USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 793 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 92 LYS NZ :NH3+ -178:sc= 2.21 (180deg=1.11) USER MOD Set 1.2: A 99 TYR OH : rot 30:sc= -1.27! USER MOD Set 2.1: A 64 TYR OH : rot -15:sc= -2.98! USER MOD Set 2.2: A 68 ASN :FLIP amide:sc= -1.46 F(o=-7.5!,f=-4.4) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.921! C(o=0.92!,f=-6.4!) USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.13) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0557) USER MOD Single : A 63 MET CE :methyl 170:sc= -0.647 (180deg=-0.928) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.858) USER MOD Single : A 71 TYR OH : rot -85:sc= 0.0154 USER MOD Single : A 73 SER OG : rot -78:sc= 0.579 USER MOD Single : A 74 THR OG1 : rot -44:sc= 0.0813 USER MOD Single : A 75 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.49) USER MOD Single : A 76 GLN : amide:sc= -1.68! C(o=-1.7!,f=-6.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -150:sc= 0.147 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.116 K(o=-0.12,f=-3.9!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= -0.0684 (180deg=-0.407) USER MOD Single : A 110 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.9) USER MOD Single : A 112 TYR OH : rot 30:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -1.11 K(o=-1.1,f=-8!) USER MOD Single : A 114 TYR OH : rot -106:sc= 0.924 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -124:sc= -0.727 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 20:sc= 1.11 USER MOD Single : A 139 ASN :FLIP amide:sc= 0.799 F(o=-1.1,f=0.8) USER MOD Single : A 145 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.4) USER MOD Single : A 148 ASN : amide:sc=-0.00621 X(o=-0.0062,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 39 2.999 4.581 -1.220 1.00 63.41 N ATOM 2 CA MET A 39 4.035 3.534 -1.280 1.00 65.53 C ATOM 3 C MET A 39 3.408 2.147 -1.340 1.00 31.42 C ATOM 4 O MET A 39 3.042 1.573 -0.322 1.00 53.30 O ATOM 5 CB MET A 39 5.016 3.605 -0.081 1.00 62.34 C ATOM 6 CG MET A 39 5.880 4.847 -0.021 1.00 43.12 C ATOM 7 SD MET A 39 6.983 5.002 -1.438 1.00 45.41 S ATOM 8 CE MET A 39 7.848 6.516 -1.004 1.00 12.31 C ATOM 0 HA MET A 39 4.603 3.716 -2.193 1.00 65.53 H new ATOM 0 HB2 MET A 39 4.440 3.539 0.842 1.00 62.34 H new ATOM 0 HB3 MET A 39 5.667 2.731 -0.114 1.00 62.34 H new ATOM 0 HG2 MET A 39 5.239 5.727 0.032 1.00 43.12 H new ATOM 0 HG3 MET A 39 6.472 4.828 0.894 1.00 43.12 H new ATOM 0 HE1 MET A 39 8.573 6.757 -1.782 1.00 12.31 H new ATOM 0 HE2 MET A 39 7.131 7.331 -0.912 1.00 12.31 H new ATOM 0 HE3 MET A 39 8.366 6.380 -0.055 1.00 12.31 H new ATOM 20 N SER A 40 3.258 1.623 -2.517 1.00 71.40 N ATOM 21 CA SER A 40 2.707 0.305 -2.705 1.00 34.13 C ATOM 22 C SER A 40 3.784 -0.609 -3.270 1.00 63.54 C ATOM 23 O SER A 40 3.700 -1.077 -4.406 1.00 43.24 O ATOM 24 CB SER A 40 1.508 0.378 -3.641 1.00 45.12 C ATOM 25 OG SER A 40 0.551 1.327 -3.158 1.00 73.21 O ATOM 0 H SER A 40 3.514 2.096 -3.384 1.00 71.40 H new ATOM 0 HA SER A 40 2.369 -0.099 -1.751 1.00 34.13 H new ATOM 0 HB2 SER A 40 1.837 0.661 -4.641 1.00 45.12 H new ATOM 0 HB3 SER A 40 1.044 -0.605 -3.724 1.00 45.12 H new ATOM 0 HG SER A 40 -0.212 1.363 -3.772 1.00 73.21 H new ATOM 31 N ARG A 41 4.823 -0.788 -2.494 1.00 71.31 N ATOM 32 CA ARG A 41 5.959 -1.588 -2.873 1.00 2.44 C ATOM 33 C ARG A 41 6.651 -2.078 -1.597 1.00 70.11 C ATOM 34 O ARG A 41 6.406 -1.486 -0.530 1.00 1.33 O ATOM 35 CB ARG A 41 6.900 -0.772 -3.794 1.00 75.33 C ATOM 36 CG ARG A 41 7.390 0.533 -3.218 1.00 72.33 C ATOM 37 CD ARG A 41 8.230 1.275 -4.237 1.00 43.02 C ATOM 38 NE ARG A 41 8.811 2.495 -3.684 1.00 23.13 N ATOM 39 CZ ARG A 41 9.141 3.585 -4.377 1.00 13.41 C ATOM 40 NH1 ARG A 41 8.839 3.687 -5.662 1.00 3.33 N ATOM 41 NH2 ARG A 41 9.752 4.583 -3.766 1.00 21.22 N ATOM 0 H ARG A 41 4.904 -0.374 -1.565 1.00 71.31 H new ATOM 0 HA ARG A 41 5.649 -2.461 -3.447 1.00 2.44 H new ATOM 0 HB2 ARG A 41 7.764 -1.389 -4.042 1.00 75.33 H new ATOM 0 HB3 ARG A 41 6.378 -0.565 -4.728 1.00 75.33 H new ATOM 0 HG2 ARG A 41 6.541 1.148 -2.919 1.00 72.33 H new ATOM 0 HG3 ARG A 41 7.978 0.344 -2.320 1.00 72.33 H new ATOM 0 HD2 ARG A 41 9.028 0.623 -4.593 1.00 43.02 H new ATOM 0 HD3 ARG A 41 7.614 1.526 -5.101 1.00 43.02 H new ATOM 0 HE ARG A 41 8.979 2.515 -2.678 1.00 23.13 H new ATOM 0 HH11 ARG A 41 8.348 2.926 -6.133 1.00 3.33 H new ATOM 0 HH12 ARG A 41 9.097 4.526 -6.181 1.00 3.33 H new ATOM 0 HH21 ARG A 41 9.968 4.516 -2.771 1.00 21.22 H new ATOM 0 HH22 ARG A 41 10.008 5.421 -4.289 1.00 21.22 H new ATOM 55 N PRO A 42 7.485 -3.166 -1.687 1.00 52.11 N ATOM 56 CA PRO A 42 8.180 -3.822 -0.564 1.00 32.00 C ATOM 57 C PRO A 42 8.523 -2.934 0.634 1.00 34.10 C ATOM 58 O PRO A 42 9.243 -1.930 0.506 1.00 2.24 O ATOM 59 CB PRO A 42 9.471 -4.343 -1.219 1.00 11.32 C ATOM 60 CG PRO A 42 9.272 -4.180 -2.703 1.00 54.33 C ATOM 61 CD PRO A 42 7.820 -3.883 -2.910 1.00 70.13 C ATOM 0 HA PRO A 42 7.530 -4.576 -0.120 1.00 32.00 H new ATOM 0 HB2 PRO A 42 10.339 -3.779 -0.876 1.00 11.32 H new ATOM 0 HB3 PRO A 42 9.647 -5.387 -0.960 1.00 11.32 H new ATOM 0 HG2 PRO A 42 9.892 -3.371 -3.090 1.00 54.33 H new ATOM 0 HG3 PRO A 42 9.562 -5.086 -3.235 1.00 54.33 H new ATOM 0 HD2 PRO A 42 7.650 -3.276 -3.799 1.00 70.13 H new ATOM 0 HD3 PRO A 42 7.229 -4.792 -3.026 1.00 70.13 H new ATOM 69 N ASP A 43 7.963 -3.327 1.781 1.00 74.23 N ATOM 70 CA ASP A 43 8.152 -2.735 3.134 1.00 61.03 C ATOM 71 C ASP A 43 7.619 -1.304 3.266 1.00 44.05 C ATOM 72 O ASP A 43 7.017 -0.945 4.276 1.00 63.42 O ATOM 73 CB ASP A 43 9.592 -2.840 3.616 1.00 51.21 C ATOM 74 CG ASP A 43 9.668 -2.979 5.120 1.00 23.23 C ATOM 75 OD1 ASP A 43 9.370 -4.086 5.628 1.00 42.11 O ATOM 76 OD2 ASP A 43 10.030 -2.038 5.815 1.00 3.53 O ATOM 0 H ASP A 43 7.321 -4.119 1.805 1.00 74.23 H new ATOM 0 HA ASP A 43 7.536 -3.345 3.795 1.00 61.03 H new ATOM 0 HB2 ASP A 43 10.072 -3.699 3.146 1.00 51.21 H new ATOM 0 HB3 ASP A 43 10.146 -1.955 3.304 1.00 51.21 H new ATOM 81 N GLN A 44 7.768 -0.510 2.228 1.00 30.41 N ATOM 82 CA GLN A 44 7.258 0.846 2.220 1.00 62.21 C ATOM 83 C GLN A 44 5.742 0.833 2.197 1.00 2.24 C ATOM 84 O GLN A 44 5.086 1.803 2.589 1.00 2.31 O ATOM 85 CB GLN A 44 7.823 1.648 1.063 1.00 24.31 C ATOM 86 CG GLN A 44 9.333 1.802 1.119 1.00 42.34 C ATOM 87 CD GLN A 44 9.874 2.672 0.012 1.00 32.34 C ATOM 88 OE1 GLN A 44 9.314 2.741 -1.072 1.00 71.22 O ATOM 89 NE2 GLN A 44 10.963 3.329 0.266 1.00 34.15 N ATOM 0 H GLN A 44 8.244 -0.784 1.368 1.00 30.41 H new ATOM 0 HA GLN A 44 7.584 1.339 3.136 1.00 62.21 H new ATOM 0 HB2 GLN A 44 7.549 1.163 0.126 1.00 24.31 H new ATOM 0 HB3 GLN A 44 7.364 2.637 1.057 1.00 24.31 H new ATOM 0 HG2 GLN A 44 9.614 2.230 2.081 1.00 42.34 H new ATOM 0 HG3 GLN A 44 9.796 0.817 1.060 1.00 42.34 H new ATOM 0 HE21 GLN A 44 11.405 3.249 1.182 1.00 34.15 H new ATOM 0 HE22 GLN A 44 11.377 3.926 -0.450 1.00 34.15 H new ATOM 98 N ALA A 45 5.193 -0.295 1.781 1.00 53.10 N ATOM 99 CA ALA A 45 3.765 -0.538 1.814 1.00 44.23 C ATOM 100 C ALA A 45 3.269 -0.548 3.263 1.00 24.34 C ATOM 101 O ALA A 45 2.108 -0.258 3.541 1.00 33.34 O ATOM 102 CB ALA A 45 3.443 -1.860 1.136 1.00 45.51 C ATOM 0 H ALA A 45 5.734 -1.075 1.407 1.00 53.10 H new ATOM 0 HA ALA A 45 3.257 0.262 1.275 1.00 44.23 H new ATOM 0 HB1 ALA A 45 2.367 -2.032 1.167 1.00 45.51 H new ATOM 0 HB2 ALA A 45 3.776 -1.827 0.099 1.00 45.51 H new ATOM 0 HB3 ALA A 45 3.955 -2.670 1.656 1.00 45.51 H new ATOM 108 N LYS A 46 4.168 -0.845 4.178 1.00 12.13 N ATOM 109 CA LYS A 46 3.845 -0.883 5.588 1.00 63.21 C ATOM 110 C LYS A 46 3.983 0.517 6.166 1.00 14.20 C ATOM 111 O LYS A 46 3.305 0.883 7.121 1.00 22.11 O ATOM 112 CB LYS A 46 4.852 -1.772 6.286 1.00 11.13 C ATOM 113 CG LYS A 46 4.919 -3.190 5.783 1.00 54.42 C ATOM 114 CD LYS A 46 6.109 -3.887 6.389 1.00 5.32 C ATOM 115 CE LYS A 46 6.262 -5.285 5.870 1.00 43.03 C ATOM 116 NZ LYS A 46 7.541 -5.865 6.303 1.00 13.32 N ATOM 0 H LYS A 46 5.141 -1.066 3.966 1.00 12.13 H new ATOM 0 HA LYS A 46 2.830 -1.256 5.726 1.00 63.21 H new ATOM 0 HB2 LYS A 46 5.840 -1.322 6.186 1.00 11.13 H new ATOM 0 HB3 LYS A 46 4.617 -1.793 7.350 1.00 11.13 H new ATOM 0 HG2 LYS A 46 4.003 -3.722 6.042 1.00 54.42 H new ATOM 0 HG3 LYS A 46 4.996 -3.197 4.696 1.00 54.42 H new ATOM 0 HD2 LYS A 46 7.013 -3.318 6.171 1.00 5.32 H new ATOM 0 HD3 LYS A 46 6.002 -3.912 7.473 1.00 5.32 H new ATOM 0 HE2 LYS A 46 5.438 -5.903 6.227 1.00 43.03 H new ATOM 0 HE3 LYS A 46 6.209 -5.281 4.781 1.00 43.03 H new ATOM 0 HZ1 LYS A 46 7.729 -6.734 5.763 1.00 13.32 H new ATOM 0 HZ2 LYS A 46 8.307 -5.181 6.136 1.00 13.32 H new ATOM 0 HZ3 LYS A 46 7.494 -6.091 7.317 1.00 13.32 H new ATOM 130 N VAL A 47 4.807 1.321 5.518 1.00 44.34 N ATOM 131 CA VAL A 47 5.087 2.673 5.986 1.00 74.45 C ATOM 132 C VAL A 47 3.906 3.564 5.708 1.00 2.30 C ATOM 133 O VAL A 47 3.450 4.304 6.576 1.00 45.33 O ATOM 134 CB VAL A 47 6.316 3.265 5.251 1.00 73.45 C ATOM 135 CG1 VAL A 47 6.655 4.664 5.757 1.00 4.30 C ATOM 136 CG2 VAL A 47 7.500 2.354 5.397 1.00 51.42 C ATOM 0 H VAL A 47 5.298 1.062 4.662 1.00 44.34 H new ATOM 0 HA VAL A 47 5.287 2.622 7.056 1.00 74.45 H new ATOM 0 HB VAL A 47 6.061 3.349 4.195 1.00 73.45 H new ATOM 0 HG11 VAL A 47 7.522 5.046 5.218 1.00 4.30 H new ATOM 0 HG12 VAL A 47 5.805 5.326 5.593 1.00 4.30 H new ATOM 0 HG13 VAL A 47 6.880 4.621 6.823 1.00 4.30 H new ATOM 0 HG21 VAL A 47 8.356 2.783 4.876 1.00 51.42 H new ATOM 0 HG22 VAL A 47 7.741 2.237 6.454 1.00 51.42 H new ATOM 0 HG23 VAL A 47 7.265 1.380 4.968 1.00 51.42 H new ATOM 146 N THR A 48 3.377 3.427 4.523 1.00 63.13 N ATOM 147 CA THR A 48 2.308 4.265 4.067 1.00 30.05 C ATOM 148 C THR A 48 1.018 4.038 4.891 1.00 42.51 C ATOM 149 O THR A 48 0.305 4.994 5.206 1.00 62.23 O ATOM 150 CB THR A 48 2.084 4.081 2.537 1.00 11.03 C ATOM 151 OG1 THR A 48 1.143 5.025 2.021 1.00 53.10 O ATOM 152 CG2 THR A 48 1.625 2.675 2.216 1.00 11.44 C ATOM 0 H THR A 48 3.678 2.727 3.845 1.00 63.13 H new ATOM 0 HA THR A 48 2.591 5.305 4.228 1.00 30.05 H new ATOM 0 HB THR A 48 3.046 4.258 2.056 1.00 11.03 H new ATOM 0 HG1 THR A 48 1.029 4.880 1.058 1.00 53.10 H new ATOM 0 HG21 THR A 48 1.477 2.577 1.141 1.00 11.44 H new ATOM 0 HG22 THR A 48 2.381 1.962 2.545 1.00 11.44 H new ATOM 0 HG23 THR A 48 0.686 2.472 2.731 1.00 11.44 H new ATOM 160 N VAL A 49 0.756 2.787 5.304 1.00 2.24 N ATOM 161 CA VAL A 49 -0.437 2.518 6.094 1.00 23.55 C ATOM 162 C VAL A 49 -0.242 3.030 7.505 1.00 32.11 C ATOM 163 O VAL A 49 -1.150 3.599 8.093 1.00 43.23 O ATOM 164 CB VAL A 49 -0.871 1.012 6.109 1.00 73.10 C ATOM 165 CG1 VAL A 49 -1.075 0.485 4.700 1.00 51.45 C ATOM 166 CG2 VAL A 49 0.093 0.122 6.902 1.00 3.23 C ATOM 0 H VAL A 49 1.340 1.974 5.107 1.00 2.24 H new ATOM 0 HA VAL A 49 -1.254 3.051 5.608 1.00 23.55 H new ATOM 0 HB VAL A 49 -1.827 0.971 6.630 1.00 73.10 H new ATOM 0 HG11 VAL A 49 -1.375 -0.562 4.743 1.00 51.45 H new ATOM 0 HG12 VAL A 49 -1.852 1.066 4.203 1.00 51.45 H new ATOM 0 HG13 VAL A 49 -0.144 0.572 4.140 1.00 51.45 H new ATOM 0 HG21 VAL A 49 -0.260 -0.909 6.877 1.00 3.23 H new ATOM 0 HG22 VAL A 49 1.087 0.177 6.458 1.00 3.23 H new ATOM 0 HG23 VAL A 49 0.138 0.465 7.936 1.00 3.23 H new ATOM 176 N ALA A 50 0.990 2.915 8.002 1.00 31.12 N ATOM 177 CA ALA A 50 1.313 3.348 9.336 1.00 11.22 C ATOM 178 C ALA A 50 1.160 4.841 9.454 1.00 64.10 C ATOM 179 O ALA A 50 0.754 5.342 10.485 1.00 34.21 O ATOM 180 CB ALA A 50 2.712 2.938 9.714 1.00 2.43 C ATOM 0 H ALA A 50 1.777 2.521 7.486 1.00 31.12 H new ATOM 0 HA ALA A 50 0.619 2.866 10.024 1.00 11.22 H new ATOM 0 HB1 ALA A 50 2.930 3.278 10.727 1.00 2.43 H new ATOM 0 HB2 ALA A 50 2.798 1.852 9.669 1.00 2.43 H new ATOM 0 HB3 ALA A 50 3.423 3.387 9.020 1.00 2.43 H new ATOM 186 N LYS A 51 1.442 5.554 8.362 1.00 71.53 N ATOM 187 CA LYS A 51 1.305 7.003 8.346 1.00 31.44 C ATOM 188 C LYS A 51 -0.176 7.402 8.506 1.00 45.21 C ATOM 189 O LYS A 51 -0.504 8.455 9.070 1.00 33.12 O ATOM 190 CB LYS A 51 1.858 7.586 7.034 1.00 13.24 C ATOM 191 CG LYS A 51 3.362 7.421 6.814 1.00 73.34 C ATOM 192 CD LYS A 51 4.187 8.302 7.750 1.00 32.24 C ATOM 193 CE LYS A 51 5.681 8.165 7.466 1.00 40.14 C ATOM 194 NZ LYS A 51 6.508 9.117 8.259 1.00 43.24 N ATOM 0 H LYS A 51 1.765 5.150 7.483 1.00 71.53 H new ATOM 0 HA LYS A 51 1.878 7.408 9.180 1.00 31.44 H new ATOM 0 HB2 LYS A 51 1.335 7.117 6.201 1.00 13.24 H new ATOM 0 HB3 LYS A 51 1.620 8.649 7.002 1.00 13.24 H new ATOM 0 HG2 LYS A 51 3.636 6.377 6.966 1.00 73.34 H new ATOM 0 HG3 LYS A 51 3.604 7.667 5.780 1.00 73.34 H new ATOM 0 HD2 LYS A 51 3.886 9.343 7.632 1.00 32.24 H new ATOM 0 HD3 LYS A 51 3.984 8.027 8.785 1.00 32.24 H new ATOM 0 HE2 LYS A 51 5.996 7.145 7.687 1.00 40.14 H new ATOM 0 HE3 LYS A 51 5.861 8.331 6.404 1.00 40.14 H new ATOM 0 HZ1 LYS A 51 7.513 8.981 8.027 1.00 43.24 H new ATOM 0 HZ2 LYS A 51 6.229 10.093 8.031 1.00 43.24 H new ATOM 0 HZ3 LYS A 51 6.360 8.943 9.274 1.00 43.24 H new ATOM 208 N GLY A 52 -1.054 6.517 8.108 1.00 55.42 N ATOM 209 CA GLY A 52 -2.457 6.776 8.244 1.00 10.12 C ATOM 210 C GLY A 52 -2.942 6.358 9.602 1.00 55.44 C ATOM 211 O GLY A 52 -3.825 6.991 10.188 1.00 12.33 O ATOM 0 H GLY A 52 -0.820 5.617 7.690 1.00 55.42 H new ATOM 0 HA2 GLY A 52 -2.653 7.838 8.093 1.00 10.12 H new ATOM 0 HA3 GLY A 52 -3.008 6.237 7.473 1.00 10.12 H new ATOM 215 N ASP A 53 -2.318 5.336 10.135 1.00 31.33 N ATOM 216 CA ASP A 53 -2.713 4.784 11.416 1.00 55.24 C ATOM 217 C ASP A 53 -2.231 5.670 12.540 1.00 4.20 C ATOM 218 O ASP A 53 -2.901 5.823 13.550 1.00 44.14 O ATOM 219 CB ASP A 53 -2.229 3.339 11.604 1.00 1.34 C ATOM 220 CG ASP A 53 -2.798 2.366 10.577 1.00 13.23 C ATOM 221 OD1 ASP A 53 -3.912 2.620 10.030 1.00 31.42 O ATOM 222 OD2 ASP A 53 -2.152 1.328 10.310 1.00 1.12 O ATOM 0 H ASP A 53 -1.526 4.863 9.699 1.00 31.33 H new ATOM 0 HA ASP A 53 -3.802 4.752 11.436 1.00 55.24 H new ATOM 0 HB2 ASP A 53 -1.141 3.319 11.547 1.00 1.34 H new ATOM 0 HB3 ASP A 53 -2.502 3.000 12.603 1.00 1.34 H new ATOM 227 N ILE A 54 -1.078 6.291 12.355 1.00 31.32 N ATOM 228 CA ILE A 54 -0.575 7.245 13.330 1.00 10.54 C ATOM 229 C ILE A 54 -1.476 8.481 13.364 1.00 3.03 C ATOM 230 O ILE A 54 -1.731 9.039 14.440 1.00 10.50 O ATOM 231 CB ILE A 54 0.905 7.656 13.085 1.00 21.22 C ATOM 232 CG1 ILE A 54 1.063 8.264 11.693 1.00 54.15 C ATOM 233 CG2 ILE A 54 1.839 6.465 13.291 1.00 22.04 C ATOM 234 CD1 ILE A 54 2.460 8.660 11.316 1.00 64.02 C ATOM 0 H ILE A 54 -0.475 6.153 11.544 1.00 31.32 H new ATOM 0 HA ILE A 54 -0.595 6.745 14.298 1.00 10.54 H new ATOM 0 HB ILE A 54 1.184 8.417 13.814 1.00 21.22 H new ATOM 0 HG12 ILE A 54 0.697 7.547 10.959 1.00 54.15 H new ATOM 0 HG13 ILE A 54 0.424 9.144 11.625 1.00 54.15 H new ATOM 0 HG21 ILE A 54 2.869 6.775 13.114 1.00 22.04 H new ATOM 0 HG22 ILE A 54 1.741 6.098 14.313 1.00 22.04 H new ATOM 0 HG23 ILE A 54 1.575 5.670 12.593 1.00 22.04 H new ATOM 0 HD11 ILE A 54 2.460 9.080 10.310 1.00 64.02 H new ATOM 0 HD12 ILE A 54 2.830 9.405 12.020 1.00 64.02 H new ATOM 0 HD13 ILE A 54 3.107 7.783 11.343 1.00 64.02 H new ATOM 246 N LYS A 55 -2.008 8.880 12.190 1.00 5.42 N ATOM 247 CA LYS A 55 -2.939 10.013 12.133 1.00 63.11 C ATOM 248 C LYS A 55 -4.237 9.676 12.844 1.00 24.32 C ATOM 249 O LYS A 55 -4.884 10.550 13.431 1.00 2.54 O ATOM 250 CB LYS A 55 -3.214 10.478 10.695 1.00 32.10 C ATOM 251 CG LYS A 55 -2.332 11.637 10.227 1.00 55.25 C ATOM 252 CD LYS A 55 -0.857 11.291 10.205 1.00 75.30 C ATOM 253 CE LYS A 55 0.003 12.513 9.931 1.00 3.31 C ATOM 254 NZ LYS A 55 -0.328 13.185 8.650 1.00 42.34 N ATOM 0 H LYS A 55 -1.811 8.442 11.290 1.00 5.42 H new ATOM 0 HA LYS A 55 -2.458 10.844 12.649 1.00 63.11 H new ATOM 0 HB2 LYS A 55 -3.073 9.634 10.020 1.00 32.10 H new ATOM 0 HB3 LYS A 55 -4.259 10.778 10.616 1.00 32.10 H new ATOM 0 HG2 LYS A 55 -2.643 11.941 9.227 1.00 55.25 H new ATOM 0 HG3 LYS A 55 -2.488 12.493 10.884 1.00 55.25 H new ATOM 0 HD2 LYS A 55 -0.572 10.852 11.161 1.00 75.30 H new ATOM 0 HD3 LYS A 55 -0.672 10.537 9.440 1.00 75.30 H new ATOM 0 HE2 LYS A 55 -0.116 13.224 10.748 1.00 3.31 H new ATOM 0 HE3 LYS A 55 1.052 12.216 9.918 1.00 3.31 H new ATOM 0 HZ1 LYS A 55 0.356 13.947 8.471 1.00 42.34 H new ATOM 0 HZ2 LYS A 55 -0.287 12.493 7.874 1.00 42.34 H new ATOM 0 HZ3 LYS A 55 -1.286 13.586 8.706 1.00 42.34 H new ATOM 268 N ALA A 56 -4.585 8.404 12.811 1.00 13.24 N ATOM 269 CA ALA A 56 -5.759 7.886 13.484 1.00 20.02 C ATOM 270 C ALA A 56 -5.611 8.048 14.990 1.00 43.23 C ATOM 271 O ALA A 56 -6.528 8.510 15.684 1.00 72.55 O ATOM 272 CB ALA A 56 -5.922 6.420 13.140 1.00 72.43 C ATOM 0 H ALA A 56 -4.053 7.693 12.309 1.00 13.24 H new ATOM 0 HA ALA A 56 -6.639 8.440 13.156 1.00 20.02 H new ATOM 0 HB1 ALA A 56 -6.804 6.024 13.643 1.00 72.43 H new ATOM 0 HB2 ALA A 56 -6.040 6.310 12.062 1.00 72.43 H new ATOM 0 HB3 ALA A 56 -5.040 5.869 13.467 1.00 72.43 H new ATOM 278 N ILE A 57 -4.437 7.693 15.483 1.00 15.02 N ATOM 279 CA ILE A 57 -4.128 7.770 16.905 1.00 13.42 C ATOM 280 C ILE A 57 -4.143 9.219 17.367 1.00 53.14 C ATOM 281 O ILE A 57 -4.647 9.523 18.425 1.00 60.11 O ATOM 282 CB ILE A 57 -2.752 7.140 17.217 1.00 0.55 C ATOM 283 CG1 ILE A 57 -2.717 5.715 16.686 1.00 73.34 C ATOM 284 CG2 ILE A 57 -2.507 7.137 18.730 1.00 21.34 C ATOM 285 CD1 ILE A 57 -1.361 5.049 16.753 1.00 41.42 C ATOM 0 H ILE A 57 -3.669 7.343 14.910 1.00 15.02 H new ATOM 0 HA ILE A 57 -4.892 7.208 17.442 1.00 13.42 H new ATOM 0 HB ILE A 57 -1.970 7.727 16.735 1.00 0.55 H new ATOM 0 HG12 ILE A 57 -3.430 5.114 17.250 1.00 73.34 H new ATOM 0 HG13 ILE A 57 -3.054 5.720 15.649 1.00 73.34 H new ATOM 0 HG21 ILE A 57 -1.535 6.691 18.940 1.00 21.34 H new ATOM 0 HG22 ILE A 57 -2.525 8.161 19.104 1.00 21.34 H new ATOM 0 HG23 ILE A 57 -3.287 6.557 19.224 1.00 21.34 H new ATOM 0 HD11 ILE A 57 -1.432 4.037 16.353 1.00 41.42 H new ATOM 0 HD12 ILE A 57 -0.645 5.622 16.164 1.00 41.42 H new ATOM 0 HD13 ILE A 57 -1.027 5.007 17.790 1.00 41.42 H new ATOM 297 N ALA A 58 -3.640 10.114 16.527 1.00 31.51 N ATOM 298 CA ALA A 58 -3.597 11.544 16.849 1.00 62.52 C ATOM 299 C ALA A 58 -5.006 12.113 17.074 1.00 53.03 C ATOM 300 O ALA A 58 -5.194 13.052 17.845 1.00 33.24 O ATOM 301 CB ALA A 58 -2.883 12.314 15.751 1.00 52.13 C ATOM 0 H ALA A 58 -3.253 9.879 15.613 1.00 31.51 H new ATOM 0 HA ALA A 58 -3.040 11.658 17.779 1.00 62.52 H new ATOM 0 HB1 ALA A 58 -2.860 13.374 16.006 1.00 52.13 H new ATOM 0 HB2 ALA A 58 -1.863 11.943 15.650 1.00 52.13 H new ATOM 0 HB3 ALA A 58 -3.413 12.179 14.808 1.00 52.13 H new ATOM 307 N ALA A 59 -5.992 11.502 16.440 1.00 43.44 N ATOM 308 CA ALA A 59 -7.368 11.942 16.564 1.00 52.05 C ATOM 309 C ALA A 59 -7.981 11.361 17.830 1.00 44.42 C ATOM 310 O ALA A 59 -8.804 11.992 18.497 1.00 22.40 O ATOM 311 CB ALA A 59 -8.170 11.520 15.342 1.00 73.33 C ATOM 0 H ALA A 59 -5.862 10.694 15.831 1.00 43.44 H new ATOM 0 HA ALA A 59 -7.390 13.030 16.628 1.00 52.05 H new ATOM 0 HB1 ALA A 59 -9.201 11.857 15.449 1.00 73.33 H new ATOM 0 HB2 ALA A 59 -7.733 11.966 14.448 1.00 73.33 H new ATOM 0 HB3 ALA A 59 -8.151 10.434 15.252 1.00 73.33 H new ATOM 317 N ALA A 60 -7.551 10.169 18.175 1.00 21.12 N ATOM 318 CA ALA A 60 -8.055 9.492 19.344 1.00 73.43 C ATOM 319 C ALA A 60 -7.366 9.997 20.613 1.00 72.42 C ATOM 320 O ALA A 60 -7.959 10.012 21.685 1.00 63.43 O ATOM 321 CB ALA A 60 -7.929 7.995 19.185 1.00 40.31 C ATOM 0 H ALA A 60 -6.846 9.645 17.656 1.00 21.12 H new ATOM 0 HA ALA A 60 -9.115 9.722 19.448 1.00 73.43 H new ATOM 0 HB1 ALA A 60 -8.314 7.501 20.077 1.00 40.31 H new ATOM 0 HB2 ALA A 60 -8.501 7.672 18.315 1.00 40.31 H new ATOM 0 HB3 ALA A 60 -6.880 7.731 19.048 1.00 40.31 H new ATOM 327 N LEU A 61 -6.143 10.456 20.471 1.00 75.14 N ATOM 328 CA LEU A 61 -5.384 11.056 21.560 1.00 24.33 C ATOM 329 C LEU A 61 -6.099 12.351 21.972 1.00 40.40 C ATOM 330 O LEU A 61 -6.132 12.721 23.148 1.00 33.13 O ATOM 331 CB LEU A 61 -3.935 11.293 21.053 1.00 23.23 C ATOM 332 CG LEU A 61 -2.795 11.479 22.082 1.00 24.35 C ATOM 333 CD1 LEU A 61 -2.829 12.832 22.729 1.00 40.31 C ATOM 334 CD2 LEU A 61 -2.841 10.400 23.148 1.00 71.22 C ATOM 0 H LEU A 61 -5.635 10.426 19.587 1.00 75.14 H new ATOM 0 HA LEU A 61 -5.325 10.417 22.441 1.00 24.33 H new ATOM 0 HB2 LEU A 61 -3.668 10.449 20.417 1.00 23.23 H new ATOM 0 HB3 LEU A 61 -3.951 12.178 20.418 1.00 23.23 H new ATOM 0 HG LEU A 61 -1.860 11.395 21.528 1.00 24.35 H new ATOM 0 HD11 LEU A 61 -2.010 12.915 23.443 1.00 40.31 H new ATOM 0 HD12 LEU A 61 -2.724 13.603 21.966 1.00 40.31 H new ATOM 0 HD13 LEU A 61 -3.778 12.963 23.249 1.00 40.31 H new ATOM 0 HD21 LEU A 61 -2.029 10.555 23.858 1.00 71.22 H new ATOM 0 HD22 LEU A 61 -3.795 10.447 23.673 1.00 71.22 H new ATOM 0 HD23 LEU A 61 -2.732 9.422 22.680 1.00 71.22 H new ATOM 346 N ASP A 62 -6.756 12.977 21.000 1.00 64.52 N ATOM 347 CA ASP A 62 -7.584 14.149 21.258 1.00 24.00 C ATOM 348 C ASP A 62 -8.887 13.731 21.957 1.00 21.32 C ATOM 349 O ASP A 62 -9.496 14.499 22.695 1.00 55.12 O ATOM 350 CB ASP A 62 -7.889 14.914 19.969 1.00 61.34 C ATOM 351 CG ASP A 62 -8.839 16.081 20.190 1.00 53.23 C ATOM 352 OD1 ASP A 62 -8.393 17.185 20.580 1.00 33.04 O ATOM 353 OD2 ASP A 62 -10.052 15.922 19.979 1.00 45.40 O ATOM 0 H ASP A 62 -6.730 12.690 20.022 1.00 64.52 H new ATOM 0 HA ASP A 62 -7.027 14.818 21.914 1.00 24.00 H new ATOM 0 HB2 ASP A 62 -6.957 15.285 19.542 1.00 61.34 H new ATOM 0 HB3 ASP A 62 -8.323 14.230 19.240 1.00 61.34 H new ATOM 358 N MET A 63 -9.287 12.490 21.764 1.00 52.33 N ATOM 359 CA MET A 63 -10.469 11.984 22.431 1.00 61.31 C ATOM 360 C MET A 63 -10.152 11.627 23.881 1.00 23.35 C ATOM 361 O MET A 63 -11.036 11.627 24.727 1.00 64.50 O ATOM 362 CB MET A 63 -11.137 10.819 21.683 1.00 74.15 C ATOM 363 CG MET A 63 -11.676 11.203 20.306 1.00 54.24 C ATOM 364 SD MET A 63 -12.743 9.933 19.570 1.00 23.23 S ATOM 365 CE MET A 63 -11.637 8.530 19.450 1.00 53.34 C ATOM 0 H MET A 63 -8.816 11.819 21.157 1.00 52.33 H new ATOM 0 HA MET A 63 -11.206 12.787 22.428 1.00 61.31 H new ATOM 0 HB2 MET A 63 -10.415 10.011 21.568 1.00 74.15 H new ATOM 0 HB3 MET A 63 -11.956 10.431 22.289 1.00 74.15 H new ATOM 0 HG2 MET A 63 -12.237 12.134 20.390 1.00 54.24 H new ATOM 0 HG3 MET A 63 -10.838 11.395 19.636 1.00 54.24 H new ATOM 0 HE1 MET A 63 -12.206 7.640 19.183 1.00 53.34 H new ATOM 0 HE2 MET A 63 -10.886 8.723 18.684 1.00 53.34 H new ATOM 0 HE3 MET A 63 -11.144 8.372 20.409 1.00 53.34 H new ATOM 375 N TYR A 64 -8.880 11.309 24.166 1.00 31.11 N ATOM 376 CA TYR A 64 -8.442 11.159 25.555 1.00 54.31 C ATOM 377 C TYR A 64 -8.401 12.552 26.147 1.00 14.43 C ATOM 378 O TYR A 64 -8.794 12.766 27.285 1.00 13.41 O ATOM 379 CB TYR A 64 -7.040 10.548 25.670 1.00 42.33 C ATOM 380 CG TYR A 64 -6.676 10.244 27.118 1.00 72.24 C ATOM 381 CD1 TYR A 64 -6.246 11.236 27.991 1.00 71.13 C ATOM 382 CD2 TYR A 64 -6.797 8.974 27.619 1.00 14.15 C ATOM 383 CE1 TYR A 64 -5.962 10.967 29.273 1.00 50.43 C ATOM 384 CE2 TYR A 64 -6.502 8.697 28.910 1.00 4.45 C ATOM 385 CZ TYR A 64 -6.086 9.708 29.736 1.00 11.11 C ATOM 386 OH TYR A 64 -5.830 9.477 31.033 1.00 3.23 O ATOM 0 H TYR A 64 -8.153 11.154 23.467 1.00 31.11 H new ATOM 0 HA TYR A 64 -9.130 10.490 26.072 1.00 54.31 H new ATOM 0 HB2 TYR A 64 -6.993 9.631 25.083 1.00 42.33 H new ATOM 0 HB3 TYR A 64 -6.307 11.235 25.247 1.00 42.33 H new ATOM 0 HD1 TYR A 64 -6.138 12.247 27.628 1.00 71.13 H new ATOM 0 HD2 TYR A 64 -7.134 8.179 26.971 1.00 14.15 H new ATOM 0 HE1 TYR A 64 -5.635 11.757 29.933 1.00 50.43 H new ATOM 0 HE2 TYR A 64 -6.594 7.689 29.286 1.00 4.45 H new ATOM 0 HH TYR A 64 -5.352 10.243 31.414 1.00 3.23 H new ATOM 396 N LYS A 65 -7.922 13.501 25.340 1.00 51.42 N ATOM 397 CA LYS A 65 -7.897 14.907 25.702 1.00 50.25 C ATOM 398 C LYS A 65 -9.299 15.378 26.110 1.00 44.02 C ATOM 399 O LYS A 65 -9.454 16.136 27.032 1.00 31.11 O ATOM 400 CB LYS A 65 -7.355 15.713 24.522 1.00 12.34 C ATOM 401 CG LYS A 65 -7.567 17.210 24.576 1.00 13.23 C ATOM 402 CD LYS A 65 -6.840 17.878 23.430 1.00 12.11 C ATOM 403 CE LYS A 65 -7.409 19.238 23.112 1.00 43.45 C ATOM 404 NZ LYS A 65 -8.749 19.124 22.500 1.00 65.11 N ATOM 0 H LYS A 65 -7.540 13.308 24.414 1.00 51.42 H new ATOM 0 HA LYS A 65 -7.242 15.059 26.560 1.00 50.25 H new ATOM 0 HB2 LYS A 65 -6.285 15.522 24.441 1.00 12.34 H new ATOM 0 HB3 LYS A 65 -7.816 15.335 23.610 1.00 12.34 H new ATOM 0 HG2 LYS A 65 -8.632 17.437 24.523 1.00 13.23 H new ATOM 0 HG3 LYS A 65 -7.204 17.603 25.526 1.00 13.23 H new ATOM 0 HD2 LYS A 65 -5.784 17.977 23.680 1.00 12.11 H new ATOM 0 HD3 LYS A 65 -6.900 17.245 22.545 1.00 12.11 H new ATOM 0 HE2 LYS A 65 -7.472 19.832 24.024 1.00 43.45 H new ATOM 0 HE3 LYS A 65 -6.739 19.766 22.433 1.00 43.45 H new ATOM 0 HZ1 LYS A 65 -8.974 20.002 21.991 1.00 65.11 H new ATOM 0 HZ2 LYS A 65 -8.760 18.325 21.834 1.00 65.11 H new ATOM 0 HZ3 LYS A 65 -9.458 18.964 23.244 1.00 65.11 H new ATOM 418 N LEU A 66 -10.302 14.871 25.429 1.00 23.12 N ATOM 419 CA LEU A 66 -11.690 15.148 25.767 1.00 14.43 C ATOM 420 C LEU A 66 -12.097 14.396 27.055 1.00 62.15 C ATOM 421 O LEU A 66 -12.811 14.931 27.899 1.00 32.45 O ATOM 422 CB LEU A 66 -12.590 14.705 24.596 1.00 44.15 C ATOM 423 CG LEU A 66 -14.109 14.828 24.792 1.00 74.32 C ATOM 424 CD1 LEU A 66 -14.525 16.275 24.977 1.00 12.34 C ATOM 425 CD2 LEU A 66 -14.849 14.204 23.620 1.00 75.21 C ATOM 0 H LEU A 66 -10.184 14.255 24.625 1.00 23.12 H new ATOM 0 HA LEU A 66 -11.809 16.217 25.943 1.00 14.43 H new ATOM 0 HB2 LEU A 66 -12.314 15.289 23.718 1.00 44.15 H new ATOM 0 HB3 LEU A 66 -12.362 13.663 24.370 1.00 44.15 H new ATOM 0 HG LEU A 66 -14.375 14.286 25.700 1.00 74.32 H new ATOM 0 HD11 LEU A 66 -15.605 16.328 25.113 1.00 12.34 H new ATOM 0 HD12 LEU A 66 -14.028 16.687 25.855 1.00 12.34 H new ATOM 0 HD13 LEU A 66 -14.241 16.851 24.096 1.00 12.34 H new ATOM 0 HD21 LEU A 66 -15.924 14.300 23.775 1.00 75.21 H new ATOM 0 HD22 LEU A 66 -14.568 14.715 22.699 1.00 75.21 H new ATOM 0 HD23 LEU A 66 -14.586 13.149 23.544 1.00 75.21 H new ATOM 437 N ASP A 67 -11.579 13.193 27.216 1.00 1.13 N ATOM 438 CA ASP A 67 -11.940 12.294 28.339 1.00 24.44 C ATOM 439 C ASP A 67 -11.367 12.781 29.680 1.00 12.05 C ATOM 440 O ASP A 67 -11.914 12.502 30.739 1.00 11.00 O ATOM 441 CB ASP A 67 -11.388 10.884 28.007 1.00 71.21 C ATOM 442 CG ASP A 67 -11.579 9.831 29.092 1.00 43.43 C ATOM 443 OD1 ASP A 67 -12.716 9.466 29.387 1.00 53.03 O ATOM 444 OD2 ASP A 67 -10.565 9.306 29.604 1.00 61.33 O ATOM 0 H ASP A 67 -10.891 12.793 26.578 1.00 1.13 H new ATOM 0 HA ASP A 67 -13.024 12.279 28.450 1.00 24.44 H new ATOM 0 HB2 ASP A 67 -11.868 10.531 27.094 1.00 71.21 H new ATOM 0 HB3 ASP A 67 -10.323 10.971 27.794 1.00 71.21 H new ATOM 449 N ASN A 68 -10.308 13.566 29.627 1.00 4.11 N ATOM 450 CA ASN A 68 -9.692 14.124 30.859 1.00 74.34 C ATOM 451 C ASN A 68 -9.538 15.567 30.732 1.00 0.31 C ATOM 452 O ASN A 68 -8.743 16.152 31.468 1.00 54.01 O ATOM 453 CB ASN A 68 -8.304 13.558 31.202 1.00 2.54 C ATOM 454 CG ASN A 68 -8.198 12.056 31.507 1.00 75.13 C ATOM 455 OD1 ASN A 68 -8.916 11.245 30.804 1.00 33.34 O flip ATOM 456 ND2 ASN A 68 -7.388 11.639 32.343 1.00 42.05 N flip ATOM 0 H ASN A 68 -9.845 13.842 28.761 1.00 4.11 H new ATOM 0 HA ASN A 68 -10.377 13.839 31.658 1.00 74.34 H new ATOM 0 HB2 ASN A 68 -7.637 13.778 30.368 1.00 2.54 H new ATOM 0 HB3 ASN A 68 -7.924 14.103 32.066 1.00 2.54 H new ATOM 0 HD21 ASN A 68 -6.831 12.298 32.887 1.00 42.05 H new ATOM 0 HD22 ASN A 68 -7.276 10.636 32.489 1.00 42.05 H new ATOM 463 N PHE A 69 -10.314 16.157 29.810 1.00 52.44 N ATOM 464 CA PHE A 69 -10.341 17.618 29.510 1.00 12.42 C ATOM 465 C PHE A 69 -8.935 18.237 29.457 1.00 63.10 C ATOM 466 O PHE A 69 -8.754 19.456 29.648 1.00 51.01 O ATOM 467 CB PHE A 69 -11.259 18.340 30.521 1.00 63.22 C ATOM 468 CG PHE A 69 -11.044 17.963 31.969 1.00 73.41 C ATOM 469 CD1 PHE A 69 -10.035 18.505 32.691 1.00 65.14 C ATOM 470 CD2 PHE A 69 -11.876 17.082 32.579 1.00 72.25 C ATOM 471 CE1 PHE A 69 -9.846 18.192 34.009 1.00 14.32 C ATOM 472 CE2 PHE A 69 -11.712 16.736 33.888 1.00 73.01 C ATOM 473 CZ PHE A 69 -10.692 17.298 34.620 1.00 50.23 C ATOM 0 H PHE A 69 -10.963 15.626 29.230 1.00 52.44 H new ATOM 0 HA PHE A 69 -10.753 17.751 28.510 1.00 12.42 H new ATOM 0 HB2 PHE A 69 -11.113 19.415 30.417 1.00 63.22 H new ATOM 0 HB3 PHE A 69 -12.296 18.132 30.258 1.00 63.22 H new ATOM 0 HD1 PHE A 69 -9.362 19.202 32.214 1.00 65.14 H new ATOM 0 HD2 PHE A 69 -12.687 16.645 32.015 1.00 72.25 H new ATOM 0 HE1 PHE A 69 -9.038 18.644 34.565 1.00 14.32 H new ATOM 0 HE2 PHE A 69 -12.381 16.023 34.348 1.00 73.01 H new ATOM 0 HZ PHE A 69 -10.558 17.040 35.660 1.00 50.23 H new ATOM 483 N ALA A 70 -7.997 17.417 29.030 1.00 3.34 N ATOM 484 CA ALA A 70 -6.592 17.693 29.053 1.00 53.34 C ATOM 485 C ALA A 70 -5.883 16.464 28.541 1.00 4.14 C ATOM 486 O ALA A 70 -6.486 15.381 28.478 1.00 70.02 O ATOM 487 CB ALA A 70 -6.163 17.959 30.485 1.00 2.15 C ATOM 0 H ALA A 70 -8.213 16.499 28.641 1.00 3.34 H new ATOM 0 HA ALA A 70 -6.353 18.562 28.440 1.00 53.34 H new ATOM 0 HB1 ALA A 70 -5.094 18.170 30.511 1.00 2.15 H new ATOM 0 HB2 ALA A 70 -6.712 18.816 30.876 1.00 2.15 H new ATOM 0 HB3 ALA A 70 -6.375 17.082 31.097 1.00 2.15 H new ATOM 493 N TYR A 71 -4.654 16.619 28.143 1.00 62.43 N ATOM 494 CA TYR A 71 -3.843 15.502 27.727 1.00 0.13 C ATOM 495 C TYR A 71 -3.359 14.649 28.906 1.00 55.33 C ATOM 496 O TYR A 71 -3.363 15.094 30.069 1.00 24.03 O ATOM 497 CB TYR A 71 -2.637 15.966 26.905 1.00 72.11 C ATOM 498 CG TYR A 71 -2.960 16.353 25.498 1.00 1.30 C ATOM 499 CD1 TYR A 71 -3.751 15.536 24.702 1.00 44.40 C ATOM 500 CD2 TYR A 71 -2.445 17.507 24.946 1.00 64.14 C ATOM 501 CE1 TYR A 71 -4.013 15.857 23.404 1.00 63.32 C ATOM 502 CE2 TYR A 71 -2.708 17.849 23.643 1.00 75.43 C ATOM 503 CZ TYR A 71 -3.487 17.024 22.867 1.00 13.03 C ATOM 504 OH TYR A 71 -3.720 17.355 21.549 1.00 31.45 O ATOM 0 H TYR A 71 -4.182 17.522 28.096 1.00 62.43 H new ATOM 0 HA TYR A 71 -4.488 14.880 27.106 1.00 0.13 H new ATOM 0 HB2 TYR A 71 -2.177 16.817 27.406 1.00 72.11 H new ATOM 0 HB3 TYR A 71 -1.895 15.167 26.888 1.00 72.11 H new ATOM 0 HD1 TYR A 71 -4.166 14.630 25.119 1.00 44.40 H new ATOM 0 HD2 TYR A 71 -1.824 18.153 25.549 1.00 64.14 H new ATOM 0 HE1 TYR A 71 -4.626 15.208 22.797 1.00 63.32 H new ATOM 0 HE2 TYR A 71 -2.305 18.762 23.229 1.00 75.43 H new ATOM 0 HH TYR A 71 -3.062 16.907 20.978 1.00 31.45 H new ATOM 514 N PRO A 72 -2.988 13.386 28.614 1.00 61.12 N ATOM 515 CA PRO A 72 -2.371 12.486 29.591 1.00 40.00 C ATOM 516 C PRO A 72 -0.913 12.932 29.867 1.00 63.42 C ATOM 517 O PRO A 72 -0.342 13.630 29.056 1.00 34.13 O ATOM 518 CB PRO A 72 -2.389 11.130 28.839 1.00 63.02 C ATOM 519 CG PRO A 72 -2.412 11.465 27.401 1.00 61.32 C ATOM 520 CD PRO A 72 -3.173 12.731 27.289 1.00 62.24 C ATOM 0 HA PRO A 72 -2.875 12.458 30.557 1.00 40.00 H new ATOM 0 HB2 PRO A 72 -1.511 10.534 29.087 1.00 63.02 H new ATOM 0 HB3 PRO A 72 -3.263 10.541 29.117 1.00 63.02 H new ATOM 0 HG2 PRO A 72 -1.401 11.582 27.011 1.00 61.32 H new ATOM 0 HG3 PRO A 72 -2.887 10.672 26.823 1.00 61.32 H new ATOM 0 HD2 PRO A 72 -2.792 13.354 26.480 1.00 62.24 H new ATOM 0 HD3 PRO A 72 -4.227 12.545 27.080 1.00 62.24 H new ATOM 528 N SER A 73 -0.304 12.543 30.989 1.00 4.31 N ATOM 529 CA SER A 73 1.068 12.951 31.229 1.00 13.02 C ATOM 530 C SER A 73 1.971 11.879 30.643 1.00 73.12 C ATOM 531 O SER A 73 1.524 10.755 30.475 1.00 0.51 O ATOM 532 CB SER A 73 1.305 13.145 32.726 1.00 24.22 C ATOM 533 OG SER A 73 1.016 11.960 33.455 1.00 54.34 O ATOM 0 H SER A 73 -0.726 11.967 31.718 1.00 4.31 H new ATOM 0 HA SER A 73 1.286 13.907 30.752 1.00 13.02 H new ATOM 0 HB2 SER A 73 2.342 13.435 32.897 1.00 24.22 H new ATOM 0 HB3 SER A 73 0.681 13.960 33.092 1.00 24.22 H new ATOM 0 HG SER A 73 0.046 11.870 33.561 1.00 54.34 H new ATOM 539 N THR A 74 3.204 12.181 30.297 1.00 75.43 N ATOM 540 CA THR A 74 4.033 11.153 29.690 1.00 42.41 C ATOM 541 C THR A 74 4.330 10.011 30.689 1.00 2.52 C ATOM 542 O THR A 74 4.700 8.914 30.303 1.00 31.14 O ATOM 543 CB THR A 74 5.327 11.716 29.026 1.00 64.15 C ATOM 544 OG1 THR A 74 5.833 10.768 28.065 1.00 1.33 O ATOM 545 CG2 THR A 74 6.407 12.025 30.056 1.00 52.45 C ATOM 0 H THR A 74 3.645 13.093 30.418 1.00 75.43 H new ATOM 0 HA THR A 74 3.453 10.729 28.870 1.00 42.41 H new ATOM 0 HB THR A 74 5.064 12.649 28.528 1.00 64.15 H new ATOM 0 HG1 THR A 74 5.809 9.867 28.450 1.00 1.33 H new ATOM 0 HG21 THR A 74 7.291 12.415 29.551 1.00 52.45 H new ATOM 0 HG22 THR A 74 6.035 12.768 30.761 1.00 52.45 H new ATOM 0 HG23 THR A 74 6.669 11.114 30.593 1.00 52.45 H new ATOM 553 N GLN A 75 4.137 10.275 31.964 1.00 52.33 N ATOM 554 CA GLN A 75 4.298 9.256 32.959 1.00 41.43 C ATOM 555 C GLN A 75 2.967 8.619 33.333 1.00 34.43 C ATOM 556 O GLN A 75 2.701 7.458 32.974 1.00 33.54 O ATOM 557 CB GLN A 75 4.957 9.837 34.187 1.00 54.25 C ATOM 558 CG GLN A 75 6.425 10.122 34.015 1.00 72.40 C ATOM 559 CD GLN A 75 7.201 8.849 33.810 1.00 1.12 C ATOM 560 OE1 GLN A 75 7.430 8.397 32.678 1.00 63.42 O ATOM 561 NE2 GLN A 75 7.533 8.219 34.895 1.00 33.54 N ATOM 0 H GLN A 75 3.869 11.189 32.328 1.00 52.33 H new ATOM 0 HA GLN A 75 4.932 8.475 32.539 1.00 41.43 H new ATOM 0 HB2 GLN A 75 4.447 10.761 34.458 1.00 54.25 H new ATOM 0 HB3 GLN A 75 4.826 9.145 35.019 1.00 54.25 H new ATOM 0 HG2 GLN A 75 6.573 10.784 33.162 1.00 72.40 H new ATOM 0 HG3 GLN A 75 6.803 10.645 34.893 1.00 72.40 H new ATOM 0 HE21 GLN A 75 7.325 8.628 35.806 1.00 33.54 H new ATOM 0 HE22 GLN A 75 8.002 7.315 34.837 1.00 33.54 H new ATOM 570 N GLN A 76 2.084 9.396 33.943 1.00 11.11 N ATOM 571 CA GLN A 76 0.829 8.853 34.446 1.00 64.22 C ATOM 572 C GLN A 76 -0.175 8.726 33.374 1.00 74.23 C ATOM 573 O GLN A 76 -0.963 7.805 33.390 1.00 4.43 O ATOM 574 CB GLN A 76 0.284 9.656 35.619 1.00 33.40 C ATOM 575 CG GLN A 76 1.158 9.630 36.865 1.00 25.01 C ATOM 576 CD GLN A 76 1.303 8.242 37.494 1.00 2.44 C ATOM 577 OE1 GLN A 76 1.264 7.203 36.821 1.00 13.42 O ATOM 578 NE2 GLN A 76 1.473 8.212 38.773 1.00 45.24 N ATOM 0 H GLN A 76 2.210 10.396 34.101 1.00 11.11 H new ATOM 0 HA GLN A 76 1.048 7.852 34.817 1.00 64.22 H new ATOM 0 HB2 GLN A 76 0.153 10.691 35.304 1.00 33.40 H new ATOM 0 HB3 GLN A 76 -0.704 9.274 35.876 1.00 33.40 H new ATOM 0 HG2 GLN A 76 2.148 10.007 36.610 1.00 25.01 H new ATOM 0 HG3 GLN A 76 0.738 10.311 37.605 1.00 25.01 H new ATOM 0 HE21 GLN A 76 1.501 9.082 39.304 1.00 45.24 H new ATOM 0 HE22 GLN A 76 1.579 7.318 39.253 1.00 45.24 H new ATOM 587 N GLY A 77 -0.132 9.623 32.417 1.00 71.44 N ATOM 588 CA GLY A 77 -1.026 9.509 31.335 1.00 54.40 C ATOM 589 C GLY A 77 -0.639 8.399 30.367 1.00 51.44 C ATOM 590 O GLY A 77 -1.473 7.916 29.641 1.00 35.20 O ATOM 0 H GLY A 77 0.506 10.418 32.382 1.00 71.44 H new ATOM 0 HA2 GLY A 77 -2.029 9.319 31.716 1.00 54.40 H new ATOM 0 HA3 GLY A 77 -1.063 10.457 30.798 1.00 54.40 H new ATOM 594 N LEU A 78 0.627 7.980 30.378 1.00 33.21 N ATOM 595 CA LEU A 78 1.055 6.863 29.529 1.00 72.32 C ATOM 596 C LEU A 78 0.394 5.618 30.090 1.00 72.14 C ATOM 597 O LEU A 78 -0.250 4.831 29.374 1.00 11.23 O ATOM 598 CB LEU A 78 2.595 6.739 29.550 1.00 30.45 C ATOM 599 CG LEU A 78 3.280 5.860 28.470 1.00 73.41 C ATOM 600 CD1 LEU A 78 4.781 6.038 28.541 1.00 32.31 C ATOM 601 CD2 LEU A 78 2.942 4.380 28.617 1.00 15.12 C ATOM 0 H LEU A 78 1.364 8.387 30.954 1.00 33.21 H new ATOM 0 HA LEU A 78 0.764 7.014 28.489 1.00 72.32 H new ATOM 0 HB2 LEU A 78 3.010 7.744 29.472 1.00 30.45 H new ATOM 0 HB3 LEU A 78 2.883 6.350 30.526 1.00 30.45 H new ATOM 0 HG LEU A 78 2.901 6.190 27.503 1.00 73.41 H new ATOM 0 HD11 LEU A 78 5.257 5.419 27.781 1.00 32.31 H new ATOM 0 HD12 LEU A 78 5.032 7.084 28.366 1.00 32.31 H new ATOM 0 HD13 LEU A 78 5.137 5.739 29.527 1.00 32.31 H new ATOM 0 HD21 LEU A 78 3.448 3.812 27.836 1.00 15.12 H new ATOM 0 HD22 LEU A 78 3.272 4.027 29.594 1.00 15.12 H new ATOM 0 HD23 LEU A 78 1.865 4.242 28.526 1.00 15.12 H new ATOM 613 N GLU A 79 0.480 5.491 31.392 1.00 55.43 N ATOM 614 CA GLU A 79 -0.162 4.413 32.087 1.00 34.33 C ATOM 615 C GLU A 79 -1.663 4.593 32.100 1.00 61.03 C ATOM 616 O GLU A 79 -2.384 3.679 32.374 1.00 41.52 O ATOM 617 CB GLU A 79 0.389 4.272 33.481 1.00 74.05 C ATOM 618 CG GLU A 79 1.770 3.668 33.502 1.00 30.34 C ATOM 619 CD GLU A 79 2.369 3.646 34.869 1.00 3.44 C ATOM 620 OE1 GLU A 79 1.795 2.999 35.785 1.00 45.50 O ATOM 621 OE2 GLU A 79 3.437 4.258 35.061 1.00 22.10 O ATOM 0 H GLU A 79 0.996 6.132 31.994 1.00 55.43 H new ATOM 0 HA GLU A 79 0.051 3.488 31.551 1.00 34.33 H new ATOM 0 HB2 GLU A 79 0.418 5.252 33.957 1.00 74.05 H new ATOM 0 HB3 GLU A 79 -0.284 3.651 34.072 1.00 74.05 H new ATOM 0 HG2 GLU A 79 1.723 2.650 33.114 1.00 30.34 H new ATOM 0 HG3 GLU A 79 2.420 4.234 32.834 1.00 30.34 H new ATOM 628 N ALA A 80 -2.109 5.775 31.777 1.00 50.25 N ATOM 629 CA ALA A 80 -3.517 6.075 31.670 1.00 13.15 C ATOM 630 C ALA A 80 -4.003 5.813 30.251 1.00 61.31 C ATOM 631 O ALA A 80 -5.176 5.891 29.963 1.00 14.01 O ATOM 632 CB ALA A 80 -3.771 7.497 32.071 1.00 60.22 C ATOM 0 H ALA A 80 -1.501 6.569 31.577 1.00 50.25 H new ATOM 0 HA ALA A 80 -4.074 5.425 32.345 1.00 13.15 H new ATOM 0 HB1 ALA A 80 -4.836 7.714 31.987 1.00 60.22 H new ATOM 0 HB2 ALA A 80 -3.450 7.647 33.102 1.00 60.22 H new ATOM 0 HB3 ALA A 80 -3.212 8.165 31.416 1.00 60.22 H new ATOM 638 N LEU A 81 -3.072 5.551 29.368 1.00 21.34 N ATOM 639 CA LEU A 81 -3.393 5.152 28.016 1.00 12.51 C ATOM 640 C LEU A 81 -3.433 3.635 27.927 1.00 65.03 C ATOM 641 O LEU A 81 -4.026 3.062 27.009 1.00 40.32 O ATOM 642 CB LEU A 81 -2.362 5.704 27.025 1.00 2.21 C ATOM 643 CG LEU A 81 -2.355 7.220 26.794 1.00 10.32 C ATOM 644 CD1 LEU A 81 -1.191 7.617 25.896 1.00 61.35 C ATOM 645 CD2 LEU A 81 -3.671 7.673 26.174 1.00 55.21 C ATOM 0 H LEU A 81 -2.072 5.607 29.563 1.00 21.34 H new ATOM 0 HA LEU A 81 -4.370 5.559 27.757 1.00 12.51 H new ATOM 0 HB2 LEU A 81 -1.371 5.410 27.370 1.00 2.21 H new ATOM 0 HB3 LEU A 81 -2.523 5.216 26.063 1.00 2.21 H new ATOM 0 HG LEU A 81 -2.236 7.711 27.760 1.00 10.32 H new ATOM 0 HD11 LEU A 81 -1.201 8.696 25.743 1.00 61.35 H new ATOM 0 HD12 LEU A 81 -0.252 7.327 26.368 1.00 61.35 H new ATOM 0 HD13 LEU A 81 -1.285 7.113 24.934 1.00 61.35 H new ATOM 0 HD21 LEU A 81 -3.647 8.751 26.018 1.00 55.21 H new ATOM 0 HD22 LEU A 81 -3.815 7.171 25.217 1.00 55.21 H new ATOM 0 HD23 LEU A 81 -4.494 7.421 26.843 1.00 55.21 H new ATOM 657 N VAL A 82 -2.755 2.986 28.853 1.00 3.12 N ATOM 658 CA VAL A 82 -2.738 1.530 28.895 1.00 51.31 C ATOM 659 C VAL A 82 -3.682 0.981 29.996 1.00 34.33 C ATOM 660 O VAL A 82 -4.333 -0.057 29.818 1.00 32.11 O ATOM 661 CB VAL A 82 -1.287 0.989 29.094 1.00 10.21 C ATOM 662 CG1 VAL A 82 -1.249 -0.538 29.079 1.00 63.31 C ATOM 663 CG2 VAL A 82 -0.358 1.553 28.017 1.00 42.24 C ATOM 0 H VAL A 82 -2.209 3.439 29.586 1.00 3.12 H new ATOM 0 HA VAL A 82 -3.106 1.174 27.933 1.00 51.31 H new ATOM 0 HB VAL A 82 -0.941 1.320 30.073 1.00 10.21 H new ATOM 0 HG11 VAL A 82 -0.223 -0.878 29.220 1.00 63.31 H new ATOM 0 HG12 VAL A 82 -1.874 -0.925 29.884 1.00 63.31 H new ATOM 0 HG13 VAL A 82 -1.623 -0.902 28.122 1.00 63.31 H new ATOM 0 HG21 VAL A 82 0.650 1.167 28.168 1.00 42.24 H new ATOM 0 HG22 VAL A 82 -0.718 1.253 27.033 1.00 42.24 H new ATOM 0 HG23 VAL A 82 -0.344 2.641 28.082 1.00 42.24 H new ATOM 673 N LYS A 83 -3.775 1.691 31.092 1.00 12.03 N ATOM 674 CA LYS A 83 -4.590 1.303 32.234 1.00 45.34 C ATOM 675 C LYS A 83 -5.564 2.459 32.480 1.00 71.15 C ATOM 676 O LYS A 83 -5.222 3.584 32.151 1.00 3.11 O ATOM 677 CB LYS A 83 -3.670 1.085 33.462 1.00 75.22 C ATOM 678 CG LYS A 83 -4.302 0.379 34.664 1.00 42.52 C ATOM 679 CD LYS A 83 -4.239 -1.164 34.568 1.00 12.04 C ATOM 680 CE LYS A 83 -4.908 -1.728 33.323 1.00 72.15 C ATOM 681 NZ LYS A 83 -4.888 -3.201 33.297 1.00 22.31 N ATOM 0 H LYS A 83 -3.280 2.573 31.226 1.00 12.03 H new ATOM 0 HA LYS A 83 -5.135 0.376 32.057 1.00 45.34 H new ATOM 0 HB2 LYS A 83 -2.803 0.507 33.142 1.00 75.22 H new ATOM 0 HB3 LYS A 83 -3.301 2.057 33.791 1.00 75.22 H new ATOM 0 HG2 LYS A 83 -3.795 0.701 35.574 1.00 42.52 H new ATOM 0 HG3 LYS A 83 -5.343 0.689 34.753 1.00 42.52 H new ATOM 0 HD2 LYS A 83 -3.195 -1.478 34.582 1.00 12.04 H new ATOM 0 HD3 LYS A 83 -4.713 -1.594 35.451 1.00 12.04 H new ATOM 0 HE2 LYS A 83 -5.940 -1.380 33.278 1.00 72.15 H new ATOM 0 HE3 LYS A 83 -4.403 -1.344 32.436 1.00 72.15 H new ATOM 0 HZ1 LYS A 83 -5.354 -3.539 32.431 1.00 22.31 H new ATOM 0 HZ2 LYS A 83 -3.903 -3.535 33.313 1.00 22.31 H new ATOM 0 HZ3 LYS A 83 -5.392 -3.570 34.129 1.00 22.31 H new ATOM 695 N LYS A 84 -6.768 2.196 33.032 1.00 71.40 N ATOM 696 CA LYS A 84 -7.800 3.259 33.189 1.00 70.21 C ATOM 697 C LYS A 84 -7.249 4.473 33.933 1.00 65.44 C ATOM 698 O LYS A 84 -6.557 4.337 34.953 1.00 10.44 O ATOM 699 CB LYS A 84 -9.059 2.728 33.875 1.00 5.51 C ATOM 700 CG LYS A 84 -9.796 1.701 33.064 1.00 61.44 C ATOM 701 CD LYS A 84 -11.075 1.302 33.742 1.00 43.23 C ATOM 702 CE LYS A 84 -11.797 0.258 32.939 1.00 42.10 C ATOM 703 NZ LYS A 84 -13.097 -0.075 33.534 1.00 73.34 N ATOM 0 H LYS A 84 -7.052 1.277 33.372 1.00 71.40 H new ATOM 0 HA LYS A 84 -8.078 3.580 32.185 1.00 70.21 H new ATOM 0 HB2 LYS A 84 -8.783 2.292 34.835 1.00 5.51 H new ATOM 0 HB3 LYS A 84 -9.728 3.562 34.085 1.00 5.51 H new ATOM 0 HG2 LYS A 84 -10.014 2.101 32.074 1.00 61.44 H new ATOM 0 HG3 LYS A 84 -9.166 0.823 32.921 1.00 61.44 H new ATOM 0 HD2 LYS A 84 -10.860 0.917 34.739 1.00 43.23 H new ATOM 0 HD3 LYS A 84 -11.713 2.176 33.869 1.00 43.23 H new ATOM 0 HE2 LYS A 84 -11.943 0.618 31.921 1.00 42.10 H new ATOM 0 HE3 LYS A 84 -11.184 -0.641 32.875 1.00 42.10 H new ATOM 0 HZ1 LYS A 84 -13.569 -0.799 32.955 1.00 73.34 H new ATOM 0 HZ2 LYS A 84 -12.954 -0.441 34.497 1.00 73.34 H new ATOM 0 HZ3 LYS A 84 -13.690 0.778 33.572 1.00 73.34 H new ATOM 717 N PRO A 85 -7.590 5.659 33.431 1.00 41.31 N ATOM 718 CA PRO A 85 -6.961 6.919 33.792 1.00 1.32 C ATOM 719 C PRO A 85 -6.935 7.279 35.259 1.00 3.34 C ATOM 720 O PRO A 85 -7.917 7.103 36.006 1.00 73.11 O ATOM 721 CB PRO A 85 -7.724 7.973 32.992 1.00 24.24 C ATOM 722 CG PRO A 85 -8.989 7.314 32.600 1.00 50.01 C ATOM 723 CD PRO A 85 -8.670 5.872 32.462 1.00 44.14 C ATOM 0 HA PRO A 85 -5.898 6.847 33.561 1.00 1.32 H new ATOM 0 HB2 PRO A 85 -7.912 8.864 33.591 1.00 24.24 H new ATOM 0 HB3 PRO A 85 -7.157 8.291 32.117 1.00 24.24 H new ATOM 0 HG2 PRO A 85 -9.762 7.473 33.352 1.00 50.01 H new ATOM 0 HG3 PRO A 85 -9.368 7.722 31.663 1.00 50.01 H new ATOM 0 HD2 PRO A 85 -9.536 5.248 32.684 1.00 44.14 H new ATOM 0 HD3 PRO A 85 -8.352 5.628 31.448 1.00 44.14 H new ATOM 731 N THR A 86 -5.793 7.778 35.639 1.00 24.33 N ATOM 732 CA THR A 86 -5.524 8.319 36.924 1.00 2.45 C ATOM 733 C THR A 86 -5.864 9.815 36.877 1.00 43.03 C ATOM 734 O THR A 86 -6.279 10.314 35.819 1.00 70.45 O ATOM 735 CB THR A 86 -4.030 8.125 37.214 1.00 15.42 C ATOM 736 OG1 THR A 86 -3.284 8.413 36.004 1.00 44.31 O ATOM 737 CG2 THR A 86 -3.737 6.703 37.667 1.00 61.12 C ATOM 0 H THR A 86 -4.984 7.816 35.018 1.00 24.33 H new ATOM 0 HA THR A 86 -6.111 7.832 37.703 1.00 2.45 H new ATOM 0 HB THR A 86 -3.735 8.800 38.017 1.00 15.42 H new ATOM 0 HG1 THR A 86 -2.464 7.876 35.989 1.00 44.31 H new ATOM 0 HG21 THR A 86 -2.670 6.597 37.865 1.00 61.12 H new ATOM 0 HG22 THR A 86 -4.298 6.488 38.577 1.00 61.12 H new ATOM 0 HG23 THR A 86 -4.032 6.004 36.885 1.00 61.12 H new ATOM 745 N GLY A 87 -5.683 10.527 37.969 1.00 20.14 N ATOM 746 CA GLY A 87 -6.019 11.929 37.972 1.00 62.23 C ATOM 747 C GLY A 87 -7.512 12.111 38.012 1.00 13.43 C ATOM 748 O GLY A 87 -8.203 11.444 38.810 1.00 14.20 O ATOM 0 H GLY A 87 -5.313 10.165 38.848 1.00 20.14 H new ATOM 0 HA2 GLY A 87 -5.564 12.417 38.834 1.00 62.23 H new ATOM 0 HA3 GLY A 87 -5.612 12.409 37.082 1.00 62.23 H new ATOM 752 N ASN A 88 -8.034 12.941 37.144 1.00 22.10 N ATOM 753 CA ASN A 88 -9.461 13.193 37.097 1.00 65.31 C ATOM 754 C ASN A 88 -9.996 13.203 35.687 1.00 23.43 C ATOM 755 O ASN A 88 -9.964 14.220 35.011 1.00 31.24 O ATOM 756 CB ASN A 88 -9.878 14.477 37.841 1.00 0.02 C ATOM 757 CG ASN A 88 -9.814 14.345 39.349 1.00 34.53 C ATOM 758 OD1 ASN A 88 -10.790 13.940 39.995 1.00 13.31 O ATOM 759 ND2 ASN A 88 -8.692 14.677 39.924 1.00 32.44 N ATOM 0 H ASN A 88 -7.491 13.459 36.453 1.00 22.10 H new ATOM 0 HA ASN A 88 -9.913 12.354 37.626 1.00 65.31 H new ATOM 0 HB2 ASN A 88 -9.231 15.296 37.527 1.00 0.02 H new ATOM 0 HB3 ASN A 88 -10.894 14.744 37.550 1.00 0.02 H new ATOM 0 HD21 ASN A 88 -8.598 14.607 40.937 1.00 32.44 H new ATOM 0 HD22 ASN A 88 -7.908 15.007 39.361 1.00 32.44 H new ATOM 766 N PRO A 89 -10.418 12.043 35.192 1.00 70.11 N ATOM 767 CA PRO A 89 -11.088 11.934 33.916 1.00 22.44 C ATOM 768 C PRO A 89 -12.609 12.032 34.124 1.00 24.33 C ATOM 769 O PRO A 89 -13.098 11.907 35.264 1.00 41.02 O ATOM 770 CB PRO A 89 -10.683 10.538 33.437 1.00 31.51 C ATOM 771 CG PRO A 89 -10.500 9.739 34.698 1.00 54.04 C ATOM 772 CD PRO A 89 -10.238 10.716 35.822 1.00 2.33 C ATOM 0 HA PRO A 89 -10.825 12.715 33.203 1.00 22.44 H new ATOM 0 HB2 PRO A 89 -11.451 10.100 32.799 1.00 31.51 H new ATOM 0 HB3 PRO A 89 -9.764 10.571 32.853 1.00 31.51 H new ATOM 0 HG2 PRO A 89 -11.389 9.144 34.907 1.00 54.04 H new ATOM 0 HG3 PRO A 89 -9.668 9.043 34.593 1.00 54.04 H new ATOM 0 HD2 PRO A 89 -10.933 10.569 36.649 1.00 2.33 H new ATOM 0 HD3 PRO A 89 -9.233 10.599 36.226 1.00 2.33 H new ATOM 780 N GLN A 90 -13.344 12.286 33.087 1.00 64.22 N ATOM 781 CA GLN A 90 -14.794 12.372 33.186 1.00 45.45 C ATOM 782 C GLN A 90 -15.388 11.058 32.708 1.00 34.34 C ATOM 783 O GLN A 90 -14.694 10.312 32.039 1.00 20.53 O ATOM 784 CB GLN A 90 -15.320 13.539 32.348 1.00 35.15 C ATOM 785 CG GLN A 90 -14.806 14.890 32.804 1.00 73.14 C ATOM 786 CD GLN A 90 -15.350 16.038 31.985 1.00 75.24 C ATOM 787 OE1 GLN A 90 -15.650 15.891 30.804 1.00 73.45 O ATOM 788 NE2 GLN A 90 -15.471 17.183 32.598 1.00 43.52 N ATOM 0 H GLN A 90 -12.974 12.441 32.149 1.00 64.22 H new ATOM 0 HA GLN A 90 -15.085 12.551 34.221 1.00 45.45 H new ATOM 0 HB2 GLN A 90 -15.038 13.384 31.307 1.00 35.15 H new ATOM 0 HB3 GLN A 90 -16.409 13.542 32.386 1.00 35.15 H new ATOM 0 HG2 GLN A 90 -15.073 15.039 33.850 1.00 73.14 H new ATOM 0 HG3 GLN A 90 -13.717 14.896 32.749 1.00 73.14 H new ATOM 0 HE21 GLN A 90 -15.211 17.265 33.581 1.00 43.52 H new ATOM 0 HE22 GLN A 90 -15.826 17.996 32.094 1.00 43.52 H new ATOM 797 N PRO A 91 -16.644 10.706 33.091 1.00 20.11 N ATOM 798 CA PRO A 91 -17.291 9.473 32.610 1.00 34.05 C ATOM 799 C PRO A 91 -17.431 9.497 31.090 1.00 23.23 C ATOM 800 O PRO A 91 -18.294 10.184 30.543 1.00 0.23 O ATOM 801 CB PRO A 91 -18.670 9.493 33.281 1.00 72.03 C ATOM 802 CG PRO A 91 -18.511 10.405 34.446 1.00 23.12 C ATOM 803 CD PRO A 91 -17.510 11.441 34.029 1.00 51.10 C ATOM 0 HA PRO A 91 -16.720 8.576 32.850 1.00 34.05 H new ATOM 0 HB2 PRO A 91 -19.438 9.855 32.597 1.00 72.03 H new ATOM 0 HB3 PRO A 91 -18.970 8.494 33.598 1.00 72.03 H new ATOM 0 HG2 PRO A 91 -19.462 10.867 34.712 1.00 23.12 H new ATOM 0 HG3 PRO A 91 -18.165 9.859 35.324 1.00 23.12 H new ATOM 0 HD2 PRO A 91 -17.989 12.296 33.551 1.00 51.10 H new ATOM 0 HD3 PRO A 91 -16.948 11.825 34.880 1.00 51.10 H new ATOM 811 N LYS A 92 -16.525 8.830 30.435 1.00 75.04 N ATOM 812 CA LYS A 92 -16.432 8.786 29.009 1.00 20.42 C ATOM 813 C LYS A 92 -15.793 7.437 28.641 1.00 64.23 C ATOM 814 O LYS A 92 -15.033 6.884 29.447 1.00 34.14 O ATOM 815 CB LYS A 92 -15.610 10.037 28.542 1.00 70.53 C ATOM 816 CG LYS A 92 -15.421 10.249 27.036 1.00 2.14 C ATOM 817 CD LYS A 92 -14.423 9.278 26.451 1.00 54.21 C ATOM 818 CE LYS A 92 -14.240 9.482 24.984 1.00 34.20 C ATOM 819 NZ LYS A 92 -13.329 8.479 24.423 1.00 1.11 N ATOM 0 H LYS A 92 -15.803 8.281 30.901 1.00 75.04 H new ATOM 0 HA LYS A 92 -17.395 8.840 28.502 1.00 20.42 H new ATOM 0 HB2 LYS A 92 -16.094 10.926 28.947 1.00 70.53 H new ATOM 0 HB3 LYS A 92 -14.622 9.977 28.998 1.00 70.53 H new ATOM 0 HG2 LYS A 92 -16.379 10.133 26.530 1.00 2.14 H new ATOM 0 HG3 LYS A 92 -15.085 11.270 26.852 1.00 2.14 H new ATOM 0 HD2 LYS A 92 -13.464 9.395 26.956 1.00 54.21 H new ATOM 0 HD3 LYS A 92 -14.758 8.258 26.636 1.00 54.21 H new ATOM 0 HE2 LYS A 92 -15.206 9.423 24.482 1.00 34.20 H new ATOM 0 HE3 LYS A 92 -13.845 10.481 24.799 1.00 34.20 H new ATOM 0 HZ1 LYS A 92 -13.192 8.663 23.409 1.00 1.11 H new ATOM 0 HZ2 LYS A 92 -12.412 8.531 24.911 1.00 1.11 H new ATOM 0 HZ3 LYS A 92 -13.736 7.530 24.551 1.00 1.11 H new ATOM 833 N ASN A 93 -16.175 6.868 27.499 1.00 70.31 N ATOM 834 CA ASN A 93 -15.619 5.583 27.019 1.00 74.11 C ATOM 835 C ASN A 93 -14.112 5.653 26.723 1.00 22.54 C ATOM 836 O ASN A 93 -13.701 6.027 25.615 1.00 51.01 O ATOM 837 CB ASN A 93 -16.367 5.046 25.776 1.00 15.51 C ATOM 838 CG ASN A 93 -17.747 4.479 26.069 1.00 42.43 C ATOM 839 OD1 ASN A 93 -17.901 3.282 26.338 1.00 32.33 O ATOM 840 ND2 ASN A 93 -18.754 5.304 26.021 1.00 42.12 N ATOM 0 H ASN A 93 -16.874 7.274 26.876 1.00 70.31 H new ATOM 0 HA ASN A 93 -15.768 4.887 27.844 1.00 74.11 H new ATOM 0 HB2 ASN A 93 -16.466 5.853 25.050 1.00 15.51 H new ATOM 0 HB3 ASN A 93 -15.760 4.270 25.309 1.00 15.51 H new ATOM 0 HD21 ASN A 93 -19.699 4.967 26.208 1.00 42.12 H new ATOM 0 HD22 ASN A 93 -18.598 6.287 25.797 1.00 42.12 H new ATOM 847 N TRP A 94 -13.321 5.370 27.742 1.00 42.02 N ATOM 848 CA TRP A 94 -11.879 5.268 27.690 1.00 1.30 C ATOM 849 C TRP A 94 -11.437 4.086 26.833 1.00 22.24 C ATOM 850 O TRP A 94 -12.091 3.047 26.808 1.00 13.11 O ATOM 851 CB TRP A 94 -11.354 5.119 29.117 1.00 4.22 C ATOM 852 CG TRP A 94 -9.889 4.901 29.210 1.00 73.33 C ATOM 853 CD1 TRP A 94 -8.925 5.847 29.177 1.00 25.44 C ATOM 854 CD2 TRP A 94 -9.220 3.648 29.357 1.00 52.14 C ATOM 855 NE1 TRP A 94 -7.702 5.259 29.279 1.00 73.30 N ATOM 856 CE2 TRP A 94 -7.855 3.916 29.390 1.00 50.43 C ATOM 857 CE3 TRP A 94 -9.650 2.325 29.455 1.00 34.14 C ATOM 858 CZ2 TRP A 94 -6.908 2.925 29.523 1.00 25.14 C ATOM 859 CZ3 TRP A 94 -8.702 1.336 29.592 1.00 2.24 C ATOM 860 CH2 TRP A 94 -7.349 1.642 29.623 1.00 30.40 C ATOM 0 H TRP A 94 -13.690 5.196 28.677 1.00 42.02 H new ATOM 0 HA TRP A 94 -11.471 6.169 27.232 1.00 1.30 H new ATOM 0 HB2 TRP A 94 -11.613 6.015 29.682 1.00 4.22 H new ATOM 0 HB3 TRP A 94 -11.865 4.283 29.594 1.00 4.22 H new ATOM 0 HD1 TRP A 94 -9.099 6.909 29.084 1.00 25.44 H new ATOM 0 HE1 TRP A 94 -6.809 5.752 29.273 1.00 73.30 H new ATOM 0 HE3 TRP A 94 -10.702 2.082 29.424 1.00 34.14 H new ATOM 0 HZ2 TRP A 94 -5.854 3.158 29.547 1.00 25.14 H new ATOM 0 HZ3 TRP A 94 -9.016 0.306 29.677 1.00 2.24 H new ATOM 0 HH2 TRP A 94 -6.630 0.843 29.729 1.00 30.40 H new ATOM 871 N ASN A 95 -10.346 4.261 26.135 1.00 63.10 N ATOM 872 CA ASN A 95 -9.780 3.242 25.285 1.00 52.55 C ATOM 873 C ASN A 95 -8.334 2.993 25.690 1.00 4.31 C ATOM 874 O ASN A 95 -7.577 3.941 25.850 1.00 3.45 O ATOM 875 CB ASN A 95 -9.819 3.694 23.818 1.00 53.51 C ATOM 876 CG ASN A 95 -9.165 2.714 22.833 1.00 51.22 C ATOM 877 OD1 ASN A 95 -8.619 3.135 21.820 1.00 12.01 O ATOM 878 ND2 ASN A 95 -9.255 1.429 23.077 1.00 62.12 N ATOM 0 H ASN A 95 -9.814 5.132 26.140 1.00 63.10 H new ATOM 0 HA ASN A 95 -10.362 2.327 25.394 1.00 52.55 H new ATOM 0 HB2 ASN A 95 -10.858 3.845 23.525 1.00 53.51 H new ATOM 0 HB3 ASN A 95 -9.321 4.660 23.735 1.00 53.51 H new ATOM 0 HD21 ASN A 95 -8.866 0.756 22.417 1.00 62.12 H new ATOM 0 HD22 ASN A 95 -9.714 1.102 23.927 1.00 62.12 H new ATOM 885 N LYS A 96 -7.948 1.737 25.885 1.00 45.32 N ATOM 886 CA LYS A 96 -6.551 1.454 26.163 1.00 22.54 C ATOM 887 C LYS A 96 -5.805 1.383 24.861 1.00 64.40 C ATOM 888 O LYS A 96 -6.338 1.734 23.808 1.00 42.32 O ATOM 889 CB LYS A 96 -6.324 0.119 26.908 1.00 42.32 C ATOM 890 CG LYS A 96 -6.503 -1.140 26.069 1.00 22.01 C ATOM 891 CD LYS A 96 -6.218 -2.383 26.888 1.00 35.35 C ATOM 892 CE LYS A 96 -6.257 -3.638 26.036 1.00 65.45 C ATOM 893 NZ LYS A 96 -5.927 -4.850 26.819 1.00 21.52 N ATOM 0 H LYS A 96 -8.563 0.924 25.857 1.00 45.32 H new ATOM 0 HA LYS A 96 -6.194 2.256 26.809 1.00 22.54 H new ATOM 0 HB2 LYS A 96 -5.315 0.120 27.319 1.00 42.32 H new ATOM 0 HB3 LYS A 96 -7.012 0.073 27.752 1.00 42.32 H new ATOM 0 HG2 LYS A 96 -7.521 -1.181 25.681 1.00 22.01 H new ATOM 0 HG3 LYS A 96 -5.835 -1.106 25.208 1.00 22.01 H new ATOM 0 HD2 LYS A 96 -5.239 -2.293 27.358 1.00 35.35 H new ATOM 0 HD3 LYS A 96 -6.950 -2.465 27.691 1.00 35.35 H new ATOM 0 HE2 LYS A 96 -7.249 -3.748 25.598 1.00 65.45 H new ATOM 0 HE3 LYS A 96 -5.553 -3.537 25.210 1.00 65.45 H new ATOM 0 HZ1 LYS A 96 -5.965 -5.685 26.200 1.00 21.52 H new ATOM 0 HZ2 LYS A 96 -4.970 -4.757 27.216 1.00 21.52 H new ATOM 0 HZ3 LYS A 96 -6.613 -4.961 27.592 1.00 21.52 H new ATOM 907 N ASP A 97 -4.560 0.961 24.949 1.00 50.44 N ATOM 908 CA ASP A 97 -3.723 0.710 23.801 1.00 75.41 C ATOM 909 C ASP A 97 -3.454 2.017 23.100 1.00 50.24 C ATOM 910 O ASP A 97 -3.272 2.084 21.898 1.00 4.13 O ATOM 911 CB ASP A 97 -4.348 -0.377 22.879 1.00 3.31 C ATOM 912 CG ASP A 97 -3.405 -0.918 21.813 1.00 44.12 C ATOM 913 OD1 ASP A 97 -2.189 -1.058 22.089 1.00 12.02 O ATOM 914 OD2 ASP A 97 -3.887 -1.306 20.709 1.00 32.44 O ATOM 0 H ASP A 97 -4.096 0.780 25.839 1.00 50.44 H new ATOM 0 HA ASP A 97 -2.763 0.300 24.114 1.00 75.41 H new ATOM 0 HB2 ASP A 97 -4.691 -1.206 23.497 1.00 3.31 H new ATOM 0 HB3 ASP A 97 -5.228 0.041 22.390 1.00 3.31 H new ATOM 919 N GLY A 98 -3.470 3.073 23.902 1.00 14.25 N ATOM 920 CA GLY A 98 -2.986 4.351 23.468 1.00 55.22 C ATOM 921 C GLY A 98 -4.021 5.218 22.878 1.00 62.33 C ATOM 922 O GLY A 98 -3.686 6.278 22.365 1.00 3.42 O ATOM 0 H GLY A 98 -3.818 3.056 24.861 1.00 14.25 H new ATOM 0 HA2 GLY A 98 -2.538 4.865 24.318 1.00 55.22 H new ATOM 0 HA3 GLY A 98 -2.194 4.198 22.735 1.00 55.22 H new ATOM 926 N TYR A 99 -5.287 4.798 22.991 1.00 33.51 N ATOM 927 CA TYR A 99 -6.373 5.475 22.326 1.00 11.01 C ATOM 928 C TYR A 99 -6.118 5.397 20.830 1.00 12.54 C ATOM 929 O TYR A 99 -5.591 6.311 20.200 1.00 32.01 O ATOM 930 CB TYR A 99 -6.586 6.923 22.839 1.00 31.11 C ATOM 931 CG TYR A 99 -7.818 7.117 23.664 1.00 45.01 C ATOM 932 CD1 TYR A 99 -7.809 6.880 25.021 1.00 64.21 C ATOM 933 CD2 TYR A 99 -8.990 7.567 23.090 1.00 4.14 C ATOM 934 CE1 TYR A 99 -8.925 7.084 25.773 1.00 13.20 C ATOM 935 CE2 TYR A 99 -10.110 7.769 23.841 1.00 64.22 C ATOM 936 CZ TYR A 99 -10.067 7.524 25.181 1.00 22.42 C ATOM 937 OH TYR A 99 -11.167 7.733 25.940 1.00 13.51 O ATOM 0 H TYR A 99 -5.571 3.988 23.542 1.00 33.51 H new ATOM 0 HA TYR A 99 -7.315 4.978 22.558 1.00 11.01 H new ATOM 0 HB2 TYR A 99 -5.719 7.216 23.431 1.00 31.11 H new ATOM 0 HB3 TYR A 99 -6.629 7.595 21.982 1.00 31.11 H new ATOM 0 HD1 TYR A 99 -6.904 6.528 25.494 1.00 64.21 H new ATOM 0 HD2 TYR A 99 -9.020 7.762 22.028 1.00 4.14 H new ATOM 0 HE1 TYR A 99 -8.903 6.897 26.836 1.00 13.20 H new ATOM 0 HE2 TYR A 99 -11.021 8.119 23.379 1.00 64.22 H new ATOM 0 HH TYR A 99 -10.895 7.992 26.845 1.00 13.51 H new ATOM 947 N LEU A 100 -6.438 4.264 20.296 1.00 20.50 N ATOM 948 CA LEU A 100 -6.114 3.931 18.945 1.00 52.14 C ATOM 949 C LEU A 100 -7.420 3.560 18.262 1.00 20.12 C ATOM 950 O LEU A 100 -8.370 3.134 18.921 1.00 71.14 O ATOM 951 CB LEU A 100 -5.156 2.700 18.991 1.00 50.42 C ATOM 952 CG LEU A 100 -4.070 2.522 17.890 1.00 53.44 C ATOM 953 CD1 LEU A 100 -3.228 1.296 18.180 1.00 21.13 C ATOM 954 CD2 LEU A 100 -4.642 2.434 16.486 1.00 61.42 C ATOM 0 H LEU A 100 -6.941 3.530 20.794 1.00 20.50 H new ATOM 0 HA LEU A 100 -5.632 4.748 18.408 1.00 52.14 H new ATOM 0 HB2 LEU A 100 -4.643 2.723 19.953 1.00 50.42 H new ATOM 0 HB3 LEU A 100 -5.777 1.804 18.983 1.00 50.42 H new ATOM 0 HG LEU A 100 -3.452 3.419 17.921 1.00 53.44 H new ATOM 0 HD11 LEU A 100 -2.472 1.182 17.403 1.00 21.13 H new ATOM 0 HD12 LEU A 100 -2.740 1.411 19.148 1.00 21.13 H new ATOM 0 HD13 LEU A 100 -3.866 0.412 18.198 1.00 21.13 H new ATOM 0 HD21 LEU A 100 -3.830 2.311 15.769 1.00 61.42 H new ATOM 0 HD22 LEU A 100 -5.316 1.580 16.421 1.00 61.42 H new ATOM 0 HD23 LEU A 100 -5.191 3.348 16.259 1.00 61.42 H new ATOM 966 N LYS A 101 -7.501 3.752 16.978 1.00 5.01 N ATOM 967 CA LYS A 101 -8.665 3.323 16.225 1.00 22.35 C ATOM 968 C LYS A 101 -8.588 1.810 16.025 1.00 15.04 C ATOM 969 O LYS A 101 -7.623 1.169 16.470 1.00 11.52 O ATOM 970 CB LYS A 101 -8.724 4.055 14.882 1.00 20.52 C ATOM 971 CG LYS A 101 -8.914 5.568 15.006 1.00 52.54 C ATOM 972 CD LYS A 101 -10.279 5.936 15.580 1.00 12.03 C ATOM 973 CE LYS A 101 -11.399 5.659 14.586 1.00 51.22 C ATOM 974 NZ LYS A 101 -12.721 6.063 15.105 1.00 62.24 N ATOM 0 H LYS A 101 -6.777 4.204 16.420 1.00 5.01 H new ATOM 0 HA LYS A 101 -9.576 3.565 16.773 1.00 22.35 H new ATOM 0 HB2 LYS A 101 -7.804 3.859 14.332 1.00 20.52 H new ATOM 0 HB3 LYS A 101 -9.542 3.644 14.291 1.00 20.52 H new ATOM 0 HG2 LYS A 101 -8.132 5.979 15.644 1.00 52.54 H new ATOM 0 HG3 LYS A 101 -8.799 6.028 14.024 1.00 52.54 H new ATOM 0 HD2 LYS A 101 -10.455 5.369 16.494 1.00 12.03 H new ATOM 0 HD3 LYS A 101 -10.287 6.991 15.853 1.00 12.03 H new ATOM 0 HE2 LYS A 101 -11.197 6.192 13.657 1.00 51.22 H new ATOM 0 HE3 LYS A 101 -11.415 4.596 14.346 1.00 51.22 H new ATOM 0 HZ1 LYS A 101 -13.451 5.855 14.394 1.00 62.24 H new ATOM 0 HZ2 LYS A 101 -12.927 5.536 15.978 1.00 62.24 H new ATOM 0 HZ3 LYS A 101 -12.717 7.083 15.309 1.00 62.24 H new ATOM 988 N LYS A 102 -9.557 1.224 15.368 1.00 63.40 N ATOM 989 CA LYS A 102 -9.532 -0.219 15.171 1.00 64.24 C ATOM 990 C LYS A 102 -8.635 -0.665 14.028 1.00 14.43 C ATOM 991 O LYS A 102 -9.086 -1.092 12.962 1.00 32.24 O ATOM 992 CB LYS A 102 -10.910 -0.899 15.140 1.00 1.50 C ATOM 993 CG LYS A 102 -11.568 -1.080 16.518 1.00 35.34 C ATOM 994 CD LYS A 102 -12.032 0.226 17.160 1.00 50.45 C ATOM 995 CE LYS A 102 -13.242 0.810 16.443 1.00 24.24 C ATOM 996 NZ LYS A 102 -14.411 -0.103 16.486 1.00 74.14 N ATOM 0 H LYS A 102 -10.361 1.704 14.964 1.00 63.40 H new ATOM 0 HA LYS A 102 -9.067 -0.585 16.086 1.00 64.24 H new ATOM 0 HB2 LYS A 102 -11.576 -0.311 14.509 1.00 1.50 H new ATOM 0 HB3 LYS A 102 -10.807 -1.877 14.670 1.00 1.50 H new ATOM 0 HG2 LYS A 102 -12.424 -1.747 16.416 1.00 35.34 H new ATOM 0 HG3 LYS A 102 -10.860 -1.570 17.186 1.00 35.34 H new ATOM 0 HD2 LYS A 102 -12.280 0.049 18.206 1.00 50.45 H new ATOM 0 HD3 LYS A 102 -11.216 0.949 17.144 1.00 50.45 H new ATOM 0 HE2 LYS A 102 -13.509 1.762 16.901 1.00 24.24 H new ATOM 0 HE3 LYS A 102 -12.982 1.017 15.405 1.00 24.24 H new ATOM 0 HZ1 LYS A 102 -15.279 0.434 16.287 1.00 74.14 H new ATOM 0 HZ2 LYS A 102 -14.295 -0.850 15.772 1.00 74.14 H new ATOM 0 HZ3 LYS A 102 -14.480 -0.534 17.430 1.00 74.14 H new ATOM 1010 N LEU A 103 -7.378 -0.456 14.247 1.00 42.40 N ATOM 1011 CA LEU A 103 -6.305 -0.885 13.416 1.00 54.44 C ATOM 1012 C LEU A 103 -5.367 -1.647 14.326 1.00 12.10 C ATOM 1013 O LEU A 103 -5.305 -1.329 15.521 1.00 14.33 O ATOM 1014 CB LEU A 103 -5.563 0.316 12.778 1.00 42.33 C ATOM 1015 CG LEU A 103 -6.290 1.120 11.684 1.00 50.23 C ATOM 1016 CD1 LEU A 103 -6.827 0.226 10.579 1.00 33.43 C ATOM 1017 CD2 LEU A 103 -7.366 2.035 12.242 1.00 3.54 C ATOM 0 H LEU A 103 -7.054 0.054 15.068 1.00 42.40 H new ATOM 0 HA LEU A 103 -6.673 -1.496 12.591 1.00 54.44 H new ATOM 0 HB2 LEU A 103 -5.297 1.007 13.578 1.00 42.33 H new ATOM 0 HB3 LEU A 103 -4.630 -0.055 12.354 1.00 42.33 H new ATOM 0 HG LEU A 103 -5.537 1.769 11.236 1.00 50.23 H new ATOM 0 HD11 LEU A 103 -7.332 0.836 9.830 1.00 33.43 H new ATOM 0 HD12 LEU A 103 -6.002 -0.312 10.113 1.00 33.43 H new ATOM 0 HD13 LEU A 103 -7.534 -0.489 11.001 1.00 33.43 H new ATOM 0 HD21 LEU A 103 -7.844 2.576 11.425 1.00 3.54 H new ATOM 0 HD22 LEU A 103 -8.112 1.440 12.769 1.00 3.54 H new ATOM 0 HD23 LEU A 103 -6.915 2.747 12.934 1.00 3.54 H new ATOM 1029 N PRO A 104 -4.673 -2.670 13.835 1.00 52.51 N ATOM 1030 CA PRO A 104 -3.762 -3.465 14.662 1.00 31.40 C ATOM 1031 C PRO A 104 -2.523 -2.666 15.090 1.00 52.11 C ATOM 1032 O PRO A 104 -2.462 -1.437 14.936 1.00 4.43 O ATOM 1033 CB PRO A 104 -3.358 -4.613 13.729 1.00 11.25 C ATOM 1034 CG PRO A 104 -3.501 -4.046 12.366 1.00 75.12 C ATOM 1035 CD PRO A 104 -4.690 -3.137 12.434 1.00 22.52 C ATOM 0 HA PRO A 104 -4.228 -3.792 15.591 1.00 31.40 H new ATOM 0 HB2 PRO A 104 -2.335 -4.939 13.919 1.00 11.25 H new ATOM 0 HB3 PRO A 104 -4.000 -5.483 13.867 1.00 11.25 H new ATOM 0 HG2 PRO A 104 -2.605 -3.499 12.072 1.00 75.12 H new ATOM 0 HG3 PRO A 104 -3.650 -4.833 11.627 1.00 75.12 H new ATOM 0 HD2 PRO A 104 -4.605 -2.308 11.731 1.00 22.52 H new ATOM 0 HD3 PRO A 104 -5.614 -3.663 12.195 1.00 22.52 H new ATOM 1043 N VAL A 105 -1.553 -3.351 15.635 1.00 33.41 N ATOM 1044 CA VAL A 105 -0.333 -2.709 16.007 1.00 5.14 C ATOM 1045 C VAL A 105 0.492 -2.547 14.718 1.00 44.32 C ATOM 1046 O VAL A 105 0.081 -3.081 13.665 1.00 52.53 O ATOM 1047 CB VAL A 105 0.413 -3.520 17.095 1.00 74.11 C ATOM 1048 CG1 VAL A 105 1.166 -4.731 16.542 1.00 22.42 C ATOM 1049 CG2 VAL A 105 1.280 -2.628 17.950 1.00 63.41 C ATOM 0 H VAL A 105 -1.589 -4.352 15.829 1.00 33.41 H new ATOM 0 HA VAL A 105 -0.517 -1.731 16.452 1.00 5.14 H new ATOM 0 HB VAL A 105 -0.352 -3.942 17.746 1.00 74.11 H new ATOM 0 HG11 VAL A 105 1.665 -5.253 17.358 1.00 22.42 H new ATOM 0 HG12 VAL A 105 0.462 -5.407 16.056 1.00 22.42 H new ATOM 0 HG13 VAL A 105 1.908 -4.398 15.817 1.00 22.42 H new ATOM 0 HG21 VAL A 105 1.789 -3.229 18.703 1.00 63.41 H new ATOM 0 HG22 VAL A 105 2.019 -2.130 17.323 1.00 63.41 H new ATOM 0 HG23 VAL A 105 0.658 -1.880 18.442 1.00 63.41 H new ATOM 1059 N ASP A 106 1.613 -1.873 14.759 1.00 42.01 N ATOM 1060 CA ASP A 106 2.288 -1.536 13.523 1.00 15.22 C ATOM 1061 C ASP A 106 3.080 -2.687 12.960 1.00 13.13 C ATOM 1062 O ASP A 106 3.358 -3.684 13.665 1.00 23.31 O ATOM 1063 CB ASP A 106 3.152 -0.274 13.659 1.00 24.44 C ATOM 1064 CG ASP A 106 4.202 -0.392 14.695 1.00 22.32 C ATOM 1065 OD1 ASP A 106 3.898 -0.079 15.873 1.00 13.34 O ATOM 1066 OD2 ASP A 106 5.337 -0.755 14.356 1.00 62.24 O ATOM 0 H ASP A 106 2.072 -1.551 15.611 1.00 42.01 H new ATOM 0 HA ASP A 106 1.500 -1.314 12.803 1.00 15.22 H new ATOM 0 HB2 ASP A 106 3.621 -0.058 12.699 1.00 24.44 H new ATOM 0 HB3 ASP A 106 2.510 0.574 13.898 1.00 24.44 H new ATOM 1071 N PRO A 107 3.345 -2.647 11.631 1.00 31.34 N ATOM 1072 CA PRO A 107 4.201 -3.606 10.953 1.00 25.50 C ATOM 1073 C PRO A 107 5.566 -3.705 11.603 1.00 42.03 C ATOM 1074 O PRO A 107 5.911 -2.931 12.454 1.00 42.52 O ATOM 1075 CB PRO A 107 4.368 -3.026 9.553 1.00 63.34 C ATOM 1076 CG PRO A 107 3.824 -1.636 9.634 1.00 1.52 C ATOM 1077 CD PRO A 107 2.785 -1.681 10.682 1.00 41.42 C ATOM 0 HA PRO A 107 3.769 -4.606 10.976 1.00 25.50 H new ATOM 0 HB2 PRO A 107 5.415 -3.021 9.252 1.00 63.34 H new ATOM 0 HB3 PRO A 107 3.827 -3.618 8.815 1.00 63.34 H new ATOM 0 HG2 PRO A 107 4.607 -0.922 9.888 1.00 1.52 H new ATOM 0 HG3 PRO A 107 3.404 -1.322 8.678 1.00 1.52 H new ATOM 0 HD2 PRO A 107 2.626 -0.705 11.140 1.00 41.42 H new ATOM 0 HD3 PRO A 107 1.823 -2.008 10.288 1.00 41.42 H new ATOM 1085 N TRP A 108 6.335 -4.677 11.163 1.00 30.04 N ATOM 1086 CA TRP A 108 7.676 -4.998 11.687 1.00 63.34 C ATOM 1087 C TRP A 108 7.559 -5.473 13.143 1.00 24.04 C ATOM 1088 O TRP A 108 8.557 -5.585 13.877 1.00 24.45 O ATOM 1089 CB TRP A 108 8.630 -3.795 11.634 1.00 23.01 C ATOM 1090 CG TRP A 108 8.594 -3.032 10.359 1.00 53.54 C ATOM 1091 CD1 TRP A 108 9.027 -3.442 9.150 1.00 65.23 C ATOM 1092 CD2 TRP A 108 8.086 -1.708 10.189 1.00 53.23 C ATOM 1093 NE1 TRP A 108 8.842 -2.442 8.229 1.00 45.12 N ATOM 1094 CE2 TRP A 108 8.260 -1.366 8.846 1.00 53.24 C ATOM 1095 CE3 TRP A 108 7.503 -0.781 11.058 1.00 65.23 C ATOM 1096 CZ2 TRP A 108 7.875 -0.128 8.337 1.00 63.53 C ATOM 1097 CZ3 TRP A 108 7.116 0.444 10.559 1.00 50.13 C ATOM 1098 CH2 TRP A 108 7.305 0.763 9.209 1.00 63.23 C ATOM 0 H TRP A 108 6.048 -5.296 10.405 1.00 30.04 H new ATOM 0 HA TRP A 108 8.089 -5.783 11.053 1.00 63.34 H new ATOM 0 HB2 TRP A 108 8.387 -3.119 12.454 1.00 23.01 H new ATOM 0 HB3 TRP A 108 9.648 -4.147 11.803 1.00 23.01 H new ATOM 0 HD1 TRP A 108 9.455 -4.411 8.938 1.00 65.23 H new ATOM 0 HE1 TRP A 108 9.097 -2.492 7.243 1.00 45.12 H new ATOM 0 HE3 TRP A 108 7.359 -1.020 12.101 1.00 65.23 H new ATOM 0 HZ2 TRP A 108 8.020 0.120 7.296 1.00 63.53 H new ATOM 0 HZ3 TRP A 108 6.661 1.168 11.219 1.00 50.13 H new ATOM 0 HH2 TRP A 108 6.995 1.732 8.847 1.00 63.23 H new ATOM 1109 N GLY A 109 6.337 -5.793 13.510 1.00 12.22 N ATOM 1110 CA GLY A 109 5.980 -6.262 14.822 1.00 74.20 C ATOM 1111 C GLY A 109 6.297 -5.298 15.951 1.00 60.22 C ATOM 1112 O GLY A 109 6.529 -5.744 17.085 1.00 3.43 O ATOM 0 H GLY A 109 5.540 -5.730 12.877 1.00 12.22 H new ATOM 0 HA2 GLY A 109 4.912 -6.478 14.837 1.00 74.20 H new ATOM 0 HA3 GLY A 109 6.498 -7.202 15.010 1.00 74.20 H new ATOM 1116 N ASN A 110 6.321 -3.995 15.703 1.00 70.31 N ATOM 1117 CA ASN A 110 6.592 -3.101 16.800 1.00 23.30 C ATOM 1118 C ASN A 110 5.295 -2.736 17.444 1.00 73.03 C ATOM 1119 O ASN A 110 4.214 -2.814 16.808 1.00 52.41 O ATOM 1120 CB ASN A 110 7.263 -1.774 16.398 1.00 12.54 C ATOM 1121 CG ASN A 110 8.322 -1.878 15.365 1.00 21.34 C ATOM 1122 OD1 ASN A 110 9.495 -2.159 15.664 1.00 65.10 O ATOM 1123 ND2 ASN A 110 7.952 -1.588 14.165 1.00 23.43 N ATOM 0 H ASN A 110 6.163 -3.557 14.795 1.00 70.31 H new ATOM 0 HA ASN A 110 7.279 -3.638 17.454 1.00 23.30 H new ATOM 0 HB2 ASN A 110 6.493 -1.093 16.036 1.00 12.54 H new ATOM 0 HB3 ASN A 110 7.694 -1.321 17.291 1.00 12.54 H new ATOM 0 HD21 ASN A 110 8.636 -1.582 13.408 1.00 23.43 H new ATOM 0 HD22 ASN A 110 6.976 -1.364 13.972 1.00 23.43 H new ATOM 1130 N PRO A 111 5.338 -2.446 18.729 1.00 62.44 N ATOM 1131 CA PRO A 111 4.252 -1.811 19.367 1.00 22.42 C ATOM 1132 C PRO A 111 4.352 -0.319 19.105 1.00 71.54 C ATOM 1133 O PRO A 111 5.456 0.220 19.063 1.00 3.23 O ATOM 1134 CB PRO A 111 4.467 -2.122 20.855 1.00 72.44 C ATOM 1135 CG PRO A 111 5.940 -2.299 21.002 1.00 2.42 C ATOM 1136 CD PRO A 111 6.448 -2.760 19.661 1.00 25.04 C ATOM 0 HA PRO A 111 3.273 -2.142 19.021 1.00 22.42 H new ATOM 0 HB2 PRO A 111 4.102 -1.311 21.485 1.00 72.44 H new ATOM 0 HB3 PRO A 111 3.929 -3.023 21.152 1.00 72.44 H new ATOM 0 HG2 PRO A 111 6.416 -1.364 21.297 1.00 2.42 H new ATOM 0 HG3 PRO A 111 6.168 -3.031 21.777 1.00 2.42 H new ATOM 0 HD2 PRO A 111 7.364 -2.239 19.381 1.00 25.04 H new ATOM 0 HD3 PRO A 111 6.676 -3.826 19.665 1.00 25.04 H new ATOM 1144 N TYR A 112 3.231 0.348 18.954 1.00 12.31 N ATOM 1145 CA TYR A 112 3.262 1.780 18.795 1.00 5.52 C ATOM 1146 C TYR A 112 3.740 2.349 20.112 1.00 13.52 C ATOM 1147 O TYR A 112 3.387 1.828 21.196 1.00 33.12 O ATOM 1148 CB TYR A 112 1.863 2.370 18.451 1.00 20.32 C ATOM 1149 CG TYR A 112 1.354 2.152 17.031 1.00 35.42 C ATOM 1150 CD1 TYR A 112 0.604 1.038 16.686 1.00 0.53 C ATOM 1151 CD2 TYR A 112 1.625 3.084 16.034 1.00 32.54 C ATOM 1152 CE1 TYR A 112 0.151 0.858 15.385 1.00 62.34 C ATOM 1153 CE2 TYR A 112 1.176 2.910 14.741 1.00 31.21 C ATOM 1154 CZ TYR A 112 0.443 1.796 14.419 1.00 14.31 C ATOM 1155 OH TYR A 112 0.021 1.607 13.110 1.00 73.23 O ATOM 0 H TYR A 112 2.301 -0.071 18.938 1.00 12.31 H new ATOM 0 HA TYR A 112 3.920 2.040 17.966 1.00 5.52 H new ATOM 0 HB2 TYR A 112 1.136 1.943 19.142 1.00 20.32 H new ATOM 0 HB3 TYR A 112 1.891 3.443 18.641 1.00 20.32 H new ATOM 0 HD1 TYR A 112 0.369 0.300 17.439 1.00 0.53 H new ATOM 0 HD2 TYR A 112 2.201 3.965 16.278 1.00 32.54 H new ATOM 0 HE1 TYR A 112 -0.430 -0.017 15.131 1.00 62.34 H new ATOM 0 HE2 TYR A 112 1.401 3.648 13.985 1.00 31.21 H new ATOM 0 HH TYR A 112 -0.810 1.088 13.106 1.00 73.23 H new ATOM 1165 N GLN A 113 4.510 3.375 20.053 1.00 65.21 N ATOM 1166 CA GLN A 113 5.096 3.922 21.249 1.00 32.54 C ATOM 1167 C GLN A 113 4.271 5.132 21.605 1.00 44.31 C ATOM 1168 O GLN A 113 4.206 6.118 20.836 1.00 62.24 O ATOM 1169 CB GLN A 113 6.581 4.414 21.066 1.00 62.02 C ATOM 1170 CG GLN A 113 7.431 3.893 19.875 1.00 61.45 C ATOM 1171 CD GLN A 113 7.704 2.400 19.790 1.00 64.31 C ATOM 1172 OE1 GLN A 113 7.878 1.862 18.691 1.00 72.21 O ATOM 1173 NE2 GLN A 113 7.788 1.732 20.901 1.00 54.21 N ATOM 0 H GLN A 113 4.757 3.863 19.192 1.00 65.21 H new ATOM 0 HA GLN A 113 5.108 3.138 22.006 1.00 32.54 H new ATOM 0 HB2 GLN A 113 6.556 5.501 20.995 1.00 62.02 H new ATOM 0 HB3 GLN A 113 7.119 4.167 21.981 1.00 62.02 H new ATOM 0 HG2 GLN A 113 6.933 4.194 18.953 1.00 61.45 H new ATOM 0 HG3 GLN A 113 8.392 4.407 19.901 1.00 61.45 H new ATOM 0 HE21 GLN A 113 7.639 2.204 21.793 1.00 54.21 H new ATOM 0 HE22 GLN A 113 8.003 0.735 20.882 1.00 54.21 H new ATOM 1182 N TYR A 114 3.598 5.042 22.736 1.00 64.23 N ATOM 1183 CA TYR A 114 2.728 6.102 23.178 1.00 21.01 C ATOM 1184 C TYR A 114 3.472 6.921 24.179 1.00 54.43 C ATOM 1185 O TYR A 114 3.905 6.397 25.211 1.00 62.54 O ATOM 1186 CB TYR A 114 1.455 5.531 23.868 1.00 21.42 C ATOM 1187 CG TYR A 114 0.796 4.393 23.130 1.00 75.43 C ATOM 1188 CD1 TYR A 114 0.682 4.423 21.758 1.00 11.24 C ATOM 1189 CD2 TYR A 114 0.320 3.268 23.812 1.00 42.20 C ATOM 1190 CE1 TYR A 114 0.123 3.393 21.073 1.00 15.30 C ATOM 1191 CE2 TYR A 114 -0.236 2.210 23.122 1.00 72.41 C ATOM 1192 CZ TYR A 114 -0.327 2.293 21.739 1.00 13.55 C ATOM 1193 OH TYR A 114 -0.838 1.247 21.018 1.00 11.33 O ATOM 0 H TYR A 114 3.641 4.240 23.364 1.00 64.23 H new ATOM 0 HA TYR A 114 2.424 6.694 22.315 1.00 21.01 H new ATOM 0 HB2 TYR A 114 1.722 5.191 24.869 1.00 21.42 H new ATOM 0 HB3 TYR A 114 0.731 6.337 23.988 1.00 21.42 H new ATOM 0 HD1 TYR A 114 1.045 5.284 21.216 1.00 11.24 H new ATOM 0 HD2 TYR A 114 0.388 3.227 24.889 1.00 42.20 H new ATOM 0 HE1 TYR A 114 0.035 3.446 19.998 1.00 15.30 H new ATOM 0 HE2 TYR A 114 -0.593 1.336 23.647 1.00 72.41 H new ATOM 0 HH TYR A 114 -1.813 1.231 21.111 1.00 11.33 H new ATOM 1203 N LEU A 115 3.653 8.159 23.876 1.00 71.01 N ATOM 1204 CA LEU A 115 4.254 9.090 24.771 1.00 33.43 C ATOM 1205 C LEU A 115 3.343 10.277 24.864 1.00 2.34 C ATOM 1206 O LEU A 115 2.598 10.576 23.921 1.00 1.21 O ATOM 1207 CB LEU A 115 5.651 9.502 24.300 1.00 45.13 C ATOM 1208 CG LEU A 115 6.736 8.413 24.289 1.00 2.35 C ATOM 1209 CD1 LEU A 115 8.033 8.969 23.722 1.00 51.34 C ATOM 1210 CD2 LEU A 115 6.970 7.868 25.695 1.00 62.52 C ATOM 0 H LEU A 115 3.382 8.563 22.980 1.00 71.01 H new ATOM 0 HA LEU A 115 4.385 8.633 25.752 1.00 33.43 H new ATOM 0 HB2 LEU A 115 5.563 9.902 23.290 1.00 45.13 H new ATOM 0 HB3 LEU A 115 5.996 10.317 24.937 1.00 45.13 H new ATOM 0 HG LEU A 115 6.393 7.595 23.655 1.00 2.35 H new ATOM 0 HD11 LEU A 115 8.793 8.188 23.720 1.00 51.34 H new ATOM 0 HD12 LEU A 115 7.865 9.315 22.702 1.00 51.34 H new ATOM 0 HD13 LEU A 115 8.371 9.803 24.337 1.00 51.34 H new ATOM 0 HD21 LEU A 115 7.742 7.099 25.663 1.00 62.52 H new ATOM 0 HD22 LEU A 115 7.291 8.678 26.350 1.00 62.52 H new ATOM 0 HD23 LEU A 115 6.044 7.438 26.077 1.00 62.52 H new ATOM 1222 N ALA A 116 3.390 10.955 25.942 1.00 14.11 N ATOM 1223 CA ALA A 116 2.518 12.023 26.157 1.00 62.33 C ATOM 1224 C ALA A 116 3.369 13.261 26.472 1.00 73.32 C ATOM 1225 O ALA A 116 4.603 13.153 26.419 1.00 73.22 O ATOM 1226 CB ALA A 116 1.528 11.614 27.240 1.00 32.24 C ATOM 0 H ALA A 116 4.044 10.778 26.704 1.00 14.11 H new ATOM 0 HA ALA A 116 1.914 12.282 25.287 1.00 62.33 H new ATOM 0 HB1 ALA A 116 0.834 12.434 27.427 1.00 32.24 H new ATOM 0 HB2 ALA A 116 0.972 10.736 26.912 1.00 32.24 H new ATOM 0 HB3 ALA A 116 2.068 11.380 28.157 1.00 32.24 H new ATOM 1232 N PRO A 117 2.794 14.442 26.743 1.00 33.24 N ATOM 1233 CA PRO A 117 3.580 15.623 26.988 1.00 21.44 C ATOM 1234 C PRO A 117 4.444 15.544 28.229 1.00 73.11 C ATOM 1235 O PRO A 117 3.993 15.132 29.326 1.00 24.33 O ATOM 1236 CB PRO A 117 2.564 16.739 27.108 1.00 2.34 C ATOM 1237 CG PRO A 117 1.317 16.068 27.515 1.00 12.32 C ATOM 1238 CD PRO A 117 1.362 14.731 26.836 1.00 51.11 C ATOM 0 HA PRO A 117 4.296 15.773 26.180 1.00 21.44 H new ATOM 0 HB2 PRO A 117 2.874 17.479 27.846 1.00 2.34 H new ATOM 0 HB3 PRO A 117 2.440 17.265 26.161 1.00 2.34 H new ATOM 0 HG2 PRO A 117 1.261 15.960 28.598 1.00 12.32 H new ATOM 0 HG3 PRO A 117 0.441 16.639 27.206 1.00 12.32 H new ATOM 0 HD2 PRO A 117 0.836 13.970 27.413 1.00 51.11 H new ATOM 0 HD3 PRO A 117 0.895 14.765 25.852 1.00 51.11 H new ATOM 1289 N GLY A 121 7.129 18.693 24.721 1.00 61.52 N ATOM 1290 CA GLY A 121 6.157 18.233 23.800 1.00 21.01 C ATOM 1291 C GLY A 121 4.800 18.192 24.353 1.00 31.10 C ATOM 1292 O GLY A 121 4.652 17.895 25.517 1.00 11.31 O ATOM 0 HA2 GLY A 121 6.164 18.880 22.923 1.00 21.01 H new ATOM 0 HA3 GLY A 121 6.433 17.234 23.461 1.00 21.01 H new ATOM 1296 N PRO A 122 3.808 18.623 23.555 1.00 0.14 N ATOM 1297 CA PRO A 122 2.378 18.384 23.800 1.00 31.11 C ATOM 1298 C PRO A 122 2.026 16.890 23.740 1.00 74.14 C ATOM 1299 O PRO A 122 1.039 16.483 24.331 1.00 21.34 O ATOM 1300 CB PRO A 122 1.686 19.096 22.645 1.00 53.40 C ATOM 1301 CG PRO A 122 2.660 20.101 22.182 1.00 30.23 C ATOM 1302 CD PRO A 122 4.010 19.508 22.421 1.00 12.30 C ATOM 0 HA PRO A 122 2.082 18.735 24.788 1.00 31.11 H new ATOM 0 HB2 PRO A 122 1.429 18.398 21.848 1.00 53.40 H new ATOM 0 HB3 PRO A 122 0.757 19.566 22.970 1.00 53.40 H new ATOM 0 HG2 PRO A 122 2.515 20.327 21.126 1.00 30.23 H new ATOM 0 HG3 PRO A 122 2.543 21.037 22.727 1.00 30.23 H new ATOM 0 HD2 PRO A 122 4.367 18.963 21.547 1.00 12.30 H new ATOM 0 HD3 PRO A 122 4.751 20.277 22.641 1.00 12.30 H new ATOM 1310 N PHE A 123 2.798 16.102 22.950 1.00 13.24 N ATOM 1311 CA PHE A 123 2.695 14.610 22.923 1.00 5.02 C ATOM 1312 C PHE A 123 3.622 14.046 21.870 1.00 44.22 C ATOM 1313 O PHE A 123 4.112 14.800 21.030 1.00 24.01 O ATOM 1314 CB PHE A 123 1.239 14.053 22.715 1.00 13.33 C ATOM 1315 CG PHE A 123 0.565 14.351 21.389 1.00 24.32 C ATOM 1316 CD1 PHE A 123 -0.200 15.497 21.219 1.00 32.30 C ATOM 1317 CD2 PHE A 123 0.671 13.461 20.323 1.00 2.30 C ATOM 1318 CE1 PHE A 123 -0.834 15.752 20.019 1.00 3.31 C ATOM 1319 CE2 PHE A 123 0.036 13.712 19.125 1.00 32.04 C ATOM 1320 CZ PHE A 123 -0.716 14.860 18.970 1.00 32.41 C ATOM 0 H PHE A 123 3.506 16.473 22.316 1.00 13.24 H new ATOM 0 HA PHE A 123 2.994 14.278 23.917 1.00 5.02 H new ATOM 0 HB2 PHE A 123 1.270 12.971 22.842 1.00 13.33 H new ATOM 0 HB3 PHE A 123 0.609 14.450 23.511 1.00 13.33 H new ATOM 0 HD1 PHE A 123 -0.300 16.197 22.035 1.00 32.30 H new ATOM 0 HD2 PHE A 123 1.259 12.562 20.436 1.00 2.30 H new ATOM 0 HE1 PHE A 123 -1.423 16.650 19.900 1.00 3.31 H new ATOM 0 HE2 PHE A 123 0.127 13.011 18.308 1.00 32.04 H new ATOM 0 HZ PHE A 123 -1.211 15.060 18.031 1.00 32.41 H new ATOM 1330 N ASP A 124 3.881 12.737 21.926 1.00 41.24 N ATOM 1331 CA ASP A 124 4.710 12.054 20.917 1.00 64.24 C ATOM 1332 C ASP A 124 4.105 10.712 20.592 1.00 72.21 C ATOM 1333 O ASP A 124 3.903 9.889 21.479 1.00 10.32 O ATOM 1334 CB ASP A 124 6.167 11.811 21.368 1.00 22.23 C ATOM 1335 CG ASP A 124 6.973 13.044 21.623 1.00 0.05 C ATOM 1336 OD1 ASP A 124 7.362 13.729 20.664 1.00 65.21 O ATOM 1337 OD2 ASP A 124 7.279 13.338 22.806 1.00 1.42 O ATOM 0 H ASP A 124 3.529 12.123 22.661 1.00 41.24 H new ATOM 0 HA ASP A 124 4.733 12.717 20.052 1.00 64.24 H new ATOM 0 HB2 ASP A 124 6.153 11.212 22.279 1.00 22.23 H new ATOM 0 HB3 ASP A 124 6.672 11.219 20.605 1.00 22.23 H new ATOM 1342 N LEU A 125 3.808 10.476 19.350 1.00 1.12 N ATOM 1343 CA LEU A 125 3.272 9.210 18.955 1.00 32.55 C ATOM 1344 C LEU A 125 4.062 8.706 17.764 1.00 5.35 C ATOM 1345 O LEU A 125 4.162 9.407 16.756 1.00 14.23 O ATOM 1346 CB LEU A 125 1.772 9.387 18.633 1.00 40.25 C ATOM 1347 CG LEU A 125 0.939 8.136 18.306 1.00 42.33 C ATOM 1348 CD1 LEU A 125 1.233 7.580 16.920 1.00 35.44 C ATOM 1349 CD2 LEU A 125 1.134 7.066 19.367 1.00 31.44 C ATOM 0 H LEU A 125 3.928 11.146 18.591 1.00 1.12 H new ATOM 0 HA LEU A 125 3.355 8.470 19.751 1.00 32.55 H new ATOM 0 HB2 LEU A 125 1.306 9.882 19.485 1.00 40.25 H new ATOM 0 HB3 LEU A 125 1.693 10.069 17.786 1.00 40.25 H new ATOM 0 HG LEU A 125 -0.106 8.446 18.306 1.00 42.33 H new ATOM 0 HD11 LEU A 125 0.617 6.698 16.744 1.00 35.44 H new ATOM 0 HD12 LEU A 125 1.007 8.337 16.169 1.00 35.44 H new ATOM 0 HD13 LEU A 125 2.286 7.306 16.854 1.00 35.44 H new ATOM 0 HD21 LEU A 125 0.535 6.191 19.115 1.00 31.44 H new ATOM 0 HD22 LEU A 125 2.186 6.785 19.412 1.00 31.44 H new ATOM 0 HD23 LEU A 125 0.820 7.453 20.336 1.00 31.44 H new ATOM 1361 N TYR A 126 4.614 7.504 17.868 1.00 13.42 N ATOM 1362 CA TYR A 126 5.420 6.938 16.785 1.00 31.31 C ATOM 1363 C TYR A 126 5.670 5.480 17.011 1.00 43.13 C ATOM 1364 O TYR A 126 5.339 4.977 18.051 1.00 14.54 O ATOM 1365 CB TYR A 126 6.767 7.687 16.598 1.00 64.43 C ATOM 1366 CG TYR A 126 7.794 7.573 17.723 1.00 21.24 C ATOM 1367 CD1 TYR A 126 7.739 8.397 18.841 1.00 53.35 C ATOM 1368 CD2 TYR A 126 8.847 6.663 17.633 1.00 72.24 C ATOM 1369 CE1 TYR A 126 8.696 8.311 19.838 1.00 23.14 C ATOM 1370 CE2 TYR A 126 9.807 6.578 18.618 1.00 15.32 C ATOM 1371 CZ TYR A 126 9.730 7.403 19.717 1.00 54.35 C ATOM 1372 OH TYR A 126 10.701 7.329 20.696 1.00 71.44 O ATOM 0 H TYR A 126 4.521 6.902 18.686 1.00 13.42 H new ATOM 0 HA TYR A 126 4.844 7.063 15.868 1.00 31.31 H new ATOM 0 HB2 TYR A 126 7.230 7.324 15.680 1.00 64.43 H new ATOM 0 HB3 TYR A 126 6.547 8.744 16.448 1.00 64.43 H new ATOM 0 HD1 TYR A 126 6.938 9.115 18.933 1.00 53.35 H new ATOM 0 HD2 TYR A 126 8.911 6.012 16.774 1.00 72.24 H new ATOM 0 HE1 TYR A 126 8.634 8.951 20.706 1.00 23.14 H new ATOM 0 HE2 TYR A 126 10.616 5.868 18.528 1.00 15.32 H new ATOM 0 HH TYR A 126 11.354 6.638 20.457 1.00 71.44 H new ATOM 1382 N SER A 127 6.164 4.819 16.011 1.00 31.13 N ATOM 1383 CA SER A 127 6.650 3.464 16.107 1.00 74.44 C ATOM 1384 C SER A 127 8.068 3.393 15.578 1.00 32.32 C ATOM 1385 O SER A 127 8.495 4.269 14.805 1.00 0.33 O ATOM 1386 CB SER A 127 5.768 2.523 15.340 1.00 43.01 C ATOM 1387 OG SER A 127 4.475 2.523 15.872 1.00 15.13 O ATOM 0 H SER A 127 6.246 5.213 15.074 1.00 31.13 H new ATOM 0 HA SER A 127 6.637 3.164 17.155 1.00 74.44 H new ATOM 0 HB2 SER A 127 5.736 2.818 14.291 1.00 43.01 H new ATOM 0 HB3 SER A 127 6.183 1.516 15.376 1.00 43.01 H new ATOM 0 HG SER A 127 4.222 1.608 16.117 1.00 15.13 H new ATOM 1393 N LEU A 128 8.801 2.402 16.011 1.00 52.31 N ATOM 1394 CA LEU A 128 10.151 2.169 15.527 1.00 64.01 C ATOM 1395 C LEU A 128 10.148 1.701 14.059 1.00 42.14 C ATOM 1396 O LEU A 128 9.195 1.093 13.600 1.00 1.34 O ATOM 1397 CB LEU A 128 10.852 1.140 16.419 1.00 11.23 C ATOM 1398 CG LEU A 128 11.080 1.558 17.870 1.00 21.34 C ATOM 1399 CD1 LEU A 128 11.781 0.458 18.637 1.00 64.14 C ATOM 1400 CD2 LEU A 128 11.879 2.845 17.938 1.00 3.32 C ATOM 0 H LEU A 128 8.486 1.729 16.710 1.00 52.31 H new ATOM 0 HA LEU A 128 10.698 3.111 15.570 1.00 64.01 H new ATOM 0 HB2 LEU A 128 10.263 0.223 16.414 1.00 11.23 H new ATOM 0 HB3 LEU A 128 11.818 0.901 15.974 1.00 11.23 H new ATOM 0 HG LEU A 128 10.108 1.734 18.331 1.00 21.34 H new ATOM 0 HD11 LEU A 128 11.935 0.775 19.669 1.00 64.14 H new ATOM 0 HD12 LEU A 128 11.169 -0.444 18.621 1.00 64.14 H new ATOM 0 HD13 LEU A 128 12.746 0.249 18.174 1.00 64.14 H new ATOM 0 HD21 LEU A 128 12.030 3.125 18.981 1.00 3.32 H new ATOM 0 HD22 LEU A 128 12.846 2.698 17.458 1.00 3.32 H new ATOM 0 HD23 LEU A 128 11.336 3.638 17.425 1.00 3.32 H new ATOM 1412 N GLY A 129 11.221 2.001 13.333 1.00 31.30 N ATOM 1413 CA GLY A 129 11.309 1.586 11.941 1.00 11.30 C ATOM 1414 C GLY A 129 11.629 0.122 11.803 1.00 72.24 C ATOM 1415 O GLY A 129 11.816 -0.572 12.806 1.00 35.42 O ATOM 0 H GLY A 129 12.027 2.521 13.679 1.00 31.30 H new ATOM 0 HA2 GLY A 129 10.365 1.798 11.440 1.00 11.30 H new ATOM 0 HA3 GLY A 129 12.077 2.173 11.437 1.00 11.30 H new ATOM 1419 N ALA A 130 11.750 -0.332 10.573 1.00 61.11 N ATOM 1420 CA ALA A 130 12.004 -1.739 10.231 1.00 53.22 C ATOM 1421 C ALA A 130 13.247 -2.326 10.886 1.00 31.13 C ATOM 1422 O ALA A 130 13.360 -3.543 11.037 1.00 55.15 O ATOM 1423 CB ALA A 130 12.121 -1.885 8.743 1.00 2.00 C ATOM 0 H ALA A 130 11.675 0.272 9.755 1.00 61.11 H new ATOM 0 HA ALA A 130 11.153 -2.298 10.620 1.00 53.22 H new ATOM 0 HB1 ALA A 130 12.309 -2.929 8.494 1.00 2.00 H new ATOM 0 HB2 ALA A 130 11.193 -1.561 8.272 1.00 2.00 H new ATOM 0 HB3 ALA A 130 12.946 -1.271 8.381 1.00 2.00 H new ATOM 1429 N ASP A 131 14.174 -1.491 11.268 1.00 43.42 N ATOM 1430 CA ASP A 131 15.390 -1.989 11.881 1.00 24.53 C ATOM 1431 C ASP A 131 15.283 -1.985 13.410 1.00 24.23 C ATOM 1432 O ASP A 131 16.084 -2.603 14.102 1.00 74.25 O ATOM 1433 CB ASP A 131 16.589 -1.159 11.420 1.00 63.00 C ATOM 1434 CG ASP A 131 17.903 -1.686 11.947 1.00 72.34 C ATOM 1435 OD1 ASP A 131 18.399 -2.712 11.429 1.00 73.14 O ATOM 1436 OD2 ASP A 131 18.469 -1.085 12.873 1.00 4.34 O ATOM 0 H ASP A 131 14.120 -0.477 11.171 1.00 43.42 H new ATOM 0 HA ASP A 131 15.535 -3.022 11.563 1.00 24.53 H new ATOM 0 HB2 ASP A 131 16.619 -1.146 10.330 1.00 63.00 H new ATOM 0 HB3 ASP A 131 16.459 -0.128 11.748 1.00 63.00 H new ATOM 1441 N GLY A 132 14.239 -1.363 13.926 1.00 45.10 N ATOM 1442 CA GLY A 132 14.079 -1.242 15.376 1.00 11.23 C ATOM 1443 C GLY A 132 14.747 0.016 15.888 1.00 63.51 C ATOM 1444 O GLY A 132 14.819 0.271 17.095 1.00 12.14 O ATOM 0 H GLY A 132 13.493 -0.936 13.376 1.00 45.10 H new ATOM 0 HA2 GLY A 132 13.019 -1.225 15.629 1.00 11.23 H new ATOM 0 HA3 GLY A 132 14.510 -2.114 15.868 1.00 11.23 H new ATOM 1448 N LYS A 133 15.236 0.785 14.959 1.00 40.21 N ATOM 1449 CA LYS A 133 15.905 2.023 15.220 1.00 14.41 C ATOM 1450 C LYS A 133 14.929 3.160 14.988 1.00 42.23 C ATOM 1451 O LYS A 133 14.048 3.062 14.121 1.00 64.50 O ATOM 1452 CB LYS A 133 17.105 2.150 14.250 1.00 3.32 C ATOM 1453 CG LYS A 133 17.888 3.469 14.322 1.00 45.42 C ATOM 1454 CD LYS A 133 18.611 3.669 15.649 1.00 23.21 C ATOM 1455 CE LYS A 133 19.708 2.638 15.862 1.00 10.32 C ATOM 1456 NZ LYS A 133 20.468 2.906 17.094 1.00 2.21 N ATOM 0 H LYS A 133 15.177 0.558 13.966 1.00 40.21 H new ATOM 0 HA LYS A 133 16.264 2.058 16.248 1.00 14.41 H new ATOM 0 HB2 LYS A 133 17.795 1.329 14.446 1.00 3.32 H new ATOM 0 HB3 LYS A 133 16.739 2.022 13.231 1.00 3.32 H new ATOM 0 HG2 LYS A 133 18.616 3.496 13.512 1.00 45.42 H new ATOM 0 HG3 LYS A 133 17.202 4.300 14.161 1.00 45.42 H new ATOM 0 HD2 LYS A 133 19.043 4.669 15.679 1.00 23.21 H new ATOM 0 HD3 LYS A 133 17.892 3.607 16.466 1.00 23.21 H new ATOM 0 HE2 LYS A 133 19.268 1.642 15.914 1.00 10.32 H new ATOM 0 HE3 LYS A 133 20.385 2.643 15.007 1.00 10.32 H new ATOM 0 HZ1 LYS A 133 21.208 2.185 17.209 1.00 2.21 H new ATOM 0 HZ2 LYS A 133 20.908 3.846 17.033 1.00 2.21 H new ATOM 0 HZ3 LYS A 133 19.826 2.877 17.911 1.00 2.21 H new ATOM 1470 N GLU A 134 15.029 4.185 15.783 1.00 22.43 N ATOM 1471 CA GLU A 134 14.267 5.368 15.554 1.00 13.22 C ATOM 1472 C GLU A 134 15.187 6.402 14.885 1.00 64.44 C ATOM 1473 O GLU A 134 16.093 6.966 15.508 1.00 75.40 O ATOM 1474 CB GLU A 134 13.598 5.901 16.867 1.00 10.21 C ATOM 1475 CG GLU A 134 14.514 6.213 18.054 1.00 31.13 C ATOM 1476 CD GLU A 134 15.158 5.005 18.680 1.00 55.31 C ATOM 1477 OE1 GLU A 134 16.236 4.573 18.205 1.00 54.14 O ATOM 1478 OE2 GLU A 134 14.620 4.471 19.660 1.00 21.43 O ATOM 0 H GLU A 134 15.637 4.221 16.601 1.00 22.43 H new ATOM 0 HA GLU A 134 13.432 5.152 14.888 1.00 13.22 H new ATOM 0 HB2 GLU A 134 13.048 6.809 16.619 1.00 10.21 H new ATOM 0 HB3 GLU A 134 12.865 5.164 17.193 1.00 10.21 H new ATOM 0 HG2 GLU A 134 15.297 6.896 17.723 1.00 31.13 H new ATOM 0 HG3 GLU A 134 13.936 6.736 18.815 1.00 31.13 H new ATOM 1485 N GLY A 135 14.992 6.589 13.611 1.00 0.55 N ATOM 1486 CA GLY A 135 15.836 7.468 12.845 1.00 5.25 C ATOM 1487 C GLY A 135 15.083 8.079 11.705 1.00 23.43 C ATOM 1488 O GLY A 135 13.875 7.898 11.603 1.00 54.25 O ATOM 0 H GLY A 135 14.249 6.141 13.074 1.00 0.55 H new ATOM 0 HA2 GLY A 135 16.227 8.255 13.490 1.00 5.25 H new ATOM 0 HA3 GLY A 135 16.693 6.913 12.463 1.00 5.25 H new ATOM 1492 N GLY A 136 15.773 8.799 10.853 1.00 32.32 N ATOM 1493 CA GLY A 136 15.145 9.361 9.693 1.00 42.13 C ATOM 1494 C GLY A 136 15.518 8.529 8.507 1.00 62.11 C ATOM 1495 O GLY A 136 16.705 8.319 8.252 1.00 14.33 O ATOM 0 H GLY A 136 16.767 9.006 10.945 1.00 32.32 H new ATOM 0 HA2 GLY A 136 14.062 9.379 9.819 1.00 42.13 H new ATOM 0 HA3 GLY A 136 15.467 10.393 9.549 1.00 42.13 H new ATOM 1499 N SER A 137 14.522 8.101 7.773 1.00 25.31 N ATOM 1500 CA SER A 137 14.614 7.129 6.689 1.00 3.53 C ATOM 1501 C SER A 137 13.211 6.929 6.132 1.00 73.34 C ATOM 1502 O SER A 137 12.287 7.637 6.546 1.00 1.43 O ATOM 1503 CB SER A 137 15.186 5.783 7.201 1.00 52.34 C ATOM 1504 OG SER A 137 16.576 5.857 7.465 1.00 73.24 O ATOM 0 H SER A 137 13.568 8.434 7.916 1.00 25.31 H new ATOM 0 HA SER A 137 15.288 7.494 5.914 1.00 3.53 H new ATOM 0 HB2 SER A 137 14.661 5.489 8.110 1.00 52.34 H new ATOM 0 HB3 SER A 137 15.000 5.006 6.460 1.00 52.34 H new ATOM 0 HG SER A 137 16.838 6.794 7.579 1.00 73.24 H new ATOM 1510 N ASP A 138 13.043 6.058 5.172 1.00 12.05 N ATOM 1511 CA ASP A 138 11.705 5.749 4.711 1.00 3.42 C ATOM 1512 C ASP A 138 11.056 4.681 5.588 1.00 70.24 C ATOM 1513 O ASP A 138 10.204 4.998 6.424 1.00 30.41 O ATOM 1514 CB ASP A 138 11.629 5.408 3.192 1.00 15.13 C ATOM 1515 CG ASP A 138 12.627 4.382 2.712 1.00 41.11 C ATOM 1516 OD1 ASP A 138 13.734 4.778 2.293 1.00 52.15 O ATOM 1517 OD2 ASP A 138 12.322 3.187 2.710 1.00 73.51 O ATOM 0 H ASP A 138 13.795 5.556 4.699 1.00 12.05 H new ATOM 0 HA ASP A 138 11.121 6.663 4.817 1.00 3.42 H new ATOM 0 HB2 ASP A 138 10.625 5.048 2.967 1.00 15.13 H new ATOM 0 HB3 ASP A 138 11.774 6.326 2.622 1.00 15.13 H new ATOM 1522 N ASN A 139 11.499 3.456 5.457 1.00 71.21 N ATOM 1523 CA ASN A 139 10.919 2.338 6.197 1.00 61.10 C ATOM 1524 C ASN A 139 11.714 2.036 7.479 1.00 24.41 C ATOM 1525 O ASN A 139 11.244 1.327 8.361 1.00 13.31 O ATOM 1526 CB ASN A 139 10.851 1.081 5.297 1.00 40.53 C ATOM 1527 CG ASN A 139 12.198 0.406 5.089 1.00 72.52 C ATOM 1528 OD1 ASN A 139 12.451 -0.608 5.846 1.00 35.04 O flip ATOM 1529 ND2 ASN A 139 12.978 0.768 4.210 1.00 41.21 N flip ATOM 0 H ASN A 139 12.268 3.195 4.840 1.00 71.21 H new ATOM 0 HA ASN A 139 9.909 2.621 6.493 1.00 61.10 H new ATOM 0 HB2 ASN A 139 10.160 0.364 5.740 1.00 40.53 H new ATOM 0 HB3 ASN A 139 10.441 1.361 4.327 1.00 40.53 H new ATOM 0 HD21 ASN A 139 12.751 1.573 3.627 1.00 41.21 H new ATOM 0 HD22 ASN A 139 13.852 0.263 4.064 1.00 41.21 H new ATOM 1536 N ASP A 140 12.912 2.577 7.580 1.00 4.25 N ATOM 1537 CA ASP A 140 13.766 2.333 8.760 1.00 21.34 C ATOM 1538 C ASP A 140 13.641 3.481 9.750 1.00 12.22 C ATOM 1539 O ASP A 140 14.332 3.530 10.761 1.00 22.42 O ATOM 1540 CB ASP A 140 15.251 2.154 8.368 1.00 71.33 C ATOM 1541 CG ASP A 140 15.515 0.984 7.439 1.00 61.10 C ATOM 1542 OD1 ASP A 140 15.508 -0.179 7.891 1.00 21.43 O ATOM 1543 OD2 ASP A 140 15.761 1.216 6.218 1.00 61.25 O ATOM 0 H ASP A 140 13.327 3.185 6.874 1.00 4.25 H new ATOM 0 HA ASP A 140 13.421 1.408 9.222 1.00 21.34 H new ATOM 0 HB2 ASP A 140 15.601 3.069 7.890 1.00 71.33 H new ATOM 0 HB3 ASP A 140 15.841 2.023 9.275 1.00 71.33 H new ATOM 1548 N ALA A 141 12.747 4.388 9.446 1.00 61.11 N ATOM 1549 CA ALA A 141 12.515 5.588 10.240 1.00 42.01 C ATOM 1550 C ALA A 141 11.513 5.372 11.328 1.00 74.01 C ATOM 1551 O ALA A 141 10.670 4.483 11.230 1.00 32.41 O ATOM 1552 CB ALA A 141 11.996 6.691 9.370 1.00 14.43 C ATOM 0 H ALA A 141 12.144 4.320 8.626 1.00 61.11 H new ATOM 0 HA ALA A 141 13.475 5.847 10.686 1.00 42.01 H new ATOM 0 HB1 ALA A 141 11.827 7.582 9.974 1.00 14.43 H new ATOM 0 HB2 ALA A 141 12.725 6.914 8.591 1.00 14.43 H new ATOM 0 HB3 ALA A 141 11.058 6.381 8.910 1.00 14.43 H new ATOM 1558 N ASP A 142 11.580 6.203 12.356 1.00 74.13 N ATOM 1559 CA ASP A 142 10.573 6.175 13.374 1.00 30.44 C ATOM 1560 C ASP A 142 9.390 6.910 12.821 1.00 23.13 C ATOM 1561 O ASP A 142 9.453 8.111 12.510 1.00 4.42 O ATOM 1562 CB ASP A 142 11.037 6.750 14.750 1.00 4.42 C ATOM 1563 CG ASP A 142 11.464 8.225 14.796 1.00 45.41 C ATOM 1564 OD1 ASP A 142 12.461 8.600 14.150 1.00 51.32 O ATOM 1565 OD2 ASP A 142 10.881 9.009 15.575 1.00 14.14 O ATOM 0 H ASP A 142 12.317 6.894 12.496 1.00 74.13 H new ATOM 0 HA ASP A 142 10.325 5.140 13.608 1.00 30.44 H new ATOM 0 HB2 ASP A 142 10.224 6.613 15.463 1.00 4.42 H new ATOM 0 HB3 ASP A 142 11.874 6.147 15.101 1.00 4.42 H new ATOM 1570 N ILE A 143 8.348 6.179 12.603 1.00 21.50 N ATOM 1571 CA ILE A 143 7.206 6.709 11.952 1.00 31.40 C ATOM 1572 C ILE A 143 6.172 7.159 12.939 1.00 53.33 C ATOM 1573 O ILE A 143 5.712 6.398 13.768 1.00 24.41 O ATOM 1574 CB ILE A 143 6.654 5.763 10.811 1.00 21.10 C ATOM 1575 CG1 ILE A 143 6.442 4.284 11.249 1.00 63.22 C ATOM 1576 CG2 ILE A 143 7.584 5.801 9.619 1.00 4.25 C ATOM 1577 CD1 ILE A 143 5.204 4.011 12.071 1.00 13.02 C ATOM 0 H ILE A 143 8.268 5.198 12.872 1.00 21.50 H new ATOM 0 HA ILE A 143 7.518 7.608 11.421 1.00 31.40 H new ATOM 0 HB ILE A 143 5.668 6.152 10.556 1.00 21.10 H new ATOM 0 HG12 ILE A 143 6.405 3.662 10.355 1.00 63.22 H new ATOM 0 HG13 ILE A 143 7.313 3.967 11.823 1.00 63.22 H new ATOM 0 HG21 ILE A 143 7.199 5.148 8.836 1.00 4.25 H new ATOM 0 HG22 ILE A 143 7.649 6.821 9.241 1.00 4.25 H new ATOM 0 HG23 ILE A 143 8.575 5.462 9.920 1.00 4.25 H new ATOM 0 HD11 ILE A 143 5.159 2.951 12.319 1.00 13.02 H new ATOM 0 HD12 ILE A 143 5.240 4.597 12.989 1.00 13.02 H new ATOM 0 HD13 ILE A 143 4.319 4.288 11.498 1.00 13.02 H new ATOM 1589 N GLY A 144 5.867 8.413 12.903 1.00 1.41 N ATOM 1590 CA GLY A 144 4.945 8.933 13.835 1.00 31.21 C ATOM 1591 C GLY A 144 4.524 10.319 13.517 1.00 62.11 C ATOM 1592 O GLY A 144 4.961 10.911 12.515 1.00 20.11 O ATOM 0 H GLY A 144 6.245 9.088 12.238 1.00 1.41 H new ATOM 0 HA2 GLY A 144 4.066 8.290 13.867 1.00 31.21 H new ATOM 0 HA3 GLY A 144 5.391 8.913 14.830 1.00 31.21 H new ATOM 1596 N ASN A 145 3.692 10.836 14.357 1.00 33.41 N ATOM 1597 CA ASN A 145 3.140 12.149 14.218 1.00 52.33 C ATOM 1598 C ASN A 145 2.831 12.639 15.597 1.00 44.31 C ATOM 1599 O ASN A 145 2.562 11.827 16.499 1.00 53.03 O ATOM 1600 CB ASN A 145 1.888 12.184 13.290 1.00 65.13 C ATOM 1601 CG ASN A 145 0.581 11.574 13.838 1.00 61.33 C ATOM 1602 OD1 ASN A 145 -0.495 11.989 13.445 1.00 70.53 O ATOM 1603 ND2 ASN A 145 0.651 10.623 14.738 1.00 2.24 N ATOM 0 H ASN A 145 3.364 10.343 15.188 1.00 33.41 H new ATOM 0 HA ASN A 145 3.861 12.804 13.729 1.00 52.33 H new ATOM 0 HB2 ASN A 145 1.691 13.224 13.029 1.00 65.13 H new ATOM 0 HB3 ASN A 145 2.140 11.666 12.365 1.00 65.13 H new ATOM 0 HD21 ASN A 145 -0.204 10.219 15.120 1.00 2.24 H new ATOM 0 HD22 ASN A 145 1.560 10.287 15.056 1.00 2.24 H new ATOM 1610 N TRP A 146 2.912 13.909 15.785 1.00 44.32 N ATOM 1611 CA TRP A 146 2.762 14.501 17.084 1.00 33.10 C ATOM 1612 C TRP A 146 2.667 15.980 16.966 1.00 73.31 C ATOM 1613 O TRP A 146 2.749 16.548 15.861 1.00 45.13 O ATOM 1614 CB TRP A 146 3.951 14.144 17.999 1.00 51.03 C ATOM 1615 CG TRP A 146 5.303 14.429 17.400 1.00 22.01 C ATOM 1616 CD1 TRP A 146 5.862 15.646 17.122 1.00 0.41 C ATOM 1617 CD2 TRP A 146 6.261 13.460 17.030 1.00 14.45 C ATOM 1618 NE1 TRP A 146 7.092 15.473 16.558 1.00 53.35 N ATOM 1619 CE2 TRP A 146 7.366 14.138 16.499 1.00 70.20 C ATOM 1620 CE3 TRP A 146 6.283 12.079 17.086 1.00 34.54 C ATOM 1621 CZ2 TRP A 146 8.486 13.472 16.027 1.00 34.31 C ATOM 1622 CZ3 TRP A 146 7.393 11.418 16.625 1.00 15.22 C ATOM 1623 CH2 TRP A 146 8.478 12.112 16.100 1.00 3.33 C ATOM 0 H TRP A 146 3.086 14.581 15.038 1.00 44.32 H new ATOM 0 HA TRP A 146 1.847 14.105 17.525 1.00 33.10 H new ATOM 0 HB2 TRP A 146 3.856 14.700 18.932 1.00 51.03 H new ATOM 0 HB3 TRP A 146 3.895 13.085 18.251 1.00 51.03 H new ATOM 0 HD1 TRP A 146 5.399 16.601 17.320 1.00 0.41 H new ATOM 0 HE1 TRP A 146 7.706 16.220 16.233 1.00 53.35 H new ATOM 0 HE3 TRP A 146 5.442 11.531 17.485 1.00 34.54 H new ATOM 0 HZ2 TRP A 146 9.329 14.009 15.619 1.00 34.31 H new ATOM 0 HZ3 TRP A 146 7.425 10.339 16.671 1.00 15.22 H new ATOM 0 HH2 TRP A 146 9.334 11.560 15.742 1.00 3.33 H new ATOM 1634 N ASP A 147 2.498 16.604 18.070 1.00 54.50 N ATOM 1635 CA ASP A 147 2.525 18.014 18.124 1.00 31.20 C ATOM 1636 C ASP A 147 3.664 18.383 19.018 1.00 44.25 C ATOM 1637 O ASP A 147 3.883 17.711 20.053 1.00 52.35 O ATOM 1638 CB ASP A 147 1.203 18.608 18.594 1.00 15.44 C ATOM 1639 CG ASP A 147 1.179 20.103 18.414 1.00 63.52 C ATOM 1640 OD1 ASP A 147 1.357 20.571 17.268 1.00 41.03 O ATOM 1641 OD2 ASP A 147 0.966 20.831 19.386 1.00 60.43 O ATOM 0 H ASP A 147 2.336 16.147 18.968 1.00 54.50 H new ATOM 0 HA ASP A 147 2.668 18.430 17.127 1.00 31.20 H new ATOM 0 HB2 ASP A 147 0.381 18.159 18.036 1.00 15.44 H new ATOM 0 HB3 ASP A 147 1.045 18.364 19.644 1.00 15.44 H new ATOM 1646 N ASN A 148 4.411 19.373 18.604 1.00 2.14 N ATOM 1647 CA ASN A 148 5.619 19.799 19.270 1.00 65.22 C ATOM 1648 C ASN A 148 5.650 21.309 19.315 1.00 41.11 C ATOM 1649 O ASN A 148 4.639 21.936 18.923 1.00 44.31 O ATOM 1650 CB ASN A 148 6.864 19.262 18.515 1.00 10.44 C ATOM 1651 CG ASN A 148 6.956 19.743 17.068 1.00 61.52 C ATOM 1652 OD1 ASN A 148 6.421 19.107 16.154 1.00 32.24 O ATOM 1653 ND2 ASN A 148 7.653 20.828 16.841 1.00 11.32 N ATOM 1654 OXT ASN A 148 6.668 21.887 19.740 1.00 0.00 O ATOM 0 H ASN A 148 4.192 19.921 17.772 1.00 2.14 H new ATOM 0 HA ASN A 148 5.634 19.403 20.285 1.00 65.22 H new ATOM 0 HB2 ASN A 148 7.763 19.569 19.049 1.00 10.44 H new ATOM 0 HB3 ASN A 148 6.843 18.172 18.526 1.00 10.44 H new ATOM 0 HD21 ASN A 148 7.767 21.171 15.887 1.00 11.32 H new ATOM 0 HD22 ASN A 148 8.082 21.330 17.618 1.00 11.32 H new