATOM 229 CG1 ILE A 16 -2.372 -3.102 -7.462 1.00 62.12 C ATOM 230 CG2 ILE A 16 -3.934 -1.129 -7.956 1.00 51.31 C ATOM 231 CD1 ILE A 16 -2.830 -3.257 -6.024 1.00 11.41 C ATOM 0 H ILE A 16 0.102 -1.419 -8.666 1.00 3.44 H new ATOM 0 HA ILE A 16 -2.328 -2.305 -10.095 1.00 21.41 H new ATOM 0 HB ILE A 16 -1.876 -0.994 -7.366 1.00 21.53 H new ATOM 0 HG12 ILE A 16 -2.973 -3.755 -8.095 1.00 62.12 H new ATOM 0 HG13 ILE A 16 -1.340 -3.443 -7.542 1.00 62.12 H new ATOM 0 HG21 ILE A 16 -4.313 -1.209 -6.937 1.00 51.31 H new ATOM 0 HG22 ILE A 16 -3.962 -0.086 -8.273 1.00 51.31 H new ATOM 0 HG23 ILE A 16 -4.555 -1.727 -8.622 1.00 51.31 H new ATOM 0 HD11 ILE A 16 -2.734 -4.300 -5.722 1.00 11.41 H new ATOM 0 HD12 ILE A 16 -2.214 -2.633 -5.377 1.00 11.41 H new ATOM 0 HD13 ILE A 16 -3.872 -2.949 -5.939 1.00 11.41 H new ATOM 243 N VAL A 17 -2.828 -0.049 -11.108 1.00 54.51 N ATOM 244 CA VAL A 17 -3.237 1.242 -11.688 1.00 14.41 C ATOM 245 C VAL A 17 -4.686 1.534 -11.247 1.00 2.21 C ATOM 246 O VAL A 17 -5.600 0.754 -11.543 1.00 54.31 O ATOM 247 CB VAL A 17 -3.136 1.225 -13.255 1.00 22.13 C ATOM 248 CG1 VAL A 17 -3.473 2.617 -13.860 1.00 50.02 C ATOM 249 CG2 VAL A 17 -1.739 0.735 -13.706 1.00 72.24 C ATOM 0 H VAL A 17 -3.172 -0.858 -11.626 1.00 54.51 H new ATOM 0 HA VAL A 17 -2.567 2.024 -11.331 1.00 14.41 H new ATOM 0 HB VAL A 17 -3.878 0.522 -13.634 1.00 22.13 H new ATOM 0 HG11 VAL A 17 -3.394 2.571 -14.946 1.00 50.02 H new ATOM 0 HG12 VAL A 17 -4.489 2.898 -13.582 1.00 50.02 H new ATOM 0 HG13 VAL A 17 -2.773 3.359 -13.477 1.00 50.02 H new ATOM 0 HG21 VAL A 17 -1.689 0.730 -14.795 1.00 72.24 H new ATOM 0 HG22 VAL A 17 -0.974 1.403 -13.311 1.00 72.24 H new ATOM 0 HG23 VAL A 17 -1.569 -0.274 -13.331 1.00 72.24 H new ATOM 259 N ALA A 18 -4.890 2.646 -10.531 1.00 54.44 N ATOM 260 CA ALA A 18 -6.200 2.998 -9.959 1.00 51.02 C ATOM 261 C ALA A 18 -6.492 4.505 -10.107 1.00 71.21 C ATOM 262 O ALA A 18 -5.721 5.334 -9.650 1.00 14.44 O ATOM 263 CB ALA A 18 -6.237 2.568 -8.481 1.00 72.43 C ATOM 0 H ALA A 18 -4.157 3.326 -10.331 1.00 54.44 H new ATOM 0 HA ALA A 18 -6.980 2.469 -10.507 1.00 51.02 H new ATOM 0 HB1 ALA A 18 -7.205 2.826 -8.051 1.00 72.43 H new ATOM 0 HB2 ALA A 18 -6.084 1.491 -8.411 1.00 72.43 H new ATOM 0 HB3 ALA A 18 -5.448 3.082 -7.933 1.00 72.43 H new ATOM 269 N GLU A 19 -7.644 4.848 -10.708 1.00 33.02 N ATOM 270 CA GLU A 19 -8.054 6.254 -10.946 1.00 4.32 C ATOM 271 C GLU A 19 -9.143 6.682 -9.941 1.00 15.14 C ATOM 272 O GLU A 19 -10.084 5.920 -9.674 1.00 73.20 O ATOM 273 CB GLU A 19 -8.574 6.418 -12.395 1.00 10.14 C ATOM 274 CG GLU A 19 -7.569 6.010 -13.493 1.00 42.31 C ATOM 275 CD GLU A 19 -8.119 6.198 -14.920 1.00 54.31 C ATOM 276 OE1 GLU A 19 -9.246 5.729 -15.203 1.00 72.50 O ATOM 277 OE2 GLU A 19 -7.452 6.842 -15.757 1.00 0.20 O ATOM 0 H GLU A 19 -8.321 4.163 -11.045 1.00 33.02 H new ATOM 0 HA GLU A 19 -7.184 6.895 -10.805 1.00 4.32 H new ATOM 0 HB2 GLU A 19 -9.479 5.822 -12.511 1.00 10.14 H new ATOM 0 HB3 GLU A 19 -8.856 7.459 -12.549 1.00 10.14 H new ATOM 0 HG2 GLU A 19 -6.659 6.600 -13.381 1.00 42.31 H new ATOM 0 HG3 GLU A 19 -7.291 4.965 -13.352 1.00 42.31 H new ATOM 284 N PHE A 20 -9.004 7.900 -9.388 1.00 53.11 N ATOM 285 CA PHE A 20 -9.934 8.457 -8.375 1.00 2.23 C ATOM 286 C PHE A 20 -10.283 9.923 -8.705 1.00 53.00 C ATOM 287 O PHE A 20 -9.411 10.699 -9.112 1.00 61.32 O ATOM 288 CB PHE A 20 -9.304 8.362 -6.960 1.00 72.55 C ATOM 289 CG PHE A 20 -9.010 6.936 -6.510 1.00 0.42 C ATOM 290 CD1 PHE A 20 -10.029 6.122 -6.013 1.00 50.21 C ATOM 291 CD2 PHE A 20 -7.724 6.402 -6.600 1.00 42.45 C ATOM 292 CE1 PHE A 20 -9.771 4.823 -5.628 1.00 63.24 C ATOM 293 CE2 PHE A 20 -7.470 5.105 -6.210 1.00 41.12 C ATOM 294 CZ PHE A 20 -8.493 4.316 -5.727 1.00 54.44 C ATOM 0 H PHE A 20 -8.241 8.533 -9.629 1.00 53.11 H new ATOM 0 HA PHE A 20 -10.853 7.872 -8.392 1.00 2.23 H new ATOM 0 HB2 PHE A 20 -8.377 8.935 -6.946 1.00 72.55 H new ATOM 0 HB3 PHE A 20 -9.978 8.828 -6.241 1.00 72.55 H new ATOM 0 HD1 PHE A 20 -11.032 6.514 -5.929 1.00 50.21 H new ATOM 0 HD2 PHE A 20 -6.918 7.012 -6.980 1.00 42.45 H new ATOM 0 HE1 PHE A 20 -10.570 4.203 -5.249 1.00 63.24 H new ATOM 0 HE2 PHE A 20 -6.469 4.706 -6.283 1.00 41.12 H new ATOM 0 HZ PHE A 20 -8.292 3.299 -5.426 1.00 54.44 H new ATOM 304 N ASP A 21 -11.563 10.293 -8.513 1.00 2.32 N ATOM 305 CA ASP A 21 -12.075 11.642 -8.829 1.00 34.31 C ATOM 306 C ASP A 21 -11.736 12.655 -7.702 1.00 11.41 C ATOM 307 O ASP A 21 -12.535 12.890 -6.783 1.00 10.15 O ATOM 308 CB ASP A 21 -13.597 11.567 -9.094 1.00 11.41 C ATOM 309 CG ASP A 21 -13.943 10.622 -10.258 1.00 63.31 C ATOM 310 OD1 ASP A 21 -13.945 9.387 -10.052 1.00 4.24 O ATOM 311 OD2 ASP A 21 -14.206 11.103 -11.377 1.00 43.00 O ATOM 0 H ASP A 21 -12.273 9.666 -8.134 1.00 2.32 H new ATOM 0 HA ASP A 21 -11.583 12.005 -9.731 1.00 34.31 H new ATOM 0 HB2 ASP A 21 -14.104 11.228 -8.191 1.00 11.41 H new ATOM 0 HB3 ASP A 21 -13.974 12.565 -9.315 1.00 11.41 H new ATOM 316 N ALA A 22 -10.515 13.209 -7.801 1.00 43.24 N ATOM 317 CA ALA A 22 -9.940 14.214 -6.866 1.00 73.33 C ATOM 318 C ALA A 22 -8.548 14.647 -7.379 1.00 31.31 C ATOM 319 O ALA A 22 -7.997 14.005 -8.272 1.00 71.50 O ATOM 320 CB ALA A 22 -9.823 13.654 -5.429 1.00 55.21 C ATOM 0 H ALA A 22 -9.874 12.967 -8.556 1.00 43.24 H new ATOM 0 HA ALA A 22 -10.610 15.073 -6.831 1.00 73.33 H new ATOM 0 HB1 ALA A 22 -9.399 14.416 -4.775 1.00 55.21 H new ATOM 0 HB2 ALA A 22 -10.812 13.373 -5.066 1.00 55.21 H new ATOM 0 HB3 ALA A 22 -9.175 12.777 -5.432 1.00 55.21 H new ATOM 326 N ASP A 23 -7.954 15.701 -6.788 1.00 12.33 N ATOM 327 CA ASP A 23 -6.618 16.195 -7.223 1.00 54.32 C ATOM 328 C ASP A 23 -5.479 15.411 -6.533 1.00 34.13 C ATOM 329 O ASP A 23 -5.708 14.695 -5.550 1.00 21.44 O ATOM 330 CB ASP A 23 -6.472 17.712 -6.954 1.00 30.34 C ATOM 331 CG ASP A 23 -6.683 18.074 -5.480 1.00 42.31 C ATOM 332 OD1 ASP A 23 -7.836 18.331 -5.082 1.00 72.13 O ATOM 333 OD2 ASP A 23 -5.702 18.077 -4.709 1.00 51.21 O ATOM 0 H ASP A 23 -8.366 16.227 -6.017 1.00 12.33 H new ATOM 0 HA ASP A 23 -6.541 16.029 -8.297 1.00 54.32 H new ATOM 0 HB2 ASP A 23 -5.480 18.038 -7.266 1.00 30.34 H new ATOM 0 HB3 ASP A 23 -7.193 18.256 -7.564 1.00 30.34 H new ATOM 338 N VAL A 24 -4.255 15.593 -7.054 1.00 62.52 N ATOM 339 CA VAL A 24 -3.039 14.884 -6.597 1.00 70.03 C ATOM 340 C VAL A 24 -2.758 15.080 -5.082 1.00 31.41 C ATOM 341 O VAL A 24 -2.350 14.142 -4.405 1.00 32.42 O ATOM 342 CB VAL A 24 -1.797 15.350 -7.446 1.00 33.04 C ATOM 343 CG1 VAL A 24 -0.490 14.637 -7.022 1.00 63.34 C ATOM 344 CG2 VAL A 24 -2.045 15.136 -8.954 1.00 15.11 C ATOM 0 H VAL A 24 -4.075 16.246 -7.817 1.00 62.52 H new ATOM 0 HA VAL A 24 -3.214 13.819 -6.748 1.00 70.03 H new ATOM 0 HB VAL A 24 -1.672 16.415 -7.251 1.00 33.04 H new ATOM 0 HG11 VAL A 24 0.335 14.994 -7.638 1.00 63.34 H new ATOM 0 HG12 VAL A 24 -0.281 14.853 -5.974 1.00 63.34 H new ATOM 0 HG13 VAL A 24 -0.603 13.561 -7.155 1.00 63.34 H new ATOM 0 HG21 VAL A 24 -1.172 15.466 -9.517 1.00 15.11 H new ATOM 0 HG22 VAL A 24 -2.222 14.078 -9.147 1.00 15.11 H new ATOM 0 HG23 VAL A 24 -2.916 15.713 -9.265 1.00 15.11 H new ATOM 354 N LYS A 25 -3.026 16.293 -4.563 1.00 1.11 N ATOM 355 CA LYS A 25 -2.792 16.630 -3.133 1.00 13.01 C ATOM 356 C LYS A 25 -3.803 15.899 -2.217 1.00 62.20 C ATOM 357 O LYS A 25 -3.446 15.393 -1.151 1.00 1.13 O ATOM 358 CB LYS A 25 -2.922 18.160 -2.914 1.00 41.14 C ATOM 359 CG LYS A 25 -2.012 19.025 -3.815 1.00 43.24 C ATOM 360 CD LYS A 25 -0.496 18.848 -3.534 1.00 33.30 C ATOM 361 CE LYS A 25 -0.006 19.555 -2.253 1.00 71.12 C ATOM 362 NZ LYS A 25 -0.516 18.952 -0.994 1.00 65.30 N ATOM 0 H LYS A 25 -3.407 17.065 -5.111 1.00 1.11 H new ATOM 0 HA LYS A 25 -1.784 16.306 -2.876 1.00 13.01 H new ATOM 0 HB2 LYS A 25 -3.959 18.450 -3.084 1.00 41.14 H new ATOM 0 HB3 LYS A 25 -2.695 18.384 -1.872 1.00 41.14 H new ATOM 0 HG2 LYS A 25 -2.209 18.777 -4.858 1.00 43.24 H new ATOM 0 HG3 LYS A 25 -2.276 20.074 -3.681 1.00 43.24 H new ATOM 0 HD2 LYS A 25 -0.274 17.784 -3.456 1.00 33.30 H new ATOM 0 HD3 LYS A 25 0.067 19.230 -4.385 1.00 33.30 H new ATOM 0 HE2 LYS A 25 1.084 19.538 -2.236 1.00 71.12 H new ATOM 0 HE3 LYS A 25 -0.308 20.602 -2.290 1.00 71.12 H new ATOM 0 HZ1 LYS A 25 0.220 19.004 -0.261 1.00 65.30 H new ATOM 0 HZ2 LYS A 25 -1.358 19.473 -0.676 1.00 65.30 H new ATOM 0 HZ3 LYS A 25 -0.767 17.957 -1.163 1.00 65.30 H new ATOM 376 N ARG A 26 -5.062 15.859 -2.674 1.00 11.21 N ATOM 377 CA ARG A 26 -6.193 15.244 -1.940 1.00 32.23 C ATOM 378 C ARG A 26 -5.996 13.702 -1.833 1.00 73.34 C ATOM 379 O ARG A 26 -6.283 13.094 -0.793 1.00 32.32 O ATOM 380 CB ARG A 26 -7.534 15.618 -2.662 1.00 23.41 C ATOM 381 CG ARG A 26 -8.782 15.817 -1.754 1.00 73.04 C ATOM 382 CD ARG A 26 -9.244 14.543 -1.023 1.00 15.54 C ATOM 383 NE ARG A 26 -10.529 14.721 -0.329 1.00 60.12 N ATOM 384 CZ ARG A 26 -11.019 13.923 0.604 1.00 20.55 C ATOM 385 NH1 ARG A 26 -10.324 12.941 1.100 1.00 34.21 N ATOM 386 NH2 ARG A 26 -12.208 14.136 1.044 1.00 44.44 N ATOM 0 H ARG A 26 -5.334 16.255 -3.574 1.00 11.21 H new ATOM 0 HA ARG A 26 -6.233 15.630 -0.921 1.00 32.23 H new ATOM 0 HB2 ARG A 26 -7.373 16.537 -3.226 1.00 23.41 H new ATOM 0 HB3 ARG A 26 -7.761 14.836 -3.386 1.00 23.41 H new ATOM 0 HG2 ARG A 26 -8.559 16.586 -1.014 1.00 73.04 H new ATOM 0 HG3 ARG A 26 -9.605 16.190 -2.364 1.00 73.04 H new ATOM 0 HD2 ARG A 26 -9.334 13.729 -1.742 1.00 15.54 H new ATOM 0 HD3 ARG A 26 -8.483 14.248 -0.300 1.00 15.54 H new ATOM 0 HE ARG A 26 -11.091 15.531 -0.591 1.00 60.12 H new ATOM 0 HH11 ARG A 26 -9.374 12.771 0.770 1.00 34.21 H new ATOM 0 HH12 ARG A 26 -10.729 12.342 1.819 1.00 34.21 H new ATOM 0 HH21 ARG A 26 -12.758 14.911 0.673 1.00 44.44 H new ATOM 0 HH22 ARG A 26 -12.602 13.530 1.764 1.00 44.44 H new ATOM 400 N VAL A 27 -5.492 13.093 -2.926 1.00 73.54 N ATOM 401 CA VAL A 27 -5.173 11.643 -2.973 1.00 73.41 C ATOM 402 C VAL A 27 -3.834 11.350 -2.227 1.00 54.10 C ATOM 403 O VAL A 27 -3.643 10.270 -1.690 1.00 41.13 O ATOM 404 CB VAL A 27 -5.127 11.088 -4.455 1.00 65.15 C ATOM 405 CG1 VAL A 27 -5.012 9.535 -4.480 1.00 41.10 C ATOM 406 CG2 VAL A 27 -6.367 11.551 -5.267 1.00 5.15 C ATOM 0 H VAL A 27 -5.294 13.585 -3.798 1.00 73.54 H new ATOM 0 HA VAL A 27 -5.980 11.118 -2.461 1.00 73.41 H new ATOM 0 HB VAL A 27 -4.234 11.501 -4.925 1.00 65.15 H new ATOM 0 HG11 VAL A 27 -4.983 9.189 -5.513 1.00 41.10 H new ATOM 0 HG12 VAL A 27 -4.099 9.230 -3.969 1.00 41.10 H new ATOM 0 HG13 VAL A 27 -5.874 9.098 -3.975 1.00 41.10 H new ATOM 0 HG21 VAL A 27 -6.307 11.154 -6.280 1.00 5.15 H new ATOM 0 HG22 VAL A 27 -7.274 11.184 -4.787 1.00 5.15 H new ATOM 0 HG23 VAL A 27 -6.391 12.640 -5.305 1.00 5.15 H new ATOM 416 N TRP A 28 -2.899 12.319 -2.227 1.00 23.35 N ATOM 417 CA TRP A 28 -1.634 12.233 -1.435 1.00 20.02 C ATOM 418 C TRP A 28 -1.910 12.266 0.089 1.00 24.43 C ATOM 419 O TRP A 28 -1.180 11.651 0.874 1.00 11.14 O ATOM 420 CB TRP A 28 -0.681 13.392 -1.841 1.00 15.43 C ATOM 421 CG TRP A 28 0.686 13.378 -1.181 1.00 45.24 C ATOM 422 CD1 TRP A 28 1.122 14.174 -0.153 1.00 24.44 C ATOM 423 CD2 TRP A 28 1.795 12.525 -1.515 1.00 40.52 C ATOM 424 NE1 TRP A 28 2.421 13.872 0.160 1.00 54.24 N ATOM 425 CE2 TRP A 28 2.855 12.862 -0.662 1.00 32.54 C ATOM 426 CE3 TRP A 28 1.990 11.509 -2.454 1.00 52.03 C ATOM 427 CZ2 TRP A 28 4.092 12.227 -0.728 1.00 34.11 C ATOM 428 CZ3 TRP A 28 3.212 10.881 -2.518 1.00 1.23 C ATOM 429 CH2 TRP A 28 4.251 11.240 -1.657 1.00 4.54 C ATOM 0 H TRP A 28 -2.987 13.180 -2.767 1.00 23.35 H new ATOM 0 HA TRP A 28 -1.158 11.278 -1.658 1.00 20.02 H new ATOM 0 HB2 TRP A 28 -0.543 13.364 -2.922 1.00 15.43 H new ATOM 0 HB3 TRP A 28 -1.168 14.338 -1.607 1.00 15.43 H new ATOM 0 HD1 TRP A 28 0.527 14.930 0.339 1.00 24.44 H new ATOM 0 HE1 TRP A 28 2.976 14.324 0.886 1.00 54.24 H new ATOM 0 HE3 TRP A 28 1.191 11.220 -3.121 1.00 52.03 H new ATOM 0 HZ2 TRP A 28 4.899 12.506 -0.066 1.00 34.11 H new ATOM 0 HZ3 TRP A 28 3.370 10.098 -3.245 1.00 1.23 H new ATOM 0 HH2 TRP A 28 5.199 10.727 -1.728 1.00 4.54 H new ATOM 440 N ALA A 29 -2.978 12.985 0.486 1.00 62.33 N ATOM 441 CA ALA A 29 -3.380 13.153 1.905 1.00 44.12 C ATOM 442 C ALA A 29 -3.732 11.810 2.605 1.00 15.11 C ATOM 443 O ALA A 29 -3.540 11.668 3.815 1.00 45.04 O ATOM 444 CB ALA A 29 -4.559 14.134 1.995 1.00 63.33 C ATOM 0 H ALA A 29 -3.592 13.470 -0.168 1.00 62.33 H new ATOM 0 HA ALA A 29 -2.519 13.556 2.438 1.00 44.12 H new ATOM 0 HB1 ALA A 29 -4.852 14.256 3.038 1.00 63.33 H new ATOM 0 HB2 ALA A 29 -4.261 15.100 1.587 1.00 63.33 H new ATOM 0 HB3 ALA A 29 -5.402 13.744 1.424 1.00 63.33 H new ATOM 450 N ILE A 30 -4.229 10.820 1.830 1.00 72.13 N ATOM 451 CA ILE A 30 -4.575 9.475 2.371 1.00 12.03 C ATOM 452 C ILE A 30 -3.301 8.674 2.741 1.00 53.23 C ATOM 453 O ILE A 30 -3.375 7.698 3.468 1.00 44.50 O ATOM 454 CB ILE A 30 -5.445 8.638 1.356 1.00 62.33 C ATOM 455 CG1 ILE A 30 -4.559 8.067 0.204 1.00 13.34 C ATOM 456 CG2 ILE A 30 -6.606 9.497 0.808 1.00 13.01 C ATOM 457 CD1 ILE A 30 -5.292 7.391 -0.926 1.00 74.43 C ATOM 0 H ILE A 30 -4.401 10.921 0.830 1.00 72.13 H new ATOM 0 HA ILE A 30 -5.165 9.645 3.272 1.00 12.03 H new ATOM 0 HB ILE A 30 -5.878 7.789 1.885 1.00 62.33 H new ATOM 0 HG12 ILE A 30 -3.968 8.884 -0.211 1.00 13.34 H new ATOM 0 HG13 ILE A 30 -3.857 7.352 0.634 1.00 13.34 H new ATOM 0 HG21 ILE A 30 -7.197 8.906 0.109 1.00 13.01 H new ATOM 0 HG22 ILE A 30 -7.239 9.823 1.634 1.00 13.01 H new ATOM 0 HG23 ILE A 30 -6.202 10.369 0.294 1.00 13.01 H new ATOM 0 HD11 ILE A 30 -4.574 7.036 -1.665 1.00 74.43 H new ATOM 0 HD12 ILE A 30 -5.860 6.546 -0.537 1.00 74.43 H new ATOM 0 HD13 ILE A 30 -5.973 8.102 -1.395 1.00 74.43 H new ATOM 469 N TRP A 31 -2.150 9.072 2.172 1.00 75.35 N ATOM 470 CA TRP A 31 -0.837 8.457 2.467 1.00 62.03 C ATOM 471 C TRP A 31 -0.082 9.246 3.552 1.00 21.22 C ATOM 472 O TRP A 31 0.544 8.658 4.432 1.00 75.13 O ATOM 473 CB TRP A 31 0.016 8.383 1.171 1.00 3.14 C ATOM 474 CG TRP A 31 -0.562 7.454 0.122 1.00 23.40 C ATOM 475 CD1 TRP A 31 -1.224 7.791 -1.032 1.00 73.32 C ATOM 476 CD2 TRP A 31 -0.530 6.018 0.157 1.00 64.23 C ATOM 477 NE1 TRP A 31 -1.612 6.652 -1.696 1.00 31.43 N ATOM 478 CE2 TRP A 31 -1.191 5.555 -0.989 1.00 40.30 C ATOM 479 CE3 TRP A 31 0.002 5.083 1.056 1.00 72.22 C ATOM 480 CZ2 TRP A 31 -1.339 4.197 -1.260 1.00 32.52 C ATOM 481 CZ3 TRP A 31 -0.144 3.738 0.785 1.00 13.13 C ATOM 482 CH2 TRP A 31 -0.808 3.302 -0.365 1.00 23.23 C ATOM 0 H TRP A 31 -2.100 9.831 1.492 1.00 75.35 H new ATOM 0 HA TRP A 31 -1.011 7.449 2.844 1.00 62.03 H new ATOM 0 HB2 TRP A 31 0.109 9.383 0.748 1.00 3.14 H new ATOM 0 HB3 TRP A 31 1.022 8.050 1.426 1.00 3.14 H new ATOM 0 HD1 TRP A 31 -1.412 8.800 -1.368 1.00 73.32 H new ATOM 0 HE1 TRP A 31 -2.130 6.627 -2.574 1.00 31.43 H new ATOM 0 HE3 TRP A 31 0.518 5.410 1.947 1.00 72.22 H new ATOM 0 HZ2 TRP A 31 -1.855 3.859 -2.146 1.00 32.52 H new ATOM 0 HZ3 TRP A 31 0.261 3.010 1.473 1.00 13.13 H new ATOM 0 HH2 TRP A 31 -0.905 2.243 -0.553 1.00 23.23 H new ATOM 493 N GLU A 32 -0.151 10.583 3.457 1.00 24.04 N ATOM 494 CA GLU A 32 0.606 11.503 4.330 1.00 42.14 C ATOM 495 C GLU A 32 0.014 11.576 5.756 1.00 43.12 C ATOM 496 O GLU A 32 0.755 11.667 6.746 1.00 2.23 O ATOM 497 CB GLU A 32 0.668 12.912 3.677 1.00 60.52 C ATOM 498 CG GLU A 32 1.565 13.916 4.434 1.00 2.42 C ATOM 499 CD GLU A 32 1.788 15.234 3.678 1.00 72.45 C ATOM 500 OE1 GLU A 32 2.681 15.288 2.800 1.00 71.35 O ATOM 501 OE2 GLU A 32 1.086 16.229 3.958 1.00 22.12 O ATOM 0 H GLU A 32 -0.735 11.061 2.771 1.00 24.04 H new ATOM 0 HA GLU A 32 1.618 11.112 4.435 1.00 42.14 H new ATOM 0 HB2 GLU A 32 1.034 12.812 2.655 1.00 60.52 H new ATOM 0 HB3 GLU A 32 -0.342 13.317 3.615 1.00 60.52 H new ATOM 0 HG2 GLU A 32 1.115 14.134 5.402 1.00 2.42 H new ATOM 0 HG3 GLU A 32 2.531 13.451 4.629 1.00 2.42 H new ATOM 508 N ASP A 33 -1.323 11.552 5.851 1.00 52.41 N ATOM 509 CA ASP A 33 -2.040 11.600 7.140 1.00 50.41 C ATOM 510 C ASP A 33 -2.363 10.172 7.663 1.00 43.05 C ATOM 511 O ASP A 33 -3.123 9.442 7.013 1.00 14.40 O ATOM 512 CB ASP A 33 -3.334 12.425 6.992 1.00 4.24 C ATOM 513 CG ASP A 33 -3.065 13.900 6.662 1.00 63.01 C ATOM 514 OD1 ASP A 33 -2.873 14.698 7.608 1.00 63.34 O ATOM 515 OD2 ASP A 33 -3.021 14.267 5.470 1.00 71.41 O ATOM 0 H ASP A 33 -1.940 11.499 5.040 1.00 52.41 H new ATOM 0 HA ASP A 33 -1.391 12.081 7.872 1.00 50.41 H new ATOM 0 HB2 ASP A 33 -3.950 11.988 6.206 1.00 4.24 H new ATOM 0 HB3 ASP A 33 -3.907 12.363 7.917 1.00 4.24 H new ATOM 520 N PRO A 34 -1.773 9.755 8.840 1.00 24.43 N ATOM 521 CA PRO A 34 -2.065 8.446 9.496 1.00 3.11 C ATOM 522 C PRO A 34 -3.580 8.130 9.660 1.00 5.41 C ATOM 523 O PRO A 34 -4.013 7.017 9.361 1.00 13.14 O ATOM 524 CB PRO A 34 -1.362 8.561 10.885 1.00 15.14 C ATOM 525 CG PRO A 34 -0.894 9.989 10.993 1.00 32.30 C ATOM 526 CD PRO A 34 -0.714 10.484 9.582 1.00 52.41 C ATOM 0 HA PRO A 34 -1.703 7.621 8.882 1.00 3.11 H new ATOM 0 HB2 PRO A 34 -2.050 8.313 11.693 1.00 15.14 H new ATOM 0 HB3 PRO A 34 -0.523 7.868 10.957 1.00 15.14 H new ATOM 0 HG2 PRO A 34 -1.623 10.597 11.528 1.00 32.30 H new ATOM 0 HG3 PRO A 34 0.042 10.050 11.549 1.00 32.30 H new ATOM 0 HD2 PRO A 34 -0.842 11.564 9.513 1.00 52.41 H new ATOM 0 HD3 PRO A 34 0.280 10.256 9.197 1.00 52.41 H new ATOM 534 N ARG A 35 -4.377 9.117 10.137 1.00 63.21 N ATOM 535 CA ARG A 35 -5.849 8.953 10.328 1.00 53.30 C ATOM 536 C ARG A 35 -6.616 8.782 8.985 1.00 12.20 C ATOM 537 O ARG A 35 -7.684 8.155 8.956 1.00 23.54 O ATOM 538 CB ARG A 35 -6.449 10.133 11.168 1.00 54.41 C ATOM 539 CG ARG A 35 -6.463 9.911 12.704 1.00 54.53 C ATOM 540 CD ARG A 35 -5.069 9.688 13.320 1.00 3.14 C ATOM 541 NE ARG A 35 -4.191 10.868 13.190 1.00 34.22 N ATOM 542 CZ ARG A 35 -2.972 10.966 13.687 1.00 32.45 C ATOM 543 NH1 ARG A 35 -2.387 9.952 14.251 1.00 31.24 N ATOM 544 NH2 ARG A 35 -2.315 12.071 13.570 1.00 70.30 N ATOM 0 H ARG A 35 -4.029 10.039 10.399 1.00 63.21 H new ATOM 0 HA ARG A 35 -5.984 8.028 10.888 1.00 53.30 H new ATOM 0 HB2 ARG A 35 -5.879 11.037 10.953 1.00 54.41 H new ATOM 0 HB3 ARG A 35 -7.471 10.313 10.834 1.00 54.41 H new ATOM 0 HG2 ARG A 35 -6.925 10.775 13.181 1.00 54.53 H new ATOM 0 HG3 ARG A 35 -7.090 9.049 12.930 1.00 54.53 H new ATOM 0 HD2 ARG A 35 -5.179 9.437 14.375 1.00 3.14 H new ATOM 0 HD3 ARG A 35 -4.596 8.833 12.837 1.00 3.14 H new ATOM 0 HE ARG A 35 -4.555 11.670 12.676 1.00 34.22 H new ATOM 0 HH11 ARG A 35 -2.870 9.056 14.317 1.00 31.24 H new ATOM 0 HH12 ARG A 35 -1.444 10.052 14.628 1.00 31.24 H new ATOM 0 HH21 ARG A 35 -2.738 12.868 13.094 1.00 70.30 H new ATOM 0 HH22 ARG A 35 -1.373 12.147 13.954 1.00 70.30 H new ATOM 558 N GLN A 36 -6.075 9.337 7.879 1.00 65.33 N ATOM 559 CA GLN A 36 -6.681 9.175 6.537 1.00 31.34 C ATOM 560 C GLN A 36 -6.222 7.858 5.871 1.00 52.24 C ATOM 561 O GLN A 36 -6.905 7.365 4.986 1.00 15.24 O ATOM 562 CB GLN A 36 -6.365 10.385 5.616 1.00 1.33 C ATOM 563 CG GLN A 36 -6.884 11.749 6.129 1.00 51.30 C ATOM 564 CD GLN A 36 -6.789 12.877 5.090 1.00 55.22 C ATOM 565 OE1 GLN A 36 -6.927 12.654 3.890 1.00 2.14 O ATOM 566 NE2 GLN A 36 -6.546 14.097 5.536 1.00 62.32 N ATOM 0 H GLN A 36 -5.224 9.899 7.887 1.00 65.33 H new ATOM 0 HA GLN A 36 -7.761 9.132 6.677 1.00 31.34 H new ATOM 0 HB2 GLN A 36 -5.285 10.450 5.484 1.00 1.33 H new ATOM 0 HB3 GLN A 36 -6.795 10.196 4.632 1.00 1.33 H new ATOM 0 HG2 GLN A 36 -7.923 11.639 6.439 1.00 51.30 H new ATOM 0 HG3 GLN A 36 -6.316 12.034 7.015 1.00 51.30 H new ATOM 0 HE21 GLN A 36 -6.435 14.261 6.536 1.00 62.32 H new ATOM 0 HE22 GLN A 36 -6.470 14.874 4.880 1.00 62.32 H new ATOM 575 N LEU A 37 -5.059 7.321 6.290 1.00 34.10 N ATOM 576 CA LEU A 37 -4.528 6.020 5.798 1.00 4.44 C ATOM 577 C LEU A 37 -5.240 4.810 6.440 1.00 15.21 C ATOM 578 O LEU A 37 -5.729 3.922 5.736 1.00 32.43 O ATOM 579 CB LEU A 37 -2.997 5.958 6.066 1.00 5.33 C ATOM 580 CG LEU A 37 -2.247 4.634 5.678 1.00 22.13 C ATOM 581 CD1 LEU A 37 -2.393 4.271 4.183 1.00 54.23 C ATOM 582 CD2 LEU A 37 -0.765 4.730 6.060 1.00 72.23 C ATOM 0 H LEU A 37 -4.456 7.771 6.979 1.00 34.10 H new ATOM 0 HA LEU A 37 -4.722 5.961 4.727 1.00 4.44 H new ATOM 0 HB2 LEU A 37 -2.527 6.781 5.527 1.00 5.33 H new ATOM 0 HB3 LEU A 37 -2.834 6.138 7.129 1.00 5.33 H new ATOM 0 HG LEU A 37 -2.720 3.830 6.243 1.00 22.13 H new ATOM 0 HD11 LEU A 37 -1.853 3.347 3.979 1.00 54.23 H new ATOM 0 HD12 LEU A 37 -3.448 4.136 3.943 1.00 54.23 H new ATOM 0 HD13 LEU A 37 -1.982 5.074 3.572 1.00 54.23 H new ATOM 0 HD21 LEU A 37 -0.258 3.805 5.785 1.00 72.23 H new ATOM 0 HD22 LEU A 37 -0.307 5.566 5.532 1.00 72.23 H new ATOM 0 HD23 LEU A 37 -0.676 4.887 7.135 1.00 72.23 H new ATOM 594 N GLU A 38 -5.314 4.806 7.785 1.00 42.04 N ATOM 595 CA GLU A 38 -5.828 3.655 8.568 1.00 50.14 C ATOM 596 C GLU A 38 -7.313 3.330 8.267 1.00 62.30 C ATOM 597 O GLU A 38 -7.717 2.165 8.321 1.00 35.11 O ATOM 598 CB GLU A 38 -5.622 3.902 10.086 1.00 41.54 C ATOM 599 CG GLU A 38 -6.328 5.148 10.667 1.00 61.41 C ATOM 600 CD GLU A 38 -6.115 5.332 12.184 1.00 11.25 C ATOM 601 OE1 GLU A 38 -4.990 5.082 12.674 1.00 24.44 O ATOM 602 OE2 GLU A 38 -7.077 5.717 12.890 1.00 62.20 O ATOM 0 H GLU A 38 -5.022 5.595 8.362 1.00 42.04 H new ATOM 0 HA GLU A 38 -5.252 2.783 8.260 1.00 50.14 H new ATOM 0 HB2 GLU A 38 -5.972 3.024 10.628 1.00 41.54 H new ATOM 0 HB3 GLU A 38 -4.553 3.991 10.279 1.00 41.54 H new ATOM 0 HG2 GLU A 38 -5.965 6.035 10.148 1.00 61.41 H new ATOM 0 HG3 GLU A 38 -7.397 5.076 10.465 1.00 61.41 H new ATOM 609 N ARG A 39 -8.104 4.365 7.909 1.00 74.33 N ATOM 610 CA ARG A 39 -9.559 4.224 7.641 1.00 60.34 C ATOM 611 C ARG A 39 -9.870 3.424 6.346 1.00 31.12 C ATOM 612 O ARG A 39 -11.024 3.035 6.124 1.00 75.13 O ATOM 613 CB ARG A 39 -10.233 5.622 7.599 1.00 44.34 C ATOM 614 CG ARG A 39 -9.720 6.571 6.491 1.00 72.44 C ATOM 615 CD ARG A 39 -10.409 7.953 6.532 1.00 32.30 C ATOM 616 NE ARG A 39 -11.866 7.862 6.292 1.00 51.35 N ATOM 617 CZ ARG A 39 -12.826 8.214 7.135 1.00 4.31 C ATOM 618 NH1 ARG A 39 -12.567 8.696 8.315 1.00 4.34 N ATOM 619 NH2 ARG A 39 -14.055 8.079 6.778 1.00 5.13 N ATOM 0 H ARG A 39 -7.758 5.318 7.797 1.00 74.33 H new ATOM 0 HA ARG A 39 -9.976 3.643 8.464 1.00 60.34 H new ATOM 0 HB2 ARG A 39 -11.307 5.486 7.469 1.00 44.34 H new ATOM 0 HB3 ARG A 39 -10.088 6.106 8.565 1.00 44.34 H new ATOM 0 HG2 ARG A 39 -8.643 6.702 6.599 1.00 72.44 H new ATOM 0 HG3 ARG A 39 -9.890 6.113 5.517 1.00 72.44 H new ATOM 0 HD2 ARG A 39 -10.231 8.416 7.502 1.00 32.30 H new ATOM 0 HD3 ARG A 39 -9.959 8.603 5.781 1.00 32.30 H new ATOM 0 HE ARG A 39 -12.161 7.492 5.388 1.00 51.35 H new ATOM 0 HH11 ARG A 39 -11.600 8.813 8.617 1.00 4.34 H new ATOM 0 HH12 ARG A 39 -13.331 8.957 8.938 1.00 4.34 H new ATOM 0 HH21 ARG A 39 -14.280 7.705 5.856 1.00 5.13 H new ATOM 0 HH22 ARG A 39 -14.804 8.346 7.417 1.00 5.13 H new ATOM 633 N TRP A 40 -8.849 3.187 5.489 1.00 53.22 N ATOM 634 CA TRP A 40 -8.999 2.341 4.277 1.00 55.45 C ATOM 635 C TRP A 40 -7.941 1.219 4.201 1.00 21.42 C ATOM 636 O TRP A 40 -8.069 0.321 3.364 1.00 65.33 O ATOM 637 CB TRP A 40 -8.958 3.196 2.984 1.00 60.43 C ATOM 638 CG TRP A 40 -7.647 3.910 2.707 1.00 51.00 C ATOM 639 CD1 TRP A 40 -7.267 5.146 3.140 1.00 2.25 C ATOM 640 CD2 TRP A 40 -6.558 3.432 1.905 1.00 53.23 C ATOM 641 NE1 TRP A 40 -6.019 5.457 2.666 1.00 42.50 N ATOM 642 CE2 TRP A 40 -5.569 4.422 1.899 1.00 14.35 C ATOM 643 CE3 TRP A 40 -6.337 2.259 1.194 1.00 63.05 C ATOM 644 CZ2 TRP A 40 -4.375 4.271 1.201 1.00 30.12 C ATOM 645 CZ3 TRP A 40 -5.162 2.104 0.501 1.00 52.04 C ATOM 646 CH2 TRP A 40 -4.193 3.104 0.510 1.00 3.12 C ATOM 0 H TRP A 40 -7.911 3.569 5.613 1.00 53.22 H new ATOM 0 HA TRP A 40 -9.977 1.867 4.358 1.00 55.45 H new ATOM 0 HB2 TRP A 40 -9.185 2.550 2.136 1.00 60.43 H new ATOM 0 HB3 TRP A 40 -9.752 3.941 3.038 1.00 60.43 H new ATOM 0 HD1 TRP A 40 -7.865 5.789 3.768 1.00 2.25 H new ATOM 0 HE1 TRP A 40 -5.510 6.320 2.856 1.00 42.50 H new ATOM 0 HE3 TRP A 40 -7.082 1.477 1.187 1.00 63.05 H new ATOM 0 HZ2 TRP A 40 -3.621 5.045 1.204 1.00 30.12 H new ATOM 0 HZ3 TRP A 40 -4.987 1.196 -0.057 1.00 52.04 H new ATOM 0 HH2 TRP A 40 -3.276 2.955 -0.041 1.00 3.12 H new ATOM 657 N TRP A 41 -6.893 1.288 5.045 1.00 52.30 N ATOM 658 CA TRP A 41 -5.767 0.330 4.982 1.00 31.53 C ATOM 659 C TRP A 41 -6.219 -1.084 5.437 1.00 11.04 C ATOM 660 O TRP A 41 -6.530 -1.302 6.612 1.00 33.52 O ATOM 661 CB TRP A 41 -4.558 0.848 5.815 1.00 10.11 C ATOM 662 CG TRP A 41 -3.241 0.175 5.473 1.00 63.22 C ATOM 663 CD1 TRP A 41 -2.429 -0.553 6.301 1.00 52.34 C ATOM 664 CD2 TRP A 41 -2.595 0.168 4.185 1.00 22.25 C ATOM 665 NE1 TRP A 41 -1.327 -0.993 5.615 1.00 1.15 N ATOM 666 CE2 TRP A 41 -1.410 -0.570 4.319 1.00 24.52 C ATOM 667 CE3 TRP A 41 -2.902 0.711 2.932 1.00 72.44 C ATOM 668 CZ2 TRP A 41 -0.538 -0.773 3.257 1.00 12.14 C ATOM 669 CZ3 TRP A 41 -2.038 0.508 1.881 1.00 45.41 C ATOM 670 CH2 TRP A 41 -0.868 -0.229 2.046 1.00 44.32 C ATOM 0 H TRP A 41 -6.801 1.993 5.776 1.00 52.30 H new ATOM 0 HA TRP A 41 -5.439 0.247 3.946 1.00 31.53 H new ATOM 0 HB2 TRP A 41 -4.457 1.922 5.660 1.00 10.11 H new ATOM 0 HB3 TRP A 41 -4.768 0.697 6.874 1.00 10.11 H new ATOM 0 HD1 TRP A 41 -2.628 -0.752 7.344 1.00 52.34 H new ATOM 0 HE1 TRP A 41 -0.567 -1.547 6.009 1.00 1.15 H new ATOM 0 HE3 TRP A 41 -3.807 1.283 2.792 1.00 72.44 H new ATOM 0 HZ2 TRP A 41 0.371 -1.342 3.383 1.00 12.14 H new ATOM 0 HZ3 TRP A 41 -2.271 0.927 0.913 1.00 45.41 H new ATOM 0 HH2 TRP A 41 -0.209 -0.374 1.203 1.00 44.32 H new ATOM 681 N GLY A 42 -6.264 -2.021 4.471 1.00 22.43 N ATOM 682 CA GLY A 42 -6.827 -3.366 4.674 1.00 42.35 C ATOM 683 C GLY A 42 -8.279 -3.503 4.165 1.00 14.10 C ATOM 684 O GLY A 42 -8.953 -2.488 3.946 1.00 62.23 O ATOM 0 H GLY A 42 -5.910 -1.865 3.527 1.00 22.43 H new ATOM 0 HA2 GLY A 42 -6.200 -4.096 4.163 1.00 42.35 H new ATOM 0 HA3 GLY A 42 -6.797 -3.608 5.736 1.00 42.35 H new ATOM 688 N PRO A 43 -8.793 -4.763 3.951 1.00 5.01 N ATOM 689 CA PRO A 43 -10.212 -5.011 3.531 1.00 74.21 C ATOM 690 C PRO A 43 -11.257 -4.579 4.625 1.00 52.43 C ATOM 691 O PRO A 43 -10.862 -4.276 5.757 1.00 34.35 O ATOM 692 CB PRO A 43 -10.224 -6.552 3.268 1.00 12.40 C ATOM 693 CG PRO A 43 -9.112 -7.093 4.113 1.00 63.31 C ATOM 694 CD PRO A 43 -8.027 -6.034 4.084 1.00 4.33 C ATOM 0 HA PRO A 43 -10.507 -4.423 2.662 1.00 74.21 H new ATOM 0 HB2 PRO A 43 -11.182 -6.993 3.545 1.00 12.40 H new ATOM 0 HB3 PRO A 43 -10.063 -6.775 2.213 1.00 12.40 H new ATOM 0 HG2 PRO A 43 -9.450 -7.281 5.132 1.00 63.31 H new ATOM 0 HG3 PRO A 43 -8.745 -8.041 3.719 1.00 63.31 H new ATOM 0 HD2 PRO A 43 -7.426 -6.048 4.993 1.00 4.33 H new ATOM 0 HD3 PRO A 43 -7.343 -6.181 3.248 1.00 4.33 H new ATOM 702 N PRO A 44 -12.615 -4.542 4.316 1.00 44.44 N ATOM 703 CA PRO A 44 -13.659 -4.067 5.296 1.00 32.45 C ATOM 704 C PRO A 44 -13.705 -4.890 6.619 1.00 54.12 C ATOM 705 O PRO A 44 -14.124 -4.385 7.667 1.00 11.14 O ATOM 706 CB PRO A 44 -14.993 -4.204 4.493 1.00 73.11 C ATOM 707 CG PRO A 44 -14.681 -5.189 3.404 1.00 72.41 C ATOM 708 CD PRO A 44 -13.245 -4.921 3.014 1.00 62.22 C ATOM 0 HA PRO A 44 -13.451 -3.053 5.639 1.00 32.45 H new ATOM 0 HB2 PRO A 44 -15.804 -4.560 5.129 1.00 73.11 H new ATOM 0 HB3 PRO A 44 -15.308 -3.245 4.082 1.00 73.11 H new ATOM 0 HG2 PRO A 44 -14.808 -6.214 3.754 1.00 72.41 H new ATOM 0 HG3 PRO A 44 -15.350 -5.058 2.553 1.00 72.41 H new ATOM 0 HD2 PRO A 44 -12.773 -5.801 2.577 1.00 62.22 H new ATOM 0 HD3 PRO A 44 -13.168 -4.120 2.279 1.00 62.22 H new ATOM 716 N THR A 45 -13.269 -6.160 6.539 1.00 10.22 N ATOM 717 CA THR A 45 -13.192 -7.086 7.697 1.00 15.40 C ATOM 718 C THR A 45 -11.875 -6.927 8.502 1.00 73.13 C ATOM 719 O THR A 45 -11.817 -7.317 9.669 1.00 41.45 O ATOM 720 CB THR A 45 -13.335 -8.568 7.215 1.00 40.35 C ATOM 721 OG1 THR A 45 -12.382 -8.832 6.169 1.00 64.34 O ATOM 722 CG2 THR A 45 -14.755 -8.872 6.698 1.00 53.44 C ATOM 0 H THR A 45 -12.956 -6.582 5.664 1.00 10.22 H new ATOM 0 HA THR A 45 -14.016 -6.828 8.362 1.00 15.40 H new ATOM 0 HB THR A 45 -13.144 -9.212 8.073 1.00 40.35 H new ATOM 0 HG1 THR A 45 -12.473 -9.761 5.871 1.00 64.34 H new ATOM 0 HG21 THR A 45 -14.809 -9.911 6.374 1.00 53.44 H new ATOM 0 HG22 THR A 45 -15.477 -8.703 7.497 1.00 53.44 H new ATOM 0 HG23 THR A 45 -14.984 -8.217 5.857 1.00 53.44 H new ATOM 730 N TRP A 46 -10.820 -6.348 7.875 1.00 21.10 N ATOM 731 CA TRP A 46 -9.496 -6.123 8.535 1.00 72.25 C ATOM 732 C TRP A 46 -9.036 -4.630 8.422 1.00 53.10 C ATOM 733 O TRP A 46 -8.114 -4.321 7.650 1.00 74.04 O ATOM 734 CB TRP A 46 -8.405 -7.049 7.909 1.00 1.11 C ATOM 735 CG TRP A 46 -8.622 -8.534 8.086 1.00 63.23 C ATOM 736 CD1 TRP A 46 -9.488 -9.335 7.400 1.00 32.42 C ATOM 737 CD2 TRP A 46 -7.924 -9.396 8.993 1.00 22.34 C ATOM 738 NE1 TRP A 46 -9.400 -10.627 7.851 1.00 21.31 N ATOM 739 CE2 TRP A 46 -8.443 -10.692 8.825 1.00 63.41 C ATOM 740 CE3 TRP A 46 -6.921 -9.188 9.939 1.00 43.25 C ATOM 741 CZ2 TRP A 46 -7.987 -11.779 9.566 1.00 30.04 C ATOM 742 CZ3 TRP A 46 -6.469 -10.266 10.671 1.00 72.51 C ATOM 743 CH2 TRP A 46 -7.002 -11.548 10.485 1.00 23.51 C ATOM 0 H TRP A 46 -10.855 -6.025 6.908 1.00 21.10 H new ATOM 0 HA TRP A 46 -9.620 -6.365 9.590 1.00 72.25 H new ATOM 0 HB2 TRP A 46 -8.342 -6.835 6.842 1.00 1.11 H new ATOM 0 HB3 TRP A 46 -7.440 -6.788 8.344 1.00 1.11 H new ATOM 0 HD1 TRP A 46 -10.148 -8.999 6.614 1.00 32.42 H new ATOM 0 HE1 TRP A 46 -9.958 -11.412 7.514 1.00 21.31 H new ATOM 0 HE3 TRP A 46 -6.507 -8.203 10.095 1.00 43.25 H new ATOM 0 HZ2 TRP A 46 -8.396 -12.768 9.420 1.00 30.04 H new ATOM 0 HZ3 TRP A 46 -5.688 -10.119 11.402 1.00 72.51 H new ATOM 0 HH2 TRP A 46 -6.628 -12.369 11.079 1.00 23.51 H new ATOM 754 N PRO A 47 -9.683 -3.668 9.159 1.00 22.03 N ATOM 755 CA PRO A 47 -9.209 -2.259 9.211 1.00 71.31 C ATOM 756 C PRO A 47 -7.934 -2.088 10.093 1.00 11.51 C ATOM 757 O PRO A 47 -7.901 -2.519 11.253 1.00 41.33 O ATOM 758 CB PRO A 47 -10.430 -1.509 9.808 1.00 10.10 C ATOM 759 CG PRO A 47 -11.116 -2.532 10.671 1.00 32.35 C ATOM 760 CD PRO A 47 -10.939 -3.854 9.946 1.00 30.04 C ATOM 0 HA PRO A 47 -8.902 -1.881 8.236 1.00 71.31 H new ATOM 0 HB2 PRO A 47 -10.117 -0.643 10.392 1.00 10.10 H new ATOM 0 HB3 PRO A 47 -11.093 -1.143 9.024 1.00 10.10 H new ATOM 0 HG2 PRO A 47 -10.673 -2.567 11.666 1.00 32.35 H new ATOM 0 HG3 PRO A 47 -12.172 -2.293 10.800 1.00 32.35 H new ATOM 0 HD2 PRO A 47 -10.852 -4.685 10.646 1.00 30.04 H new ATOM 0 HD3 PRO A 47 -11.788 -4.071 9.298 1.00 30.04 H new ATOM 768 N ALA A 48 -6.889 -1.448 9.535 1.00 10.11 N ATOM 769 CA ALA A 48 -5.608 -1.221 10.247 1.00 64.01 C ATOM 770 C ALA A 48 -5.677 0.007 11.189 1.00 45.31 C ATOM 771 O ALA A 48 -6.486 0.908 10.987 1.00 33.42 O ATOM 772 CB ALA A 48 -4.463 -1.066 9.241 1.00 54.01 C ATOM 0 H ALA A 48 -6.904 -1.075 8.586 1.00 10.11 H new ATOM 0 HA ALA A 48 -5.418 -2.095 10.871 1.00 64.01 H new ATOM 0 HB1 ALA A 48 -3.528 -0.900 9.776 1.00 54.01 H new ATOM 0 HB2 ALA A 48 -4.381 -1.972 8.640 1.00 54.01 H new ATOM 0 HB3 ALA A 48 -4.664 -0.216 8.589 1.00 54.01 H new ATOM 778 N THR A 49 -4.819 0.023 12.224 1.00 13.15 N ATOM 779 CA THR A 49 -4.741 1.141 13.204 1.00 2.12 C ATOM 780 C THR A 49 -3.264 1.509 13.468 1.00 53.32 C ATOM 781 O THR A 49 -2.508 0.689 13.994 1.00 41.24 O ATOM 782 CB THR A 49 -5.451 0.756 14.549 1.00 74.25 C ATOM 783 OG1 THR A 49 -6.820 0.401 14.299 1.00 13.25 O ATOM 784 CG2 THR A 49 -5.416 1.893 15.584 1.00 13.23 C ATOM 0 H THR A 49 -4.159 -0.732 12.412 1.00 13.15 H new ATOM 0 HA THR A 49 -5.255 2.005 12.783 1.00 2.12 H new ATOM 0 HB THR A 49 -4.902 -0.091 14.961 1.00 74.25 H new ATOM 0 HG1 THR A 49 -7.255 0.161 15.144 1.00 13.25 H new ATOM 0 HG21 THR A 49 -5.921 1.572 16.495 1.00 13.23 H new ATOM 0 HG22 THR A 49 -4.381 2.145 15.813 1.00 13.23 H new ATOM 0 HG23 THR A 49 -5.921 2.770 15.179 1.00 13.23 H new ATOM 792 N PHE A 50 -2.871 2.748 13.106 1.00 72.23 N ATOM 793 CA PHE A 50 -1.459 3.205 13.168 1.00 0.42 C ATOM 794 C PHE A 50 -1.131 3.874 14.522 1.00 2.04 C ATOM 795 O PHE A 50 -1.606 4.974 14.819 1.00 3.23 O ATOM 796 CB PHE A 50 -1.147 4.164 11.978 1.00 64.12 C ATOM 797 CG PHE A 50 -0.995 3.437 10.639 1.00 13.41 C ATOM 798 CD1 PHE A 50 -2.106 2.912 9.977 1.00 32.34 C ATOM 799 CD2 PHE A 50 0.263 3.258 10.055 1.00 22.20 C ATOM 800 CE1 PHE A 50 -1.968 2.234 8.781 1.00 21.44 C ATOM 801 CE2 PHE A 50 0.399 2.583 8.856 1.00 43.32 C ATOM 802 CZ PHE A 50 -0.715 2.070 8.221 1.00 30.33 C ATOM 0 H PHE A 50 -3.517 3.460 12.764 1.00 72.23 H new ATOM 0 HA PHE A 50 -0.820 2.326 13.083 1.00 0.42 H new ATOM 0 HB2 PHE A 50 -1.946 4.901 11.895 1.00 64.12 H new ATOM 0 HB3 PHE A 50 -0.229 4.712 12.193 1.00 64.12 H new ATOM 0 HD1 PHE A 50 -3.089 3.038 10.406 1.00 32.34 H new ATOM 0 HD2 PHE A 50 1.140 3.652 10.547 1.00 22.20 H new ATOM 0 HE1 PHE A 50 -2.839 1.832 8.284 1.00 21.44 H new ATOM 0 HE2 PHE A 50 1.377 2.457 8.416 1.00 43.32 H new ATOM 0 HZ PHE A 50 -0.607 1.540 7.286 1.00 30.33 H new ATOM 812 N GLU A 51 -0.318 3.183 15.340 1.00 34.24 N ATOM 813 CA GLU A 51 0.209 3.719 16.616 1.00 71.34 C ATOM 814 C GLU A 51 1.274 4.808 16.362 1.00 2.01 C ATOM 815 O GLU A 51 1.385 5.784 17.117 1.00 21.31 O ATOM 816 CB GLU A 51 0.800 2.560 17.455 1.00 3.33 C ATOM 817 CG GLU A 51 -0.197 1.418 17.745 1.00 21.20 C ATOM 818 CD GLU A 51 -1.453 1.866 18.526 1.00 51.21 C ATOM 819 OE1 GLU A 51 -1.382 1.972 19.767 1.00 75.51 O ATOM 820 OE2 GLU A 51 -2.520 2.107 17.905 1.00 32.11 O ATOM 0 H GLU A 51 -0.005 2.234 15.138 1.00 34.24 H new ATOM 0 HA GLU A 51 -0.608 4.182 17.169 1.00 71.34 H new ATOM 0 HB2 GLU A 51 1.663 2.150 16.930 1.00 3.33 H new ATOM 0 HB3 GLU A 51 1.163 2.960 18.402 1.00 3.33 H new ATOM 0 HG2 GLU A 51 -0.508 0.972 16.800 1.00 21.20 H new ATOM 0 HG3 GLU A 51 0.313 0.639 18.312 1.00 21.20 H new ATOM 827 N THR A 52 2.054 4.622 15.286 1.00 42.22 N ATOM 828 CA THR A 52 2.991 5.644 14.777 1.00 1.32 C ATOM 829 C THR A 52 2.999 5.622 13.241 1.00 21.11 C ATOM 830 O THR A 52 2.674 4.594 12.627 1.00 21.02 O ATOM 831 CB THR A 52 4.452 5.472 15.321 1.00 32.23 C ATOM 832 OG1 THR A 52 5.228 6.640 14.996 1.00 12.35 O ATOM 833 CG2 THR A 52 5.173 4.229 14.768 1.00 35.51 C ATOM 0 H THR A 52 2.055 3.759 14.742 1.00 42.22 H new ATOM 0 HA THR A 52 2.634 6.607 15.141 1.00 1.32 H new ATOM 0 HB THR A 52 4.364 5.340 16.399 1.00 32.23 H new ATOM 0 HG1 THR A 52 6.140 6.532 15.338 1.00 12.35 H new ATOM 0 HG21 THR A 52 6.178 4.175 15.187 1.00 35.51 H new ATOM 0 HG22 THR A 52 4.616 3.333 15.043 1.00 35.51 H new ATOM 0 HG23 THR A 52 5.236 4.298 13.682 1.00 35.51 H new ATOM 841 N HIS A 53 3.348 6.764 12.635 1.00 15.14 N ATOM 842 CA HIS A 53 3.425 6.915 11.172 1.00 20.41 C ATOM 843 C HIS A 53 4.358 8.098 10.827 1.00 43.21 C ATOM 844 O HIS A 53 3.927 9.255 10.750 1.00 65.14 O ATOM 845 CB HIS A 53 1.991 7.094 10.598 1.00 3.44 C ATOM 846 CG HIS A 53 1.895 7.280 9.103 1.00 12.12 C ATOM 847 ND1 HIS A 53 1.983 8.526 8.540 1.00 33.01 N ATOM 848 CD2 HIS A 53 1.672 6.372 8.118 1.00 23.15 C ATOM 849 CE1 HIS A 53 1.812 8.357 7.252 1.00 41.04 C ATOM 850 NE2 HIS A 53 1.620 7.072 6.941 1.00 54.22 N ATOM 0 H HIS A 53 3.586 7.614 13.146 1.00 15.14 H new ATOM 0 HA HIS A 53 3.850 6.023 10.712 1.00 20.41 H new ATOM 0 HB2 HIS A 53 1.399 6.222 10.874 1.00 3.44 H new ATOM 0 HB3 HIS A 53 1.533 7.957 11.082 1.00 3.44 H new ATOM 0 HD2 HIS A 53 1.558 5.305 8.239 1.00 23.15 H new ATOM 0 HE1 HIS A 53 1.825 9.159 6.529 1.00 41.04 H new ATOM 0 HE2 HIS A 53 1.465 6.687 6.009 1.00 54.22 H new ATOM 858 N GLU A 54 5.663 7.798 10.709 1.00 65.34 N ATOM 859 CA GLU A 54 6.687 8.799 10.354 1.00 63.34 C ATOM 860 C GLU A 54 6.789 8.896 8.831 1.00 75.14 C ATOM 861 O GLU A 54 7.588 8.181 8.219 1.00 73.41 O ATOM 862 CB GLU A 54 8.073 8.431 10.964 1.00 22.15 C ATOM 863 CG GLU A 54 8.053 8.077 12.457 1.00 15.12 C ATOM 864 CD GLU A 54 7.477 9.192 13.351 1.00 71.21 C ATOM 865 OE1 GLU A 54 8.220 10.135 13.689 1.00 31.42 O ATOM 866 OE2 GLU A 54 6.279 9.135 13.708 1.00 35.20 O ATOM 0 H GLU A 54 6.037 6.861 10.856 1.00 65.34 H new ATOM 0 HA GLU A 54 6.390 9.763 10.766 1.00 63.34 H new ATOM 0 HB2 GLU A 54 8.483 7.586 10.411 1.00 22.15 H new ATOM 0 HB3 GLU A 54 8.753 9.270 10.814 1.00 22.15 H new ATOM 0 HG2 GLU A 54 7.465 7.170 12.598 1.00 15.12 H new ATOM 0 HG3 GLU A 54 9.069 7.852 12.781 1.00 15.12 H new ATOM 873 N PHE A 55 5.938 9.739 8.221 1.00 62.34 N ATOM 874 CA PHE A 55 5.923 9.950 6.772 1.00 5.30 C ATOM 875 C PHE A 55 7.120 10.840 6.342 1.00 3.32 C ATOM 876 O PHE A 55 6.963 12.009 5.971 1.00 44.11 O ATOM 877 CB PHE A 55 4.559 10.565 6.352 1.00 2.41 C ATOM 878 CG PHE A 55 4.257 10.455 4.861 1.00 51.12 C ATOM 879 CD1 PHE A 55 3.805 9.254 4.328 1.00 23.21 C ATOM 880 CD2 PHE A 55 4.413 11.536 3.999 1.00 33.41 C ATOM 881 CE1 PHE A 55 3.514 9.134 2.983 1.00 30.42 C ATOM 882 CE2 PHE A 55 4.123 11.416 2.656 1.00 70.53 C ATOM 883 CZ PHE A 55 3.672 10.213 2.148 1.00 21.41 C ATOM 0 H PHE A 55 5.243 10.291 8.723 1.00 62.34 H new ATOM 0 HA PHE A 55 6.035 8.994 6.260 1.00 5.30 H new ATOM 0 HB2 PHE A 55 3.763 10.071 6.910 1.00 2.41 H new ATOM 0 HB3 PHE A 55 4.544 11.617 6.638 1.00 2.41 H new ATOM 0 HD1 PHE A 55 3.679 8.400 4.977 1.00 23.21 H new ATOM 0 HD2 PHE A 55 4.765 12.481 4.386 1.00 33.41 H new ATOM 0 HE1 PHE A 55 3.162 8.192 2.588 1.00 30.42 H new ATOM 0 HE2 PHE A 55 4.249 12.265 2.000 1.00 70.53 H new ATOM 0 HZ PHE A 55 3.444 10.121 1.096 1.00 21.41 H new ATOM 893 N THR A 56 8.335 10.274 6.460 1.00 35.54 N ATOM 894 CA THR A 56 9.590 10.930 6.033 1.00 13.21 C ATOM 895 C THR A 56 10.567 9.895 5.424 1.00 44.43 C ATOM 896 O THR A 56 10.343 8.684 5.526 1.00 20.22 O ATOM 897 CB THR A 56 10.274 11.690 7.224 1.00 35.31 C ATOM 898 OG1 THR A 56 11.411 12.436 6.750 1.00 45.33 O ATOM 899 CG2 THR A 56 10.706 10.737 8.361 1.00 22.31 C ATOM 0 H THR A 56 8.477 9.345 6.856 1.00 35.54 H new ATOM 0 HA THR A 56 9.335 11.664 5.269 1.00 13.21 H new ATOM 0 HB THR A 56 9.532 12.373 7.637 1.00 35.31 H new ATOM 0 HG1 THR A 56 11.829 12.907 7.501 1.00 45.33 H new ATOM 0 HG21 THR A 56 11.174 11.312 9.160 1.00 22.31 H new ATOM 0 HG22 THR A 56 9.831 10.217 8.752 1.00 22.31 H new ATOM 0 HG23 THR A 56 11.418 10.008 7.974 1.00 22.31 H new ATOM 907 N VAL A 57 11.644 10.388 4.795 1.00 51.11 N ATOM 908 CA VAL A 57 12.698 9.542 4.197 1.00 51.11 C ATOM 909 C VAL A 57 13.450 8.743 5.306 1.00 15.45 C ATOM 910 O VAL A 57 14.144 9.325 6.146 1.00 13.13 O ATOM 911 CB VAL A 57 13.699 10.434 3.366 1.00 12.44 C ATOM 912 CG1 VAL A 57 14.860 9.597 2.772 1.00 11.12 C ATOM 913 CG2 VAL A 57 12.943 11.221 2.253 1.00 42.35 C ATOM 0 H VAL A 57 11.813 11.388 4.684 1.00 51.11 H new ATOM 0 HA VAL A 57 12.235 8.823 3.521 1.00 51.11 H new ATOM 0 HB VAL A 57 14.144 11.156 4.051 1.00 12.44 H new ATOM 0 HG11 VAL A 57 15.527 10.249 2.207 1.00 11.12 H new ATOM 0 HG12 VAL A 57 15.416 9.121 3.580 1.00 11.12 H new ATOM 0 HG13 VAL A 57 14.455 8.831 2.110 1.00 11.12 H new ATOM 0 HG21 VAL A 57 13.652 11.830 1.692 1.00 42.35 H new ATOM 0 HG22 VAL A 57 12.455 10.518 1.578 1.00 42.35 H new ATOM 0 HG23 VAL A 57 12.193 11.866 2.710 1.00 42.35 H new ATOM 923 N GLY A 58 13.265 7.410 5.314 1.00 51.12 N ATOM 924 CA GLY A 58 13.859 6.531 6.344 1.00 75.03 C ATOM 925 C GLY A 58 13.029 6.430 7.632 1.00 72.03 C ATOM 926 O GLY A 58 13.487 5.842 8.620 1.00 54.23 O ATOM 0 H GLY A 58 12.708 6.915 4.618 1.00 51.12 H new ATOM 0 HA2 GLY A 58 13.985 5.532 5.926 1.00 75.03 H new ATOM 0 HA3 GLY A 58 14.854 6.901 6.593 1.00 75.03 H new ATOM 930 N GLY A 59 11.813 7.012 7.618 1.00 43.11 N ATOM 931 CA GLY A 59 10.884 6.932 8.759 1.00 11.24 C ATOM 932 C GLY A 59 10.040 5.657 8.736 1.00 74.43 C ATOM 933 O GLY A 59 9.903 5.025 7.694 1.00 32.34 O ATOM 0 H GLY A 59 11.452 7.544 6.826 1.00 43.11 H new ATOM 0 HA2 GLY A 59 11.451 6.972 9.689 1.00 11.24 H new ATOM 0 HA3 GLY A 59 10.225 7.801 8.749 1.00 11.24 H new ATOM 937 N LYS A 60 9.464 5.270 9.892 1.00 64.22 N ATOM 938 CA LYS A 60 8.692 4.003 10.014 1.00 1.12 C ATOM 939 C LYS A 60 7.265 4.218 10.554 1.00 72.51 C ATOM 940 O LYS A 60 6.968 5.211 11.209 1.00 3.34 O ATOM 941 CB LYS A 60 9.438 2.982 10.919 1.00 63.04 C ATOM 942 CG LYS A 60 10.732 2.405 10.301 1.00 75.25 C ATOM 943 CD LYS A 60 11.283 1.215 11.119 1.00 35.44 C ATOM 944 CE LYS A 60 12.482 0.521 10.451 1.00 41.51 C ATOM 945 NZ LYS A 60 12.907 -0.687 11.204 1.00 25.44 N ATOM 0 H LYS A 60 9.515 5.810 10.756 1.00 64.22 H new ATOM 0 HA LYS A 60 8.606 3.606 9.003 1.00 1.12 H new ATOM 0 HB2 LYS A 60 9.686 3.466 11.864 1.00 63.04 H new ATOM 0 HB3 LYS A 60 8.762 2.159 11.150 1.00 63.04 H new ATOM 0 HG2 LYS A 60 10.533 2.082 9.279 1.00 75.25 H new ATOM 0 HG3 LYS A 60 11.488 3.188 10.246 1.00 75.25 H new ATOM 0 HD2 LYS A 60 11.580 1.568 12.106 1.00 35.44 H new ATOM 0 HD3 LYS A 60 10.487 0.486 11.268 1.00 35.44 H new ATOM 0 HE2 LYS A 60 12.218 0.240 9.431 1.00 41.51 H new ATOM 0 HE3 LYS A 60 13.316 1.220 10.384 1.00 41.51 H new ATOM 0 HZ1 LYS A 60 13.717 -1.128 10.724 1.00 25.44 H new ATOM 0 HZ2 LYS A 60 13.183 -0.415 12.169 1.00 25.44 H new ATOM 0 HZ3 LYS A 60 12.119 -1.365 11.247 1.00 25.44 H new ATOM 959 N ALA A 61 6.408 3.214 10.303 1.00 25.31 N ATOM 960 CA ALA A 61 5.009 3.199 10.762 1.00 22.31 C ATOM 961 C ALA A 61 4.672 1.837 11.399 1.00 71.32 C ATOM 962 O ALA A 61 5.003 0.786 10.845 1.00 21.20 O ATOM 963 CB ALA A 61 4.053 3.521 9.599 1.00 31.32 C ATOM 0 H ALA A 61 6.669 2.383 9.772 1.00 25.31 H new ATOM 0 HA ALA A 61 4.881 3.971 11.521 1.00 22.31 H new ATOM 0 HB1 ALA A 61 3.024 3.505 9.959 1.00 31.32 H new ATOM 0 HB2 ALA A 61 4.283 4.510 9.202 1.00 31.32 H new ATOM 0 HB3 ALA A 61 4.174 2.777 8.812 1.00 31.32 H new ATOM 969 N ALA A 62 4.013 1.865 12.566 1.00 44.05 N ATOM 970 CA ALA A 62 3.600 0.647 13.298 1.00 21.40 C ATOM 971 C ALA A 62 2.070 0.565 13.319 1.00 34.11 C ATOM 972 O ALA A 62 1.411 1.469 13.842 1.00 65.04 O ATOM 973 CB ALA A 62 4.159 0.656 14.731 1.00 4.23 C ATOM 0 H ALA A 62 3.748 2.732 13.034 1.00 44.05 H new ATOM 0 HA ALA A 62 4.002 -0.229 12.789 1.00 21.40 H new ATOM 0 HB1 ALA A 62 3.843 -0.249 15.251 1.00 4.23 H new ATOM 0 HB2 ALA A 62 5.248 0.693 14.697 1.00 4.23 H new ATOM 0 HB3 ALA A 62 3.783 1.530 15.263 1.00 4.23 H new ATOM 979 N TYR A 63 1.505 -0.509 12.746 1.00 35.15 N ATOM 980 CA TYR A 63 0.041 -0.694 12.674 1.00 51.11 C ATOM 981 C TYR A 63 -0.371 -2.138 12.981 1.00 31.44 C ATOM 982 O TYR A 63 0.473 -3.018 13.170 1.00 23.23 O ATOM 983 CB TYR A 63 -0.495 -0.264 11.284 1.00 3.30 C ATOM 984 CG TYR A 63 -0.006 -1.105 10.086 1.00 62.24 C ATOM 985 CD1 TYR A 63 1.243 -0.874 9.498 1.00 33.23 C ATOM 986 CD2 TYR A 63 -0.807 -2.112 9.528 1.00 35.32 C ATOM 987 CE1 TYR A 63 1.671 -1.607 8.407 1.00 60.43 C ATOM 988 CE2 TYR A 63 -0.380 -2.852 8.442 1.00 65.42 C ATOM 989 CZ TYR A 63 0.860 -2.593 7.883 1.00 23.33 C ATOM 990 OH TYR A 63 1.279 -3.319 6.788 1.00 52.11 O ATOM 0 H TYR A 63 2.040 -1.268 12.323 1.00 35.15 H new ATOM 0 HA TYR A 63 -0.404 -0.057 13.439 1.00 51.11 H new ATOM 0 HB2 TYR A 63 -1.584 -0.300 11.309 1.00 3.30 H new ATOM 0 HB3 TYR A 63 -0.214 0.775 11.113 1.00 3.30 H new ATOM 0 HD1 TYR A 63 1.886 -0.107 9.905 1.00 33.23 H new ATOM 0 HD2 TYR A 63 -1.778 -2.313 9.956 1.00 35.32 H new ATOM 0 HE1 TYR A 63 2.637 -1.409 7.966 1.00 60.43 H new ATOM 0 HE2 TYR A 63 -1.010 -3.628 8.032 1.00 65.42 H new ATOM 0 HH TYR A 63 0.591 -3.974 6.547 1.00 52.11 H new ATOM 1000 N TYR A 64 -1.689 -2.355 13.051 1.00 34.02 N ATOM 1001 CA TYR A 64 -2.278 -3.691 13.202 1.00 62.42 C ATOM 1002 C TYR A 64 -3.694 -3.727 12.603 1.00 53.45 C ATOM 1003 O TYR A 64 -4.489 -2.807 12.803 1.00 22.03 O ATOM 1004 CB TYR A 64 -2.276 -4.128 14.694 1.00 61.00 C ATOM 1005 CG TYR A 64 -2.889 -3.101 15.665 1.00 63.44 C ATOM 1006 CD1 TYR A 64 -4.253 -3.109 15.975 1.00 50.04 C ATOM 1007 CD2 TYR A 64 -2.099 -2.128 16.279 1.00 75.21 C ATOM 1008 CE1 TYR A 64 -4.796 -2.198 16.852 1.00 15.41 C ATOM 1009 CE2 TYR A 64 -2.642 -1.219 17.155 1.00 11.43 C ATOM 1010 CZ TYR A 64 -3.986 -1.251 17.440 1.00 45.01 C ATOM 1011 OH TYR A 64 -4.516 -0.328 18.316 1.00 44.20 O ATOM 0 H TYR A 64 -2.380 -1.606 13.004 1.00 34.02 H new ATOM 0 HA TYR A 64 -1.667 -4.405 12.651 1.00 62.42 H new ATOM 0 HB2 TYR A 64 -2.824 -5.066 14.785 1.00 61.00 H new ATOM 0 HB3 TYR A 64 -1.249 -4.328 14.999 1.00 61.00 H new ATOM 0 HD1 TYR A 64 -4.894 -3.847 15.516 1.00 50.04 H new ATOM 0 HD2 TYR A 64 -1.042 -2.089 16.062 1.00 75.21 H new ATOM 0 HE1 TYR A 64 -5.852 -2.225 17.078 1.00 15.41 H new ATOM 0 HE2 TYR A 64 -2.010 -0.477 17.621 1.00 11.43 H new ATOM 0 HH TYR A 64 -3.969 0.485 18.304 1.00 44.20 H new ATOM 1021 N MET A 65 -3.974 -4.799 11.862 1.00 2.02 N ATOM 1022 CA MET A 65 -5.255 -5.015 11.179 1.00 12.31 C ATOM 1023 C MET A 65 -6.209 -5.801 12.098 1.00 34.42 C ATOM 1024 O MET A 65 -6.037 -7.010 12.290 1.00 21.32 O ATOM 1025 CB MET A 65 -4.981 -5.778 9.856 1.00 21.52 C ATOM 1026 CG MET A 65 -3.962 -5.079 8.940 1.00 22.05 C ATOM 1027 SD MET A 65 -3.374 -6.124 7.592 1.00 60.21 S ATOM 1028 CE MET A 65 -4.893 -6.452 6.706 1.00 22.23 C ATOM 0 H MET A 65 -3.307 -5.557 11.715 1.00 2.02 H new ATOM 0 HA MET A 65 -5.734 -4.064 10.946 1.00 12.31 H new ATOM 0 HB2 MET A 65 -4.618 -6.778 10.092 1.00 21.52 H new ATOM 0 HB3 MET A 65 -5.920 -5.899 9.315 1.00 21.52 H new ATOM 0 HG2 MET A 65 -4.417 -4.181 8.522 1.00 22.05 H new ATOM 0 HG3 MET A 65 -3.110 -4.756 9.537 1.00 22.05 H new ATOM 0 HE1 MET A 65 -4.661 -6.751 5.684 1.00 22.23 H new ATOM 0 HE2 MET A 65 -5.438 -7.254 7.203 1.00 22.23 H new ATOM 0 HE3 MET A 65 -5.507 -5.551 6.690 1.00 22.23 H new ATOM 1038 N THR A 66 -7.176 -5.099 12.706 1.00 11.34 N ATOM 1039 CA THR A 66 -8.159 -5.708 13.627 1.00 40.44 C ATOM 1040 C THR A 66 -9.191 -6.553 12.835 1.00 33.31 C ATOM 1041 O THR A 66 -10.083 -6.009 12.181 1.00 70.45 O ATOM 1042 CB THR A 66 -8.885 -4.611 14.484 1.00 50.33 C ATOM 1043 OG1 THR A 66 -7.905 -3.830 15.198 1.00 30.10 O ATOM 1044 CG2 THR A 66 -9.881 -5.212 15.499 1.00 22.25 C ATOM 0 H THR A 66 -7.303 -4.095 12.577 1.00 11.34 H new ATOM 0 HA THR A 66 -7.621 -6.366 14.310 1.00 40.44 H new ATOM 0 HB THR A 66 -9.452 -3.988 13.792 1.00 50.33 H new ATOM 0 HG1 THR A 66 -8.359 -3.144 15.731 1.00 30.10 H new ATOM 0 HG21 THR A 66 -10.354 -4.409 16.064 1.00 22.25 H new ATOM 0 HG22 THR A 66 -10.644 -5.780 14.967 1.00 22.25 H new ATOM 0 HG23 THR A 66 -9.349 -5.873 16.184 1.00 22.25 H new ATOM 1052 N GLY A 67 -9.034 -7.890 12.894 1.00 4.24 N ATOM 1053 CA GLY A 67 -9.854 -8.825 12.111 1.00 51.32 C ATOM 1054 C GLY A 67 -11.319 -8.938 12.556 1.00 30.11 C ATOM 1055 O GLY A 67 -11.710 -8.336 13.566 1.00 75.14 O ATOM 0 H GLY A 67 -8.338 -8.347 13.484 1.00 4.24 H new ATOM 0 HA2 GLY A 67 -9.831 -8.516 11.066 1.00 51.32 H new ATOM 0 HA3 GLY A 67 -9.398 -9.814 12.162 1.00 51.32 H new ATOM 1059 N PRO A 68 -12.165 -9.728 11.809 1.00 32.13 N ATOM 1060 CA PRO A 68 -13.613 -9.906 12.130 1.00 60.55 C ATOM 1061 C PRO A 68 -13.851 -10.549 13.524 1.00 22.35 C ATOM 1062 O PRO A 68 -14.793 -10.185 14.233 1.00 11.22 O ATOM 1063 CB PRO A 68 -14.138 -10.812 10.973 1.00 43.23 C ATOM 1064 CG PRO A 68 -12.911 -11.475 10.411 1.00 54.43 C ATOM 1065 CD PRO A 68 -11.785 -10.478 10.579 1.00 43.23 C ATOM 0 HA PRO A 68 -14.136 -8.952 12.194 1.00 60.55 H new ATOM 0 HB2 PRO A 68 -14.851 -11.549 11.342 1.00 43.23 H new ATOM 0 HB3 PRO A 68 -14.652 -10.224 10.213 1.00 43.23 H new ATOM 0 HG2 PRO A 68 -12.692 -12.403 10.939 1.00 54.43 H new ATOM 0 HG3 PRO A 68 -13.052 -11.731 9.361 1.00 54.43 H new ATOM 0 HD2 PRO A 68 -10.822 -10.976 10.694 1.00 43.23 H new ATOM 0 HD3 PRO A 68 -11.702 -9.818 9.716 1.00 43.23 H new ATOM 1073 N ASP A 69 -12.971 -11.494 13.908 1.00 10.22 N ATOM 1074 CA ASP A 69 -13.008 -12.157 15.238 1.00 23.23 C ATOM 1075 C ASP A 69 -12.240 -11.336 16.314 1.00 50.53 C ATOM 1076 O ASP A 69 -12.042 -11.808 17.443 1.00 1.11 O ATOM 1077 CB ASP A 69 -12.396 -13.577 15.123 1.00 20.44 C ATOM 1078 CG ASP A 69 -13.057 -14.429 14.030 1.00 3.15 C ATOM 1079 OD1 ASP A 69 -12.633 -14.325 12.861 1.00 3.52 O ATOM 1080 OD2 ASP A 69 -14.002 -15.192 14.331 1.00 22.33 O ATOM 0 H ASP A 69 -12.213 -11.823 13.310 1.00 10.22 H new ATOM 0 HA ASP A 69 -14.049 -12.223 15.554 1.00 23.23 H new ATOM 0 HB2 ASP A 69 -11.330 -13.491 14.914 1.00 20.44 H new ATOM 0 HB3 ASP A 69 -12.493 -14.087 16.082 1.00 20.44 H new ATOM 1085 N GLY A 70 -11.838 -10.102 15.957 1.00 72.04 N ATOM 1086 CA GLY A 70 -10.914 -9.300 16.769 1.00 41.53 C ATOM 1087 C GLY A 70 -9.455 -9.752 16.631 1.00 71.43 C ATOM 1088 O GLY A 70 -8.611 -9.388 17.455 1.00 74.24 O ATOM 0 H GLY A 70 -12.145 -9.638 15.102 1.00 72.04 H new ATOM 0 HA2 GLY A 70 -10.995 -8.253 16.475 1.00 41.53 H new ATOM 0 HA3 GLY A 70 -11.211 -9.361 17.816 1.00 41.53 H new ATOM 1092 N THR A 71 -9.167 -10.531 15.565 1.00 72.15 N ATOM 1093 CA THR A 71 -7.827 -11.104 15.308 1.00 72.11 C ATOM 1094 C THR A 71 -6.834 -9.991 14.907 1.00 34.50 C ATOM 1095 O THR A 71 -6.784 -9.567 13.753 1.00 15.22 O ATOM 1096 CB THR A 71 -7.880 -12.206 14.196 1.00 50.41 C ATOM 1097 OG1 THR A 71 -8.912 -13.164 14.508 1.00 74.13 O ATOM 1098 CG2 THR A 71 -6.528 -12.940 14.035 1.00 14.14 C ATOM 0 H THR A 71 -9.858 -10.781 14.858 1.00 72.15 H new ATOM 0 HA THR A 71 -7.483 -11.573 16.230 1.00 72.11 H new ATOM 0 HB THR A 71 -8.101 -11.707 13.253 1.00 50.41 H new ATOM 0 HG1 THR A 71 -8.943 -13.851 13.809 1.00 74.13 H new ATOM 0 HG21 THR A 71 -6.614 -13.694 13.253 1.00 14.14 H new ATOM 0 HG22 THR A 71 -5.754 -12.222 13.763 1.00 14.14 H new ATOM 0 HG23 THR A 71 -6.261 -13.422 14.976 1.00 14.14 H new ATOM 1106 N LYS A 72 -6.076 -9.509 15.890 1.00 64.24 N ATOM 1107 CA LYS A 72 -5.194 -8.344 15.737 1.00 53.33 C ATOM 1108 C LYS A 72 -3.867 -8.737 15.034 1.00 23.41 C ATOM 1109 O LYS A 72 -2.949 -9.278 15.666 1.00 10.35 O ATOM 1110 CB LYS A 72 -4.958 -7.725 17.140 1.00 13.15 C ATOM 1111 CG LYS A 72 -4.240 -6.366 17.136 1.00 41.20 C ATOM 1112 CD LYS A 72 -4.229 -5.693 18.530 1.00 1.42 C ATOM 1113 CE LYS A 72 -5.634 -5.239 18.980 1.00 73.21 C ATOM 1114 NZ LYS A 72 -5.622 -4.638 20.337 1.00 30.42 N ATOM 0 H LYS A 72 -6.054 -9.917 16.825 1.00 64.24 H new ATOM 0 HA LYS A 72 -5.663 -7.597 15.096 1.00 53.33 H new ATOM 0 HB2 LYS A 72 -5.921 -7.609 17.636 1.00 13.15 H new ATOM 0 HB3 LYS A 72 -4.374 -8.426 17.737 1.00 13.15 H new ATOM 0 HG2 LYS A 72 -3.214 -6.503 16.795 1.00 41.20 H new ATOM 0 HG3 LYS A 72 -4.728 -5.704 16.421 1.00 41.20 H new ATOM 0 HD2 LYS A 72 -3.824 -6.391 19.263 1.00 1.42 H new ATOM 0 HD3 LYS A 72 -3.562 -4.831 18.508 1.00 1.42 H new ATOM 0 HE2 LYS A 72 -6.025 -4.513 18.267 1.00 73.21 H new ATOM 0 HE3 LYS A 72 -6.311 -6.093 18.969 1.00 73.21 H new ATOM 0 HZ1 LYS A 72 -6.586 -4.348 20.597 1.00 30.42 H new ATOM 0 HZ2 LYS A 72 -5.274 -5.337 21.023 1.00 30.42 H new ATOM 0 HZ3 LYS A 72 -4.997 -3.807 20.343 1.00 30.42 H new ATOM 1128 N ALA A 73 -3.789 -8.467 13.713 1.00 33.25 N ATOM 1129 CA ALA A 73 -2.635 -8.863 12.870 1.00 42.12 C ATOM 1130 C ALA A 73 -1.624 -7.703 12.768 1.00 74.22 C ATOM 1131 O ALA A 73 -1.823 -6.759 12.000 1.00 61.04 O ATOM 1132 CB ALA A 73 -3.115 -9.295 11.474 1.00 4.25 C ATOM 0 H ALA A 73 -4.519 -7.971 13.201 1.00 33.25 H new ATOM 0 HA ALA A 73 -2.135 -9.712 13.336 1.00 42.12 H new ATOM 0 HB1 ALA A 73 -2.257 -9.583 10.867 1.00 4.25 H new ATOM 0 HB2 ALA A 73 -3.793 -10.143 11.569 1.00 4.25 H new ATOM 0 HB3 ALA A 73 -3.636 -8.466 10.996 1.00 4.25 H new ATOM 1138 N ARG A 74 -0.537 -7.792 13.542 1.00 3.03 N ATOM 1139 CA ARG A 74 0.467 -6.716 13.641 1.00 62.11 C ATOM 1140 C ARG A 74 1.364 -6.658 12.375 1.00 14.31 C ATOM 1141 O ARG A 74 1.881 -7.678 11.921 1.00 70.24 O ATOM 1142 CB ARG A 74 1.298 -6.910 14.938 1.00 73.44 C ATOM 1143 CG ARG A 74 2.254 -5.745 15.285 1.00 3.11 C ATOM 1144 CD ARG A 74 2.838 -5.862 16.707 1.00 42.35 C ATOM 1145 NE ARG A 74 1.784 -5.887 17.748 1.00 51.02 N ATOM 1146 CZ ARG A 74 1.987 -6.094 19.033 1.00 63.12 C ATOM 1147 NH1 ARG A 74 3.184 -6.208 19.523 1.00 34.31 N ATOM 1148 NH2 ARG A 74 0.969 -6.170 19.830 1.00 52.24 N ATOM 0 H ARG A 74 -0.325 -8.607 14.117 1.00 3.03 H new ATOM 0 HA ARG A 74 -0.042 -5.754 13.696 1.00 62.11 H new ATOM 0 HB2 ARG A 74 0.612 -7.057 15.772 1.00 73.44 H new ATOM 0 HB3 ARG A 74 1.884 -7.824 14.842 1.00 73.44 H new ATOM 0 HG2 ARG A 74 3.069 -5.721 14.562 1.00 3.11 H new ATOM 0 HG3 ARG A 74 1.718 -4.800 15.193 1.00 3.11 H new ATOM 0 HD2 ARG A 74 3.437 -6.770 16.778 1.00 42.35 H new ATOM 0 HD3 ARG A 74 3.508 -5.023 16.892 1.00 42.35 H new ATOM 0 HE ARG A 74 0.823 -5.731 17.445 1.00 51.02 H new ATOM 0 HH11 ARG A 74 3.995 -6.137 18.909 1.00 34.31 H new ATOM 0 HH12 ARG A 74 3.313 -6.368 20.522 1.00 34.31 H new ATOM 0 HH21 ARG A 74 0.024 -6.070 19.461 1.00 52.24 H new ATOM 0 HH22 ARG A 74 1.113 -6.330 20.827 1.00 52.24 H new ATOM 1162 N GLY A 75 1.516 -5.448 11.805 1.00 5.13 N ATOM 1163 CA GLY A 75 2.341 -5.220 10.606 1.00 64.14 C ATOM 1164 C GLY A 75 3.313 -4.049 10.782 1.00 75.31 C ATOM 1165 O GLY A 75 3.022 -3.101 11.528 1.00 3.25 O ATOM 0 H GLY A 75 1.071 -4.603 12.163 1.00 5.13 H new ATOM 0 HA2 GLY A 75 2.904 -6.125 10.378 1.00 64.14 H new ATOM 0 HA3 GLY A 75 1.691 -5.025 9.753 1.00 64.14 H new ATOM 1169 N TRP A 76 4.466 -4.104 10.088 1.00 24.31 N ATOM 1170 CA TRP A 76 5.488 -3.027 10.131 1.00 21.00 C ATOM 1171 C TRP A 76 5.544 -2.290 8.773 1.00 74.23 C ATOM 1172 O TRP A 76 5.149 -2.834 7.737 1.00 2.41 O ATOM 1173 CB TRP A 76 6.891 -3.593 10.513 1.00 71.35 C ATOM 1174 CG TRP A 76 7.488 -4.554 9.505 1.00 52.13 C ATOM 1175 CD1 TRP A 76 7.329 -5.910 9.467 1.00 61.20 C ATOM 1176 CD2 TRP A 76 8.338 -4.226 8.389 1.00 5.24 C ATOM 1177 NE1 TRP A 76 7.998 -6.436 8.395 1.00 30.45 N ATOM 1178 CE2 TRP A 76 8.630 -5.423 7.722 1.00 13.03 C ATOM 1179 CE3 TRP A 76 8.869 -3.028 7.889 1.00 54.31 C ATOM 1180 CZ2 TRP A 76 9.425 -5.466 6.583 1.00 22.03 C ATOM 1181 CZ3 TRP A 76 9.661 -3.069 6.762 1.00 73.31 C ATOM 1182 CH2 TRP A 76 9.930 -4.282 6.116 1.00 65.42 C ATOM 0 H TRP A 76 4.719 -4.887 9.485 1.00 24.31 H new ATOM 0 HA TRP A 76 5.200 -2.314 10.904 1.00 21.00 H new ATOM 0 HB2 TRP A 76 7.579 -2.758 10.649 1.00 71.35 H new ATOM 0 HB3 TRP A 76 6.812 -4.101 11.474 1.00 71.35 H new ATOM 0 HD1 TRP A 76 6.757 -6.485 10.181 1.00 61.20 H new ATOM 0 HE1 TRP A 76 8.022 -7.423 8.138 1.00 30.45 H new ATOM 0 HE3 TRP A 76 8.661 -2.089 8.379 1.00 54.31 H new ATOM 0 HZ2 TRP A 76 9.637 -6.400 6.084 1.00 22.03 H new ATOM 0 HZ3 TRP A 76 10.080 -2.153 6.372 1.00 73.31 H new ATOM 0 HH2 TRP A 76 10.549 -4.284 5.231 1.00 65.42 H new ATOM 1193 N TRP A 77 6.034 -1.048 8.800 1.00 63.42 N ATOM 1194 CA TRP A 77 6.206 -0.209 7.588 1.00 54.42 C ATOM 1195 C TRP A 77 7.510 0.623 7.675 1.00 13.51 C ATOM 1196 O TRP A 77 7.946 0.979 8.772 1.00 10.51 O ATOM 1197 CB TRP A 77 4.957 0.724 7.435 1.00 15.01 C ATOM 1198 CG TRP A 77 4.102 0.488 6.215 1.00 52.42 C ATOM 1199 CD1 TRP A 77 3.901 -0.683 5.535 1.00 1.04 C ATOM 1200 CD2 TRP A 77 3.305 1.470 5.556 1.00 14.22 C ATOM 1201 NE1 TRP A 77 3.054 -0.469 4.484 1.00 11.32 N ATOM 1202 CE2 TRP A 77 2.670 0.848 4.479 1.00 70.22 C ATOM 1203 CE3 TRP A 77 3.079 2.821 5.779 1.00 3.04 C ATOM 1204 CZ2 TRP A 77 1.824 1.543 3.621 1.00 31.20 C ATOM 1205 CZ3 TRP A 77 2.241 3.505 4.931 1.00 44.21 C ATOM 1206 CH2 TRP A 77 1.621 2.867 3.862 1.00 51.02 C ATOM 0 H TRP A 77 6.327 -0.585 9.660 1.00 63.42 H new ATOM 0 HA TRP A 77 6.287 -0.851 6.711 1.00 54.42 H new ATOM 0 HB2 TRP A 77 4.332 0.609 8.320 1.00 15.01 H new ATOM 0 HB3 TRP A 77 5.300 1.758 7.419 1.00 15.01 H new ATOM 0 HD1 TRP A 77 4.345 -1.634 5.791 1.00 1.04 H new ATOM 0 HE1 TRP A 77 2.755 -1.175 3.811 1.00 11.32 H new ATOM 0 HE3 TRP A 77 3.554 3.327 6.606 1.00 3.04 H new ATOM 0 HZ2 TRP A 77 1.344 1.048 2.790 1.00 31.20 H new ATOM 0 HZ3 TRP A 77 2.061 4.557 5.098 1.00 44.21 H new ATOM 0 HH2 TRP A 77 0.968 3.431 3.213 1.00 51.02 H new ATOM 1217 N GLN A 78 8.115 0.933 6.509 1.00 43.45 N ATOM 1218 CA GLN A 78 9.326 1.787 6.431 1.00 50.44 C ATOM 1219 C GLN A 78 9.378 2.567 5.101 1.00 11.25 C ATOM 1220 O GLN A 78 9.555 1.978 4.045 1.00 4.40 O ATOM 1221 CB GLN A 78 10.612 0.933 6.602 1.00 64.34 C ATOM 1222 CG GLN A 78 11.926 1.755 6.574 1.00 44.13 C ATOM 1223 CD GLN A 78 13.185 0.922 6.833 1.00 62.54 C ATOM 1224 OE1 GLN A 78 13.255 -0.256 6.492 1.00 4.44 O ATOM 1225 NE2 GLN A 78 14.187 1.529 7.445 1.00 62.42 N ATOM 0 H GLN A 78 7.784 0.604 5.602 1.00 43.45 H new ATOM 0 HA GLN A 78 9.273 2.509 7.246 1.00 50.44 H new ATOM 0 HB2 GLN A 78 10.554 0.393 7.547 1.00 64.34 H new ATOM 0 HB3 GLN A 78 10.647 0.185 5.810 1.00 64.34 H new ATOM 0 HG2 GLN A 78 12.018 2.242 5.603 1.00 44.13 H new ATOM 0 HG3 GLN A 78 11.865 2.545 7.322 1.00 44.13 H new ATOM 0 HE21 GLN A 78 14.101 2.508 7.717 1.00 62.42 H new ATOM 0 HE22 GLN A 78 15.047 1.018 7.646 1.00 62.42 H new ATOM 1234 N PHE A 79 9.240 3.894 5.176 1.00 54.43 N ATOM 1235 CA PHE A 79 9.290 4.790 4.001 1.00 32.13 C ATOM 1236 C PHE A 79 10.742 5.022 3.519 1.00 25.40 C ATOM 1237 O PHE A 79 11.662 5.139 4.332 1.00 3.30 O ATOM 1238 CB PHE A 79 8.642 6.145 4.341 1.00 43.14 C ATOM 1239 CG PHE A 79 7.203 6.045 4.828 1.00 35.23 C ATOM 1240 CD1 PHE A 79 6.146 6.012 3.923 1.00 31.41 C ATOM 1241 CD2 PHE A 79 6.911 5.996 6.189 1.00 3.23 C ATOM 1242 CE1 PHE A 79 4.844 5.934 4.369 1.00 5.51 C ATOM 1243 CE2 PHE A 79 5.609 5.923 6.634 1.00 11.22 C ATOM 1244 CZ PHE A 79 4.578 5.894 5.725 1.00 74.13 C ATOM 0 H PHE A 79 9.089 4.387 6.056 1.00 54.43 H new ATOM 0 HA PHE A 79 8.737 4.306 3.196 1.00 32.13 H new ATOM 0 HB2 PHE A 79 9.240 6.638 5.108 1.00 43.14 H new ATOM 0 HB3 PHE A 79 8.671 6.781 3.456 1.00 43.14 H new ATOM 0 HD1 PHE A 79 6.348 6.048 2.863 1.00 31.41 H new ATOM 0 HD2 PHE A 79 7.718 6.016 6.907 1.00 3.23 H new ATOM 0 HE1 PHE A 79 4.031 5.904 3.659 1.00 5.51 H new ATOM 0 HE2 PHE A 79 5.399 5.889 7.693 1.00 11.22 H new ATOM 0 HZ PHE A 79 3.557 5.840 6.072 1.00 74.13 H new ATOM 1254 N THR A 80 10.929 5.089 2.187 1.00 1.55 N ATOM 1255 CA THR A 80 12.229 5.417 1.559 1.00 70.23 C ATOM 1256 C THR A 80 12.164 6.762 0.783 1.00 54.04 C ATOM 1257 O THR A 80 12.510 7.807 1.337 1.00 23.21 O ATOM 1258 CB THR A 80 12.729 4.249 0.634 1.00 62.53 C ATOM 1259 OG1 THR A 80 11.702 3.877 -0.298 1.00 42.31 O ATOM 1260 CG2 THR A 80 13.132 3.009 1.445 1.00 53.52 C ATOM 0 H THR A 80 10.183 4.917 1.513 1.00 1.55 H new ATOM 0 HA THR A 80 12.957 5.537 2.362 1.00 70.23 H new ATOM 0 HB THR A 80 13.606 4.617 0.102 1.00 62.53 H new ATOM 0 HG1 THR A 80 12.028 4.007 -1.213 1.00 42.31 H new ATOM 0 HG21 THR A 80 13.471 2.226 0.767 1.00 53.52 H new ATOM 0 HG22 THR A 80 13.938 3.269 2.131 1.00 53.52 H new ATOM 0 HG23 THR A 80 12.273 2.651 2.013 1.00 53.52 H new ATOM 1268 N THR A 81 11.694 6.750 -0.481 1.00 3.13 N ATOM 1269 CA THR A 81 11.728 7.951 -1.361 1.00 14.43 C ATOM 1270 C THR A 81 10.379 8.697 -1.337 1.00 64.11 C ATOM 1271 O THR A 81 9.425 8.304 -2.015 1.00 3.24 O ATOM 1272 CB THR A 81 12.088 7.586 -2.844 1.00 10.12 C ATOM 1273 OG1 THR A 81 13.299 6.811 -2.883 1.00 61.00 O ATOM 1274 CG2 THR A 81 12.247 8.835 -3.737 1.00 65.32 C ATOM 0 H THR A 81 11.285 5.926 -0.921 1.00 3.13 H new ATOM 0 HA THR A 81 12.509 8.600 -0.965 1.00 14.43 H new ATOM 0 HB THR A 81 11.257 7.002 -3.238 1.00 10.12 H new ATOM 0 HG1 THR A 81 13.097 5.904 -3.194 1.00 61.00 H new ATOM 0 HG21 THR A 81 12.496 8.527 -4.753 1.00 65.32 H new ATOM 0 HG22 THR A 81 11.313 9.397 -3.747 1.00 65.32 H new ATOM 0 HG23 THR A 81 13.045 9.465 -3.343 1.00 65.32 H new ATOM 1282 N ILE A 82 10.306 9.766 -0.534 1.00 53.44 N ATOM 1283 CA ILE A 82 9.132 10.660 -0.479 1.00 10.32 C ATOM 1284 C ILE A 82 9.504 12.025 -1.093 1.00 12.22 C ATOM 1285 O ILE A 82 10.127 12.863 -0.433 1.00 60.53 O ATOM 1286 CB ILE A 82 8.610 10.848 0.997 1.00 30.01 C ATOM 1287 CG1 ILE A 82 8.307 9.456 1.639 1.00 54.33 C ATOM 1288 CG2 ILE A 82 7.365 11.779 1.039 1.00 22.33 C ATOM 1289 CD1 ILE A 82 7.659 9.499 3.011 1.00 55.03 C ATOM 0 H ILE A 82 11.058 10.040 0.098 1.00 53.44 H new ATOM 0 HA ILE A 82 8.325 10.204 -1.052 1.00 10.32 H new ATOM 0 HB ILE A 82 9.391 11.332 1.583 1.00 30.01 H new ATOM 0 HG12 ILE A 82 7.656 8.898 0.966 1.00 54.33 H new ATOM 0 HG13 ILE A 82 9.241 8.899 1.714 1.00 54.33 H new ATOM 0 HG21 ILE A 82 7.028 11.890 2.070 1.00 22.33 H new ATOM 0 HG22 ILE A 82 7.628 12.757 0.636 1.00 22.33 H new ATOM 0 HG23 ILE A 82 6.565 11.344 0.440 1.00 22.33 H new ATOM 0 HD11 ILE A 82 7.491 8.482 3.366 1.00 55.03 H new ATOM 0 HD12 ILE A 82 8.314 10.023 3.707 1.00 55.03 H new ATOM 0 HD13 ILE A 82 6.705 10.023 2.947 1.00 55.03 H new ATOM 1301 N GLU A 83 9.158 12.217 -2.377 1.00 64.31 N ATOM 1302 CA GLU A 83 9.412 13.489 -3.090 1.00 73.41 C ATOM 1303 C GLU A 83 8.231 14.471 -2.906 1.00 61.34 C ATOM 1304 O GLU A 83 8.445 15.658 -2.615 1.00 74.14 O ATOM 1305 CB GLU A 83 9.688 13.243 -4.599 1.00 71.52 C ATOM 1306 CG GLU A 83 10.939 12.376 -4.891 1.00 63.35 C ATOM 1307 CD GLU A 83 11.428 12.472 -6.349 1.00 34.12 C ATOM 1308 OE1 GLU A 83 11.879 13.564 -6.758 1.00 72.31 O ATOM 1309 OE2 GLU A 83 11.375 11.470 -7.081 1.00 1.13 O ATOM 0 H GLU A 83 8.700 11.507 -2.948 1.00 64.31 H new ATOM 0 HA GLU A 83 10.303 13.940 -2.654 1.00 73.41 H new ATOM 0 HB2 GLU A 83 8.816 12.761 -5.041 1.00 71.52 H new ATOM 0 HB3 GLU A 83 9.805 14.206 -5.096 1.00 71.52 H new ATOM 0 HG2 GLU A 83 11.746 12.681 -4.225 1.00 63.35 H new ATOM 0 HG3 GLU A 83 10.712 11.335 -4.660 1.00 63.35 H new ATOM 1316 N ALA A 84 6.993 13.942 -3.078 1.00 62.12 N ATOM 1317 CA ALA A 84 5.722 14.714 -2.995 1.00 34.32 C ATOM 1318 C ALA A 84 5.546 15.748 -4.161 1.00 45.02 C ATOM 1319 O ALA A 84 6.517 16.372 -4.600 1.00 40.03 O ATOM 1320 CB ALA A 84 5.561 15.390 -1.607 1.00 71.43 C ATOM 0 H ALA A 84 6.845 12.953 -3.281 1.00 62.12 H new ATOM 0 HA ALA A 84 4.918 13.987 -3.115 1.00 34.32 H new ATOM 0 HB1 ALA A 84 4.624 15.945 -1.579 1.00 71.43 H new ATOM 0 HB2 ALA A 84 5.554 14.626 -0.829 1.00 71.43 H new ATOM 0 HB3 ALA A 84 6.393 16.074 -1.437 1.00 71.43 H new ATOM 1326 N PRO A 85 4.292 15.964 -4.693 1.00 4.13 N ATOM 1327 CA PRO A 85 3.037 15.299 -4.235 1.00 24.25 C ATOM 1328 C PRO A 85 2.693 14.001 -5.015 1.00 2.55 C ATOM 1329 O PRO A 85 1.603 13.457 -4.855 1.00 3.43 O ATOM 1330 CB PRO A 85 2.003 16.405 -4.522 1.00 10.44 C ATOM 1331 CG PRO A 85 2.470 17.002 -5.826 1.00 10.20 C ATOM 1332 CD PRO A 85 3.997 16.921 -5.802 1.00 42.21 C ATOM 0 HA PRO A 85 3.091 14.959 -3.201 1.00 24.25 H new ATOM 0 HB2 PRO A 85 0.995 15.999 -4.606 1.00 10.44 H new ATOM 0 HB3 PRO A 85 1.981 17.149 -3.726 1.00 10.44 H new ATOM 0 HG2 PRO A 85 2.063 16.452 -6.675 1.00 10.20 H new ATOM 0 HG3 PRO A 85 2.135 18.035 -5.925 1.00 10.20 H new ATOM 0 HD2 PRO A 85 4.393 16.564 -6.753 1.00 42.21 H new ATOM 0 HD3 PRO A 85 4.445 17.897 -5.617 1.00 42.21 H new ATOM 1340 N ASP A 86 3.622 13.531 -5.860 1.00 43.40 N ATOM 1341 CA ASP A 86 3.392 12.391 -6.770 1.00 31.32 C ATOM 1342 C ASP A 86 4.142 11.111 -6.316 1.00 14.43 C ATOM 1343 O ASP A 86 3.536 10.050 -6.150 1.00 33.42 O ATOM 1344 CB ASP A 86 3.793 12.808 -8.217 1.00 15.24 C ATOM 1345 CG ASP A 86 5.262 13.266 -8.349 1.00 30.30 C ATOM 1346 OD1 ASP A 86 5.587 14.382 -7.885 1.00 21.33 O ATOM 1347 OD2 ASP A 86 6.100 12.507 -8.884 1.00 44.15 O ATOM 0 H ASP A 86 4.558 13.930 -5.935 1.00 43.40 H new ATOM 0 HA ASP A 86 2.332 12.137 -6.747 1.00 31.32 H new ATOM 0 HB2 ASP A 86 3.623 11.966 -8.888 1.00 15.24 H new ATOM 0 HB3 ASP A 86 3.139 13.616 -8.547 1.00 15.24 H new ATOM 1352 N HIS A 87 5.464 11.225 -6.105 1.00 23.24 N ATOM 1353 CA HIS A 87 6.347 10.061 -5.882 1.00 25.12 C ATOM 1354 C HIS A 87 6.445 9.689 -4.376 1.00 71.43 C ATOM 1355 O HIS A 87 6.957 10.456 -3.554 1.00 32.12 O ATOM 1356 CB HIS A 87 7.754 10.353 -6.474 1.00 24.44 C ATOM 1357 CG HIS A 87 8.673 9.153 -6.621 1.00 42.21 C ATOM 1358 ND1 HIS A 87 9.823 9.187 -7.377 1.00 74.22 N ATOM 1359 CD2 HIS A 87 8.626 7.895 -6.107 1.00 3.20 C ATOM 1360 CE1 HIS A 87 10.433 8.029 -7.323 1.00 43.03 C ATOM 1361 NE2 HIS A 87 9.730 7.228 -6.563 1.00 23.35 N ATOM 0 H HIS A 87 5.952 12.121 -6.084 1.00 23.24 H new ATOM 0 HA HIS A 87 5.914 9.201 -6.393 1.00 25.12 H new ATOM 0 HB2 HIS A 87 7.626 10.811 -7.455 1.00 24.44 H new ATOM 0 HB3 HIS A 87 8.248 11.089 -5.840 1.00 24.44 H new ATOM 0 HD2 HIS A 87 7.859 7.496 -5.459 1.00 3.20 H new ATOM 0 HE1 HIS A 87 11.358 7.778 -7.821 1.00 43.03 H new ATOM 0 HE2 HIS A 87 9.968 6.260 -6.345 1.00 23.35 H new ATOM 1370 N LEU A 88 5.945 8.491 -4.058 1.00 63.32 N ATOM 1371 CA LEU A 88 6.113 7.822 -2.754 1.00 42.33 C ATOM 1372 C LEU A 88 6.778 6.446 -2.973 1.00 74.53 C ATOM 1373 O LEU A 88 6.485 5.758 -3.950 1.00 62.12 O ATOM 1374 CB LEU A 88 4.733 7.651 -2.053 1.00 31.20 C ATOM 1375 CG LEU A 88 4.693 6.806 -0.733 1.00 2.22 C ATOM 1376 CD1 LEU A 88 5.632 7.375 0.347 1.00 64.45 C ATOM 1377 CD2 LEU A 88 3.255 6.680 -0.197 1.00 54.34 C ATOM 0 H LEU A 88 5.395 7.940 -4.717 1.00 63.32 H new ATOM 0 HA LEU A 88 6.748 8.433 -2.112 1.00 42.33 H new ATOM 0 HB2 LEU A 88 4.344 8.644 -1.829 1.00 31.20 H new ATOM 0 HB3 LEU A 88 4.047 7.194 -2.766 1.00 31.20 H new ATOM 0 HG LEU A 88 5.053 5.808 -0.983 1.00 2.22 H new ATOM 0 HD11 LEU A 88 5.572 6.758 1.243 1.00 64.45 H new ATOM 0 HD12 LEU A 88 6.657 7.375 -0.025 1.00 64.45 H new ATOM 0 HD13 LEU A 88 5.333 8.395 0.588 1.00 64.45 H new ATOM 0 HD21 LEU A 88 3.259 6.089 0.719 1.00 54.34 H new ATOM 0 HD22 LEU A 88 2.857 7.673 0.013 1.00 54.34 H new ATOM 0 HD23 LEU A 88 2.630 6.189 -0.943 1.00 54.34 H new ATOM 1389 N GLU A 89 7.719 6.089 -2.092 1.00 64.44 N ATOM 1390 CA GLU A 89 8.266 4.724 -1.983 1.00 23.05 C ATOM 1391 C GLU A 89 8.298 4.305 -0.507 1.00 53.32 C ATOM 1392 O GLU A 89 8.573 5.126 0.376 1.00 11.21 O ATOM 1393 CB GLU A 89 9.700 4.615 -2.575 1.00 3.31 C ATOM 1394 CG GLU A 89 9.802 4.723 -4.106 1.00 54.13 C ATOM 1395 CD GLU A 89 11.238 4.607 -4.668 1.00 1.22 C ATOM 1396 OE1 GLU A 89 12.137 4.104 -3.965 1.00 4.21 O ATOM 1397 OE2 GLU A 89 11.471 5.033 -5.815 1.00 70.12 O ATOM 0 H GLU A 89 8.129 6.743 -1.426 1.00 64.44 H new ATOM 0 HA GLU A 89 7.617 4.063 -2.558 1.00 23.05 H new ATOM 0 HB2 GLU A 89 10.316 5.398 -2.133 1.00 3.31 H new ATOM 0 HB3 GLU A 89 10.128 3.661 -2.268 1.00 3.31 H new ATOM 0 HG2 GLU A 89 9.187 3.942 -4.553 1.00 54.13 H new ATOM 0 HG3 GLU A 89 9.380 5.679 -4.418 1.00 54.13 H new ATOM 1404 N PHE A 90 8.017 3.025 -0.266 1.00 64.51 N ATOM 1405 CA PHE A 90 8.139 2.395 1.054 1.00 50.22 C ATOM 1406 C PHE A 90 8.411 0.890 0.890 1.00 73.31 C ATOM 1407 O PHE A 90 8.413 0.360 -0.224 1.00 43.42 O ATOM 1408 CB PHE A 90 6.871 2.658 1.934 1.00 33.41 C ATOM 1409 CG PHE A 90 5.543 2.137 1.373 1.00 2.24 C ATOM 1410 CD1 PHE A 90 5.142 0.812 1.573 1.00 23.31 C ATOM 1411 CD2 PHE A 90 4.686 2.976 0.656 1.00 40.52 C ATOM 1412 CE1 PHE A 90 3.940 0.347 1.073 1.00 75.32 C ATOM 1413 CE2 PHE A 90 3.486 2.508 0.161 1.00 71.25 C ATOM 1414 CZ PHE A 90 3.113 1.196 0.366 1.00 23.11 C ATOM 0 H PHE A 90 7.693 2.385 -0.991 1.00 64.51 H new ATOM 0 HA PHE A 90 8.983 2.844 1.577 1.00 50.22 H new ATOM 0 HB2 PHE A 90 7.032 2.205 2.912 1.00 33.41 H new ATOM 0 HB3 PHE A 90 6.779 3.733 2.092 1.00 33.41 H new ATOM 0 HD1 PHE A 90 5.782 0.141 2.127 1.00 23.31 H new ATOM 0 HD2 PHE A 90 4.967 4.005 0.487 1.00 40.52 H new ATOM 0 HE1 PHE A 90 3.648 -0.680 1.236 1.00 75.32 H new ATOM 0 HE2 PHE A 90 2.836 3.172 -0.389 1.00 71.25 H new ATOM 0 HZ PHE A 90 2.174 0.833 -0.026 1.00 23.11 H new ATOM 1424 N ASP A 91 8.659 0.220 2.012 1.00 14.44 N ATOM 1425 CA ASP A 91 8.831 -1.228 2.088 1.00 64.51 C ATOM 1426 C ASP A 91 7.726 -1.808 2.984 1.00 43.21 C ATOM 1427 O ASP A 91 7.764 -1.655 4.213 1.00 23.14 O ATOM 1428 CB ASP A 91 10.237 -1.567 2.635 1.00 4.10 C ATOM 1429 CG ASP A 91 11.351 -1.159 1.656 1.00 21.23 C ATOM 1430 OD1 ASP A 91 11.641 0.050 1.540 1.00 45.42 O ATOM 1431 OD2 ASP A 91 11.928 -2.040 0.974 1.00 54.15 O ATOM 0 H ASP A 91 8.748 0.681 2.917 1.00 14.44 H new ATOM 0 HA ASP A 91 8.750 -1.671 1.095 1.00 64.51 H new ATOM 0 HB2 ASP A 91 10.388 -1.059 3.587 1.00 4.10 H new ATOM 0 HB3 ASP A 91 10.301 -2.637 2.831 1.00 4.10 H new ATOM 1436 N ASP A 92 6.706 -2.404 2.342 1.00 41.55 N ATOM 1437 CA ASP A 92 5.619 -3.100 3.039 1.00 3.10 C ATOM 1438 C ASP A 92 6.121 -4.460 3.582 1.00 30.02 C ATOM 1439 O ASP A 92 6.981 -5.113 2.964 1.00 12.22 O ATOM 1440 CB ASP A 92 4.410 -3.294 2.082 1.00 45.32 C ATOM 1441 CG ASP A 92 3.182 -3.930 2.771 1.00 61.23 C ATOM 1442 OD1 ASP A 92 2.398 -3.186 3.406 1.00 41.14 O ATOM 1443 OD2 ASP A 92 3.019 -5.170 2.701 1.00 54.44 O ATOM 0 H ASP A 92 6.615 -2.415 1.326 1.00 41.55 H new ATOM 0 HA ASP A 92 5.291 -2.496 3.885 1.00 3.10 H new ATOM 0 HB2 ASP A 92 4.125 -2.327 1.667 1.00 45.32 H new ATOM 0 HB3 ASP A 92 4.715 -3.923 1.245 1.00 45.32 H new ATOM 1448 N GLY A 93 5.597 -4.859 4.744 1.00 42.30 N ATOM 1449 CA GLY A 93 5.943 -6.140 5.344 1.00 41.33 C ATOM 1450 C GLY A 93 5.067 -6.488 6.537 1.00 74.21 C ATOM 1451 O GLY A 93 4.610 -5.611 7.280 1.00 13.50 O ATOM 0 H GLY A 93 4.930 -4.308 5.285 1.00 42.30 H new ATOM 0 HA2 GLY A 93 5.853 -6.924 4.592 1.00 41.33 H new ATOM 0 HA3 GLY A 93 6.986 -6.118 5.659 1.00 41.33 H new ATOM 1455 N PHE A 94 4.868 -7.788 6.741 1.00 53.42 N ATOM 1456 CA PHE A 94 4.065 -8.320 7.851 1.00 61.35 C ATOM 1457 C PHE A 94 4.971 -8.554 9.072 1.00 23.13 C ATOM 1458 O PHE A 94 6.115 -9.002 8.923 1.00 45.51 O ATOM 1459 CB PHE A 94 3.375 -9.637 7.423 1.00 41.35 C ATOM 1460 CG PHE A 94 2.387 -9.470 6.268 1.00 22.31 C ATOM 1461 CD1 PHE A 94 2.833 -9.381 4.947 1.00 24.33 C ATOM 1462 CD2 PHE A 94 1.012 -9.396 6.502 1.00 40.33 C ATOM 1463 CE1 PHE A 94 1.940 -9.220 3.904 1.00 41.11 C ATOM 1464 CE2 PHE A 94 0.121 -9.238 5.456 1.00 14.51 C ATOM 1465 CZ PHE A 94 0.585 -9.149 4.159 1.00 72.01 C ATOM 0 H PHE A 94 5.260 -8.512 6.139 1.00 53.42 H new ATOM 0 HA PHE A 94 3.291 -7.600 8.118 1.00 61.35 H new ATOM 0 HB2 PHE A 94 4.139 -10.359 7.134 1.00 41.35 H new ATOM 0 HB3 PHE A 94 2.849 -10.056 8.281 1.00 41.35 H new ATOM 0 HD1 PHE A 94 3.891 -9.439 4.738 1.00 24.33 H new ATOM 0 HD2 PHE A 94 0.639 -9.463 7.513 1.00 40.33 H new ATOM 0 HE1 PHE A 94 2.303 -9.150 2.889 1.00 41.11 H new ATOM 0 HE2 PHE A 94 -0.939 -9.184 5.654 1.00 14.51 H new ATOM 0 HZ PHE A 94 -0.112 -9.024 3.344 1.00 72.01 H new ATOM 1475 N ALA A 95 4.471 -8.218 10.267 1.00 71.35 N ATOM 1476 CA ALA A 95 5.205 -8.411 11.534 1.00 13.20 C ATOM 1477 C ALA A 95 4.623 -9.584 12.342 1.00 41.31 C ATOM 1478 O ALA A 95 3.534 -10.100 12.054 1.00 40.33 O ATOM 1479 CB ALA A 95 5.180 -7.114 12.366 1.00 64.01 C ATOM 0 H ALA A 95 3.547 -7.804 10.388 1.00 71.35 H new ATOM 0 HA ALA A 95 6.240 -8.655 11.294 1.00 13.20 H new ATOM 0 HB1 ALA A 95 5.724 -7.269 13.298 1.00 64.01 H new ATOM 0 HB2 ALA A 95 5.650 -6.310 11.800 1.00 64.01 H new ATOM 0 HB3 ALA A 95 4.148 -6.845 12.589 1.00 64.01 H new ATOM 1485 N ASP A 96 5.393 -10.007 13.340 1.00 20.52 N ATOM 1486 CA ASP A 96 4.980 -11.016 14.321 1.00 14.43 C ATOM 1487 C ASP A 96 4.080 -10.363 15.406 1.00 4.10 C ATOM 1488 O ASP A 96 3.978 -9.130 15.484 1.00 32.34 O ATOM 1489 CB ASP A 96 6.275 -11.638 14.911 1.00 4.31 C ATOM 1490 CG ASP A 96 6.035 -12.651 16.029 1.00 70.51 C ATOM 1491 OD1 ASP A 96 5.617 -13.789 15.747 1.00 51.35 O ATOM 1492 OD2 ASP A 96 6.246 -12.302 17.204 1.00 24.33 O ATOM 0 H ASP A 96 6.338 -9.655 13.496 1.00 20.52 H new ATOM 0 HA ASP A 96 4.382 -11.805 13.865 1.00 14.43 H new ATOM 0 HB2 ASP A 96 6.828 -12.125 14.108 1.00 4.31 H new ATOM 0 HB3 ASP A 96 6.907 -10.837 15.293 1.00 4.31 H new ATOM 1497 N GLU A 97 3.432 -11.192 16.244 1.00 35.24 N ATOM 1498 CA GLU A 97 2.572 -10.725 17.363 1.00 40.54 C ATOM 1499 C GLU A 97 3.337 -9.842 18.395 1.00 23.44 C ATOM 1500 O GLU A 97 2.715 -9.164 19.217 1.00 13.13 O ATOM 1501 CB GLU A 97 1.941 -11.949 18.074 1.00 64.23 C ATOM 1502 CG GLU A 97 2.956 -12.881 18.771 1.00 23.20 C ATOM 1503 CD GLU A 97 2.300 -14.087 19.457 1.00 22.04 C ATOM 1504 OE1 GLU A 97 1.880 -13.959 20.627 1.00 3.53 O ATOM 1505 OE2 GLU A 97 2.193 -15.161 18.830 1.00 4.33 O ATOM 0 H GLU A 97 3.486 -12.208 16.170 1.00 35.24 H new ATOM 0 HA GLU A 97 1.795 -10.094 16.931 1.00 40.54 H new ATOM 0 HB2 GLU A 97 1.226 -11.593 18.815 1.00 64.23 H new ATOM 0 HB3 GLU A 97 1.379 -12.528 17.341 1.00 64.23 H new ATOM 0 HG2 GLU A 97 3.676 -13.238 18.035 1.00 23.20 H new ATOM 0 HG3 GLU A 97 3.514 -12.309 19.512 1.00 23.20 H new ATOM 1512 N HIS A 98 4.686 -9.894 18.365 1.00 4.34 N ATOM 1513 CA HIS A 98 5.559 -9.046 19.215 1.00 74.31 C ATOM 1514 C HIS A 98 6.193 -7.879 18.411 1.00 5.22 C ATOM 1515 O HIS A 98 6.719 -6.926 19.002 1.00 65.12 O ATOM 1516 CB HIS A 98 6.665 -9.914 19.871 1.00 74.21 C ATOM 1517 CG HIS A 98 6.140 -11.131 20.596 1.00 62.52 C ATOM 1518 ND1 HIS A 98 5.361 -11.066 21.732 1.00 1.21 N ATOM 1519 CD2 HIS A 98 6.260 -12.447 20.312 1.00 50.22 C ATOM 1520 CE1 HIS A 98 5.028 -12.287 22.108 1.00 3.32 C ATOM 1521 NE2 HIS A 98 5.560 -13.141 21.266 1.00 70.45 N ATOM 0 H HIS A 98 5.203 -10.524 17.752 1.00 4.34 H new ATOM 0 HA HIS A 98 4.937 -8.604 19.994 1.00 74.31 H new ATOM 0 HB2 HIS A 98 7.365 -10.237 19.100 1.00 74.21 H new ATOM 0 HB3 HIS A 98 7.227 -9.299 20.574 1.00 74.21 H new ATOM 0 HD2 HIS A 98 6.807 -12.874 19.485 1.00 50.22 H new ATOM 0 HE1 HIS A 98 4.420 -12.540 22.964 1.00 3.32 H new ATOM 0 HE2 HIS A 98 5.468 -14.156 21.313 1.00 70.45 H new ATOM 1530 N GLY A 99 6.125 -7.960 17.062 1.00 61.13 N ATOM 1531 CA GLY A 99 6.625 -6.890 16.172 1.00 3.11 C ATOM 1532 C GLY A 99 7.854 -7.268 15.329 1.00 25.31 C ATOM 1533 O GLY A 99 8.400 -6.410 14.626 1.00 52.23 O ATOM 0 H GLY A 99 5.727 -8.758 16.566 1.00 61.13 H new ATOM 0 HA2 GLY A 99 5.820 -6.591 15.500 1.00 3.11 H new ATOM 0 HA3 GLY A 99 6.873 -6.019 16.779 1.00 3.11 H new ATOM 1537 N ALA A 100 8.287 -8.543 15.387 1.00 21.00 N ATOM 1538 CA ALA A 100 9.461 -9.031 14.613 1.00 54.20 C ATOM 1539 C ALA A 100 9.106 -9.252 13.108 1.00 52.44 C ATOM 1540 O ALA A 100 8.161 -9.978 12.811 1.00 73.04 O ATOM 1541 CB ALA A 100 9.997 -10.330 15.239 1.00 52.43 C ATOM 0 H ALA A 100 7.844 -9.260 15.962 1.00 21.00 H new ATOM 0 HA ALA A 100 10.237 -8.266 14.655 1.00 54.20 H new ATOM 0 HB1 ALA A 100 10.856 -10.682 14.668 1.00 52.43 H new ATOM 0 HB2 ALA A 100 10.299 -10.140 16.269 1.00 52.43 H new ATOM 0 HB3 ALA A 100 9.216 -11.090 15.225 1.00 52.43 H new ATOM 1547 N PRO A 101 9.865 -8.636 12.133 1.00 71.45 N ATOM 1548 CA PRO A 101 9.581 -8.782 10.670 1.00 44.24 C ATOM 1549 C PRO A 101 9.599 -10.266 10.180 1.00 31.24 C ATOM 1550 O PRO A 101 10.622 -10.956 10.289 1.00 62.31 O ATOM 1551 CB PRO A 101 10.706 -7.937 9.996 1.00 21.44 C ATOM 1552 CG PRO A 101 11.776 -7.812 11.046 1.00 30.43 C ATOM 1553 CD PRO A 101 11.040 -7.750 12.366 1.00 63.20 C ATOM 0 HA PRO A 101 8.576 -8.444 10.418 1.00 44.24 H new ATOM 0 HB2 PRO A 101 11.086 -8.428 9.100 1.00 21.44 H new ATOM 0 HB3 PRO A 101 10.336 -6.958 9.690 1.00 21.44 H new ATOM 0 HG2 PRO A 101 12.457 -8.663 11.016 1.00 30.43 H new ATOM 0 HG3 PRO A 101 12.377 -6.916 10.889 1.00 30.43 H new ATOM 0 HD2 PRO A 101 11.658 -8.106 13.190 1.00 63.20 H new ATOM 0 HD3 PRO A 101 10.736 -6.732 12.612 1.00 63.20 H new ATOM 1561 N VAL A 102 8.442 -10.738 9.666 1.00 3.22 N ATOM 1562 CA VAL A 102 8.275 -12.119 9.152 1.00 51.14 C ATOM 1563 C VAL A 102 9.156 -12.355 7.894 1.00 10.41 C ATOM 1564 O VAL A 102 8.883 -11.822 6.814 1.00 3.41 O ATOM 1565 CB VAL A 102 6.757 -12.428 8.842 1.00 70.32 C ATOM 1566 CG1 VAL A 102 6.551 -13.856 8.265 1.00 33.31 C ATOM 1567 CG2 VAL A 102 5.891 -12.227 10.110 1.00 11.24 C ATOM 0 H VAL A 102 7.596 -10.173 9.595 1.00 3.22 H new ATOM 0 HA VAL A 102 8.607 -12.807 9.929 1.00 51.14 H new ATOM 0 HB VAL A 102 6.437 -11.722 8.076 1.00 70.32 H new ATOM 0 HG11 VAL A 102 5.491 -14.020 8.069 1.00 33.31 H new ATOM 0 HG12 VAL A 102 7.112 -13.957 7.336 1.00 33.31 H new ATOM 0 HG13 VAL A 102 6.905 -14.594 8.985 1.00 33.31 H new ATOM 0 HG21 VAL A 102 4.849 -12.444 9.877 1.00 11.24 H new ATOM 0 HG22 VAL A 102 6.235 -12.899 10.896 1.00 11.24 H new ATOM 0 HG23 VAL A 102 5.979 -11.195 10.451 1.00 11.24 H new ATOM 1577 N ASP A 103 10.223 -13.150 8.076 1.00 33.21 N ATOM 1578 CA ASP A 103 11.230 -13.440 7.030 1.00 23.14 C ATOM 1579 C ASP A 103 10.641 -14.348 5.920 1.00 20.24 C ATOM 1580 O ASP A 103 11.050 -14.274 4.755 1.00 22.22 O ATOM 1581 CB ASP A 103 12.466 -14.099 7.703 1.00 74.12 C ATOM 1582 CG ASP A 103 13.671 -14.266 6.761 1.00 41.04 C ATOM 1583 OD1 ASP A 103 14.325 -13.254 6.437 1.00 61.11 O ATOM 1584 OD2 ASP A 103 13.965 -15.405 6.342 1.00 11.51 O ATOM 0 H ASP A 103 10.417 -13.617 8.962 1.00 33.21 H new ATOM 0 HA ASP A 103 11.532 -12.511 6.547 1.00 23.14 H new ATOM 0 HB2 ASP A 103 12.767 -13.495 8.559 1.00 74.12 H new ATOM 0 HB3 ASP A 103 12.180 -15.078 8.088 1.00 74.12 H new ATOM 1589 N GLU A 104 9.673 -15.190 6.315 1.00 43.24 N ATOM 1590 CA GLU A 104 8.926 -16.086 5.409 1.00 71.42 C ATOM 1591 C GLU A 104 8.151 -15.296 4.318 1.00 35.34 C ATOM 1592 O GLU A 104 8.152 -15.668 3.137 1.00 34.10 O ATOM 1593 CB GLU A 104 7.957 -16.938 6.266 1.00 62.21 C ATOM 1594 CG GLU A 104 7.137 -17.979 5.487 1.00 33.14 C ATOM 1595 CD GLU A 104 6.248 -18.844 6.401 1.00 60.21 C ATOM 1596 OE1 GLU A 104 6.784 -19.765 7.057 1.00 31.32 O ATOM 1597 OE2 GLU A 104 5.023 -18.606 6.470 1.00 31.13 O ATOM 0 H GLU A 104 9.380 -15.271 7.289 1.00 43.24 H new ATOM 0 HA GLU A 104 9.630 -16.729 4.880 1.00 71.42 H new ATOM 0 HB2 GLU A 104 8.534 -17.454 7.033 1.00 62.21 H new ATOM 0 HB3 GLU A 104 7.268 -16.268 6.781 1.00 62.21 H new ATOM 0 HG2 GLU A 104 6.510 -17.468 4.756 1.00 33.14 H new ATOM 0 HG3 GLU A 104 7.815 -18.625 4.929 1.00 33.14 H new ATOM 1604 N LEU A 105 7.502 -14.198 4.739 1.00 10.45 N ATOM 1605 CA LEU A 105 6.774 -13.275 3.838 1.00 12.44 C ATOM 1606 C LEU A 105 7.710 -12.201 3.231 1.00 60.13 C ATOM 1607 O LEU A 105 7.359 -11.563 2.234 1.00 43.44 O ATOM 1608 CB LEU A 105 5.594 -12.638 4.620 1.00 15.03 C ATOM 1609 CG LEU A 105 4.465 -13.645 5.024 1.00 75.32 C ATOM 1610 CD1 LEU A 105 3.421 -13.009 5.961 1.00 44.33 C ATOM 1611 CD2 LEU A 105 3.793 -14.234 3.768 1.00 12.23 C ATOM 0 H LEU A 105 7.465 -13.920 5.720 1.00 10.45 H new ATOM 0 HA LEU A 105 6.380 -13.839 2.993 1.00 12.44 H new ATOM 0 HB2 LEU A 105 5.984 -12.168 5.523 1.00 15.03 H new ATOM 0 HB3 LEU A 105 5.157 -11.846 4.012 1.00 15.03 H new ATOM 0 HG LEU A 105 4.937 -14.454 5.582 1.00 75.32 H new ATOM 0 HD11 LEU A 105 2.660 -13.748 6.212 1.00 44.33 H new ATOM 0 HD12 LEU A 105 3.911 -12.668 6.873 1.00 44.33 H new ATOM 0 HD13 LEU A 105 2.953 -12.161 5.462 1.00 44.33 H new ATOM 0 HD21 LEU A 105 3.011 -14.932 4.067 1.00 12.23 H new ATOM 0 HD22 LEU A 105 3.355 -13.429 3.178 1.00 12.23 H new ATOM 0 HD23 LEU A 105 4.538 -14.759 3.169 1.00 12.23 H new ATOM 1623 N GLY A 106 8.893 -12.008 3.853 1.00 21.52 N ATOM 1624 CA GLY A 106 9.953 -11.144 3.306 1.00 5.11 C ATOM 1625 C GLY A 106 9.650 -9.637 3.357 1.00 72.33 C ATOM 1626 O GLY A 106 8.823 -9.177 4.153 1.00 40.52 O ATOM 0 H GLY A 106 9.136 -12.445 4.742 1.00 21.52 H new ATOM 0 HA2 GLY A 106 10.875 -11.333 3.855 1.00 5.11 H new ATOM 0 HA3 GLY A 106 10.135 -11.428 2.270 1.00 5.11 H new ATOM 1630 N VAL A 107 10.361 -8.873 2.503 1.00 24.45 N ATOM 1631 CA VAL A 107 10.221 -7.400 2.386 1.00 42.53 C ATOM 1632 C VAL A 107 9.913 -7.035 0.912 1.00 33.01 C ATOM 1633 O VAL A 107 10.614 -7.496 0.001 1.00 2.44 O ATOM 1634 CB VAL A 107 11.546 -6.662 2.845 1.00 43.15 C ATOM 1635 CG1 VAL A 107 11.382 -5.120 2.791 1.00 74.42 C ATOM 1636 CG2 VAL A 107 11.997 -7.119 4.262 1.00 42.14 C ATOM 0 H VAL A 107 11.057 -9.262 1.867 1.00 24.45 H new ATOM 0 HA VAL A 107 9.407 -7.076 3.034 1.00 42.53 H new ATOM 0 HB VAL A 107 12.329 -6.943 2.141 1.00 43.15 H new ATOM 0 HG11 VAL A 107 12.309 -4.644 3.112 1.00 74.42 H new ATOM 0 HG12 VAL A 107 11.152 -4.814 1.771 1.00 74.42 H new ATOM 0 HG13 VAL A 107 10.570 -4.817 3.453 1.00 74.42 H new ATOM 0 HG21 VAL A 107 12.909 -6.591 4.542 1.00 42.14 H new ATOM 0 HG22 VAL A 107 11.212 -6.895 4.984 1.00 42.14 H new ATOM 0 HG23 VAL A 107 12.187 -8.192 4.255 1.00 42.14 H new ATOM 1646 N THR A 108 8.855 -6.229 0.671 1.00 42.32 N ATOM 1647 CA THR A 108 8.479 -5.788 -0.699 1.00 45.03 C ATOM 1648 C THR A 108 8.479 -4.244 -0.819 1.00 74.44 C ATOM 1649 O THR A 108 7.822 -3.544 -0.045 1.00 21.34 O ATOM 1650 CB THR A 108 7.097 -6.378 -1.157 1.00 21.40 C ATOM 1651 OG1 THR A 108 6.775 -5.909 -2.482 1.00 44.11 O ATOM 1652 CG2 THR A 108 5.935 -6.050 -0.193 1.00 5.33 C ATOM 0 H THR A 108 8.244 -5.869 1.404 1.00 42.32 H new ATOM 0 HA THR A 108 9.241 -6.183 -1.370 1.00 45.03 H new ATOM 0 HB THR A 108 7.211 -7.462 -1.153 1.00 21.40 H new ATOM 0 HG1 THR A 108 7.584 -5.909 -3.035 1.00 44.11 H new ATOM 0 HG21 THR A 108 5.012 -6.489 -0.573 1.00 5.33 H new ATOM 0 HG22 THR A 108 6.153 -6.460 0.793 1.00 5.33 H new ATOM 0 HG23 THR A 108 5.818 -4.969 -0.118 1.00 5.33 H new ATOM 1660 N HIS A 109 9.240 -3.725 -1.801 1.00 74.11 N ATOM 1661 CA HIS A 109 9.419 -2.271 -2.004 1.00 52.31 C ATOM 1662 C HIS A 109 8.308 -1.724 -2.937 1.00 50.02 C ATOM 1663 O HIS A 109 8.392 -1.857 -4.161 1.00 52.41 O ATOM 1664 CB HIS A 109 10.837 -1.992 -2.583 1.00 43.15 C ATOM 1665 CG HIS A 109 11.353 -0.589 -2.370 1.00 61.22 C ATOM 1666 ND1 HIS A 109 12.342 -0.296 -1.459 1.00 24.44 N ATOM 1667 CD2 HIS A 109 11.058 0.589 -2.975 1.00 55.34 C ATOM 1668 CE1 HIS A 109 12.632 0.979 -1.516 1.00 74.00 C ATOM 1669 NE2 HIS A 109 11.874 1.543 -2.423 1.00 73.43 N ATOM 0 H HIS A 109 9.747 -4.298 -2.475 1.00 74.11 H new ATOM 0 HA HIS A 109 9.335 -1.755 -1.047 1.00 52.31 H new ATOM 0 HB2 HIS A 109 11.540 -2.693 -2.133 1.00 43.15 H new ATOM 0 HB3 HIS A 109 10.822 -2.198 -3.653 1.00 43.15 H new ATOM 0 HD2 HIS A 109 10.319 0.746 -3.747 1.00 55.34 H new ATOM 0 HE1 HIS A 109 13.374 1.483 -0.914 1.00 74.00 H new ATOM 0 HE2 HIS A 109 11.888 2.531 -2.677 1.00 73.43 H new ATOM 1678 N ALA A 110 7.271 -1.117 -2.335 1.00 44.31 N ATOM 1679 CA ALA A 110 6.088 -0.603 -3.063 1.00 60.53 C ATOM 1680 C ALA A 110 6.251 0.896 -3.417 1.00 32.34 C ATOM 1681 O ALA A 110 6.542 1.720 -2.542 1.00 10.32 O ATOM 1682 CB ALA A 110 4.821 -0.836 -2.232 1.00 42.04 C ATOM 0 H ALA A 110 7.225 -0.966 -1.327 1.00 44.31 H new ATOM 0 HA ALA A 110 5.998 -1.150 -4.002 1.00 60.53 H new ATOM 0 HB1 ALA A 110 3.955 -0.455 -2.774 1.00 42.04 H new ATOM 0 HB2 ALA A 110 4.695 -1.904 -2.052 1.00 42.04 H new ATOM 0 HB3 ALA A 110 4.910 -0.315 -1.279 1.00 42.04 H new ATOM 1688 N THR A 111 6.034 1.244 -4.704 1.00 42.00 N ATOM 1689 CA THR A 111 6.221 2.626 -5.218 1.00 34.42 C ATOM 1690 C THR A 111 4.856 3.228 -5.618 1.00 64.54 C ATOM 1691 O THR A 111 4.304 2.861 -6.647 1.00 52.13 O ATOM 1692 CB THR A 111 7.183 2.657 -6.470 1.00 64.25 C ATOM 1693 OG1 THR A 111 8.386 1.909 -6.195 1.00 52.50 O ATOM 1694 CG2 THR A 111 7.567 4.095 -6.864 1.00 24.21 C ATOM 0 H THR A 111 5.726 0.581 -5.416 1.00 42.00 H new ATOM 0 HA THR A 111 6.674 3.214 -4.420 1.00 34.42 H new ATOM 0 HB THR A 111 6.642 2.205 -7.301 1.00 64.25 H new ATOM 0 HG1 THR A 111 8.973 1.934 -6.979 1.00 52.50 H new ATOM 0 HG21 THR A 111 8.229 4.071 -7.729 1.00 24.21 H new ATOM 0 HG22 THR A 111 6.667 4.657 -7.112 1.00 24.21 H new ATOM 0 HG23 THR A 111 8.077 4.577 -6.030 1.00 24.21 H new ATOM 1702 N VAL A 112 4.345 4.174 -4.816 1.00 62.03 N ATOM 1703 CA VAL A 112 3.043 4.843 -5.059 1.00 0.43 C ATOM 1704 C VAL A 112 3.256 6.131 -5.888 1.00 15.43 C ATOM 1705 O VAL A 112 3.814 7.108 -5.397 1.00 73.12 O ATOM 1706 CB VAL A 112 2.333 5.197 -3.702 1.00 31.24 C ATOM 1707 CG1 VAL A 112 0.975 5.907 -3.936 1.00 54.42 C ATOM 1708 CG2 VAL A 112 2.167 3.937 -2.820 1.00 11.42 C ATOM 0 H VAL A 112 4.820 4.503 -3.975 1.00 62.03 H new ATOM 0 HA VAL A 112 2.405 4.156 -5.615 1.00 0.43 H new ATOM 0 HB VAL A 112 2.974 5.898 -3.167 1.00 31.24 H new ATOM 0 HG11 VAL A 112 0.514 6.136 -2.975 1.00 54.42 H new ATOM 0 HG12 VAL A 112 1.138 6.832 -4.490 1.00 54.42 H new ATOM 0 HG13 VAL A 112 0.316 5.253 -4.508 1.00 54.42 H new ATOM 0 HG21 VAL A 112 1.673 4.208 -1.887 1.00 11.42 H new ATOM 0 HG22 VAL A 112 1.563 3.200 -3.349 1.00 11.42 H new ATOM 0 HG23 VAL A 112 3.148 3.514 -2.602 1.00 11.42 H new ATOM 1718 N LYS A 113 2.817 6.116 -7.154 1.00 72.52 N ATOM 1719 CA LYS A 113 3.044 7.230 -8.101 1.00 12.24 C ATOM 1720 C LYS A 113 1.707 7.847 -8.574 1.00 3.31 C ATOM 1721 O LYS A 113 0.944 7.216 -9.303 1.00 55.53 O ATOM 1722 CB LYS A 113 3.876 6.679 -9.289 1.00 52.12 C ATOM 1723 CG LYS A 113 5.274 6.158 -8.866 1.00 32.01 C ATOM 1724 CD LYS A 113 5.972 5.310 -9.947 1.00 41.50 C ATOM 1725 CE LYS A 113 6.195 6.067 -11.256 1.00 11.03 C ATOM 1726 NZ LYS A 113 6.911 5.243 -12.261 1.00 74.44 N ATOM 0 H LYS A 113 2.296 5.336 -7.555 1.00 72.52 H new ATOM 0 HA LYS A 113 3.591 8.035 -7.611 1.00 12.24 H new ATOM 0 HB2 LYS A 113 3.323 5.870 -9.767 1.00 52.12 H new ATOM 0 HB3 LYS A 113 3.998 7.465 -10.034 1.00 52.12 H new ATOM 0 HG2 LYS A 113 5.909 7.008 -8.618 1.00 32.01 H new ATOM 0 HG3 LYS A 113 5.171 5.562 -7.959 1.00 32.01 H new ATOM 0 HD2 LYS A 113 6.933 4.966 -9.565 1.00 41.50 H new ATOM 0 HD3 LYS A 113 5.372 4.422 -10.146 1.00 41.50 H new ATOM 0 HE2 LYS A 113 5.233 6.379 -11.662 1.00 11.03 H new ATOM 0 HE3 LYS A 113 6.766 6.974 -11.057 1.00 11.03 H new ATOM 0 HZ1 LYS A 113 7.041 5.795 -13.133 1.00 74.44 H new ATOM 0 HZ2 LYS A 113 7.840 4.966 -11.885 1.00 74.44 H new ATOM 0 HZ3 LYS A 113 6.354 4.390 -12.471 1.00 74.44 H new ATOM 1740 N LEU A 114 1.452 9.094 -8.151 1.00 11.00 N ATOM 1741 CA LEU A 114 0.235 9.853 -8.511 1.00 24.43 C ATOM 1742 C LEU A 114 0.450 10.666 -9.805 1.00 44.12 C ATOM 1743 O LEU A 114 1.453 11.367 -9.944 1.00 70.13 O ATOM 1744 CB LEU A 114 -0.148 10.800 -7.349 1.00 73.43 C ATOM 1745 CG LEU A 114 -0.508 10.108 -5.999 1.00 43.33 C ATOM 1746 CD1 LEU A 114 -0.717 11.148 -4.888 1.00 43.42 C ATOM 1747 CD2 LEU A 114 -1.755 9.218 -6.139 1.00 53.43 C ATOM 0 H LEU A 114 2.087 9.612 -7.544 1.00 11.00 H new ATOM 0 HA LEU A 114 -0.574 9.145 -8.688 1.00 24.43 H new ATOM 0 HB2 LEU A 114 0.682 11.484 -7.175 1.00 73.43 H new ATOM 0 HB3 LEU A 114 -0.999 11.405 -7.664 1.00 73.43 H new ATOM 0 HG LEU A 114 0.333 9.471 -5.725 1.00 43.33 H new ATOM 0 HD11 LEU A 114 -0.967 10.640 -3.957 1.00 43.42 H new ATOM 0 HD12 LEU A 114 0.198 11.725 -4.753 1.00 43.42 H new ATOM 0 HD13 LEU A 114 -1.531 11.818 -5.165 1.00 43.42 H new ATOM 0 HD21 LEU A 114 -1.978 8.751 -5.180 1.00 53.43 H new ATOM 0 HD22 LEU A 114 -2.603 9.827 -6.452 1.00 53.43 H new ATOM 0 HD23 LEU A 114 -1.568 8.445 -6.884 1.00 53.43 H new ATOM 1759 N GLU A 115 -0.510 10.582 -10.739 1.00 53.23 N ATOM 1760 CA GLU A 115 -0.438 11.284 -12.037 1.00 33.12 C ATOM 1761 C GLU A 115 -1.619 12.283 -12.184 1.00 34.11 C ATOM 1762 O GLU A 115 -2.779 11.872 -12.112 1.00 22.52 O ATOM 1763 CB GLU A 115 -0.441 10.253 -13.188 1.00 31.42 C ATOM 1764 CG GLU A 115 -0.319 10.860 -14.601 1.00 23.02 C ATOM 1765 CD GLU A 115 -0.123 9.790 -15.688 1.00 43.41 C ATOM 1766 OE1 GLU A 115 -1.077 9.043 -15.976 1.00 12.42 O ATOM 1767 OE2 GLU A 115 0.993 9.673 -16.236 1.00 15.32 O ATOM 0 H GLU A 115 -1.358 10.028 -10.619 1.00 53.23 H new ATOM 0 HA GLU A 115 0.489 11.855 -12.082 1.00 33.12 H new ATOM 0 HB2 GLU A 115 0.383 9.556 -13.035 1.00 31.42 H new ATOM 0 HB3 GLU A 115 -1.363 9.673 -13.135 1.00 31.42 H new ATOM 0 HG2 GLU A 115 -1.216 11.438 -14.823 1.00 23.02 H new ATOM 0 HG3 GLU A 115 0.521 11.554 -14.623 1.00 23.02 H new ATOM 1774 N PRO A 116 -1.335 13.614 -12.380 1.00 25.42 N ATOM 1775 CA PRO A 116 -2.394 14.658 -12.533 1.00 52.31 C ATOM 1776 C PRO A 116 -3.286 14.470 -13.799 1.00 65.04 C ATOM 1777 O PRO A 116 -2.849 14.719 -14.932 1.00 34.43 O ATOM 1778 CB PRO A 116 -1.570 15.980 -12.597 1.00 14.00 C ATOM 1779 CG PRO A 116 -0.214 15.559 -13.079 1.00 73.52 C ATOM 1780 CD PRO A 116 0.030 14.212 -12.446 1.00 51.11 C ATOM 0 HA PRO A 116 -3.117 14.626 -11.718 1.00 52.31 H new ATOM 0 HB2 PRO A 116 -2.027 16.699 -13.277 1.00 14.00 H new ATOM 0 HB3 PRO A 116 -1.512 16.458 -11.619 1.00 14.00 H new ATOM 0 HG2 PRO A 116 -0.185 15.494 -14.167 1.00 73.52 H new ATOM 0 HG3 PRO A 116 0.550 16.278 -12.782 1.00 73.52 H new ATOM 0 HD2 PRO A 116 0.708 13.603 -13.044 1.00 51.11 H new ATOM 0 HD3 PRO A 116 0.476 14.307 -11.456 1.00 51.11 H new ATOM 1788 N LEU A 117 -4.539 14.011 -13.586 1.00 40.42 N ATOM 1789 CA LEU A 117 -5.568 13.905 -14.662 1.00 60.00 C ATOM 1790 C LEU A 117 -6.573 15.088 -14.568 1.00 40.32 C ATOM 1791 O LEU A 117 -7.764 14.930 -14.883 1.00 53.11 O ATOM 1792 CB LEU A 117 -6.335 12.550 -14.555 1.00 60.40 C ATOM 1793 CG LEU A 117 -5.485 11.249 -14.444 1.00 41.13 C ATOM 1794 CD1 LEU A 117 -6.401 10.004 -14.361 1.00 74.22 C ATOM 1795 CD2 LEU A 117 -4.468 11.124 -15.599 1.00 35.52 C ATOM 0 H LEU A 117 -4.871 13.704 -12.672 1.00 40.42 H new ATOM 0 HA LEU A 117 -5.060 13.946 -15.625 1.00 60.00 H new ATOM 0 HB2 LEU A 117 -6.988 12.601 -13.683 1.00 60.40 H new ATOM 0 HB3 LEU A 117 -6.978 12.458 -15.430 1.00 60.40 H new ATOM 0 HG LEU A 117 -4.908 11.310 -13.521 1.00 41.13 H new ATOM 0 HD11 LEU A 117 -5.788 9.106 -14.284 1.00 74.22 H new ATOM 0 HD12 LEU A 117 -7.042 10.082 -13.483 1.00 74.22 H new ATOM 0 HD13 LEU A 117 -7.018 9.946 -15.257 1.00 74.22 H new ATOM 0 HD21 LEU A 117 -3.897 10.203 -15.483 1.00 35.52 H new ATOM 0 HD22 LEU A 117 -4.999 11.104 -16.551 1.00 35.52 H new ATOM 0 HD23 LEU A 117 -3.789 11.977 -15.580 1.00 35.52 H new ATOM 1807 N GLU A 118 -6.064 16.257 -14.127 1.00 43.30 N ATOM 1808 CA GLU A 118 -6.843 17.508 -13.958 1.00 73.42 C ATOM 1809 C GLU A 118 -7.910 17.386 -12.828 1.00 54.11 C ATOM 1810 O GLU A 118 -7.656 17.768 -11.679 1.00 53.41 O ATOM 1811 CB GLU A 118 -7.487 17.953 -15.306 1.00 22.45 C ATOM 1812 CG GLU A 118 -8.154 19.339 -15.274 1.00 45.52 C ATOM 1813 CD GLU A 118 -8.969 19.649 -16.543 1.00 23.54 C ATOM 1814 OE1 GLU A 118 -10.171 19.302 -16.589 1.00 2.32 O ATOM 1815 OE2 GLU A 118 -8.413 20.231 -17.500 1.00 62.25 O ATOM 0 H GLU A 118 -5.082 16.363 -13.873 1.00 43.30 H new ATOM 0 HA GLU A 118 -6.144 18.285 -13.648 1.00 73.42 H new ATOM 0 HB2 GLU A 118 -6.717 17.953 -16.078 1.00 22.45 H new ATOM 0 HB3 GLU A 118 -8.232 17.213 -15.599 1.00 22.45 H new ATOM 0 HG2 GLU A 118 -8.809 19.400 -14.405 1.00 45.52 H new ATOM 0 HG3 GLU A 118 -7.386 20.102 -15.148 1.00 45.52 H new ATOM 1822 N ASN A 119 -9.100 16.841 -13.164 1.00 2.25 N ATOM 1823 CA ASN A 119 -10.205 16.637 -12.195 1.00 22.41 C ATOM 1824 C ASN A 119 -10.037 15.306 -11.436 1.00 10.15 C ATOM 1825 O ASN A 119 -10.687 15.077 -10.409 1.00 24.13 O ATOM 1826 CB ASN A 119 -11.568 16.673 -12.939 1.00 32.44 C ATOM 1827 CG ASN A 119 -11.792 17.981 -13.705 1.00 72.05 C ATOM 1828 OD1 ASN A 119 -11.339 19.044 -13.298 1.00 54.53 O ATOM 1829 ND2 ASN A 119 -12.473 17.914 -14.829 1.00 4.11 N ATOM 0 H ASN A 119 -9.323 16.531 -14.110 1.00 2.25 H new ATOM 0 HA ASN A 119 -10.178 17.443 -11.462 1.00 22.41 H new ATOM 0 HB2 ASN A 119 -11.619 15.836 -13.636 1.00 32.44 H new ATOM 0 HB3 ASN A 119 -12.374 16.537 -12.218 1.00 32.44 H new ATOM 0 HD21 ASN A 119 -12.632 18.758 -15.380 1.00 4.11 H new ATOM 0 HD22 ASN A 119 -12.841 17.018 -15.150 1.00 4.11 H new ATOM 1836 N ARG A 120 -9.167 14.420 -11.964 1.00 40.24 N ATOM 1837 CA ARG A 120 -8.873 13.105 -11.343 1.00 64.24 C ATOM 1838 C ARG A 120 -7.357 12.937 -11.097 1.00 51.10 C ATOM 1839 O ARG A 120 -6.558 13.832 -11.396 1.00 21.52 O ATOM 1840 CB ARG A 120 -9.396 11.949 -12.238 1.00 63.35 C ATOM 1841 CG ARG A 120 -10.887 12.044 -12.623 1.00 64.12 C ATOM 1842 CD ARG A 120 -11.383 10.790 -13.362 1.00 45.43 C ATOM 1843 NE ARG A 120 -10.529 10.444 -14.517 1.00 63.21 N ATOM 1844 CZ ARG A 120 -10.239 9.225 -14.913 1.00 72.54 C ATOM 1845 NH1 ARG A 120 -10.737 8.183 -14.323 1.00 50.31 N ATOM 1846 NH2 ARG A 120 -9.434 9.061 -15.905 1.00 74.42 N ATOM 0 H ARG A 120 -8.650 14.591 -12.827 1.00 40.24 H new ATOM 0 HA ARG A 120 -9.386 13.067 -10.382 1.00 64.24 H new ATOM 0 HB2 ARG A 120 -8.802 11.920 -13.151 1.00 63.35 H new ATOM 0 HB3 ARG A 120 -9.230 11.005 -11.719 1.00 63.35 H new ATOM 0 HG2 ARG A 120 -11.483 12.191 -11.722 1.00 64.12 H new ATOM 0 HG3 ARG A 120 -11.041 12.919 -13.254 1.00 64.12 H new ATOM 0 HD2 ARG A 120 -11.410 9.949 -12.669 1.00 45.43 H new ATOM 0 HD3 ARG A 120 -12.405 10.954 -13.705 1.00 45.43 H new ATOM 0 HE ARG A 120 -10.131 11.216 -15.052 1.00 63.21 H new ATOM 0 HH11 ARG A 120 -11.370 8.299 -13.532 1.00 50.31 H new ATOM 0 HH12 ARG A 120 -10.496 7.248 -14.650 1.00 50.31 H new ATOM 0 HH21 ARG A 120 -9.030 9.872 -16.373 1.00 74.42 H new ATOM 0 HH22 ARG A 120 -9.201 8.120 -16.222 1.00 74.42 H new ATOM 1860 N THR A 121 -6.977 11.779 -10.532 1.00 50.22 N ATOM 1861 CA THR A 121 -5.561 11.387 -10.354 1.00 45.41 C ATOM 1862 C THR A 121 -5.404 9.862 -10.545 1.00 73.51 C ATOM 1863 O THR A 121 -6.238 9.081 -10.079 1.00 44.34 O ATOM 1864 CB THR A 121 -5.010 11.815 -8.948 1.00 23.34 C ATOM 1865 OG1 THR A 121 -5.137 13.236 -8.791 1.00 73.44 O ATOM 1866 CG2 THR A 121 -3.532 11.432 -8.749 1.00 63.24 C ATOM 0 H THR A 121 -7.639 11.086 -10.184 1.00 50.22 H new ATOM 0 HA THR A 121 -4.976 11.909 -11.111 1.00 45.41 H new ATOM 0 HB THR A 121 -5.601 11.283 -8.202 1.00 23.34 H new ATOM 0 HG1 THR A 121 -6.078 13.466 -8.641 1.00 73.44 H new ATOM 0 HG21 THR A 121 -3.203 11.752 -7.760 1.00 63.24 H new ATOM 0 HG22 THR A 121 -3.421 10.351 -8.836 1.00 63.24 H new ATOM 0 HG23 THR A 121 -2.924 11.922 -9.509 1.00 63.24 H new ATOM 1874 N ARG A 122 -4.325 9.456 -11.242 1.00 35.24 N ATOM 1875 CA ARG A 122 -4.022 8.047 -11.539 1.00 40.43 C ATOM 1876 C ARG A 122 -2.866 7.556 -10.638 1.00 34.00 C ATOM 1877 O ARG A 122 -1.729 7.998 -10.778 1.00 0.34 O ATOM 1878 CB ARG A 122 -3.651 7.918 -13.038 1.00 65.41 C ATOM 1879 CG ARG A 122 -3.429 6.479 -13.539 1.00 20.52 C ATOM 1880 CD ARG A 122 -3.203 6.423 -15.062 1.00 11.24 C ATOM 1881 NE ARG A 122 -4.374 6.922 -15.819 1.00 14.31 N ATOM 1882 CZ ARG A 122 -4.328 7.613 -16.942 1.00 52.02 C ATOM 1883 NH1 ARG A 122 -3.206 8.002 -17.458 1.00 70.21 N ATOM 1884 NH2 ARG A 122 -5.432 7.939 -17.525 1.00 63.30 N ATOM 0 H ARG A 122 -3.634 10.105 -11.617 1.00 35.24 H new ATOM 0 HA ARG A 122 -4.894 7.426 -11.335 1.00 40.43 H new ATOM 0 HB2 ARG A 122 -4.443 8.374 -13.632 1.00 65.41 H new ATOM 0 HB3 ARG A 122 -2.744 8.493 -13.222 1.00 65.41 H new ATOM 0 HG2 ARG A 122 -2.568 6.047 -13.029 1.00 20.52 H new ATOM 0 HG3 ARG A 122 -4.293 5.868 -13.279 1.00 20.52 H new ATOM 0 HD2 ARG A 122 -2.326 7.017 -15.320 1.00 11.24 H new ATOM 0 HD3 ARG A 122 -2.991 5.396 -15.359 1.00 11.24 H new ATOM 0 HE ARG A 122 -5.297 6.713 -15.439 1.00 14.31 H new ATOM 0 HH11 ARG A 122 -2.326 7.775 -16.995 1.00 70.21 H new ATOM 0 HH12 ARG A 122 -3.202 8.535 -18.328 1.00 70.21 H new ATOM 0 HH21 ARG A 122 -6.325 7.663 -17.117 1.00 63.30 H new ATOM 0 HH22 ARG A 122 -5.412 8.473 -18.394 1.00 63.30 H new ATOM 1898 N MET A 123 -3.182 6.653 -9.707 1.00 43.35 N ATOM 1899 CA MET A 123 -2.227 6.108 -8.729 1.00 21.40 C ATOM 1900 C MET A 123 -1.717 4.728 -9.185 1.00 72.24 C ATOM 1901 O MET A 123 -2.504 3.788 -9.313 1.00 11.11 O ATOM 1902 CB MET A 123 -2.900 5.978 -7.343 1.00 35.25 C ATOM 1903 CG MET A 123 -1.955 5.498 -6.227 1.00 53.34 C ATOM 1904 SD MET A 123 -2.795 5.275 -4.647 1.00 61.03 S ATOM 1905 CE MET A 123 -3.954 3.977 -5.071 1.00 4.54 C ATOM 0 H MET A 123 -4.123 6.271 -9.607 1.00 43.35 H new ATOM 0 HA MET A 123 -1.382 6.792 -8.657 1.00 21.40 H new ATOM 0 HB2 MET A 123 -3.316 6.945 -7.061 1.00 35.25 H new ATOM 0 HB3 MET A 123 -3.736 5.282 -7.421 1.00 35.25 H new ATOM 0 HG2 MET A 123 -1.497 4.555 -6.526 1.00 53.34 H new ATOM 0 HG3 MET A 123 -1.148 6.220 -6.105 1.00 53.34 H new ATOM 0 HE1 MET A 123 -4.969 4.373 -5.047 1.00 4.54 H new ATOM 0 HE2 MET A 123 -3.734 3.605 -6.072 1.00 4.54 H new ATOM 0 HE3 MET A 123 -3.866 3.162 -4.353 1.00 4.54 H new ATOM 1915 N THR A 124 -0.405 4.606 -9.401 1.00 51.12 N ATOM 1916 CA THR A 124 0.227 3.329 -9.792 1.00 50.41 C ATOM 1917 C THR A 124 1.197 2.861 -8.685 1.00 25.54 C ATOM 1918 O THR A 124 2.218 3.505 -8.446 1.00 62.42 O ATOM 1919 CB THR A 124 0.981 3.457 -11.163 1.00 42.21 C ATOM 1920 OG1 THR A 124 0.095 4.005 -12.158 1.00 73.43 O ATOM 1921 CG2 THR A 124 1.504 2.095 -11.662 1.00 13.51 C ATOM 0 H THR A 124 0.252 5.381 -9.312 1.00 51.12 H new ATOM 0 HA THR A 124 -0.560 2.586 -9.917 1.00 50.41 H new ATOM 0 HB THR A 124 1.834 4.116 -11.004 1.00 42.21 H new ATOM 0 HG1 THR A 124 0.570 4.085 -13.011 1.00 73.43 H new ATOM 0 HG21 THR A 124 2.019 2.229 -12.613 1.00 13.51 H new ATOM 0 HG22 THR A 124 2.197 1.681 -10.930 1.00 13.51 H new ATOM 0 HG23 THR A 124 0.666 1.411 -11.797 1.00 13.51 H new ATOM 1929 N ILE A 125 0.863 1.743 -8.000 1.00 24.23 N ATOM 1930 CA ILE A 125 1.676 1.199 -6.879 1.00 12.03 C ATOM 1931 C ILE A 125 2.430 -0.077 -7.322 1.00 32.00 C ATOM 1932 O ILE A 125 1.807 -1.116 -7.539 1.00 2.42 O ATOM 1933 CB ILE A 125 0.777 0.873 -5.625 1.00 51.12 C ATOM 1934 CG1 ILE A 125 -0.091 2.117 -5.236 1.00 12.22 C ATOM 1935 CG2 ILE A 125 1.642 0.389 -4.426 1.00 61.23 C ATOM 1936 CD1 ILE A 125 -0.985 1.924 -4.021 1.00 13.33 C ATOM 0 H ILE A 125 0.029 1.193 -8.204 1.00 24.23 H new ATOM 0 HA ILE A 125 2.399 1.965 -6.598 1.00 12.03 H new ATOM 0 HB ILE A 125 0.102 0.059 -5.889 1.00 51.12 H new ATOM 0 HG12 ILE A 125 0.574 2.960 -5.049 1.00 12.22 H new ATOM 0 HG13 ILE A 125 -0.715 2.386 -6.088 1.00 12.22 H new ATOM 0 HG21 ILE A 125 0.996 0.172 -3.576 1.00 61.23 H new ATOM 0 HG22 ILE A 125 2.185 -0.513 -4.709 1.00 61.23 H new ATOM 0 HG23 ILE A 125 2.353 1.169 -4.152 1.00 61.23 H new ATOM 0 HD11 ILE A 125 -1.545 2.840 -3.832 1.00 13.33 H new ATOM 0 HD12 ILE A 125 -1.680 1.105 -4.207 1.00 13.33 H new ATOM 0 HD13 ILE A 125 -0.371 1.688 -3.151 1.00 13.33 H new ATOM 1948 N ILE A 126 3.776 0.004 -7.430 1.00 44.01 N ATOM 1949 CA ILE A 126 4.620 -1.110 -7.931 1.00 43.31 C ATOM 1950 C ILE A 126 5.406 -1.771 -6.763 1.00 25.51 C ATOM 1951 O ILE A 126 6.369 -1.193 -6.257 1.00 41.02 O ATOM 1952 CB ILE A 126 5.657 -0.653 -9.049 1.00 13.11 C ATOM 1953 CG1 ILE A 126 4.995 0.233 -10.170 1.00 11.11 C ATOM 1954 CG2 ILE A 126 6.349 -1.892 -9.678 1.00 24.32 C ATOM 1955 CD1 ILE A 126 4.780 1.694 -9.809 1.00 23.10 C ATOM 0 H ILE A 126 4.307 0.837 -7.175 1.00 44.01 H new ATOM 0 HA ILE A 126 3.933 -1.826 -8.382 1.00 43.31 H new ATOM 0 HB ILE A 126 6.403 -0.030 -8.555 1.00 13.11 H new ATOM 0 HG12 ILE A 126 5.620 0.186 -11.062 1.00 11.11 H new ATOM 0 HG13 ILE A 126 4.031 -0.204 -10.432 1.00 11.11 H new ATOM 0 HG21 ILE A 126 7.056 -1.566 -10.441 1.00 24.32 H new ATOM 0 HG22 ILE A 126 6.881 -2.444 -8.903 1.00 24.32 H new ATOM 0 HG23 ILE A 126 5.597 -2.537 -10.132 1.00 24.32 H new ATOM 0 HD11 ILE A 126 4.319 2.213 -10.650 1.00 23.10 H new ATOM 0 HD12 ILE A 126 4.127 1.762 -8.939 1.00 23.10 H new ATOM 0 HD13 ILE A 126 5.740 2.157 -9.579 1.00 23.10 H new ATOM 1967 N SER A 127 4.988 -2.978 -6.361 1.00 41.44 N ATOM 1968 CA SER A 127 5.599 -3.749 -5.258 1.00 43.40 C ATOM 1969 C SER A 127 6.610 -4.770 -5.823 1.00 43.15 C ATOM 1970 O SER A 127 6.220 -5.736 -6.485 1.00 44.04 O ATOM 1971 CB SER A 127 4.492 -4.481 -4.448 1.00 62.20 C ATOM 1972 OG SER A 127 3.536 -3.566 -3.933 1.00 25.55 O ATOM 0 H SER A 127 4.202 -3.459 -6.798 1.00 41.44 H new ATOM 0 HA SER A 127 6.127 -3.064 -4.595 1.00 43.40 H new ATOM 0 HB2 SER A 127 3.993 -5.210 -5.087 1.00 62.20 H new ATOM 0 HB3 SER A 127 4.946 -5.035 -3.627 1.00 62.20 H new ATOM 0 HG SER A 127 2.852 -4.056 -3.430 1.00 25.55 H new ATOM 1978 N THR A 128 7.912 -4.516 -5.608 1.00 14.22 N ATOM 1979 CA THR A 128 9.004 -5.413 -6.058 1.00 43.34 C ATOM 1980 C THR A 128 9.373 -6.434 -4.952 1.00 35.50 C ATOM 1981 O THR A 128 9.459 -6.078 -3.776 1.00 33.34 O ATOM 1982 CB THR A 128 10.271 -4.584 -6.465 1.00 15.33 C ATOM 1983 OG1 THR A 128 10.758 -3.838 -5.338 1.00 11.23 O ATOM 1984 CG2 THR A 128 9.971 -3.607 -7.625 1.00 54.03 C ATOM 0 H THR A 128 8.243 -3.685 -5.118 1.00 14.22 H new ATOM 0 HA THR A 128 8.647 -5.960 -6.931 1.00 43.34 H new ATOM 0 HB THR A 128 11.027 -5.294 -6.800 1.00 15.33 H new ATOM 0 HG1 THR A 128 11.550 -3.325 -5.603 1.00 11.23 H new ATOM 0 HG21 THR A 128 10.875 -3.052 -7.876 1.00 54.03 H new ATOM 0 HG22 THR A 128 9.636 -4.169 -8.497 1.00 54.03 H new ATOM 0 HG23 THR A 128 9.190 -2.910 -7.321 1.00 54.03 H new ATOM 1992 N PHE A 129 9.584 -7.710 -5.340 1.00 3.42 N ATOM 1993 CA PHE A 129 9.872 -8.825 -4.392 1.00 31.34 C ATOM 1994 C PHE A 129 11.320 -9.347 -4.576 1.00 21.04 C ATOM 1995 O PHE A 129 11.909 -9.199 -5.653 1.00 41.02 O ATOM 1996 CB PHE A 129 8.846 -9.977 -4.607 1.00 62.34 C ATOM 1997 CG PHE A 129 7.382 -9.517 -4.538 1.00 70.00 C ATOM 1998 CD1 PHE A 129 6.719 -9.386 -3.318 1.00 74.01 C ATOM 1999 CD2 PHE A 129 6.678 -9.189 -5.697 1.00 53.22 C ATOM 2000 CE1 PHE A 129 5.407 -8.938 -3.265 1.00 50.52 C ATOM 2001 CE2 PHE A 129 5.369 -8.750 -5.642 1.00 74.42 C ATOM 2002 CZ PHE A 129 4.735 -8.622 -4.426 1.00 71.22 C ATOM 0 H PHE A 129 9.561 -8.003 -6.317 1.00 3.42 H new ATOM 0 HA PHE A 129 9.778 -8.449 -3.373 1.00 31.34 H new ATOM 0 HB2 PHE A 129 9.028 -10.438 -5.578 1.00 62.34 H new ATOM 0 HB3 PHE A 129 9.012 -10.746 -3.853 1.00 62.34 H new ATOM 0 HD1 PHE A 129 7.234 -9.637 -2.402 1.00 74.01 H new ATOM 0 HD2 PHE A 129 7.166 -9.280 -6.656 1.00 53.22 H new ATOM 0 HE1 PHE A 129 4.911 -8.837 -2.311 1.00 50.52 H new ATOM 0 HE2 PHE A 129 4.843 -8.507 -6.553 1.00 74.42 H new ATOM 0 HZ PHE A 129 3.713 -8.275 -4.382 1.00 71.22 H new ATOM 2012 N GLU A 130 11.879 -9.973 -3.520 1.00 20.34 N ATOM 2013 CA GLU A 130 13.276 -10.484 -3.520 1.00 31.24 C ATOM 2014 C GLU A 130 13.453 -11.708 -4.452 1.00 34.41 C ATOM 2015 O GLU A 130 14.336 -11.722 -5.316 1.00 30.55 O ATOM 2016 CB GLU A 130 13.709 -10.844 -2.068 1.00 42.23 C ATOM 2017 CG GLU A 130 13.696 -9.656 -1.075 1.00 11.45 C ATOM 2018 CD GLU A 130 14.670 -8.532 -1.464 1.00 62.53 C ATOM 2019 OE1 GLU A 130 15.870 -8.625 -1.124 1.00 41.33 O ATOM 2020 OE2 GLU A 130 14.252 -7.562 -2.132 1.00 21.55 O ATOM 0 H GLU A 130 11.382 -10.141 -2.645 1.00 20.34 H new ATOM 0 HA GLU A 130 13.916 -9.691 -3.907 1.00 31.24 H new ATOM 0 HB2 GLU A 130 13.048 -11.624 -1.689 1.00 42.23 H new ATOM 0 HB3 GLU A 130 14.714 -11.265 -2.097 1.00 42.23 H new ATOM 0 HG2 GLU A 130 12.686 -9.250 -1.018 1.00 11.45 H new ATOM 0 HG3 GLU A 130 13.950 -10.020 -0.079 1.00 11.45 H new ATOM 2027 N SER A 131 12.576 -12.712 -4.281 1.00 30.21 N ATOM 2028 CA SER A 131 12.677 -14.022 -4.979 1.00 71.34 C ATOM 2029 C SER A 131 11.281 -14.581 -5.294 1.00 12.42 C ATOM 2030 O SER A 131 10.269 -14.053 -4.813 1.00 74.13 O ATOM 2031 CB SER A 131 13.459 -15.040 -4.106 1.00 63.23 C ATOM 2032 OG SER A 131 14.768 -14.586 -3.809 1.00 41.21 O ATOM 0 H SER A 131 11.773 -12.646 -3.656 1.00 30.21 H new ATOM 0 HA SER A 131 13.213 -13.864 -5.915 1.00 71.34 H new ATOM 0 HB2 SER A 131 12.916 -15.214 -3.177 1.00 63.23 H new ATOM 0 HB3 SER A 131 13.516 -15.996 -4.626 1.00 63.23 H new ATOM 0 HG SER A 131 15.228 -15.252 -3.257 1.00 41.21 H new ATOM 2038 N GLU A 132 11.245 -15.659 -6.102 1.00 50.11 N ATOM 2039 CA GLU A 132 10.002 -16.398 -6.439 1.00 13.13 C ATOM 2040 C GLU A 132 9.383 -17.036 -5.179 1.00 44.54 C ATOM 2041 O GLU A 132 8.174 -17.056 -5.031 1.00 30.24 O ATOM 2042 CB GLU A 132 10.246 -17.501 -7.519 1.00 4.41 C ATOM 2043 CG GLU A 132 10.764 -17.007 -8.892 1.00 51.23 C ATOM 2044 CD GLU A 132 12.252 -16.579 -8.892 1.00 13.44 C ATOM 2045 OE1 GLU A 132 13.131 -17.456 -9.008 1.00 71.10 O ATOM 2046 OE2 GLU A 132 12.540 -15.374 -8.738 1.00 60.14 O ATOM 0 H GLU A 132 12.079 -16.047 -6.544 1.00 50.11 H new ATOM 0 HA GLU A 132 9.307 -15.668 -6.854 1.00 13.13 H new ATOM 0 HB2 GLU A 132 10.962 -18.219 -7.120 1.00 4.41 H new ATOM 0 HB3 GLU A 132 9.311 -18.038 -7.678 1.00 4.41 H new ATOM 0 HG2 GLU A 132 10.626 -17.800 -9.627 1.00 51.23 H new ATOM 0 HG3 GLU A 132 10.155 -16.163 -9.215 1.00 51.23 H new ATOM 2053 N GLU A 133 10.232 -17.543 -4.266 1.00 73.20 N ATOM 2054 CA GLU A 133 9.766 -18.120 -2.979 1.00 1.53 C ATOM 2055 C GLU A 133 8.975 -17.087 -2.124 1.00 51.31 C ATOM 2056 O GLU A 133 8.096 -17.469 -1.353 1.00 0.23 O ATOM 2057 CB GLU A 133 10.957 -18.712 -2.179 1.00 0.30 C ATOM 2058 CG GLU A 133 12.008 -17.684 -1.699 1.00 22.34 C ATOM 2059 CD GLU A 133 13.186 -18.337 -0.954 1.00 4.34 C ATOM 2060 OE1 GLU A 133 13.002 -18.758 0.206 1.00 61.33 O ATOM 2061 OE2 GLU A 133 14.288 -18.451 -1.531 1.00 65.34 O ATOM 0 H GLU A 133 11.244 -17.568 -4.390 1.00 73.20 H new ATOM 0 HA GLU A 133 9.075 -18.928 -3.218 1.00 1.53 H new ATOM 0 HB2 GLU A 133 10.563 -19.237 -1.309 1.00 0.30 H new ATOM 0 HB3 GLU A 133 11.457 -19.455 -2.800 1.00 0.30 H new ATOM 0 HG2 GLU A 133 12.389 -17.133 -2.559 1.00 22.34 H new ATOM 0 HG3 GLU A 133 11.527 -16.959 -1.043 1.00 22.34 H new ATOM 2068 N GLN A 134 9.304 -15.779 -2.270 1.00 40.13 N ATOM 2069 CA GLN A 134 8.541 -14.683 -1.626 1.00 14.23 C ATOM 2070 C GLN A 134 7.260 -14.367 -2.436 1.00 61.54 C ATOM 2071 O GLN A 134 6.166 -14.329 -1.890 1.00 72.31 O ATOM 2072 CB GLN A 134 9.398 -13.393 -1.492 1.00 45.42 C ATOM 2073 CG GLN A 134 8.684 -12.247 -0.726 1.00 4.11 C ATOM 2074 CD GLN A 134 9.438 -10.918 -0.724 1.00 10.20 C ATOM 2075 OE1 GLN A 134 10.655 -10.878 -0.799 1.00 30.51 O ATOM 2076 NE2 GLN A 134 8.713 -9.820 -0.613 1.00 2.12 N ATOM 0 H GLN A 134 10.094 -15.458 -2.829 1.00 40.13 H new ATOM 0 HA GLN A 134 8.267 -15.021 -0.627 1.00 14.23 H new ATOM 0 HB2 GLN A 134 10.328 -13.637 -0.979 1.00 45.42 H new ATOM 0 HB3 GLN A 134 9.666 -13.041 -2.488 1.00 45.42 H new ATOM 0 HG2 GLN A 134 7.700 -12.091 -1.167 1.00 4.11 H new ATOM 0 HG3 GLN A 134 8.525 -12.561 0.306 1.00 4.11 H new ATOM 0 HE21 GLN A 134 7.697 -9.884 -0.552 1.00 2.12 H new ATOM 0 HE22 GLN A 134 9.169 -8.908 -0.588 1.00 2.12 H new ATOM 2085 N MET A 135 7.447 -14.138 -3.751 1.00 0.31 N ATOM 2086 CA MET A 135 6.388 -13.711 -4.708 1.00 31.42 C ATOM 2087 C MET A 135 5.167 -14.677 -4.721 1.00 13.12 C ATOM 2088 O MET A 135 4.008 -14.245 -4.618 1.00 51.13 O ATOM 2089 CB MET A 135 7.037 -13.595 -6.113 1.00 30.13 C ATOM 2090 CG MET A 135 6.082 -13.271 -7.265 1.00 22.14 C ATOM 2091 SD MET A 135 5.125 -11.764 -6.975 1.00 23.41 S ATOM 2092 CE MET A 135 4.402 -11.425 -8.580 1.00 44.01 C ATOM 0 H MET A 135 8.359 -14.245 -4.195 1.00 0.31 H new ATOM 0 HA MET A 135 5.989 -12.747 -4.394 1.00 31.42 H new ATOM 0 HB2 MET A 135 7.805 -12.822 -6.075 1.00 30.13 H new ATOM 0 HB3 MET A 135 7.541 -14.535 -6.338 1.00 30.13 H new ATOM 0 HG2 MET A 135 6.654 -13.161 -8.186 1.00 22.14 H new ATOM 0 HG3 MET A 135 5.399 -14.108 -7.412 1.00 22.14 H new ATOM 0 HE1 MET A 135 3.646 -10.646 -8.481 1.00 44.01 H new ATOM 0 HE2 MET A 135 5.180 -11.091 -9.266 1.00 44.01 H new ATOM 0 HE3 MET A 135 3.940 -12.332 -8.970 1.00 44.01 H new ATOM 2102 N GLN A 136 5.463 -15.976 -4.872 1.00 30.44 N ATOM 2103 CA GLN A 136 4.482 -17.075 -4.717 1.00 50.41 C ATOM 2104 C GLN A 136 3.773 -17.013 -3.338 1.00 15.04 C ATOM 2105 O GLN A 136 2.546 -17.030 -3.272 1.00 52.43 O ATOM 2106 CB GLN A 136 5.200 -18.453 -4.904 1.00 55.41 C ATOM 2107 CG GLN A 136 5.254 -19.009 -6.355 1.00 31.23 C ATOM 2108 CD GLN A 136 5.792 -18.056 -7.441 1.00 34.02 C ATOM 2109 OE1 GLN A 136 6.584 -17.154 -7.205 1.00 34.44 O ATOM 2110 NE2 GLN A 136 5.391 -18.293 -8.671 1.00 5.12 N ATOM 0 H GLN A 136 6.400 -16.303 -5.108 1.00 30.44 H new ATOM 0 HA GLN A 136 3.716 -16.961 -5.484 1.00 50.41 H new ATOM 0 HB2 GLN A 136 6.221 -18.360 -4.535 1.00 55.41 H new ATOM 0 HB3 GLN A 136 4.699 -19.188 -4.274 1.00 55.41 H new ATOM 0 HG2 GLN A 136 5.872 -19.907 -6.353 1.00 31.23 H new ATOM 0 HG3 GLN A 136 4.248 -19.316 -6.640 1.00 31.23 H new ATOM 0 HE21 GLN A 136 4.730 -19.048 -8.855 1.00 5.12 H new ATOM 0 HE22 GLN A 136 5.741 -17.722 -9.440 1.00 5.12 H new ATOM 2119 N LYS A 137 4.573 -16.910 -2.252 1.00 65.12 N ATOM 2120 CA LYS A 137 4.074 -16.923 -0.851 1.00 55.11 C ATOM 2121 C LYS A 137 3.102 -15.745 -0.555 1.00 14.20 C ATOM 2122 O LYS A 137 2.121 -15.908 0.180 1.00 62.43 O ATOM 2123 CB LYS A 137 5.282 -16.915 0.134 1.00 15.21 C ATOM 2124 CG LYS A 137 4.913 -16.998 1.632 1.00 1.30 C ATOM 2125 CD LYS A 137 4.096 -18.266 1.982 1.00 74.13 C ATOM 2126 CE LYS A 137 3.605 -18.269 3.436 1.00 11.32 C ATOM 2127 NZ LYS A 137 2.808 -19.477 3.746 1.00 73.33 N ATOM 0 H LYS A 137 5.586 -16.815 -2.319 1.00 65.12 H new ATOM 0 HA LYS A 137 3.498 -17.837 -0.709 1.00 55.11 H new ATOM 0 HB2 LYS A 137 5.934 -17.754 -0.110 1.00 15.21 H new ATOM 0 HB3 LYS A 137 5.858 -16.005 -0.031 1.00 15.21 H new ATOM 0 HG2 LYS A 137 5.826 -16.984 2.227 1.00 1.30 H new ATOM 0 HG3 LYS A 137 4.339 -16.114 1.909 1.00 1.30 H new ATOM 0 HD2 LYS A 137 3.239 -18.337 1.313 1.00 74.13 H new ATOM 0 HD3 LYS A 137 4.711 -19.149 1.808 1.00 74.13 H new ATOM 0 HE2 LYS A 137 4.461 -18.216 4.109 1.00 11.32 H new ATOM 0 HE3 LYS A 137 3.002 -17.379 3.618 1.00 11.32 H new ATOM 0 HZ1 LYS A 137 2.495 -19.441 4.737 1.00 73.33 H new ATOM 0 HZ2 LYS A 137 1.977 -19.514 3.122 1.00 73.33 H new ATOM 0 HZ3 LYS A 137 3.391 -20.325 3.597 1.00 73.33 H new ATOM 2141 N MET A 138 3.376 -14.575 -1.153 1.00 71.24 N ATOM 2142 CA MET A 138 2.499 -13.386 -1.051 1.00 61.22 C ATOM 2143 C MET A 138 1.107 -13.691 -1.657 1.00 11.33 C ATOM 2144 O MET A 138 0.069 -13.398 -1.059 1.00 43.53 O ATOM 2145 CB MET A 138 3.150 -12.181 -1.785 1.00 2.42 C ATOM 2146 CG MET A 138 4.529 -11.716 -1.247 1.00 55.25 C ATOM 2147 SD MET A 138 4.440 -10.395 -0.007 1.00 4.45 S ATOM 2148 CE MET A 138 3.839 -11.239 1.455 1.00 72.54 C ATOM 0 H MET A 138 4.209 -14.421 -1.721 1.00 71.24 H new ATOM 0 HA MET A 138 2.372 -13.133 0.002 1.00 61.22 H new ATOM 0 HB2 MET A 138 3.263 -12.441 -2.838 1.00 2.42 H new ATOM 0 HB3 MET A 138 2.461 -11.338 -1.737 1.00 2.42 H new ATOM 0 HG2 MET A 138 5.044 -12.573 -0.812 1.00 55.25 H new ATOM 0 HG3 MET A 138 5.135 -11.372 -2.085 1.00 55.25 H new ATOM 0 HE1 MET A 138 4.107 -10.666 2.342 1.00 72.54 H new ATOM 0 HE2 MET A 138 2.755 -11.336 1.399 1.00 72.54 H new ATOM 0 HE3 MET A 138 4.289 -12.230 1.514 1.00 72.54 H new ATOM 2158 N ALA A 139 1.123 -14.314 -2.842 1.00 2.04 N ATOM 2159 CA ALA A 139 -0.095 -14.737 -3.560 1.00 41.32 C ATOM 2160 C ALA A 139 -0.869 -15.842 -2.794 1.00 4.15 C ATOM 2161 O ALA A 139 -2.101 -15.875 -2.824 1.00 11.22 O ATOM 2162 CB ALA A 139 0.283 -15.196 -4.971 1.00 72.14 C ATOM 0 H ALA A 139 1.985 -14.542 -3.336 1.00 2.04 H new ATOM 0 HA ALA A 139 -0.769 -13.884 -3.629 1.00 41.32 H new ATOM 0 HB1 ALA A 139 -0.614 -15.509 -5.504 1.00 72.14 H new ATOM 0 HB2 ALA A 139 0.755 -14.373 -5.507 1.00 72.14 H new ATOM 0 HB3 ALA A 139 0.978 -16.033 -4.907 1.00 72.14 H new ATOM 2168 N GLU A 140 -0.130 -16.722 -2.082 1.00 33.20 N ATOM 2169 CA GLU A 140 -0.728 -17.794 -1.245 1.00 42.12 C ATOM 2170 C GLU A 140 -1.458 -17.222 -0.003 1.00 33.51 C ATOM 2171 O GLU A 140 -2.324 -17.888 0.573 1.00 43.25 O ATOM 2172 CB GLU A 140 0.356 -18.813 -0.792 1.00 21.21 C ATOM 2173 CG GLU A 140 1.107 -19.535 -1.932 1.00 54.50 C ATOM 2174 CD GLU A 140 0.180 -20.201 -2.964 1.00 71.12 C ATOM 2175 OE1 GLU A 140 -0.476 -21.208 -2.628 1.00 70.00 O ATOM 2176 OE2 GLU A 140 0.106 -19.728 -4.119 1.00 64.24 O ATOM 0 H GLU A 140 0.890 -16.712 -2.069 1.00 33.20 H new ATOM 0 HA GLU A 140 -1.465 -18.304 -1.865 1.00 42.12 H new ATOM 0 HB2 GLU A 140 1.086 -18.290 -0.174 1.00 21.21 H new ATOM 0 HB3 GLU A 140 -0.118 -19.564 -0.160 1.00 21.21 H new ATOM 0 HG2 GLU A 140 1.748 -18.817 -2.444 1.00 54.50 H new ATOM 0 HG3 GLU A 140 1.759 -20.294 -1.501 1.00 54.50 H new ATOM 2183 N MET A 141 -1.087 -15.998 0.409 1.00 21.40 N ATOM 2184 CA MET A 141 -1.761 -15.274 1.516 1.00 42.24 C ATOM 2185 C MET A 141 -2.963 -14.433 1.014 1.00 32.33 C ATOM 2186 O MET A 141 -3.792 -13.989 1.822 1.00 10.53 O ATOM 2187 CB MET A 141 -0.736 -14.358 2.235 1.00 31.14 C ATOM 2188 CG MET A 141 0.409 -15.120 2.919 1.00 22.20 C ATOM 2189 SD MET A 141 -0.145 -16.172 4.284 1.00 11.33 S ATOM 2190 CE MET A 141 -0.739 -14.962 5.475 1.00 62.03 C ATOM 0 H MET A 141 -0.315 -15.479 -0.010 1.00 21.40 H new ATOM 0 HA MET A 141 -2.151 -16.016 2.213 1.00 42.24 H new ATOM 0 HB2 MET A 141 -0.314 -13.663 1.510 1.00 31.14 H new ATOM 0 HB3 MET A 141 -1.259 -13.761 2.982 1.00 31.14 H new ATOM 0 HG2 MET A 141 0.919 -15.736 2.179 1.00 22.20 H new ATOM 0 HG3 MET A 141 1.139 -14.403 3.295 1.00 22.20 H new ATOM 0 HE1 MET A 141 -0.874 -15.442 6.444 1.00 62.03 H new ATOM 0 HE2 MET A 141 -0.012 -14.155 5.567 1.00 62.03 H new ATOM 0 HE3 MET A 141 -1.692 -14.555 5.136 1.00 62.03 H new ATOM 2200 N GLY A 142 -3.053 -14.221 -0.315 1.00 13.34 N ATOM 2201 CA GLY A 142 -4.043 -13.298 -0.891 1.00 65.44 C ATOM 2202 C GLY A 142 -3.664 -11.832 -0.651 1.00 30.13 C ATOM 2203 O GLY A 142 -4.534 -10.976 -0.458 1.00 33.03 O ATOM 0 H GLY A 142 -2.454 -14.676 -1.004 1.00 13.34 H new ATOM 0 HA2 GLY A 142 -4.129 -13.480 -1.962 1.00 65.44 H new ATOM 0 HA3 GLY A 142 -5.022 -13.496 -0.454 1.00 65.44 H new ATOM 2207 N MET A 143 -2.340 -11.563 -0.659 1.00 21.14 N ATOM 2208 CA MET A 143 -1.763 -10.224 -0.389 1.00 53.13 C ATOM 2209 C MET A 143 -2.046 -9.254 -1.555 1.00 4.31 C ATOM 2210 O MET A 143 -2.415 -8.094 -1.327 1.00 63.54 O ATOM 2211 CB MET A 143 -0.231 -10.362 -0.117 1.00 4.14 C ATOM 2212 CG MET A 143 0.505 -9.078 0.318 1.00 34.44 C ATOM 2213 SD MET A 143 0.748 -7.897 -1.031 1.00 1.31 S ATOM 2214 CE MET A 143 1.666 -6.591 -0.211 1.00 33.22 C ATOM 0 H MET A 143 -1.635 -12.273 -0.854 1.00 21.14 H new ATOM 0 HA MET A 143 -2.237 -9.803 0.498 1.00 53.13 H new ATOM 0 HB2 MET A 143 -0.088 -11.117 0.656 1.00 4.14 H new ATOM 0 HB3 MET A 143 0.245 -10.739 -1.023 1.00 4.14 H new ATOM 0 HG2 MET A 143 -0.061 -8.596 1.115 1.00 34.44 H new ATOM 0 HG3 MET A 143 1.476 -9.348 0.734 1.00 34.44 H new ATOM 0 HE1 MET A 143 1.884 -5.796 -0.924 1.00 33.22 H new ATOM 0 HE2 MET A 143 1.072 -6.189 0.610 1.00 33.22 H new ATOM 0 HE3 MET A 143 2.600 -6.994 0.180 1.00 33.22 H new ATOM 2224 N GLU A 144 -1.916 -9.754 -2.805 1.00 4.24 N ATOM 2225 CA GLU A 144 -2.105 -8.927 -4.016 1.00 13.23 C ATOM 2226 C GLU A 144 -3.566 -8.401 -4.102 1.00 30.33 C ATOM 2227 O GLU A 144 -3.816 -7.254 -4.491 1.00 0.20 O ATOM 2228 CB GLU A 144 -1.708 -9.705 -5.321 1.00 73.13 C ATOM 2229 CG GLU A 144 -2.722 -10.754 -5.858 1.00 12.52 C ATOM 2230 CD GLU A 144 -2.709 -12.095 -5.111 1.00 11.20 C ATOM 2231 OE1 GLU A 144 -3.213 -12.166 -3.972 1.00 20.24 O ATOM 2232 OE2 GLU A 144 -2.210 -13.087 -5.673 1.00 50.33 O ATOM 0 H GLU A 144 -1.681 -10.727 -3.000 1.00 4.24 H new ATOM 0 HA GLU A 144 -1.437 -8.070 -3.935 1.00 13.23 H new ATOM 0 HB2 GLU A 144 -1.529 -8.974 -6.109 1.00 73.13 H new ATOM 0 HB3 GLU A 144 -0.762 -10.213 -5.137 1.00 73.13 H new ATOM 0 HG2 GLU A 144 -3.725 -10.332 -5.803 1.00 12.52 H new ATOM 0 HG3 GLU A 144 -2.511 -10.938 -6.912 1.00 12.52 H new ATOM 2239 N GLU A 145 -4.513 -9.270 -3.699 1.00 33.45 N ATOM 2240 CA GLU A 145 -5.949 -8.952 -3.631 1.00 21.50 C ATOM 2241 C GLU A 145 -6.285 -8.066 -2.417 1.00 12.01 C ATOM 2242 O GLU A 145 -7.029 -7.099 -2.549 1.00 20.21 O ATOM 2243 CB GLU A 145 -6.768 -10.261 -3.578 1.00 52.33 C ATOM 2244 CG GLU A 145 -6.743 -11.083 -4.881 1.00 51.50 C ATOM 2245 CD GLU A 145 -7.475 -10.374 -6.036 1.00 1.12 C ATOM 2246 OE1 GLU A 145 -8.710 -10.538 -6.148 1.00 64.40 O ATOM 2247 OE2 GLU A 145 -6.838 -9.628 -6.809 1.00 31.44 O ATOM 0 H GLU A 145 -4.298 -10.224 -3.408 1.00 33.45 H new ATOM 0 HA GLU A 145 -6.211 -8.389 -4.527 1.00 21.50 H new ATOM 0 HB2 GLU A 145 -6.388 -10.880 -2.765 1.00 52.33 H new ATOM 0 HB3 GLU A 145 -7.803 -10.018 -3.336 1.00 52.33 H new ATOM 0 HG2 GLU A 145 -5.709 -11.270 -5.170 1.00 51.50 H new ATOM 0 HG3 GLU A 145 -7.205 -12.054 -4.704 1.00 51.50 H new ATOM 2254 N GLY A 146 -5.711 -8.406 -1.248 1.00 60.40 N ATOM 2255 CA GLY A 146 -5.991 -7.702 0.017 1.00 2.12 C ATOM 2256 C GLY A 146 -5.640 -6.210 -0.012 1.00 51.20 C ATOM 2257 O GLY A 146 -6.389 -5.372 0.510 1.00 73.45 O ATOM 0 H GLY A 146 -5.044 -9.172 -1.154 1.00 60.40 H new ATOM 0 HA2 GLY A 146 -7.049 -7.812 0.256 1.00 2.12 H new ATOM 0 HA3 GLY A 146 -5.431 -8.181 0.820 1.00 2.12 H new ATOM 2261 N MET A 147 -4.496 -5.884 -0.652 1.00 44.44 N ATOM 2262 CA MET A 147 -4.044 -4.484 -0.816 1.00 73.33 C ATOM 2263 C MET A 147 -4.909 -3.751 -1.874 1.00 3.03 C ATOM 2264 O MET A 147 -5.155 -2.555 -1.752 1.00 3.55 O ATOM 2265 CB MET A 147 -2.541 -4.419 -1.213 1.00 12.04 C ATOM 2266 CG MET A 147 -1.890 -3.038 -0.982 1.00 34.02 C ATOM 2267 SD MET A 147 -0.172 -2.952 -1.533 1.00 75.20 S ATOM 2268 CE MET A 147 -0.359 -3.115 -3.307 1.00 14.44 C ATOM 0 H MET A 147 -3.867 -6.573 -1.065 1.00 44.44 H new ATOM 0 HA MET A 147 -4.164 -3.983 0.145 1.00 73.33 H new ATOM 0 HB2 MET A 147 -1.992 -5.168 -0.642 1.00 12.04 H new ATOM 0 HB3 MET A 147 -2.442 -4.685 -2.265 1.00 12.04 H new ATOM 0 HG2 MET A 147 -2.470 -2.279 -1.507 1.00 34.02 H new ATOM 0 HG3 MET A 147 -1.936 -2.796 0.080 1.00 34.02 H new ATOM 0 HE1 MET A 147 0.305 -3.898 -3.672 1.00 14.44 H new ATOM 0 HE2 MET A 147 -1.391 -3.376 -3.542 1.00 14.44 H new ATOM 0 HE3 MET A 147 -0.105 -2.170 -3.788 1.00 14.44 H new ATOM 2278 N ARG A 148 -5.373 -4.491 -2.908 1.00 61.01 N ATOM 2279 CA ARG A 148 -6.252 -3.936 -3.966 1.00 54.44 C ATOM 2280 C ARG A 148 -7.641 -3.541 -3.397 1.00 65.44 C ATOM 2281 O ARG A 148 -8.176 -2.486 -3.729 1.00 4.21 O ATOM 2282 CB ARG A 148 -6.428 -4.961 -5.112 1.00 10.01 C ATOM 2283 CG ARG A 148 -7.348 -4.477 -6.261 1.00 42.22 C ATOM 2284 CD ARG A 148 -7.649 -5.572 -7.294 1.00 64.52 C ATOM 2285 NE ARG A 148 -8.293 -6.754 -6.694 1.00 5.12 N ATOM 2286 CZ ARG A 148 -9.568 -6.861 -6.371 1.00 51.13 C ATOM 2287 NH1 ARG A 148 -10.408 -5.891 -6.581 1.00 30.32 N ATOM 2288 NH2 ARG A 148 -10.001 -7.961 -5.855 1.00 22.23 N ATOM 0 H ARG A 148 -5.152 -5.479 -3.033 1.00 61.01 H new ATOM 0 HA ARG A 148 -5.774 -3.037 -4.356 1.00 54.44 H new ATOM 0 HB2 ARG A 148 -5.448 -5.201 -5.523 1.00 10.01 H new ATOM 0 HB3 ARG A 148 -6.836 -5.884 -4.700 1.00 10.01 H new ATOM 0 HG2 ARG A 148 -8.286 -4.116 -5.840 1.00 42.22 H new ATOM 0 HG3 ARG A 148 -6.878 -3.632 -6.763 1.00 42.22 H new ATOM 0 HD2 ARG A 148 -8.296 -5.165 -8.071 1.00 64.52 H new ATOM 0 HD3 ARG A 148 -6.721 -5.875 -7.778 1.00 64.52 H new ATOM 0 HE ARG A 148 -7.699 -7.563 -6.512 1.00 5.12 H new ATOM 0 HH11 ARG A 148 -10.087 -5.021 -7.005 1.00 30.32 H new ATOM 0 HH12 ARG A 148 -11.388 -6.000 -6.322 1.00 30.32 H new ATOM 0 HH21 ARG A 148 -9.360 -8.739 -5.700 1.00 22.23 H new ATOM 0 HH22 ARG A 148 -10.985 -8.053 -5.602 1.00 22.23 H new ATOM 2302 N GLU A 149 -8.201 -4.413 -2.536 1.00 43.00 N ATOM 2303 CA GLU A 149 -9.511 -4.197 -1.868 1.00 11.34 C ATOM 2304 C GLU A 149 -9.445 -3.014 -0.872 1.00 13.23 C ATOM 2305 O GLU A 149 -10.437 -2.310 -0.662 1.00 51.34 O ATOM 2306 CB GLU A 149 -9.947 -5.504 -1.163 1.00 33.03 C ATOM 2307 CG GLU A 149 -10.180 -6.682 -2.131 1.00 74.01 C ATOM 2308 CD GLU A 149 -10.454 -8.006 -1.409 1.00 45.31 C ATOM 2309 OE1 GLU A 149 -11.609 -8.229 -0.977 1.00 51.44 O ATOM 2310 OE2 GLU A 149 -9.525 -8.833 -1.272 1.00 43.24 O ATOM 0 H GLU A 149 -7.758 -5.295 -2.279 1.00 43.00 H new ATOM 0 HA GLU A 149 -10.255 -3.936 -2.620 1.00 11.34 H new ATOM 0 HB2 GLU A 149 -9.184 -5.787 -0.437 1.00 33.03 H new ATOM 0 HB3 GLU A 149 -10.864 -5.317 -0.605 1.00 33.03 H new ATOM 0 HG2 GLU A 149 -11.022 -6.449 -2.782 1.00 74.01 H new ATOM 0 HG3 GLU A 149 -9.305 -6.798 -2.771 1.00 74.01 H new ATOM 2317 N ALA A 150 -8.253 -2.820 -0.272 1.00 14.31 N ATOM 2318 CA ALA A 150 -7.922 -1.607 0.505 1.00 33.00 C ATOM 2319 C ALA A 150 -8.036 -0.342 -0.381 1.00 23.35 C ATOM 2320 O ALA A 150 -8.688 0.638 -0.013 1.00 62.31 O ATOM 2321 CB ALA A 150 -6.500 -1.736 1.086 1.00 23.32 C ATOM 0 H ALA A 150 -7.493 -3.499 -0.312 1.00 14.31 H new ATOM 0 HA ALA A 150 -8.633 -1.507 1.325 1.00 33.00 H new ATOM 0 HB1 ALA A 150 -6.258 -0.840 1.658 1.00 23.32 H new ATOM 0 HB2 ALA A 150 -6.451 -2.608 1.738 1.00 23.32 H new ATOM 0 HB3 ALA A 150 -5.784 -1.851 0.273 1.00 23.32 H new ATOM 2327 N ILE A 151 -7.408 -0.408 -1.567 1.00 42.30 N ATOM 2328 CA ILE A 151 -7.392 0.693 -2.560 1.00 34.30 C ATOM 2329 C ILE A 151 -8.817 1.015 -3.101 1.00 52.23 C ATOM 2330 O ILE A 151 -9.121 2.161 -3.442 1.00 52.24 O ATOM 2331 CB ILE A 151 -6.393 0.337 -3.730 1.00 12.31 C ATOM 2332 CG1 ILE A 151 -4.928 0.243 -3.183 1.00 11.01 C ATOM 2333 CG2 ILE A 151 -6.471 1.339 -4.904 1.00 55.52 C ATOM 2334 CD1 ILE A 151 -3.902 -0.268 -4.183 1.00 3.21 C ATOM 0 H ILE A 151 -6.891 -1.233 -1.872 1.00 42.30 H new ATOM 0 HA ILE A 151 -7.044 1.598 -2.062 1.00 34.30 H new ATOM 0 HB ILE A 151 -6.694 -0.634 -4.124 1.00 12.31 H new ATOM 0 HG12 ILE A 151 -4.619 1.231 -2.841 1.00 11.01 H new ATOM 0 HG13 ILE A 151 -4.922 -0.412 -2.312 1.00 11.01 H new ATOM 0 HG21 ILE A 151 -5.764 1.046 -5.680 1.00 55.52 H new ATOM 0 HG22 ILE A 151 -7.480 1.340 -5.315 1.00 55.52 H new ATOM 0 HG23 ILE A 151 -6.224 2.339 -4.546 1.00 55.52 H new ATOM 0 HD11 ILE A 151 -2.919 -0.298 -3.713 1.00 3.21 H new ATOM 0 HD12 ILE A 151 -4.179 -1.271 -4.508 1.00 3.21 H new ATOM 0 HD13 ILE A 151 -3.872 0.398 -5.045 1.00 3.21 H new ATOM 2346 N GLU A 152 -9.696 0.004 -3.141 1.00 70.41 N ATOM 2347 CA GLU A 152 -11.116 0.191 -3.521 1.00 22.22 C ATOM 2348 C GLU A 152 -11.898 1.048 -2.486 1.00 44.42 C ATOM 2349 O GLU A 152 -12.908 1.668 -2.829 1.00 32.43 O ATOM 2350 CB GLU A 152 -11.796 -1.188 -3.741 1.00 30.10 C ATOM 2351 CG GLU A 152 -11.226 -2.006 -4.937 1.00 32.11 C ATOM 2352 CD GLU A 152 -11.632 -1.475 -6.337 1.00 50.13 C ATOM 2353 OE1 GLU A 152 -11.348 -0.296 -6.663 1.00 40.03 O ATOM 2354 OE2 GLU A 152 -12.220 -2.239 -7.130 1.00 32.13 O ATOM 0 H GLU A 152 -9.453 -0.960 -2.914 1.00 70.41 H new ATOM 0 HA GLU A 152 -11.137 0.747 -4.458 1.00 22.22 H new ATOM 0 HB2 GLU A 152 -11.693 -1.779 -2.831 1.00 30.10 H new ATOM 0 HB3 GLU A 152 -12.863 -1.031 -3.900 1.00 30.10 H new ATOM 0 HG2 GLU A 152 -10.138 -2.015 -4.868 1.00 32.11 H new ATOM 0 HG3 GLU A 152 -11.560 -3.040 -4.845 1.00 32.11 H new ATOM 2361 N GLN A 153 -11.397 1.104 -1.236 1.00 21.42 N ATOM 2362 CA GLN A 153 -12.003 1.908 -0.142 1.00 53.33 C ATOM 2363 C GLN A 153 -11.504 3.377 -0.150 1.00 1.22 C ATOM 2364 O GLN A 153 -12.017 4.203 0.610 1.00 65.40 O ATOM 2365 CB GLN A 153 -11.696 1.260 1.226 1.00 53.21 C ATOM 2366 CG GLN A 153 -12.113 -0.221 1.355 1.00 21.20 C ATOM 2367 CD GLN A 153 -11.863 -0.823 2.744 1.00 73.30 C ATOM 2368 OE1 GLN A 153 -12.570 -1.716 3.180 1.00 64.43 O ATOM 2369 NE2 GLN A 153 -10.882 -0.324 3.459 1.00 25.54 N ATOM 0 H GLN A 153 -10.561 0.595 -0.951 1.00 21.42 H new ATOM 0 HA GLN A 153 -13.080 1.924 -0.310 1.00 53.33 H new ATOM 0 HB2 GLN A 153 -10.626 1.338 1.416 1.00 53.21 H new ATOM 0 HB3 GLN A 153 -12.201 1.833 2.004 1.00 53.21 H new ATOM 0 HG2 GLN A 153 -13.173 -0.311 1.117 1.00 21.20 H new ATOM 0 HG3 GLN A 153 -11.569 -0.806 0.614 1.00 21.20 H new ATOM 0 HE21 GLN A 153 -10.301 0.423 3.077 1.00 25.54 H new ATOM 0 HE22 GLN A 153 -10.700 -0.683 4.396 1.00 25.54 H new ATOM 2378 N ILE A 154 -10.499 3.694 -0.994 1.00 25.34 N ATOM 2379 CA ILE A 154 -10.043 5.094 -1.209 1.00 43.01 C ATOM 2380 C ILE A 154 -11.189 5.948 -1.799 1.00 14.21 C ATOM 2381 O ILE A 154 -11.284 7.151 -1.529 1.00 24.33 O ATOM 2382 CB ILE A 154 -8.782 5.155 -2.140 1.00 64.34 C ATOM 2383 CG1 ILE A 154 -7.590 4.390 -1.496 1.00 51.32 C ATOM 2384 CG2 ILE A 154 -8.383 6.614 -2.481 1.00 73.41 C ATOM 2385 CD1 ILE A 154 -6.357 4.284 -2.373 1.00 3.53 C ATOM 0 H ILE A 154 -9.985 3.003 -1.540 1.00 25.34 H new ATOM 0 HA ILE A 154 -9.758 5.502 -0.239 1.00 43.01 H new ATOM 0 HB ILE A 154 -9.044 4.666 -3.078 1.00 64.34 H new ATOM 0 HG12 ILE A 154 -7.316 4.888 -0.566 1.00 51.32 H new ATOM 0 HG13 ILE A 154 -7.920 3.385 -1.234 1.00 51.32 H new ATOM 0 HG21 ILE A 154 -7.505 6.610 -3.127 1.00 73.41 H new ATOM 0 HG22 ILE A 154 -9.209 7.107 -2.994 1.00 73.41 H new ATOM 0 HG23 ILE A 154 -8.154 7.153 -1.562 1.00 73.41 H new ATOM 0 HD11 ILE A 154 -5.579 3.736 -1.842 1.00 3.53 H new ATOM 0 HD12 ILE A 154 -6.609 3.757 -3.293 1.00 3.53 H new ATOM 0 HD13 ILE A 154 -5.996 5.283 -2.615 1.00 3.53 H new ATOM 2397 N ASP A 155 -12.071 5.296 -2.588 1.00 23.21 N ATOM 2398 CA ASP A 155 -13.328 5.902 -3.078 1.00 43.50 C ATOM 2399 C ASP A 155 -14.171 6.450 -1.891 1.00 63.05 C ATOM 2400 O ASP A 155 -14.675 7.566 -1.947 1.00 42.50 O ATOM 2401 CB ASP A 155 -14.120 4.840 -3.886 1.00 32.23 C ATOM 2402 CG ASP A 155 -15.395 5.390 -4.550 1.00 42.12 C ATOM 2403 OD1 ASP A 155 -15.310 5.888 -5.690 1.00 34.21 O ATOM 2404 OD2 ASP A 155 -16.487 5.336 -3.937 1.00 63.12 O ATOM 0 H ASP A 155 -11.931 4.336 -2.903 1.00 23.21 H new ATOM 0 HA ASP A 155 -13.098 6.745 -3.730 1.00 43.50 H new ATOM 0 HB2 ASP A 155 -13.471 4.424 -4.656 1.00 32.23 H new ATOM 0 HB3 ASP A 155 -14.392 4.020 -3.222 1.00 32.23 H new ATOM 2409 N ALA A 156 -14.271 5.658 -0.801 1.00 43.02 N ATOM 2410 CA ALA A 156 -14.967 6.072 0.447 1.00 52.32 C ATOM 2411 C ALA A 156 -14.235 7.214 1.192 1.00 64.04 C ATOM 2412 O ALA A 156 -14.862 7.984 1.901 1.00 62.30 O ATOM 2413 CB ALA A 156 -15.135 4.878 1.399 1.00 64.15 C ATOM 0 H ALA A 156 -13.876 4.719 -0.757 1.00 43.02 H new ATOM 0 HA ALA A 156 -15.944 6.445 0.139 1.00 52.32 H new ATOM 0 HB1 ALA A 156 -15.646 5.204 2.305 1.00 64.15 H new ATOM 0 HB2 ALA A 156 -15.724 4.102 0.909 1.00 64.15 H new ATOM 0 HB3 ALA A 156 -14.154 4.479 1.659 1.00 64.15 H new ATOM 2419 N VAL A 157 -12.903 7.257 1.099 1.00 32.32 N ATOM 2420 CA VAL A 157 -12.078 8.278 1.803 1.00 52.33 C ATOM 2421 C VAL A 157 -12.120 9.654 1.090 1.00 3.41 C ATOM 2422 O VAL A 157 -12.044 10.704 1.734 1.00 43.33 O ATOM 2423 CB VAL A 157 -10.600 7.777 1.970 1.00 5.11 C ATOM 2424 CG1 VAL A 157 -9.707 8.803 2.722 1.00 5.54 C ATOM 2425 CG2 VAL A 157 -10.585 6.414 2.693 1.00 54.54 C ATOM 0 H VAL A 157 -12.358 6.598 0.543 1.00 32.32 H new ATOM 0 HA VAL A 157 -12.511 8.418 2.794 1.00 52.33 H new ATOM 0 HB VAL A 157 -10.178 7.664 0.971 1.00 5.11 H new ATOM 0 HG11 VAL A 157 -8.695 8.408 2.811 1.00 5.54 H new ATOM 0 HG12 VAL A 157 -9.683 9.741 2.167 1.00 5.54 H new ATOM 0 HG13 VAL A 157 -10.116 8.981 3.717 1.00 5.54 H new ATOM 0 HG21 VAL A 157 -9.556 6.073 2.805 1.00 54.54 H new ATOM 0 HG22 VAL A 157 -11.042 6.519 3.677 1.00 54.54 H new ATOM 0 HG23 VAL A 157 -11.147 5.686 2.108 1.00 54.54 H new ATOM 2435 N LEU A 158 -12.218 9.637 -0.249 1.00 10.55 N ATOM 2436 CA LEU A 158 -12.289 10.874 -1.060 1.00 62.05 C ATOM 2437 C LEU A 158 -13.739 11.383 -1.207 1.00 31.02 C ATOM 2438 O LEU A 158 -13.972 12.594 -1.261 1.00 71.43 O ATOM 2439 CB LEU A 158 -11.640 10.652 -2.452 1.00 35.11 C ATOM 2440 CG LEU A 158 -10.180 10.091 -2.430 1.00 40.32 C ATOM 2441 CD1 LEU A 158 -9.584 10.032 -3.840 1.00 73.11 C ATOM 2442 CD2 LEU A 158 -9.270 10.881 -1.470 1.00 5.21 C ATOM 0 H LEU A 158 -12.250 8.779 -0.799 1.00 10.55 H new ATOM 0 HA LEU A 158 -11.727 11.644 -0.532 1.00 62.05 H new ATOM 0 HB2 LEU A 158 -12.267 9.965 -3.021 1.00 35.11 H new ATOM 0 HB3 LEU A 158 -11.639 11.601 -2.989 1.00 35.11 H new ATOM 0 HG LEU A 158 -10.237 9.071 -2.049 1.00 40.32 H new ATOM 0 HD11 LEU A 158 -8.569 9.638 -3.790 1.00 73.11 H new ATOM 0 HD12 LEU A 158 -10.195 9.382 -4.466 1.00 73.11 H new ATOM 0 HD13 LEU A 158 -9.563 11.034 -4.268 1.00 73.11 H new ATOM 0 HD21 LEU A 158 -8.266 10.456 -1.488 1.00 5.21 H new ATOM 0 HD22 LEU A 158 -9.228 11.924 -1.784 1.00 5.21 H new ATOM 0 HD23 LEU A 158 -9.671 10.823 -0.458 1.00 5.21 H new ATOM 2454 N SER A 159 -14.706 10.451 -1.273 1.00 64.35 N ATOM 2455 CA SER A 159 -16.146 10.788 -1.405 1.00 42.22 C ATOM 2456 C SER A 159 -16.786 10.990 -0.022 1.00 62.25 C ATOM 2457 O SER A 159 -17.422 12.028 0.229 1.00 23.33 O ATOM 2458 CB SER A 159 -16.891 9.671 -2.163 1.00 34.32 C ATOM 2459 OG SER A 159 -18.257 9.991 -2.381 1.00 51.22 O ATOM 0 H SER A 159 -14.520 9.449 -1.237 1.00 64.35 H new ATOM 0 HA SER A 159 -16.226 11.718 -1.968 1.00 42.22 H new ATOM 0 HB2 SER A 159 -16.403 9.497 -3.122 1.00 34.32 H new ATOM 0 HB3 SER A 159 -16.823 8.742 -1.597 1.00 34.32 H new ATOM 0 HG SER A 159 -18.691 9.258 -2.865 1.00 51.22 H new