USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1230 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 33 ASN : amide:sc= -3.24! C(o=-4.5!,f=-2.1!) USER MOD Set 1.2: A 84 ASN : amide:sc= -1.31 K(o=-4.5,f=-2.1) USER MOD Single : A 1 ASN : amide:sc= -0.0796 K(o=-0.08,f=-5.5!) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0.642 (180deg=0.367) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -7.27! C(o=-7.3!,f=-9.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.109 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.469) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000611) USER MOD Single : A 18 THR OG1 : rot -79:sc= 0.769 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0.344 (180deg=0.336) USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.08 USER MOD Single : A 34 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 38 THR OG1 : rot 19:sc= 0.947 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0535 (180deg=-0.321) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0339 (180deg=-0.238) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 1:sc= 1.29 USER MOD Single : A 59 GLN : amide:sc= -5.71! C(o=-5.7!,f=-14!) USER MOD Single : A 63 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-5!) USER MOD Single : A 64 THR OG1 : rot 47:sc= 0.0644 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 93 ASN : amide:sc= 1.09 K(o=1.1,f=-0.043) USER MOD Single : A 94 SER OG : rot 180:sc= 0.386 USER MOD Single : A 95 SER OG : rot -52:sc= -0.361 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 163:sc= -0.0109 (180deg=-0.233) USER MOD Single : A 109 THR OG1 : rot -5:sc= 0.62 USER MOD Single : A 115 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-11!) USER MOD Single : A 116 THR OG1 : rot 165:sc= -0.935 USER MOD Single : A 117 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.0021) USER MOD Single : A 121 MET CE :methyl 168:sc= -0.0345 (180deg=-0.291) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-2.3) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -3.44! C(o=-3.4!,f=-6.9!) USER MOD Single : A 133 MET CE :methyl -129:sc= -1.77 (180deg=-4.84!) USER MOD Single : A 135 LYS NZ :NH3+ 170:sc=-0.00852 (180deg=-0.122) USER MOD Single : A 139 THR OG1 : rot 138:sc= 1.21 USER MOD Single : A 142 GLN : amide:sc= -5.66! K(o=-5.7!,f=-0.4) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.81) USER MOD Single : A 147 LYS NZ :NH3+ -147:sc= 0.801 (180deg=0.589) USER MOD Single : A 154 LYS NZ :NH3+ 143:sc= 0.139 (180deg=-0.561) USER MOD Single : A 155 LYS NZ :NH3+ 166:sc= -0.0279 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.620 12.984 -8.349 1.00 1.65 N ATOM 2 CA ASN A 1 6.149 13.221 -6.962 1.00 1.32 C ATOM 3 C ASN A 1 7.042 12.491 -5.952 1.00 1.24 C ATOM 4 O ASN A 1 6.977 11.271 -5.810 1.00 1.61 O ATOM 5 CB ASN A 1 4.668 12.806 -6.810 1.00 1.23 C ATOM 6 CG ASN A 1 4.400 11.340 -7.126 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.116 10.712 -7.903 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.339 10.795 -6.556 1.00 1.42 N ATOM 0 H1 ASN A 1 6.257 13.733 -8.972 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.660 12.991 -8.369 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.274 12.061 -8.680 1.00 1.65 H new ATOM 0 HA ASN A 1 6.218 14.288 -6.752 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.347 13.012 -5.789 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.058 13.426 -7.467 1.00 1.23 H new ATOM 0 HD21 ASN A 1 3.094 9.825 -6.757 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.766 11.344 -5.916 1.00 1.42 H new ATOM 17 N TYR A 2 7.902 13.249 -5.273 1.00 1.16 N ATOM 18 CA TYR A 2 8.808 12.686 -4.270 1.00 1.12 C ATOM 19 C TYR A 2 9.466 13.796 -3.456 1.00 1.22 C ATOM 20 O TYR A 2 9.556 13.707 -2.233 1.00 1.20 O ATOM 21 CB TYR A 2 9.885 11.797 -4.929 1.00 1.31 C ATOM 22 CG TYR A 2 10.910 12.545 -5.761 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.131 12.931 -5.225 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.647 12.866 -7.089 1.00 1.84 C ATOM 25 CE1 TYR A 2 13.064 13.607 -5.988 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.573 13.540 -7.857 1.00 2.43 C ATOM 27 CZ TYR A 2 12.797 13.923 -7.272 1.00 2.97 C ATOM 28 OH TYR A 2 13.707 14.578 -8.073 1.00 3.73 O ATOM 0 H TYR A 2 7.991 14.257 -5.399 1.00 1.16 H new ATOM 0 HA TYR A 2 8.216 12.064 -3.599 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.406 11.244 -4.148 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.390 11.062 -5.564 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.356 12.699 -4.194 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.701 12.582 -7.526 1.00 1.84 H new ATOM 0 HE1 TYR A 2 14.013 13.884 -5.554 1.00 2.90 H new ATOM 0 HE2 TYR A 2 11.364 13.771 -8.891 1.00 2.43 H new ATOM 0 HH TYR A 2 13.322 14.711 -8.964 1.00 3.73 H new ATOM 38 N ASP A 3 9.896 14.858 -4.134 1.00 1.44 N ATOM 39 CA ASP A 3 10.671 15.910 -3.483 1.00 1.65 C ATOM 40 C ASP A 3 9.797 16.764 -2.565 1.00 1.53 C ATOM 41 O ASP A 3 10.075 16.850 -1.371 1.00 1.62 O ATOM 42 CB ASP A 3 11.405 16.778 -4.512 1.00 1.99 C ATOM 43 CG ASP A 3 12.317 17.797 -3.861 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.492 17.467 -3.597 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.869 18.940 -3.623 1.00 2.63 O ATOM 0 H ASP A 3 9.722 15.012 -5.127 1.00 1.44 H new ATOM 0 HA ASP A 3 11.422 15.423 -2.861 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.992 16.138 -5.171 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.675 17.294 -5.136 1.00 1.99 H new ATOM 50 N PRO A 4 8.734 17.414 -3.081 1.00 1.46 N ATOM 51 CA PRO A 4 7.801 18.132 -2.224 1.00 1.45 C ATOM 52 C PRO A 4 6.908 17.157 -1.467 1.00 1.27 C ATOM 53 O PRO A 4 6.965 17.069 -0.240 1.00 1.34 O ATOM 54 CB PRO A 4 6.992 18.988 -3.200 1.00 1.61 C ATOM 55 CG PRO A 4 7.053 18.257 -4.496 1.00 1.63 C ATOM 56 CD PRO A 4 8.362 17.517 -4.507 1.00 1.52 C ATOM 0 HA PRO A 4 8.297 18.732 -1.461 1.00 1.45 H new ATOM 0 HB2 PRO A 4 5.963 19.106 -2.862 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.414 19.989 -3.291 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.216 17.566 -4.591 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.992 18.950 -5.335 1.00 1.63 H new ATOM 0 HD2 PRO A 4 8.259 16.533 -4.963 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.119 18.055 -5.078 1.00 1.52 H new ATOM 64 N PHE A 5 6.085 16.429 -2.208 1.00 1.17 N ATOM 65 CA PHE A 5 5.279 15.367 -1.644 1.00 1.11 C ATOM 66 C PHE A 5 4.942 14.340 -2.715 1.00 0.94 C ATOM 67 O PHE A 5 4.815 14.677 -3.893 1.00 1.01 O ATOM 68 CB PHE A 5 3.988 15.930 -1.027 1.00 1.40 C ATOM 69 CG PHE A 5 3.105 16.656 -2.005 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.260 18.018 -2.226 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.118 15.977 -2.702 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.449 18.682 -3.124 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.306 16.638 -3.601 1.00 3.21 C ATOM 74 CZ PHE A 5 1.470 17.992 -3.813 1.00 3.19 C ATOM 0 H PHE A 5 5.961 16.560 -3.212 1.00 1.17 H new ATOM 0 HA PHE A 5 5.854 14.883 -0.855 1.00 1.11 H new ATOM 0 HB2 PHE A 5 3.423 15.110 -0.583 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.252 16.611 -0.218 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.023 18.563 -1.690 1.00 1.75 H new ATOM 0 HD2 PHE A 5 1.983 14.918 -2.540 1.00 2.34 H new ATOM 0 HE1 PHE A 5 2.580 19.741 -3.288 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.542 16.096 -4.139 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.835 18.511 -4.516 1.00 3.19 H new ATOM 84 N VAL A 6 4.839 13.092 -2.310 1.00 0.85 N ATOM 85 CA VAL A 6 4.209 12.080 -3.129 1.00 0.79 C ATOM 86 C VAL A 6 2.898 11.693 -2.463 1.00 0.69 C ATOM 87 O VAL A 6 2.876 11.179 -1.342 1.00 0.77 O ATOM 88 CB VAL A 6 5.110 10.837 -3.379 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.202 10.723 -2.334 1.00 1.44 C ATOM 90 CG2 VAL A 6 4.285 9.557 -3.427 1.00 1.41 C ATOM 0 H VAL A 6 5.186 12.753 -1.413 1.00 0.85 H new ATOM 0 HA VAL A 6 4.030 12.496 -4.120 1.00 0.79 H new ATOM 0 HB VAL A 6 5.585 10.975 -4.350 1.00 0.92 H new ATOM 0 HG11 VAL A 6 6.812 9.844 -2.540 1.00 1.44 H new ATOM 0 HG12 VAL A 6 6.829 11.614 -2.364 1.00 1.44 H new ATOM 0 HG13 VAL A 6 5.752 10.629 -1.346 1.00 1.44 H new ATOM 0 HG21 VAL A 6 4.943 8.706 -3.603 1.00 1.41 H new ATOM 0 HG22 VAL A 6 3.765 9.423 -2.478 1.00 1.41 H new ATOM 0 HG23 VAL A 6 3.555 9.624 -4.234 1.00 1.41 H new ATOM 100 N ARG A 7 1.808 11.996 -3.131 1.00 0.64 N ATOM 101 CA ARG A 7 0.492 11.811 -2.557 1.00 0.56 C ATOM 102 C ARG A 7 -0.274 10.721 -3.279 1.00 0.54 C ATOM 103 O ARG A 7 -0.223 10.618 -4.505 1.00 0.64 O ATOM 104 CB ARG A 7 -0.278 13.132 -2.612 1.00 0.57 C ATOM 105 CG ARG A 7 -1.759 13.012 -2.279 1.00 0.57 C ATOM 106 CD ARG A 7 -2.383 14.378 -2.057 1.00 0.71 C ATOM 107 NE ARG A 7 -2.093 14.879 -0.715 1.00 1.61 N ATOM 108 CZ ARG A 7 -1.504 16.042 -0.443 1.00 2.25 C ATOM 109 NH1 ARG A 7 -1.175 16.879 -1.418 1.00 2.26 N ATOM 110 NH2 ARG A 7 -1.265 16.377 0.819 1.00 3.37 N ATOM 0 H ARG A 7 1.806 12.374 -4.078 1.00 0.64 H new ATOM 0 HA ARG A 7 0.606 11.500 -1.518 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.182 13.836 -1.918 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -0.176 13.556 -3.611 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.277 12.500 -3.090 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.885 12.402 -1.385 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.003 15.079 -2.800 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -3.462 14.316 -2.200 1.00 0.71 H new ATOM 0 HE ARG A 7 -2.363 14.292 0.075 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -1.373 16.635 -2.388 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -0.724 17.767 -1.197 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -1.532 15.745 1.574 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -0.814 17.266 1.034 1.00 3.37 H new ATOM 124 N HIS A 8 -0.972 9.895 -2.516 1.00 0.47 N ATOM 125 CA HIS A 8 -1.865 8.920 -3.116 1.00 0.46 C ATOM 126 C HIS A 8 -3.294 9.332 -2.833 1.00 0.39 C ATOM 127 O HIS A 8 -3.626 9.728 -1.720 1.00 0.39 O ATOM 128 CB HIS A 8 -1.510 7.481 -2.640 1.00 0.56 C ATOM 129 CG HIS A 8 -2.519 6.718 -1.802 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.737 5.360 -1.956 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.281 7.082 -0.741 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.579 4.935 -1.026 1.00 0.41 C ATOM 133 NE2 HIS A 8 -3.918 5.959 -0.281 1.00 0.76 N ATOM 0 H HIS A 8 -0.939 9.880 -1.497 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.744 8.897 -4.199 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -1.298 6.883 -3.526 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.584 7.542 -2.068 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.314 4.775 -2.676 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -3.370 8.078 -0.332 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.926 3.920 -0.903 1.00 0.41 H new ATOM 142 N SER A 9 -4.120 9.289 -3.851 1.00 0.42 N ATOM 143 CA SER A 9 -5.507 9.663 -3.715 1.00 0.40 C ATOM 144 C SER A 9 -6.373 8.742 -4.544 1.00 0.41 C ATOM 145 O SER A 9 -6.280 8.721 -5.769 1.00 0.53 O ATOM 146 CB SER A 9 -5.717 11.120 -4.133 1.00 0.52 C ATOM 147 OG SER A 9 -5.017 11.998 -3.269 1.00 1.28 O ATOM 0 H SER A 9 -3.852 8.996 -4.791 1.00 0.42 H new ATOM 0 HA SER A 9 -5.794 9.567 -2.668 1.00 0.40 H new ATOM 0 HB2 SER A 9 -5.374 11.262 -5.158 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.781 11.358 -4.117 1.00 0.52 H new ATOM 0 HG SER A 9 -5.163 12.924 -3.555 1.00 1.28 H new ATOM 153 N VAL A 10 -7.192 7.957 -3.874 1.00 0.35 N ATOM 154 CA VAL A 10 -8.061 7.024 -4.581 1.00 0.36 C ATOM 155 C VAL A 10 -9.510 7.286 -4.215 1.00 0.32 C ATOM 156 O VAL A 10 -9.813 7.657 -3.080 1.00 0.32 O ATOM 157 CB VAL A 10 -7.712 5.533 -4.303 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.207 5.321 -4.249 1.00 1.27 C ATOM 159 CG2 VAL A 10 -8.387 5.019 -3.039 1.00 1.18 C ATOM 0 H VAL A 10 -7.278 7.941 -2.858 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.903 7.195 -5.646 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.103 4.949 -5.137 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -5.994 4.270 -4.053 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -5.765 5.609 -5.202 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.782 5.932 -3.452 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -8.117 3.975 -2.881 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -8.059 5.611 -2.185 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -9.469 5.102 -3.145 1.00 1.18 H new ATOM 169 N THR A 11 -10.389 7.133 -5.186 1.00 0.35 N ATOM 170 CA THR A 11 -11.807 7.265 -4.947 1.00 0.34 C ATOM 171 C THR A 11 -12.438 5.892 -4.763 1.00 0.33 C ATOM 172 O THR A 11 -12.452 5.064 -5.675 1.00 0.43 O ATOM 173 CB THR A 11 -12.495 8.001 -6.112 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.787 9.212 -6.398 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.942 8.325 -5.776 1.00 0.51 C ATOM 0 H THR A 11 -10.141 6.916 -6.151 1.00 0.35 H new ATOM 0 HA THR A 11 -11.944 7.850 -4.038 1.00 0.34 H new ATOM 0 HB THR A 11 -12.483 7.349 -6.985 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.224 9.679 -7.140 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.403 8.844 -6.616 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.485 7.401 -5.578 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.976 8.962 -4.892 1.00 0.51 H new ATOM 183 N VAL A 12 -12.953 5.658 -3.574 1.00 0.29 N ATOM 184 CA VAL A 12 -13.596 4.405 -3.243 1.00 0.35 C ATOM 185 C VAL A 12 -15.110 4.579 -3.253 1.00 0.32 C ATOM 186 O VAL A 12 -15.633 5.545 -2.698 1.00 0.36 O ATOM 187 CB VAL A 12 -13.114 3.909 -1.863 1.00 0.43 C ATOM 188 CG1 VAL A 12 -14.010 2.811 -1.315 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.672 3.431 -1.964 1.00 0.81 C ATOM 0 H VAL A 12 -12.937 6.333 -2.809 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.328 3.658 -3.990 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.167 4.743 -1.164 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.637 2.489 -0.343 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -15.026 3.191 -1.207 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -14.010 1.965 -2.002 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.335 3.082 -0.988 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.609 2.614 -2.683 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -11.038 4.254 -2.293 1.00 0.81 H new ATOM 199 N LYS A 13 -15.806 3.646 -3.885 1.00 0.34 N ATOM 200 CA LYS A 13 -17.247 3.762 -4.078 1.00 0.38 C ATOM 201 C LYS A 13 -18.020 2.784 -3.196 1.00 0.31 C ATOM 202 O LYS A 13 -19.118 2.354 -3.553 1.00 0.37 O ATOM 203 CB LYS A 13 -17.621 3.553 -5.556 1.00 0.58 C ATOM 204 CG LYS A 13 -17.003 2.317 -6.208 1.00 0.68 C ATOM 205 CD LYS A 13 -15.577 2.567 -6.683 1.00 0.97 C ATOM 206 CE LYS A 13 -15.501 3.733 -7.662 1.00 0.88 C ATOM 207 NZ LYS A 13 -16.460 3.588 -8.789 1.00 0.98 N ATOM 0 H LYS A 13 -15.396 2.797 -4.275 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.529 4.772 -3.782 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.706 3.483 -5.635 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.317 4.434 -6.121 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -17.007 1.492 -5.495 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.617 2.010 -7.054 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.939 2.772 -5.824 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -15.190 1.667 -7.160 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.705 4.663 -7.132 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.488 3.807 -8.057 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -16.226 4.274 -9.534 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -16.399 2.624 -9.175 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -17.426 3.764 -8.447 1.00 0.98 H new ATOM 221 N ALA A 14 -17.466 2.458 -2.033 1.00 0.29 N ATOM 222 CA ALA A 14 -18.158 1.595 -1.077 1.00 0.30 C ATOM 223 C ALA A 14 -17.684 1.858 0.346 1.00 0.28 C ATOM 224 O ALA A 14 -17.595 0.941 1.165 1.00 0.31 O ATOM 225 CB ALA A 14 -17.967 0.134 -1.451 1.00 0.36 C ATOM 0 H ALA A 14 -16.545 2.775 -1.729 1.00 0.29 H new ATOM 0 HA ALA A 14 -19.222 1.827 -1.117 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.488 -0.497 -0.731 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -18.372 -0.042 -2.447 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.904 -0.108 -1.443 1.00 0.36 H new ATOM 231 N ASP A 15 -17.383 3.121 0.617 1.00 0.28 N ATOM 232 CA ASP A 15 -17.084 3.608 1.967 1.00 0.31 C ATOM 233 C ASP A 15 -15.689 3.194 2.450 1.00 0.28 C ATOM 234 O ASP A 15 -14.977 2.405 1.810 1.00 0.29 O ATOM 235 CB ASP A 15 -18.157 3.150 2.969 1.00 0.39 C ATOM 236 CG ASP A 15 -18.332 4.110 4.133 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.476 4.123 5.043 1.00 0.91 O ATOM 238 OD2 ASP A 15 -19.335 4.851 4.143 1.00 0.76 O ATOM 0 H ASP A 15 -17.338 3.847 -0.098 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.094 4.697 1.912 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.109 3.041 2.449 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -17.890 2.166 3.354 1.00 0.39 H new ATOM 243 N ARG A 16 -15.324 3.730 3.604 1.00 0.28 N ATOM 244 CA ARG A 16 -13.977 3.615 4.136 1.00 0.27 C ATOM 245 C ARG A 16 -13.708 2.200 4.615 1.00 0.28 C ATOM 246 O ARG A 16 -12.559 1.757 4.664 1.00 0.28 O ATOM 247 CB ARG A 16 -13.796 4.622 5.278 1.00 0.29 C ATOM 248 CG ARG A 16 -12.356 5.016 5.523 1.00 0.28 C ATOM 249 CD ARG A 16 -12.257 6.357 6.240 1.00 0.40 C ATOM 250 NE ARG A 16 -12.922 6.350 7.537 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.731 7.282 8.468 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.969 8.338 8.215 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.302 7.157 9.657 1.00 1.88 N ATOM 0 H ARG A 16 -15.959 4.260 4.201 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.259 3.838 3.347 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.375 5.518 5.055 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.207 4.197 6.193 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -11.864 4.247 6.118 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.826 5.071 4.572 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.207 6.615 6.376 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.698 7.133 5.614 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.569 5.589 7.743 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.525 8.440 7.302 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.827 9.048 8.933 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -13.888 6.347 9.859 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.156 7.871 10.371 1.00 1.88 H new ATOM 267 N LYS A 17 -14.779 1.492 4.957 1.00 0.33 N ATOM 268 CA LYS A 17 -14.671 0.118 5.400 1.00 0.39 C ATOM 269 C LYS A 17 -14.067 -0.754 4.306 1.00 0.35 C ATOM 270 O LYS A 17 -13.128 -1.505 4.558 1.00 0.37 O ATOM 271 CB LYS A 17 -16.043 -0.423 5.806 1.00 0.53 C ATOM 272 CG LYS A 17 -15.961 -1.774 6.488 1.00 1.34 C ATOM 273 CD LYS A 17 -15.086 -1.695 7.727 1.00 1.70 C ATOM 274 CE LYS A 17 -14.766 -3.068 8.279 1.00 2.46 C ATOM 275 NZ LYS A 17 -15.983 -3.777 8.751 1.00 3.05 N ATOM 0 H LYS A 17 -15.732 1.854 4.934 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.013 0.091 6.268 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.526 0.289 6.476 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.673 -0.505 4.920 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.961 -2.110 6.763 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.556 -2.513 5.796 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -14.159 -1.176 7.484 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -15.591 -1.105 8.492 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -14.276 -3.663 7.508 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -14.060 -2.971 9.104 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -15.716 -4.705 9.136 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -16.447 -3.214 9.493 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -16.639 -3.908 7.955 1.00 3.05 H new ATOM 289 N THR A 18 -14.587 -0.634 3.087 1.00 0.35 N ATOM 290 CA THR A 18 -14.094 -1.439 1.980 1.00 0.36 C ATOM 291 C THR A 18 -12.703 -0.994 1.558 1.00 0.33 C ATOM 292 O THR A 18 -11.860 -1.828 1.227 1.00 0.37 O ATOM 293 CB THR A 18 -15.025 -1.386 0.757 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.263 -0.028 0.386 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.343 -2.084 1.047 1.00 0.80 C ATOM 0 H THR A 18 -15.342 0.007 2.845 1.00 0.35 H new ATOM 0 HA THR A 18 -14.060 -2.466 2.344 1.00 0.36 H new ATOM 0 HB THR A 18 -14.538 -1.906 -0.068 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.942 0.359 0.978 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.983 -2.033 0.166 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.154 -3.128 1.298 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.838 -1.593 1.885 1.00 0.80 H new ATOM 303 N ALA A 19 -12.460 0.319 1.569 1.00 0.29 N ATOM 304 CA ALA A 19 -11.138 0.836 1.229 1.00 0.29 C ATOM 305 C ALA A 19 -10.073 0.226 2.134 1.00 0.28 C ATOM 306 O ALA A 19 -9.041 -0.244 1.665 1.00 0.32 O ATOM 307 CB ALA A 19 -11.104 2.356 1.312 1.00 0.31 C ATOM 0 H ALA A 19 -13.151 1.031 1.806 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.922 0.551 0.199 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.107 2.712 1.054 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.831 2.775 0.616 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.350 2.671 2.326 1.00 0.31 H new ATOM 313 N PHE A 20 -10.350 0.204 3.430 1.00 0.25 N ATOM 314 CA PHE A 20 -9.427 -0.366 4.403 1.00 0.26 C ATOM 315 C PHE A 20 -9.388 -1.889 4.289 1.00 0.31 C ATOM 316 O PHE A 20 -8.309 -2.486 4.246 1.00 0.33 O ATOM 317 CB PHE A 20 -9.840 0.057 5.811 1.00 0.28 C ATOM 318 CG PHE A 20 -9.032 -0.571 6.912 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.824 -0.016 7.308 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.475 -1.722 7.541 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.076 -0.599 8.311 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.730 -2.309 8.546 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.550 -1.715 8.963 1.00 0.38 C ATOM 0 H PHE A 20 -11.210 0.576 3.834 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.424 0.009 4.198 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.758 1.141 5.890 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.890 -0.195 5.959 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.465 0.882 6.827 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.413 -2.166 7.243 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.119 -0.180 8.584 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.066 -3.227 9.005 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.003 -2.127 9.798 1.00 0.38 H new ATOM 333 N LYS A 21 -10.568 -2.509 4.237 1.00 0.35 N ATOM 334 CA LYS A 21 -10.679 -3.960 4.111 1.00 0.42 C ATOM 335 C LYS A 21 -9.858 -4.472 2.938 1.00 0.44 C ATOM 336 O LYS A 21 -9.128 -5.449 3.058 1.00 0.49 O ATOM 337 CB LYS A 21 -12.139 -4.377 3.920 1.00 0.49 C ATOM 338 CG LYS A 21 -12.309 -5.831 3.489 1.00 0.64 C ATOM 339 CD LYS A 21 -11.867 -6.794 4.580 1.00 1.24 C ATOM 340 CE LYS A 21 -11.953 -8.244 4.126 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.036 -8.539 2.990 1.00 2.39 N ATOM 0 H LYS A 21 -11.464 -2.024 4.281 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.294 -4.397 5.032 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.678 -4.218 4.854 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.598 -3.730 3.173 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.354 -6.017 3.240 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.728 -6.013 2.585 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.842 -6.565 4.873 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.490 -6.653 5.463 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.712 -8.899 4.963 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.978 -8.469 3.830 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -11.156 -9.529 2.695 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.259 -7.911 2.192 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -10.052 -8.383 3.289 1.00 2.39 H new ATOM 355 N THR A 22 -9.986 -3.812 1.808 1.00 0.43 N ATOM 356 CA THR A 22 -9.270 -4.220 0.624 1.00 0.48 C ATOM 357 C THR A 22 -7.778 -3.925 0.777 1.00 0.49 C ATOM 358 O THR A 22 -6.947 -4.808 0.582 1.00 0.68 O ATOM 359 CB THR A 22 -9.834 -3.512 -0.624 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.264 -3.625 -0.631 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.281 -4.118 -1.901 1.00 0.58 C ATOM 0 H THR A 22 -10.579 -2.991 1.686 1.00 0.43 H new ATOM 0 HA THR A 22 -9.401 -5.295 0.496 1.00 0.48 H new ATOM 0 HB THR A 22 -9.536 -2.464 -0.583 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.650 -2.930 -0.058 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.699 -3.596 -2.762 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.195 -4.021 -1.909 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.551 -5.173 -1.950 1.00 0.58 H new ATOM 369 N PHE A 23 -7.457 -2.700 1.193 1.00 0.37 N ATOM 370 CA PHE A 23 -6.072 -2.230 1.244 1.00 0.38 C ATOM 371 C PHE A 23 -5.219 -3.049 2.211 1.00 0.38 C ATOM 372 O PHE A 23 -4.067 -3.366 1.914 1.00 0.43 O ATOM 373 CB PHE A 23 -6.031 -0.749 1.649 1.00 0.37 C ATOM 374 CG PHE A 23 -4.676 -0.108 1.520 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.220 0.341 0.291 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.854 0.041 2.630 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.974 0.927 0.168 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.608 0.626 2.512 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.174 1.085 1.288 1.00 0.48 C ATOM 0 H PHE A 23 -8.143 -2.011 1.502 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.653 -2.354 0.245 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.741 -0.197 1.034 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.366 -0.658 2.682 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.846 0.232 -0.582 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.193 -0.304 3.596 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.625 1.261 -0.798 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.974 0.724 3.381 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.212 1.567 1.202 1.00 0.48 H new ATOM 389 N LEU A 24 -5.771 -3.391 3.363 1.00 0.35 N ATOM 390 CA LEU A 24 -4.970 -4.023 4.400 1.00 0.37 C ATOM 391 C LEU A 24 -5.384 -5.471 4.658 1.00 0.39 C ATOM 392 O LEU A 24 -4.544 -6.317 4.958 1.00 0.48 O ATOM 393 CB LEU A 24 -5.065 -3.214 5.692 1.00 0.40 C ATOM 394 CG LEU A 24 -3.875 -3.378 6.635 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.608 -2.877 5.962 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.111 -2.631 7.937 1.00 0.44 C ATOM 0 H LEU A 24 -6.752 -3.246 3.602 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.939 -4.042 4.048 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.167 -2.159 5.438 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.973 -3.504 6.221 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.760 -4.437 6.867 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.764 -2.997 6.641 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.428 -3.451 5.053 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.723 -1.823 5.709 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.250 -2.762 8.593 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.250 -1.570 7.728 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.003 -3.024 8.425 1.00 0.44 H new ATOM 408 N GLU A 25 -6.668 -5.764 4.536 1.00 0.40 N ATOM 409 CA GLU A 25 -7.177 -7.082 4.904 1.00 0.46 C ATOM 410 C GLU A 25 -7.484 -7.926 3.669 1.00 0.54 C ATOM 411 O GLU A 25 -8.197 -8.927 3.753 1.00 1.01 O ATOM 412 CB GLU A 25 -8.434 -6.940 5.759 1.00 0.51 C ATOM 413 CG GLU A 25 -8.253 -6.027 6.957 1.00 0.66 C ATOM 414 CD GLU A 25 -9.473 -5.994 7.850 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.434 -6.589 8.944 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.480 -5.370 7.456 1.00 1.18 O ATOM 0 H GLU A 25 -7.375 -5.116 4.188 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.402 -7.590 5.478 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.244 -6.556 5.139 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.740 -7.927 6.107 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.392 -6.360 7.536 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.033 -5.017 6.610 1.00 0.66 H new ATOM 423 N GLY A 26 -6.958 -7.515 2.527 1.00 0.37 N ATOM 424 CA GLY A 26 -7.169 -8.262 1.302 1.00 0.45 C ATOM 425 C GLY A 26 -6.050 -8.037 0.319 1.00 0.48 C ATOM 426 O GLY A 26 -6.274 -7.973 -0.879 1.00 0.83 O ATOM 0 H GLY A 26 -6.387 -6.676 2.424 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.245 -9.325 1.531 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.116 -7.964 0.852 1.00 0.45 H new ATOM 430 N PHE A 27 -4.838 -7.961 0.836 1.00 0.42 N ATOM 431 CA PHE A 27 -3.681 -7.536 0.061 1.00 0.44 C ATOM 432 C PHE A 27 -3.499 -8.351 -1.240 1.00 0.47 C ATOM 433 O PHE A 27 -3.426 -7.775 -2.323 1.00 0.53 O ATOM 434 CB PHE A 27 -2.435 -7.617 0.948 1.00 0.48 C ATOM 435 CG PHE A 27 -1.190 -7.066 0.320 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.069 -5.709 0.070 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.142 -7.905 -0.017 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.079 -5.197 -0.503 1.00 0.65 C ATOM 439 CE2 PHE A 27 1.009 -7.399 -0.591 1.00 0.74 C ATOM 440 CZ PHE A 27 1.110 -6.047 -0.855 1.00 0.71 C ATOM 0 H PHE A 27 -4.625 -8.192 1.806 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.842 -6.506 -0.258 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.629 -7.078 1.875 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.262 -8.659 1.215 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.881 -5.044 0.326 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.224 -8.965 0.170 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.170 -4.135 -0.675 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.828 -8.060 -0.833 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.994 -5.655 -1.336 1.00 0.71 H new ATOM 450 N PRO A 28 -3.431 -9.696 -1.168 1.00 0.49 N ATOM 451 CA PRO A 28 -3.178 -10.530 -2.345 1.00 0.57 C ATOM 452 C PRO A 28 -4.436 -10.924 -3.127 1.00 0.59 C ATOM 453 O PRO A 28 -4.382 -11.822 -3.970 1.00 0.76 O ATOM 454 CB PRO A 28 -2.546 -11.761 -1.713 1.00 0.73 C ATOM 455 CG PRO A 28 -3.291 -11.918 -0.438 1.00 0.74 C ATOM 456 CD PRO A 28 -3.536 -10.518 0.055 1.00 0.52 C ATOM 0 HA PRO A 28 -2.573 -10.010 -3.087 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.652 -12.639 -2.351 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.479 -11.620 -1.540 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.230 -12.450 -0.594 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.715 -12.494 0.286 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.518 -10.422 0.519 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -2.800 -10.221 0.802 1.00 0.52 H new ATOM 464 N GLU A 29 -5.565 -10.275 -2.864 1.00 0.54 N ATOM 465 CA GLU A 29 -6.791 -10.613 -3.584 1.00 0.67 C ATOM 466 C GLU A 29 -7.012 -9.653 -4.745 1.00 0.69 C ATOM 467 O GLU A 29 -7.922 -9.836 -5.556 1.00 0.85 O ATOM 468 CB GLU A 29 -8.013 -10.589 -2.660 1.00 0.85 C ATOM 469 CG GLU A 29 -8.492 -9.193 -2.303 1.00 0.90 C ATOM 470 CD GLU A 29 -9.805 -9.201 -1.547 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.779 -9.251 -0.299 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.867 -9.164 -2.197 1.00 1.49 O ATOM 0 H GLU A 29 -5.659 -9.529 -2.175 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.671 -11.626 -3.969 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.829 -11.130 -3.140 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.772 -11.125 -1.742 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.733 -8.696 -1.699 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.606 -8.608 -3.216 1.00 0.90 H new ATOM 479 N TRP A 30 -6.168 -8.631 -4.822 1.00 0.64 N ATOM 480 CA TRP A 30 -6.323 -7.583 -5.820 1.00 0.81 C ATOM 481 C TRP A 30 -5.936 -8.077 -7.214 1.00 0.66 C ATOM 482 O TRP A 30 -5.470 -9.204 -7.391 1.00 0.74 O ATOM 483 CB TRP A 30 -5.464 -6.363 -5.474 1.00 1.07 C ATOM 484 CG TRP A 30 -5.618 -5.850 -4.075 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.617 -6.134 -3.191 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.734 -4.944 -3.404 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.387 -5.485 -2.003 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.244 -4.744 -2.114 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.555 -4.292 -3.768 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.617 -3.918 -1.187 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.934 -3.472 -2.847 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.465 -3.293 -1.569 1.00 4.29 C ATOM 0 H TRP A 30 -5.367 -8.507 -4.203 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.376 -7.301 -5.820 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.417 -6.618 -5.637 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.708 -5.558 -6.168 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.463 -6.774 -3.395 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.975 -5.546 -1.172 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.135 -4.427 -4.754 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.028 -3.776 -0.198 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.023 -2.961 -3.120 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.955 -2.648 -0.869 1.00 4.29 H new ATOM 503 N TRP A 31 -6.125 -7.206 -8.198 1.00 0.55 N ATOM 504 CA TRP A 31 -5.790 -7.499 -9.587 1.00 0.57 C ATOM 505 C TRP A 31 -4.415 -6.939 -10.040 1.00 0.60 C ATOM 506 O TRP A 31 -3.848 -7.467 -10.994 1.00 0.74 O ATOM 507 CB TRP A 31 -6.879 -6.944 -10.510 1.00 0.74 C ATOM 508 CG TRP A 31 -8.267 -7.334 -10.106 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.302 -6.490 -9.821 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.772 -8.665 -9.928 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.419 -7.215 -9.484 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.120 -8.551 -9.543 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.217 -9.941 -10.061 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.920 -9.661 -9.288 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.012 -11.042 -9.808 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.351 -10.897 -9.426 1.00 2.78 C ATOM 0 H TRP A 31 -6.516 -6.275 -8.055 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.726 -8.585 -9.655 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.808 -5.856 -10.529 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.694 -7.293 -11.526 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.250 -5.412 -9.855 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.325 -6.822 -9.231 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.185 -10.064 -10.356 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.953 -9.550 -8.992 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.593 -12.033 -9.907 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.946 -11.778 -9.237 1.00 2.78 H new ATOM 527 N PRO A 32 -3.855 -5.855 -9.421 1.00 0.71 N ATOM 528 CA PRO A 32 -2.614 -5.234 -9.918 1.00 0.84 C ATOM 529 C PRO A 32 -1.341 -6.033 -9.609 1.00 0.85 C ATOM 530 O PRO A 32 -1.377 -7.249 -9.462 1.00 1.36 O ATOM 531 CB PRO A 32 -2.583 -3.893 -9.185 1.00 1.01 C ATOM 532 CG PRO A 32 -3.296 -4.146 -7.907 1.00 0.92 C ATOM 533 CD PRO A 32 -4.364 -5.143 -8.230 1.00 0.87 C ATOM 0 HA PRO A 32 -2.623 -5.165 -11.006 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.560 -3.562 -9.009 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.075 -3.113 -9.766 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.615 -4.533 -7.149 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.726 -3.226 -7.510 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.532 -5.828 -7.399 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.316 -4.653 -8.437 1.00 0.87 H new ATOM 541 N ASN A 33 -0.231 -5.297 -9.488 1.00 0.53 N ATOM 542 CA ASN A 33 1.129 -5.856 -9.368 1.00 0.57 C ATOM 543 C ASN A 33 1.217 -7.026 -8.390 1.00 0.67 C ATOM 544 O ASN A 33 1.868 -8.038 -8.660 1.00 0.72 O ATOM 545 CB ASN A 33 2.079 -4.754 -8.887 1.00 0.60 C ATOM 546 CG ASN A 33 3.530 -5.199 -8.845 1.00 0.82 C ATOM 547 OD1 ASN A 33 4.243 -5.123 -9.842 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.984 -5.633 -7.680 1.00 0.76 N ATOM 0 H ASN A 33 -0.248 -4.277 -9.470 1.00 0.53 H new ATOM 0 HA ASN A 33 1.405 -6.231 -10.354 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.988 -3.891 -9.546 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.775 -4.429 -7.892 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.959 -5.919 -7.587 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.359 -5.681 -6.875 1.00 0.76 H new ATOM 555 N ASN A 34 0.562 -6.867 -7.259 1.00 0.85 N ATOM 556 CA ASN A 34 0.645 -7.812 -6.152 1.00 1.03 C ATOM 557 C ASN A 34 -0.246 -9.040 -6.367 1.00 1.40 C ATOM 558 O ASN A 34 -0.859 -9.547 -5.427 1.00 1.74 O ATOM 559 CB ASN A 34 0.243 -7.086 -4.870 1.00 1.07 C ATOM 560 CG ASN A 34 -1.020 -6.280 -5.065 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.977 -5.108 -5.442 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.147 -6.911 -4.845 1.00 1.47 N ATOM 0 H ASN A 34 -0.050 -6.072 -7.075 1.00 0.85 H new ATOM 0 HA ASN A 34 1.669 -8.178 -6.084 1.00 1.03 H new ATOM 0 HB2 ASN A 34 0.093 -7.812 -4.071 1.00 1.07 H new ATOM 0 HB3 ASN A 34 1.052 -6.427 -4.555 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -3.036 -6.431 -4.985 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.135 -7.882 -4.533 1.00 1.47 H new ATOM 569 N PHE A 35 -0.307 -9.525 -7.599 1.00 1.51 N ATOM 570 CA PHE A 35 -1.087 -10.721 -7.907 1.00 1.98 C ATOM 571 C PHE A 35 -0.180 -11.947 -8.008 1.00 2.03 C ATOM 572 O PHE A 35 -0.653 -13.075 -8.145 1.00 2.51 O ATOM 573 CB PHE A 35 -1.876 -10.539 -9.214 1.00 2.40 C ATOM 574 CG PHE A 35 -1.042 -10.631 -10.468 1.00 2.92 C ATOM 575 CD1 PHE A 35 -0.179 -9.608 -10.828 1.00 3.19 C ATOM 576 CD2 PHE A 35 -1.131 -11.746 -11.290 1.00 3.49 C ATOM 577 CE1 PHE A 35 0.582 -9.695 -11.978 1.00 3.91 C ATOM 578 CE2 PHE A 35 -0.373 -11.837 -12.440 1.00 4.27 C ATOM 579 CZ PHE A 35 0.484 -10.812 -12.784 1.00 4.45 C ATOM 0 H PHE A 35 0.171 -9.113 -8.400 1.00 1.51 H new ATOM 0 HA PHE A 35 -1.796 -10.877 -7.093 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.660 -11.295 -9.258 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -2.371 -9.568 -9.192 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -0.100 -8.732 -10.202 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -1.801 -12.551 -11.027 1.00 3.49 H new ATOM 0 HE1 PHE A 35 1.252 -8.891 -12.246 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -0.451 -12.710 -13.070 1.00 4.27 H new ATOM 0 HZ PHE A 35 1.078 -10.883 -13.683 1.00 4.45 H new ATOM 589 N ARG A 36 1.126 -11.721 -7.936 1.00 1.65 N ATOM 590 CA ARG A 36 2.097 -12.804 -8.065 1.00 1.75 C ATOM 591 C ARG A 36 2.404 -13.418 -6.706 1.00 1.59 C ATOM 592 O ARG A 36 2.731 -12.709 -5.756 1.00 1.48 O ATOM 593 CB ARG A 36 3.386 -12.296 -8.712 1.00 1.73 C ATOM 594 CG ARG A 36 3.221 -11.874 -10.163 1.00 1.84 C ATOM 595 CD ARG A 36 2.803 -13.040 -11.046 1.00 2.25 C ATOM 596 NE ARG A 36 3.829 -14.079 -11.122 1.00 2.72 N ATOM 597 CZ ARG A 36 4.030 -14.845 -12.194 1.00 3.34 C ATOM 598 NH1 ARG A 36 3.278 -14.695 -13.280 1.00 3.59 N ATOM 599 NH2 ARG A 36 4.987 -15.763 -12.184 1.00 4.14 N ATOM 0 H ARG A 36 1.538 -10.800 -7.789 1.00 1.65 H new ATOM 0 HA ARG A 36 1.662 -13.572 -8.704 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.760 -11.449 -8.137 1.00 1.73 H new ATOM 0 HB3 ARG A 36 4.143 -13.079 -8.655 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.475 -11.082 -10.229 1.00 1.84 H new ATOM 0 HG3 ARG A 36 4.160 -11.458 -10.530 1.00 1.84 H new ATOM 0 HD2 ARG A 36 1.880 -13.472 -10.659 1.00 2.25 H new ATOM 0 HD3 ARG A 36 2.587 -12.673 -12.049 1.00 2.25 H new ATOM 0 HE ARG A 36 4.425 -14.226 -10.308 1.00 2.72 H new ATOM 0 HH11 ARG A 36 2.541 -13.990 -13.297 1.00 3.59 H new ATOM 0 HH12 ARG A 36 3.438 -15.285 -14.097 1.00 3.59 H new ATOM 0 HH21 ARG A 36 5.570 -15.883 -11.356 1.00 4.14 H new ATOM 0 HH22 ARG A 36 5.140 -16.349 -13.005 1.00 4.14 H new ATOM 613 N THR A 37 2.348 -14.738 -6.640 1.00 1.75 N ATOM 614 CA THR A 37 2.506 -15.457 -5.385 1.00 1.72 C ATOM 615 C THR A 37 3.967 -15.495 -4.962 1.00 1.37 C ATOM 616 O THR A 37 4.858 -15.693 -5.796 1.00 1.37 O ATOM 617 CB THR A 37 1.964 -16.893 -5.498 1.00 2.19 C ATOM 618 OG1 THR A 37 2.462 -17.512 -6.694 1.00 2.53 O ATOM 619 CG2 THR A 37 0.442 -16.901 -5.516 1.00 2.68 C ATOM 0 H THR A 37 2.193 -15.339 -7.449 1.00 1.75 H new ATOM 0 HA THR A 37 1.931 -14.923 -4.628 1.00 1.72 H new ATOM 0 HB THR A 37 2.304 -17.454 -4.627 1.00 2.19 H new ATOM 0 HG1 THR A 37 2.114 -18.426 -6.758 1.00 2.53 H new ATOM 0 HG21 THR A 37 0.084 -17.928 -5.596 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.065 -16.457 -4.595 1.00 2.68 H new ATOM 0 HG23 THR A 37 0.085 -16.325 -6.370 1.00 2.68 H new ATOM 627 N THR A 38 4.198 -15.273 -3.665 1.00 1.24 N ATOM 628 CA THR A 38 5.538 -15.168 -3.083 1.00 1.07 C ATOM 629 C THR A 38 6.386 -14.142 -3.825 1.00 1.09 C ATOM 630 O THR A 38 7.617 -14.183 -3.801 1.00 1.38 O ATOM 631 CB THR A 38 6.277 -16.528 -2.999 1.00 1.16 C ATOM 632 OG1 THR A 38 6.300 -17.199 -4.267 1.00 1.42 O ATOM 633 CG2 THR A 38 5.626 -17.425 -1.959 1.00 1.37 C ATOM 0 H THR A 38 3.450 -15.160 -2.981 1.00 1.24 H new ATOM 0 HA THR A 38 5.392 -14.827 -2.058 1.00 1.07 H new ATOM 0 HB THR A 38 7.306 -16.319 -2.705 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.122 -16.553 -4.982 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.158 -18.375 -1.914 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.666 -16.940 -0.984 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.586 -17.604 -2.233 1.00 1.37 H new ATOM 641 N LYS A 39 5.710 -13.208 -4.463 1.00 0.96 N ATOM 642 CA LYS A 39 6.363 -12.097 -5.122 1.00 1.09 C ATOM 643 C LYS A 39 5.840 -10.798 -4.514 1.00 1.22 C ATOM 644 O LYS A 39 6.620 -9.970 -4.045 1.00 1.97 O ATOM 645 CB LYS A 39 6.096 -12.154 -6.631 1.00 1.15 C ATOM 646 CG LYS A 39 7.165 -11.491 -7.495 1.00 1.49 C ATOM 647 CD LYS A 39 7.146 -9.976 -7.382 1.00 1.66 C ATOM 648 CE LYS A 39 8.178 -9.331 -8.294 1.00 2.28 C ATOM 649 NZ LYS A 39 7.932 -9.645 -9.726 1.00 2.90 N ATOM 0 H LYS A 39 4.693 -13.198 -4.539 1.00 0.96 H new ATOM 0 HA LYS A 39 7.442 -12.148 -4.977 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.003 -13.198 -6.930 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.137 -11.677 -6.834 1.00 1.15 H new ATOM 0 HG2 LYS A 39 8.147 -11.862 -7.201 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.015 -11.777 -8.536 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.153 -9.605 -7.636 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.341 -9.686 -6.350 1.00 1.66 H new ATOM 0 HE2 LYS A 39 8.162 -8.250 -8.152 1.00 2.28 H new ATOM 0 HE3 LYS A 39 9.174 -9.674 -8.014 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 8.498 -9.009 -10.323 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 8.203 -10.631 -9.917 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 6.923 -9.515 -9.941 1.00 2.90 H new ATOM 663 N VAL A 40 4.514 -10.632 -4.545 1.00 1.04 N ATOM 664 CA VAL A 40 3.840 -9.527 -3.855 1.00 1.22 C ATOM 665 C VAL A 40 2.436 -9.970 -3.448 1.00 1.42 C ATOM 666 O VAL A 40 1.572 -9.148 -3.161 1.00 1.83 O ATOM 667 CB VAL A 40 3.677 -8.257 -4.733 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.614 -7.009 -3.863 1.00 1.78 C ATOM 669 CG2 VAL A 40 4.769 -8.120 -5.776 1.00 1.40 C ATOM 0 H VAL A 40 3.881 -11.255 -5.046 1.00 1.04 H new ATOM 0 HA VAL A 40 4.468 -9.277 -3.000 1.00 1.22 H new ATOM 0 HB VAL A 40 2.736 -8.367 -5.272 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.500 -6.129 -4.496 1.00 1.78 H new ATOM 0 HG12 VAL A 40 2.764 -7.081 -3.185 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.533 -6.922 -3.284 1.00 1.78 H new ATOM 0 HG21 VAL A 40 4.603 -7.214 -6.360 1.00 1.40 H new ATOM 0 HG22 VAL A 40 5.739 -8.061 -5.282 1.00 1.40 H new ATOM 0 HG23 VAL A 40 4.751 -8.986 -6.437 1.00 1.40 H new ATOM 679 N GLY A 41 2.212 -11.274 -3.402 1.00 1.42 N ATOM 680 CA GLY A 41 0.852 -11.763 -3.305 1.00 1.82 C ATOM 681 C GLY A 41 0.745 -13.223 -2.915 1.00 1.67 C ATOM 682 O GLY A 41 -0.056 -13.962 -3.486 1.00 2.17 O ATOM 0 H GLY A 41 2.935 -11.993 -3.430 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.313 -11.162 -2.573 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.356 -11.617 -4.264 1.00 1.82 H new ATOM 686 N ALA A 42 1.561 -13.648 -1.964 1.00 1.12 N ATOM 687 CA ALA A 42 1.372 -14.948 -1.328 1.00 1.00 C ATOM 688 C ALA A 42 0.083 -14.920 -0.491 1.00 1.01 C ATOM 689 O ALA A 42 -0.520 -13.860 -0.347 1.00 1.09 O ATOM 690 CB ALA A 42 2.586 -15.289 -0.475 1.00 0.80 C ATOM 0 H ALA A 42 2.358 -13.117 -1.614 1.00 1.12 H new ATOM 0 HA ALA A 42 1.272 -15.724 -2.086 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.438 -16.260 -0.003 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.475 -15.323 -1.105 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.715 -14.528 0.295 1.00 0.80 H new ATOM 696 N PRO A 43 -0.364 -16.065 0.078 1.00 1.05 N ATOM 697 CA PRO A 43 -1.644 -16.152 0.824 1.00 1.15 C ATOM 698 C PRO A 43 -1.722 -15.295 2.101 1.00 1.08 C ATOM 699 O PRO A 43 -2.495 -15.604 3.010 1.00 1.40 O ATOM 700 CB PRO A 43 -1.741 -17.638 1.194 1.00 1.29 C ATOM 701 CG PRO A 43 -0.348 -18.152 1.115 1.00 1.48 C ATOM 702 CD PRO A 43 0.306 -17.378 0.010 1.00 1.11 C ATOM 0 HA PRO A 43 -2.457 -15.768 0.207 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -2.152 -17.768 2.195 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -2.397 -18.173 0.507 1.00 1.29 H new ATOM 0 HG2 PRO A 43 0.177 -18.007 2.059 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -0.336 -19.221 0.905 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.382 -17.290 0.162 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.159 -17.856 -0.959 1.00 1.11 H new ATOM 710 N LEU A 44 -0.966 -14.209 2.163 1.00 0.87 N ATOM 711 CA LEU A 44 -1.024 -13.304 3.300 1.00 0.85 C ATOM 712 C LEU A 44 -0.893 -11.852 2.845 1.00 0.81 C ATOM 713 O LEU A 44 -1.891 -11.187 2.582 1.00 1.24 O ATOM 714 CB LEU A 44 0.062 -13.635 4.320 1.00 0.95 C ATOM 715 CG LEU A 44 0.103 -12.697 5.522 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.170 -12.826 6.344 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.324 -12.981 6.375 1.00 1.66 C ATOM 0 H LEU A 44 -0.304 -13.933 1.438 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.995 -13.433 3.777 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.088 -14.655 4.675 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.031 -13.610 3.822 1.00 0.95 H new ATOM 0 HG LEU A 44 0.171 -11.672 5.158 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -1.122 -12.149 7.197 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -2.030 -12.570 5.725 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.271 -13.851 6.700 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.338 -12.303 7.228 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.288 -14.011 6.731 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.226 -12.834 5.780 1.00 1.66 H new ATOM 729 N GLY A 45 0.337 -11.361 2.762 1.00 0.61 N ATOM 730 CA GLY A 45 0.566 -10.015 2.282 1.00 0.75 C ATOM 731 C GLY A 45 0.679 -9.003 3.405 1.00 0.61 C ATOM 732 O GLY A 45 1.621 -8.219 3.447 1.00 0.61 O ATOM 0 H GLY A 45 1.181 -11.873 3.019 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.480 -9.996 1.689 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.250 -9.726 1.620 1.00 0.75 H new ATOM 736 N VAL A 46 -0.277 -9.024 4.323 1.00 0.54 N ATOM 737 CA VAL A 46 -0.301 -8.082 5.433 1.00 0.45 C ATOM 738 C VAL A 46 -0.662 -8.803 6.726 1.00 0.47 C ATOM 739 O VAL A 46 -1.483 -9.720 6.728 1.00 0.60 O ATOM 740 CB VAL A 46 -1.308 -6.930 5.195 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.358 -5.999 6.397 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.955 -6.149 3.937 1.00 0.49 C ATOM 0 H VAL A 46 -1.051 -9.688 4.320 1.00 0.54 H new ATOM 0 HA VAL A 46 0.697 -7.651 5.510 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.295 -7.373 5.059 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.072 -5.198 6.207 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.668 -6.560 7.279 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.370 -5.572 6.568 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.678 -5.346 3.793 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.044 -5.725 4.040 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.978 -6.817 3.076 1.00 0.49 H new ATOM 752 N ASP A 47 -0.046 -8.380 7.818 1.00 0.41 N ATOM 753 CA ASP A 47 -0.279 -8.972 9.120 1.00 0.49 C ATOM 754 C ASP A 47 -1.142 -8.036 9.947 1.00 0.52 C ATOM 755 O ASP A 47 -0.696 -6.959 10.349 1.00 0.57 O ATOM 756 CB ASP A 47 1.050 -9.233 9.822 1.00 0.58 C ATOM 757 CG ASP A 47 0.877 -9.831 11.198 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.884 -11.069 11.311 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.745 -9.062 12.169 1.00 0.95 O ATOM 0 H ASP A 47 0.630 -7.616 7.824 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.796 -9.924 9.001 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.652 -9.906 9.211 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.602 -8.297 9.904 1.00 0.58 H new ATOM 764 N LYS A 48 -2.384 -8.444 10.159 1.00 0.63 N ATOM 765 CA LYS A 48 -3.383 -7.605 10.810 1.00 0.79 C ATOM 766 C LYS A 48 -3.250 -7.620 12.337 1.00 0.85 C ATOM 767 O LYS A 48 -3.828 -6.776 13.020 1.00 1.06 O ATOM 768 CB LYS A 48 -4.780 -8.083 10.399 1.00 1.01 C ATOM 769 CG LYS A 48 -5.874 -7.065 10.654 1.00 1.38 C ATOM 770 CD LYS A 48 -5.532 -5.739 10.005 1.00 1.34 C ATOM 771 CE LYS A 48 -6.637 -4.715 10.185 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.013 -4.534 11.615 1.00 2.81 N ATOM 0 H LYS A 48 -2.729 -9.364 9.886 1.00 0.63 H new ATOM 0 HA LYS A 48 -3.223 -6.576 10.487 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.770 -8.334 9.338 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -5.015 -8.999 10.942 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -6.821 -7.435 10.261 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -6.007 -6.927 11.727 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -4.607 -5.353 10.434 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.350 -5.892 8.941 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -6.314 -3.759 9.773 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -7.514 -5.027 9.618 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.630 -3.702 11.709 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -7.517 -5.379 11.951 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.154 -4.394 12.185 1.00 2.81 H new ATOM 786 N LYS A 49 -2.480 -8.562 12.870 1.00 0.80 N ATOM 787 CA LYS A 49 -2.426 -8.764 14.318 1.00 0.97 C ATOM 788 C LYS A 49 -1.328 -7.923 14.961 1.00 1.14 C ATOM 789 O LYS A 49 -1.515 -7.368 16.045 1.00 1.32 O ATOM 790 CB LYS A 49 -2.244 -10.250 14.659 1.00 1.08 C ATOM 791 CG LYS A 49 -1.088 -10.920 13.937 1.00 1.35 C ATOM 792 CD LYS A 49 -0.927 -12.370 14.361 1.00 1.66 C ATOM 793 CE LYS A 49 0.144 -13.073 13.544 1.00 2.40 C ATOM 794 NZ LYS A 49 0.308 -14.496 13.943 1.00 3.17 N ATOM 0 H LYS A 49 -1.889 -9.194 12.330 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.379 -8.433 14.730 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.091 -10.348 15.734 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.165 -10.781 14.418 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.254 -10.872 12.861 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.166 -10.376 14.142 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.667 -12.414 15.419 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.877 -12.892 14.244 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -0.115 -13.021 12.486 1.00 2.40 H new ATOM 0 HE3 LYS A 49 1.093 -12.551 13.666 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 1.048 -14.937 13.360 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 0.581 -14.546 14.945 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -0.590 -15.002 13.803 1.00 3.17 H new ATOM 808 N GLY A 50 -0.187 -7.835 14.301 1.00 1.22 N ATOM 809 CA GLY A 50 0.889 -7.003 14.792 1.00 1.53 C ATOM 810 C GLY A 50 1.000 -5.733 13.987 1.00 1.14 C ATOM 811 O GLY A 50 1.360 -4.675 14.512 1.00 1.29 O ATOM 0 H GLY A 50 0.015 -8.327 13.430 1.00 1.22 H new ATOM 0 HA2 GLY A 50 0.716 -6.759 15.840 1.00 1.53 H new ATOM 0 HA3 GLY A 50 1.829 -7.552 14.743 1.00 1.53 H new ATOM 815 N GLY A 51 0.672 -5.835 12.712 1.00 0.77 N ATOM 816 CA GLY A 51 0.733 -4.689 11.840 1.00 0.65 C ATOM 817 C GLY A 51 2.030 -4.635 11.069 1.00 0.56 C ATOM 818 O GLY A 51 2.957 -3.914 11.434 1.00 0.60 O ATOM 0 H GLY A 51 0.363 -6.698 12.264 1.00 0.77 H new ATOM 0 HA2 GLY A 51 -0.103 -4.720 11.142 1.00 0.65 H new ATOM 0 HA3 GLY A 51 0.623 -3.779 12.429 1.00 0.65 H new ATOM 822 N ARG A 52 2.101 -5.426 10.010 1.00 0.51 N ATOM 823 CA ARG A 52 3.265 -5.434 9.127 1.00 0.53 C ATOM 824 C ARG A 52 2.866 -5.987 7.762 1.00 0.50 C ATOM 825 O ARG A 52 1.796 -6.560 7.624 1.00 0.60 O ATOM 826 CB ARG A 52 4.381 -6.279 9.748 1.00 0.68 C ATOM 827 CG ARG A 52 3.979 -7.724 9.965 1.00 1.04 C ATOM 828 CD ARG A 52 4.827 -8.402 11.021 1.00 1.42 C ATOM 829 NE ARG A 52 4.422 -9.791 11.217 1.00 2.14 N ATOM 830 CZ ARG A 52 4.926 -10.599 12.149 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.833 -10.153 13.009 1.00 2.98 N ATOM 832 NH2 ARG A 52 4.507 -11.855 12.227 1.00 3.72 N ATOM 0 H ARG A 52 1.364 -6.076 9.737 1.00 0.51 H new ATOM 0 HA ARG A 52 3.634 -4.416 8.998 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.258 -6.245 9.101 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.672 -5.841 10.703 1.00 0.68 H new ATOM 0 HG2 ARG A 52 2.931 -7.767 10.261 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.068 -8.269 9.025 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.876 -8.365 10.727 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.741 -7.860 11.963 1.00 1.42 H new ATOM 0 HE ARG A 52 3.704 -10.169 10.598 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.150 -9.185 12.960 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.213 -10.779 13.719 1.00 2.98 H new ATOM 0 HH21 ARG A 52 3.802 -12.199 11.575 1.00 3.72 H new ATOM 0 HH22 ARG A 52 4.890 -12.477 12.939 1.00 3.72 H new ATOM 846 N TRP A 53 3.704 -5.793 6.757 1.00 0.52 N ATOM 847 CA TRP A 53 3.431 -6.330 5.421 1.00 0.53 C ATOM 848 C TRP A 53 4.432 -7.427 5.094 1.00 0.57 C ATOM 849 O TRP A 53 5.626 -7.165 5.063 1.00 0.73 O ATOM 850 CB TRP A 53 3.534 -5.234 4.347 1.00 0.65 C ATOM 851 CG TRP A 53 2.512 -4.138 4.447 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.944 -3.635 5.577 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.959 -3.388 3.358 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.063 -2.632 5.262 1.00 0.68 N ATOM 855 CE2 TRP A 53 1.055 -2.461 3.904 1.00 0.82 C ATOM 856 CE3 TRP A 53 2.138 -3.418 1.974 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.335 -1.567 3.114 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.425 -2.531 1.190 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.532 -1.617 1.762 1.00 1.28 C ATOM 0 H TRP A 53 4.577 -5.271 6.833 1.00 0.52 H new ATOM 0 HA TRP A 53 2.416 -6.728 5.423 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.527 -4.788 4.401 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.447 -5.701 3.366 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.157 -3.977 6.579 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.505 -2.101 5.930 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.822 -4.122 1.524 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.353 -0.860 3.554 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.559 -2.543 0.118 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.012 -0.938 1.122 1.00 1.28 H new ATOM 870 N TYR A 54 3.968 -8.651 4.884 1.00 0.49 N ATOM 871 CA TYR A 54 4.860 -9.722 4.462 1.00 0.58 C ATOM 872 C TYR A 54 4.077 -10.908 3.911 1.00 0.49 C ATOM 873 O TYR A 54 2.889 -11.078 4.194 1.00 0.52 O ATOM 874 CB TYR A 54 5.777 -10.165 5.610 1.00 0.75 C ATOM 875 CG TYR A 54 5.117 -11.029 6.658 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.465 -12.366 6.782 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.165 -10.516 7.529 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.890 -13.167 7.744 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.581 -11.314 8.494 1.00 0.95 C ATOM 880 CZ TYR A 54 3.949 -12.639 8.596 1.00 1.20 C ATOM 881 OH TYR A 54 3.380 -13.437 9.560 1.00 1.66 O ATOM 0 H TYR A 54 2.992 -8.925 4.997 1.00 0.49 H new ATOM 0 HA TYR A 54 5.486 -9.330 3.661 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.622 -10.711 5.190 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.181 -9.277 6.095 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.200 -12.787 6.112 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.877 -9.478 7.451 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.177 -14.205 7.829 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.841 -10.903 9.164 1.00 0.95 H new ATOM 0 HH TYR A 54 3.766 -14.336 9.510 1.00 1.66 H new ATOM 891 N GLU A 55 4.754 -11.725 3.124 1.00 0.52 N ATOM 892 CA GLU A 55 4.152 -12.915 2.555 1.00 0.56 C ATOM 893 C GLU A 55 4.774 -14.158 3.162 1.00 0.62 C ATOM 894 O GLU A 55 5.924 -14.135 3.604 1.00 0.81 O ATOM 895 CB GLU A 55 4.360 -12.955 1.046 1.00 0.73 C ATOM 896 CG GLU A 55 3.878 -11.730 0.311 1.00 0.81 C ATOM 897 CD GLU A 55 4.431 -11.698 -1.090 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.996 -12.521 -1.913 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.260 -10.809 -1.383 1.00 2.12 O ATOM 0 H GLU A 55 5.730 -11.583 2.863 1.00 0.52 H new ATOM 0 HA GLU A 55 3.085 -12.887 2.774 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.422 -13.089 0.843 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.846 -13.828 0.645 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.789 -11.725 0.278 1.00 0.81 H new ATOM 0 HG3 GLU A 55 4.184 -10.833 0.849 1.00 0.81 H new ATOM 906 N ILE A 56 4.017 -15.238 3.171 1.00 0.63 N ATOM 907 CA ILE A 56 4.530 -16.520 3.617 1.00 0.68 C ATOM 908 C ILE A 56 5.313 -17.170 2.483 1.00 0.70 C ATOM 909 O ILE A 56 4.723 -17.673 1.526 1.00 0.80 O ATOM 910 CB ILE A 56 3.385 -17.460 4.057 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.464 -16.763 5.063 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.943 -18.746 4.650 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.159 -16.326 6.334 1.00 0.90 C ATOM 0 H ILE A 56 3.041 -15.254 2.874 1.00 0.63 H new ATOM 0 HA ILE A 56 5.180 -16.351 4.475 1.00 0.68 H new ATOM 0 HB ILE A 56 2.798 -17.713 3.174 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.017 -15.890 4.587 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.648 -17.438 5.321 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.120 -19.394 4.953 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.551 -19.257 3.903 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.558 -18.509 5.518 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.440 -15.841 6.994 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.582 -17.197 6.835 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.957 -15.625 6.090 1.00 0.90 H new ATOM 925 N ASP A 57 6.637 -17.128 2.571 1.00 0.65 N ATOM 926 CA ASP A 57 7.478 -17.669 1.510 1.00 0.72 C ATOM 927 C ASP A 57 7.786 -19.143 1.778 1.00 0.76 C ATOM 928 O ASP A 57 7.219 -19.741 2.693 1.00 0.96 O ATOM 929 CB ASP A 57 8.767 -16.853 1.389 1.00 0.84 C ATOM 930 CG ASP A 57 9.427 -17.001 0.030 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.057 -16.260 -0.902 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.318 -17.861 -0.110 1.00 1.97 O ATOM 0 H ASP A 57 7.148 -16.729 3.358 1.00 0.65 H new ATOM 0 HA ASP A 57 6.942 -17.601 0.564 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.545 -15.801 1.568 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.466 -17.168 2.164 1.00 0.84 H new ATOM 937 N GLU A 58 8.693 -19.724 1.001 1.00 0.87 N ATOM 938 CA GLU A 58 8.948 -21.158 1.063 1.00 1.01 C ATOM 939 C GLU A 58 9.718 -21.545 2.323 1.00 1.04 C ATOM 940 O GLU A 58 9.539 -22.644 2.854 1.00 1.17 O ATOM 941 CB GLU A 58 9.709 -21.621 -0.182 1.00 1.35 C ATOM 942 CG GLU A 58 11.037 -20.916 -0.384 1.00 1.54 C ATOM 943 CD GLU A 58 11.781 -21.416 -1.601 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.475 -20.957 -2.722 1.00 2.43 O ATOM 945 OE2 GLU A 58 12.679 -22.267 -1.444 1.00 2.21 O ATOM 0 H GLU A 58 9.264 -19.223 0.320 1.00 0.87 H new ATOM 0 HA GLU A 58 7.980 -21.659 1.099 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.885 -22.694 -0.111 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.084 -21.458 -1.060 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.864 -19.844 -0.483 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.658 -21.058 0.501 1.00 1.54 H new ATOM 952 N GLN A 59 10.564 -20.645 2.806 1.00 1.10 N ATOM 953 CA GLN A 59 11.380 -20.931 3.982 1.00 1.36 C ATOM 954 C GLN A 59 10.599 -20.646 5.259 1.00 1.39 C ATOM 955 O GLN A 59 11.021 -21.009 6.357 1.00 1.70 O ATOM 956 CB GLN A 59 12.689 -20.124 3.959 1.00 1.60 C ATOM 957 CG GLN A 59 12.554 -18.644 4.328 1.00 1.69 C ATOM 958 CD GLN A 59 11.574 -17.887 3.456 1.00 1.62 C ATOM 959 OE1 GLN A 59 10.399 -17.740 3.796 1.00 2.39 O ATOM 960 NE2 GLN A 59 12.042 -17.418 2.319 1.00 1.40 N ATOM 0 H GLN A 59 10.704 -19.717 2.406 1.00 1.10 H new ATOM 0 HA GLN A 59 11.637 -21.990 3.962 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.395 -20.590 4.646 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.122 -20.194 2.961 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.238 -18.565 5.368 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.533 -18.170 4.256 1.00 1.69 H new ATOM 0 HE21 GLN A 59 13.022 -17.560 2.073 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.425 -16.912 1.684 1.00 1.40 H new ATOM 969 N GLY A 60 9.450 -20.009 5.102 1.00 1.19 N ATOM 970 CA GLY A 60 8.615 -19.691 6.235 1.00 1.39 C ATOM 971 C GLY A 60 7.880 -18.381 6.061 1.00 1.45 C ATOM 972 O GLY A 60 6.758 -18.358 5.568 1.00 2.29 O ATOM 0 H GLY A 60 9.080 -19.705 4.201 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.892 -20.493 6.386 1.00 1.39 H new ATOM 0 HA3 GLY A 60 9.230 -19.643 7.134 1.00 1.39 H new ATOM 976 N GLU A 61 8.524 -17.288 6.438 1.00 1.11 N ATOM 977 CA GLU A 61 7.871 -15.983 6.476 1.00 1.15 C ATOM 978 C GLU A 61 8.858 -14.862 6.178 1.00 1.26 C ATOM 979 O GLU A 61 8.752 -13.770 6.737 1.00 1.72 O ATOM 980 CB GLU A 61 7.254 -15.744 7.861 1.00 1.33 C ATOM 981 CG GLU A 61 6.154 -16.723 8.240 1.00 1.38 C ATOM 982 CD GLU A 61 5.671 -16.529 9.661 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.100 -17.292 10.552 1.00 1.77 O ATOM 984 OE2 GLU A 61 4.865 -15.604 9.896 1.00 2.31 O ATOM 0 H GLU A 61 9.503 -17.276 6.724 1.00 1.11 H new ATOM 0 HA GLU A 61 7.093 -15.980 5.712 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.044 -15.797 8.610 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.850 -14.732 7.895 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.315 -16.605 7.555 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.522 -17.742 8.120 1.00 1.38 H new ATOM 991 N GLU A 62 9.789 -15.103 5.269 1.00 1.06 N ATOM 992 CA GLU A 62 10.853 -14.144 5.041 1.00 1.20 C ATOM 993 C GLU A 62 10.593 -13.338 3.780 1.00 1.00 C ATOM 994 O GLU A 62 11.122 -13.617 2.703 1.00 1.08 O ATOM 995 CB GLU A 62 12.205 -14.849 4.988 1.00 1.54 C ATOM 996 CG GLU A 62 13.393 -13.896 4.955 1.00 1.98 C ATOM 997 CD GLU A 62 13.330 -12.830 6.035 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.161 -13.184 7.223 1.00 2.61 O ATOM 999 OE2 GLU A 62 13.462 -11.630 5.700 1.00 2.56 O ATOM 0 H GLU A 62 9.829 -15.940 4.687 1.00 1.06 H new ATOM 0 HA GLU A 62 10.875 -13.444 5.877 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.298 -15.502 5.856 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.238 -15.487 4.105 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.314 -14.468 5.070 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.438 -13.414 3.979 1.00 1.98 H new ATOM 1006 N HIS A 63 9.703 -12.379 3.916 1.00 0.90 N ATOM 1007 CA HIS A 63 9.437 -11.415 2.870 1.00 0.85 C ATOM 1008 C HIS A 63 9.647 -10.002 3.390 1.00 0.92 C ATOM 1009 O HIS A 63 9.728 -9.794 4.600 1.00 1.22 O ATOM 1010 CB HIS A 63 8.026 -11.605 2.323 1.00 0.96 C ATOM 1011 CG HIS A 63 8.013 -12.303 1.001 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.664 -11.689 -0.183 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.340 -13.574 0.678 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.786 -12.553 -1.173 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.194 -13.702 -0.675 1.00 3.37 N ATOM 0 H HIS A 63 9.142 -12.245 4.757 1.00 0.90 H new ATOM 0 HA HIS A 63 10.137 -11.576 2.050 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.437 -12.178 3.039 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.545 -10.632 2.221 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.658 -14.346 1.363 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.585 -12.352 -2.215 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.372 -14.550 -1.212 1.00 3.37 H new ATOM 1024 N THR A 64 9.762 -9.045 2.478 1.00 0.97 N ATOM 1025 CA THR A 64 10.004 -7.654 2.835 1.00 1.01 C ATOM 1026 C THR A 64 8.908 -7.113 3.757 1.00 1.50 C ATOM 1027 O THR A 64 7.786 -6.858 3.323 1.00 2.27 O ATOM 1028 CB THR A 64 10.102 -6.793 1.563 1.00 1.03 C ATOM 1029 OG1 THR A 64 9.074 -7.178 0.640 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.463 -6.951 0.900 1.00 1.44 C ATOM 0 H THR A 64 9.690 -9.211 1.474 1.00 0.97 H new ATOM 0 HA THR A 64 10.949 -7.605 3.377 1.00 1.01 H new ATOM 0 HB THR A 64 9.974 -5.748 1.846 1.00 1.03 H new ATOM 0 HG1 THR A 64 8.217 -7.241 1.112 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.505 -6.332 0.004 1.00 1.44 H new ATOM 0 HG22 THR A 64 12.244 -6.639 1.594 1.00 1.44 H new ATOM 0 HG23 THR A 64 11.616 -7.995 0.627 1.00 1.44 H new ATOM 1038 N PHE A 65 9.251 -6.952 5.032 1.00 1.66 N ATOM 1039 CA PHE A 65 8.280 -6.585 6.058 1.00 2.32 C ATOM 1040 C PHE A 65 7.968 -5.087 6.048 1.00 1.96 C ATOM 1041 O PHE A 65 8.799 -4.261 6.421 1.00 2.43 O ATOM 1042 CB PHE A 65 8.772 -7.030 7.449 1.00 3.26 C ATOM 1043 CG PHE A 65 10.130 -6.497 7.840 1.00 4.27 C ATOM 1044 CD1 PHE A 65 11.284 -7.040 7.296 1.00 4.99 C ATOM 1045 CD2 PHE A 65 10.251 -5.456 8.747 1.00 4.69 C ATOM 1046 CE1 PHE A 65 12.529 -6.558 7.651 1.00 6.10 C ATOM 1047 CE2 PHE A 65 11.494 -4.969 9.106 1.00 5.77 C ATOM 1048 CZ PHE A 65 12.629 -5.511 8.562 1.00 6.48 C ATOM 0 H PHE A 65 10.202 -7.071 5.381 1.00 1.66 H new ATOM 0 HA PHE A 65 7.351 -7.107 5.828 1.00 2.32 H new ATOM 0 HB2 PHE A 65 8.044 -6.712 8.195 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.803 -8.119 7.477 1.00 3.26 H new ATOM 0 HD1 PHE A 65 11.209 -7.850 6.586 1.00 4.99 H new ATOM 0 HD2 PHE A 65 9.363 -5.020 9.179 1.00 4.69 H new ATOM 0 HE1 PHE A 65 13.421 -6.992 7.223 1.00 6.10 H new ATOM 0 HE2 PHE A 65 11.571 -4.160 9.817 1.00 5.77 H new ATOM 0 HZ PHE A 65 13.599 -5.126 8.840 1.00 6.48 H new ATOM 1058 N GLY A 66 6.760 -4.750 5.615 1.00 1.23 N ATOM 1059 CA GLY A 66 6.317 -3.372 5.617 1.00 0.93 C ATOM 1060 C GLY A 66 6.154 -2.859 7.026 1.00 0.80 C ATOM 1061 O GLY A 66 5.608 -3.556 7.884 1.00 0.96 O ATOM 0 H GLY A 66 6.074 -5.415 5.259 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.038 -2.754 5.082 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.370 -3.290 5.084 1.00 0.93 H new ATOM 1065 N LEU A 67 6.616 -1.650 7.267 1.00 0.64 N ATOM 1066 CA LEU A 67 6.688 -1.124 8.616 1.00 0.65 C ATOM 1067 C LEU A 67 5.389 -0.443 9.009 1.00 0.51 C ATOM 1068 O LEU A 67 5.253 0.764 8.855 1.00 0.54 O ATOM 1069 CB LEU A 67 7.813 -0.095 8.733 1.00 0.76 C ATOM 1070 CG LEU A 67 9.225 -0.553 8.357 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.408 -0.611 6.843 1.00 1.17 C ATOM 1072 CD2 LEU A 67 10.237 0.388 8.980 1.00 1.14 C ATOM 0 H LEU A 67 6.948 -1.011 6.545 1.00 0.64 H new ATOM 0 HA LEU A 67 6.877 -1.969 9.279 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.557 0.758 8.105 1.00 0.76 H new ATOM 0 HB3 LEU A 67 7.837 0.263 9.762 1.00 0.76 H new ATOM 0 HG LEU A 67 9.379 -1.562 8.741 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.421 -0.940 6.611 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.692 -1.314 6.417 1.00 1.17 H new ATOM 0 HD13 LEU A 67 9.242 0.379 6.418 1.00 1.17 H new ATOM 0 HD21 LEU A 67 11.244 0.066 8.715 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.070 1.399 8.609 1.00 1.14 H new ATOM 0 HD23 LEU A 67 10.126 0.376 10.064 1.00 1.14 H new ATOM 1084 N ILE A 68 4.432 -1.182 9.526 1.00 0.43 N ATOM 1085 CA ILE A 68 3.217 -0.542 9.981 1.00 0.38 C ATOM 1086 C ILE A 68 3.429 0.018 11.375 1.00 0.45 C ATOM 1087 O ILE A 68 3.701 -0.714 12.327 1.00 0.61 O ATOM 1088 CB ILE A 68 1.987 -1.470 9.976 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.720 -2.027 8.577 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.773 -0.705 10.474 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.446 -2.844 8.482 1.00 0.44 C ATOM 0 H ILE A 68 4.466 -2.195 9.640 1.00 0.43 H new ATOM 0 HA ILE A 68 3.003 0.256 9.271 1.00 0.38 H new ATOM 0 HB ILE A 68 2.186 -2.312 10.639 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.665 -1.199 7.870 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.563 -2.648 8.275 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.097 -1.361 10.471 1.00 0.46 H new ATOM 0 HG22 ILE A 68 0.957 -0.351 11.489 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.587 0.148 9.821 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.322 -3.207 7.462 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.506 -3.692 9.164 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.407 -2.221 8.752 1.00 0.44 H new ATOM 1103 N ARG A 69 3.333 1.328 11.473 1.00 0.43 N ATOM 1104 CA ARG A 69 3.546 2.023 12.726 1.00 0.55 C ATOM 1105 C ARG A 69 2.214 2.440 13.332 1.00 0.51 C ATOM 1106 O ARG A 69 2.143 2.823 14.500 1.00 0.67 O ATOM 1107 CB ARG A 69 4.450 3.231 12.488 1.00 0.70 C ATOM 1108 CG ARG A 69 5.884 2.834 12.173 1.00 1.19 C ATOM 1109 CD ARG A 69 6.610 3.900 11.374 1.00 0.74 C ATOM 1110 NE ARG A 69 8.056 3.687 11.373 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.951 4.631 11.083 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.553 5.844 10.720 1.00 2.00 N ATOM 1113 NH2 ARG A 69 10.248 4.355 11.153 1.00 1.83 N ATOM 0 H ARG A 69 3.106 1.940 10.689 1.00 0.43 H new ATOM 0 HA ARG A 69 4.037 1.356 13.435 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.051 3.822 11.664 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.439 3.868 13.372 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.421 2.650 13.103 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.886 1.898 11.614 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.242 3.899 10.348 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.388 4.882 11.792 1.00 0.74 H new ATOM 0 HE ARG A 69 8.402 2.757 11.609 1.00 1.08 H new ATOM 0 HH11 ARG A 69 7.557 6.058 10.662 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.243 6.562 10.499 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.557 3.423 11.428 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.935 5.075 10.932 1.00 1.83 H new ATOM 1127 N LYS A 70 1.161 2.350 12.528 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.186 2.656 12.984 1.00 0.41 C ATOM 1129 C LYS A 70 -1.239 1.964 12.123 1.00 0.35 C ATOM 1130 O LYS A 70 -1.293 2.166 10.908 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.435 4.167 12.966 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.900 4.535 13.158 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.135 6.029 13.030 1.00 0.99 C ATOM 1134 CE LYS A 70 -1.515 6.804 14.180 1.00 1.08 C ATOM 1135 NZ LYS A 70 -1.844 8.249 14.103 1.00 1.53 N ATOM 0 H LYS A 70 1.217 2.065 11.550 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.270 2.285 14.006 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.157 4.636 13.752 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.086 4.575 12.018 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.505 4.009 12.420 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.232 4.199 14.140 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.716 6.382 12.088 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.207 6.226 12.996 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -1.871 6.399 15.127 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -0.433 6.675 14.165 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -1.405 8.748 14.903 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -1.482 8.640 13.210 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.876 8.373 14.142 1.00 1.53 H new ATOM 1149 N VAL A 71 -2.058 1.141 12.760 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.266 0.623 12.140 1.00 0.36 C ATOM 1151 C VAL A 71 -4.461 1.271 12.826 1.00 0.37 C ATOM 1152 O VAL A 71 -4.960 0.769 13.835 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.394 -0.919 12.250 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.663 -1.403 11.565 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.183 -1.626 11.661 1.00 0.77 C ATOM 0 H VAL A 71 -1.905 0.816 13.715 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.226 0.861 11.077 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.446 -1.165 13.311 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.734 -2.487 11.654 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.530 -0.943 12.039 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.636 -1.126 10.511 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.309 -2.704 11.756 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -2.085 -1.364 10.607 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.285 -1.317 12.196 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.889 2.415 12.318 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.956 3.164 12.961 1.00 0.36 C ATOM 1167 C ASP A 72 -7.284 2.875 12.291 1.00 0.35 C ATOM 1168 O ASP A 72 -7.802 3.727 11.570 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.688 4.664 12.901 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.547 5.443 13.885 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.112 4.816 14.812 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -6.634 6.682 13.768 1.00 1.42 O ATOM 0 H ASP A 72 -4.518 2.843 11.470 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.994 2.850 14.004 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.635 4.852 13.113 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -5.879 5.025 11.890 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.796 1.654 12.510 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.092 1.204 11.966 1.00 0.39 C ATOM 1179 C GLU A 73 -9.229 1.559 10.469 1.00 0.38 C ATOM 1180 O GLU A 73 -8.238 1.892 9.815 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.254 1.788 12.804 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.434 3.295 12.702 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.621 3.789 13.496 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.601 3.663 14.738 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.581 4.303 12.882 1.00 0.92 O ATOM 0 H GLU A 73 -7.323 0.946 13.071 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.138 0.117 12.036 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.181 1.306 12.495 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.093 1.528 13.850 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.531 3.791 13.058 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.559 3.573 11.656 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.423 1.412 9.863 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.690 2.023 8.563 1.00 0.32 C ATOM 1194 C PRO A 74 -10.713 3.547 8.671 1.00 0.31 C ATOM 1195 O PRO A 74 -11.781 4.152 8.666 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.076 1.490 8.174 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.307 0.312 9.056 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.559 0.595 10.324 1.00 0.38 C ATOM 0 HA PRO A 74 -9.924 1.781 7.826 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -12.845 2.249 8.322 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.107 1.206 7.122 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.370 0.174 9.252 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.948 -0.604 8.587 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.176 1.131 11.045 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.226 -0.322 10.809 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.535 4.150 8.811 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.415 5.600 8.967 1.00 0.31 C ATOM 1208 C ASP A 75 -8.042 6.084 8.499 1.00 0.30 C ATOM 1209 O ASP A 75 -7.923 6.708 7.442 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.636 6.005 10.434 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.643 7.511 10.653 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.558 8.120 10.727 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.744 8.095 10.773 1.00 0.50 O ATOM 0 H ASP A 75 -8.644 3.654 8.820 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.181 6.069 8.350 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.584 5.591 10.778 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.853 5.560 11.048 1.00 0.34 H new ATOM 1218 N THR A 76 -7.004 5.771 9.268 1.00 0.28 N ATOM 1219 CA THR A 76 -5.663 6.268 8.980 1.00 0.29 C ATOM 1220 C THR A 76 -4.584 5.233 9.269 1.00 0.29 C ATOM 1221 O THR A 76 -4.479 4.720 10.376 1.00 0.35 O ATOM 1222 CB THR A 76 -5.362 7.534 9.796 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.044 7.481 11.051 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.773 8.783 9.033 1.00 0.35 C ATOM 0 H THR A 76 -7.065 5.176 10.094 1.00 0.28 H new ATOM 0 HA THR A 76 -5.646 6.496 7.914 1.00 0.29 H new ATOM 0 HB THR A 76 -4.287 7.579 9.973 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.981 7.738 10.925 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.549 9.666 9.632 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.222 8.833 8.094 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.842 8.747 8.825 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.771 4.920 8.275 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.704 3.950 8.471 1.00 0.31 C ATOM 1234 C LEU A 77 -1.349 4.597 8.233 1.00 0.33 C ATOM 1235 O LEU A 77 -1.101 5.156 7.167 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.855 2.742 7.549 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.206 2.025 7.589 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -4.841 2.057 8.970 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -5.136 2.587 6.524 1.00 0.69 C ATOM 0 H LEU A 77 -3.826 5.316 7.337 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.772 3.603 9.502 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.670 3.067 6.525 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.077 2.021 7.799 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.027 0.973 7.366 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.797 1.535 8.943 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -4.180 1.568 9.686 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -5.001 3.092 9.273 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -6.093 2.067 6.565 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -5.293 3.651 6.703 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -4.689 2.447 5.540 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.484 4.533 9.226 1.00 0.32 N ATOM 1252 CA VAL A 78 0.872 5.038 9.079 1.00 0.36 C ATOM 1253 C VAL A 78 1.825 3.868 8.889 1.00 0.34 C ATOM 1254 O VAL A 78 2.151 3.156 9.841 1.00 0.36 O ATOM 1255 CB VAL A 78 1.310 5.881 10.297 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.723 6.408 10.107 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.339 7.029 10.529 1.00 0.67 C ATOM 0 H VAL A 78 -0.693 4.138 10.143 1.00 0.32 H new ATOM 0 HA VAL A 78 0.897 5.690 8.206 1.00 0.36 H new ATOM 0 HB VAL A 78 1.301 5.238 11.177 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.011 6.999 10.977 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.411 5.571 9.993 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.761 7.033 9.215 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.664 7.612 11.391 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.315 7.669 9.647 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.658 6.630 10.716 1.00 0.67 H new ATOM 1267 N ILE A 79 2.226 3.639 7.651 1.00 0.35 N ATOM 1268 CA ILE A 79 3.068 2.501 7.328 1.00 0.39 C ATOM 1269 C ILE A 79 4.291 2.933 6.512 1.00 0.40 C ATOM 1270 O ILE A 79 4.205 3.824 5.666 1.00 0.43 O ATOM 1271 CB ILE A 79 2.239 1.397 6.613 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.120 0.239 6.108 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.402 1.983 5.488 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.569 0.360 4.663 1.00 0.67 C ATOM 0 H ILE A 79 1.982 4.226 6.853 1.00 0.35 H new ATOM 0 HA ILE A 79 3.448 2.073 8.256 1.00 0.39 H new ATOM 0 HB ILE A 79 1.561 0.977 7.356 1.00 0.48 H new ATOM 0 HG12 ILE A 79 4.003 0.170 6.743 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.570 -0.695 6.225 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.833 1.188 5.006 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.715 2.726 5.894 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.057 2.456 4.756 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.184 -0.501 4.400 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.695 0.395 4.012 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.151 1.273 4.538 1.00 0.67 H new ATOM 1286 N GLY A 80 5.426 2.320 6.814 1.00 0.42 N ATOM 1287 CA GLY A 80 6.663 2.615 6.127 1.00 0.46 C ATOM 1288 C GLY A 80 6.970 1.610 5.035 1.00 0.46 C ATOM 1289 O GLY A 80 6.671 0.420 5.163 1.00 0.50 O ATOM 0 H GLY A 80 5.510 1.608 7.540 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.605 3.613 5.693 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.481 2.627 6.847 1.00 0.46 H new ATOM 1293 N TRP A 81 7.581 2.100 3.975 1.00 0.50 N ATOM 1294 CA TRP A 81 7.849 1.315 2.781 1.00 0.51 C ATOM 1295 C TRP A 81 8.970 0.295 2.988 1.00 0.53 C ATOM 1296 O TRP A 81 9.966 0.574 3.658 1.00 0.81 O ATOM 1297 CB TRP A 81 8.231 2.266 1.656 1.00 0.74 C ATOM 1298 CG TRP A 81 8.358 1.604 0.336 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.506 1.376 -0.358 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.294 1.077 -0.444 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.219 0.735 -1.532 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.858 0.547 -1.613 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.913 1.009 -0.263 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.085 -0.048 -2.602 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.144 0.420 -1.243 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.731 -0.101 -2.400 1.00 2.79 C ATOM 0 H TRP A 81 7.910 3.064 3.915 1.00 0.50 H new ATOM 0 HA TRP A 81 6.948 0.753 2.536 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.481 3.054 1.587 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.177 2.747 1.904 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.496 1.659 -0.031 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.901 0.444 -2.232 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.455 1.411 0.629 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.534 -0.454 -3.496 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.073 0.360 -1.116 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.103 -0.556 -3.152 1.00 2.79 H new ATOM 1317 N ARG A 82 8.799 -0.876 2.378 1.00 0.54 N ATOM 1318 CA ARG A 82 9.800 -1.937 2.423 1.00 0.74 C ATOM 1319 C ARG A 82 9.802 -2.689 1.088 1.00 0.81 C ATOM 1320 O ARG A 82 9.819 -3.915 1.053 1.00 1.47 O ATOM 1321 CB ARG A 82 9.492 -2.901 3.572 1.00 1.06 C ATOM 1322 CG ARG A 82 10.718 -3.439 4.312 1.00 1.64 C ATOM 1323 CD ARG A 82 11.677 -4.185 3.399 1.00 2.68 C ATOM 1324 NE ARG A 82 12.481 -5.166 4.132 1.00 3.63 N ATOM 1325 CZ ARG A 82 13.570 -5.758 3.637 1.00 4.53 C ATOM 1326 NH1 ARG A 82 14.078 -5.361 2.476 1.00 4.80 N ATOM 1327 NH2 ARG A 82 14.170 -6.731 4.315 1.00 5.46 N ATOM 0 H ARG A 82 7.965 -1.115 1.841 1.00 0.54 H new ATOM 0 HA ARG A 82 10.784 -1.500 2.592 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.848 -2.393 4.289 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.926 -3.744 3.177 1.00 1.06 H new ATOM 0 HG2 ARG A 82 11.244 -2.610 4.784 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.391 -4.105 5.110 1.00 1.64 H new ATOM 0 HD2 ARG A 82 11.112 -4.691 2.616 1.00 2.68 H new ATOM 0 HD3 ARG A 82 12.337 -3.471 2.905 1.00 2.68 H new ATOM 0 HE ARG A 82 12.191 -5.412 5.079 1.00 3.63 H new ATOM 0 HH11 ARG A 82 13.636 -4.601 1.959 1.00 4.80 H new ATOM 0 HH12 ARG A 82 14.910 -5.816 2.101 1.00 4.80 H new ATOM 0 HH21 ARG A 82 13.798 -7.028 5.217 1.00 5.46 H new ATOM 0 HH22 ARG A 82 15.002 -7.181 3.933 1.00 5.46 H new ATOM 1341 N LEU A 83 9.757 -1.920 0.000 1.00 0.79 N ATOM 1342 CA LEU A 83 9.828 -2.442 -1.371 1.00 0.86 C ATOM 1343 C LEU A 83 8.506 -3.085 -1.809 1.00 0.81 C ATOM 1344 O LEU A 83 7.783 -3.674 -1.012 1.00 1.21 O ATOM 1345 CB LEU A 83 11.001 -3.424 -1.539 1.00 1.23 C ATOM 1346 CG LEU A 83 11.691 -3.402 -2.912 1.00 1.13 C ATOM 1347 CD1 LEU A 83 10.879 -4.145 -3.958 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.923 -1.966 -3.362 1.00 1.28 C ATOM 0 H LEU A 83 9.669 -0.905 0.043 1.00 0.79 H new ATOM 0 HA LEU A 83 10.008 -1.589 -2.026 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.746 -3.207 -0.774 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.636 -4.434 -1.351 1.00 1.23 H new ATOM 0 HG LEU A 83 12.650 -3.909 -2.807 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.398 -4.108 -4.916 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.755 -5.184 -3.652 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.900 -3.677 -4.058 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.412 -1.964 -4.336 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.966 -1.449 -3.436 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.557 -1.455 -2.637 1.00 1.28 H new ATOM 1360 N ASN A 84 8.204 -2.931 -3.094 1.00 0.76 N ATOM 1361 CA ASN A 84 6.973 -3.450 -3.682 1.00 1.00 C ATOM 1362 C ASN A 84 7.114 -4.924 -4.053 1.00 1.25 C ATOM 1363 O ASN A 84 6.487 -5.785 -3.452 1.00 1.93 O ATOM 1364 CB ASN A 84 6.614 -2.624 -4.928 1.00 1.26 C ATOM 1365 CG ASN A 84 5.406 -3.158 -5.679 1.00 1.08 C ATOM 1366 OD1 ASN A 84 4.489 -3.726 -5.095 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.401 -2.978 -6.993 1.00 0.94 N ATOM 0 H ASN A 84 8.805 -2.443 -3.758 1.00 0.76 H new ATOM 0 HA ASN A 84 6.176 -3.367 -2.943 1.00 1.00 H new ATOM 0 HB2 ASN A 84 6.420 -1.594 -4.628 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.471 -2.604 -5.601 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.617 -3.316 -7.551 1.00 0.94 H new ATOM 0 HD22 ASN A 84 6.181 -2.501 -7.445 1.00 0.94 H new ATOM 1374 N GLY A 85 7.967 -5.211 -5.029 1.00 1.69 N ATOM 1375 CA GLY A 85 8.055 -6.558 -5.560 1.00 2.21 C ATOM 1376 C GLY A 85 9.085 -7.423 -4.859 1.00 1.96 C ATOM 1377 O GLY A 85 9.657 -8.318 -5.485 1.00 2.40 O ATOM 0 H GLY A 85 8.598 -4.537 -5.462 1.00 1.69 H new ATOM 0 HA2 GLY A 85 7.078 -7.035 -5.481 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.299 -6.506 -6.621 1.00 2.21 H new ATOM 1381 N PHE A 86 9.326 -7.142 -3.578 1.00 1.79 N ATOM 1382 CA PHE A 86 10.235 -7.931 -2.739 1.00 2.29 C ATOM 1383 C PHE A 86 11.699 -7.809 -3.181 1.00 2.14 C ATOM 1384 O PHE A 86 12.517 -7.212 -2.481 1.00 2.77 O ATOM 1385 CB PHE A 86 9.806 -9.408 -2.716 1.00 3.16 C ATOM 1386 CG PHE A 86 10.725 -10.305 -1.933 1.00 3.79 C ATOM 1387 CD1 PHE A 86 10.802 -10.204 -0.553 1.00 4.45 C ATOM 1388 CD2 PHE A 86 11.514 -11.245 -2.575 1.00 4.03 C ATOM 1389 CE1 PHE A 86 11.646 -11.023 0.171 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.360 -12.068 -1.857 1.00 4.80 C ATOM 1391 CZ PHE A 86 12.419 -11.969 -0.487 1.00 5.38 C ATOM 0 H PHE A 86 8.895 -6.357 -3.089 1.00 1.79 H new ATOM 0 HA PHE A 86 10.168 -7.522 -1.731 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.803 -9.477 -2.294 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.746 -9.773 -3.741 1.00 3.16 H new ATOM 0 HD1 PHE A 86 10.194 -9.475 -0.037 1.00 4.45 H new ATOM 0 HD2 PHE A 86 11.467 -11.336 -3.650 1.00 4.03 H new ATOM 0 HE1 PHE A 86 11.704 -10.928 1.245 1.00 5.26 H new ATOM 0 HE2 PHE A 86 12.976 -12.790 -2.373 1.00 4.80 H new ATOM 0 HZ PHE A 86 13.066 -12.626 0.076 1.00 5.38 H new ATOM 1401 N GLY A 87 12.017 -8.356 -4.345 1.00 1.90 N ATOM 1402 CA GLY A 87 13.400 -8.471 -4.769 1.00 2.08 C ATOM 1403 C GLY A 87 13.927 -7.245 -5.488 1.00 1.87 C ATOM 1404 O GLY A 87 14.392 -7.337 -6.623 1.00 2.30 O ATOM 0 H GLY A 87 11.337 -8.725 -5.009 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.023 -8.663 -3.895 1.00 2.08 H new ATOM 0 HA3 GLY A 87 13.497 -9.335 -5.426 1.00 2.08 H new ATOM 1408 N ARG A 88 13.831 -6.099 -4.841 1.00 1.33 N ATOM 1409 CA ARG A 88 14.460 -4.888 -5.311 1.00 1.18 C ATOM 1410 C ARG A 88 15.021 -4.135 -4.117 1.00 1.09 C ATOM 1411 O ARG A 88 14.939 -4.617 -2.990 1.00 1.21 O ATOM 1412 CB ARG A 88 13.454 -4.036 -6.063 1.00 0.98 C ATOM 1413 CG ARG A 88 13.864 -3.723 -7.482 1.00 1.64 C ATOM 1414 CD ARG A 88 12.689 -3.168 -8.249 1.00 2.32 C ATOM 1415 NE ARG A 88 11.641 -4.180 -8.414 1.00 3.00 N ATOM 1416 CZ ARG A 88 10.820 -4.257 -9.463 1.00 3.96 C ATOM 1417 NH1 ARG A 88 10.936 -3.422 -10.482 1.00 4.44 N ATOM 1418 NH2 ARG A 88 9.896 -5.206 -9.503 1.00 4.77 N ATOM 0 H ARG A 88 13.311 -5.986 -3.971 1.00 1.33 H new ATOM 0 HA ARG A 88 15.272 -5.131 -5.997 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.493 -4.551 -6.077 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.307 -3.101 -5.522 1.00 0.98 H new ATOM 0 HG2 ARG A 88 14.682 -3.002 -7.482 1.00 1.64 H new ATOM 0 HG3 ARG A 88 14.234 -4.625 -7.970 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.284 -2.303 -7.724 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.021 -2.821 -9.227 1.00 2.32 H new ATOM 0 HE ARG A 88 11.532 -4.874 -7.675 1.00 3.00 H new ATOM 0 HH11 ARG A 88 11.662 -2.705 -10.474 1.00 4.44 H new ATOM 0 HH12 ARG A 88 10.300 -3.495 -11.276 1.00 4.44 H new ATOM 0 HH21 ARG A 88 9.815 -5.872 -8.735 1.00 4.77 H new ATOM 0 HH22 ARG A 88 9.265 -5.270 -10.302 1.00 4.77 H new ATOM 1432 N ILE A 89 15.563 -2.958 -4.348 1.00 1.08 N ATOM 1433 CA ILE A 89 16.253 -2.237 -3.287 1.00 1.08 C ATOM 1434 C ILE A 89 15.309 -1.280 -2.553 1.00 1.04 C ATOM 1435 O ILE A 89 14.620 -0.463 -3.169 1.00 1.15 O ATOM 1436 CB ILE A 89 17.501 -1.493 -3.844 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.289 -0.779 -2.726 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.113 -0.519 -4.949 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.681 0.525 -2.243 1.00 1.70 C ATOM 0 H ILE A 89 15.543 -2.480 -5.249 1.00 1.08 H new ATOM 0 HA ILE A 89 16.599 -2.968 -2.557 1.00 1.08 H new ATOM 0 HB ILE A 89 18.160 -2.246 -4.275 1.00 1.29 H new ATOM 0 HG12 ILE A 89 18.379 -1.456 -1.877 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.299 -0.580 -3.084 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.005 -0.014 -5.319 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.640 -1.065 -5.766 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.415 0.220 -4.554 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.307 0.950 -1.458 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.616 1.226 -3.075 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.682 0.337 -1.849 1.00 1.70 H new ATOM 1451 N ASP A 90 15.283 -1.401 -1.228 1.00 1.05 N ATOM 1452 CA ASP A 90 14.543 -0.479 -0.372 1.00 1.15 C ATOM 1453 C ASP A 90 15.416 -0.093 0.822 1.00 1.01 C ATOM 1454 O ASP A 90 16.378 -0.791 1.131 1.00 1.14 O ATOM 1455 CB ASP A 90 13.234 -1.110 0.112 1.00 1.54 C ATOM 1456 CG ASP A 90 13.451 -2.193 1.150 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.485 -1.868 2.352 1.00 2.64 O ATOM 1458 OD2 ASP A 90 13.580 -3.374 0.766 1.00 3.18 O ATOM 0 H ASP A 90 15.772 -2.138 -0.720 1.00 1.05 H new ATOM 0 HA ASP A 90 14.291 0.412 -0.947 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.596 -0.333 0.533 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.703 -1.532 -0.741 1.00 1.54 H new ATOM 1463 N PRO A 91 15.124 1.038 1.485 1.00 1.32 N ATOM 1464 CA PRO A 91 15.908 1.499 2.622 1.00 1.52 C ATOM 1465 C PRO A 91 15.400 0.995 3.978 1.00 1.24 C ATOM 1466 O PRO A 91 16.186 0.867 4.910 1.00 1.58 O ATOM 1467 CB PRO A 91 15.772 3.020 2.533 1.00 2.16 C ATOM 1468 CG PRO A 91 14.547 3.290 1.708 1.00 2.36 C ATOM 1469 CD PRO A 91 14.046 1.973 1.164 1.00 1.92 C ATOM 0 HA PRO A 91 16.931 1.127 2.574 1.00 1.52 H new ATOM 0 HB2 PRO A 91 15.676 3.460 3.526 1.00 2.16 H new ATOM 0 HB3 PRO A 91 16.655 3.462 2.072 1.00 2.16 H new ATOM 0 HG2 PRO A 91 13.778 3.768 2.314 1.00 2.36 H new ATOM 0 HG3 PRO A 91 14.781 3.974 0.892 1.00 2.36 H new ATOM 0 HD2 PRO A 91 13.106 1.678 1.631 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.866 2.025 0.090 1.00 1.92 H new ATOM 1477 N ASP A 92 14.084 0.751 4.073 1.00 1.06 N ATOM 1478 CA ASP A 92 13.391 0.285 5.304 1.00 1.34 C ATOM 1479 C ASP A 92 13.612 1.182 6.538 1.00 1.18 C ATOM 1480 O ASP A 92 12.988 0.971 7.574 1.00 1.61 O ATOM 1481 CB ASP A 92 13.745 -1.182 5.646 1.00 1.93 C ATOM 1482 CG ASP A 92 15.013 -1.359 6.473 1.00 2.60 C ATOM 1483 OD1 ASP A 92 16.067 -1.717 5.906 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.975 -1.091 7.692 1.00 2.99 O ATOM 0 H ASP A 92 13.450 0.872 3.283 1.00 1.06 H new ATOM 0 HA ASP A 92 12.331 0.352 5.059 1.00 1.34 H new ATOM 0 HB2 ASP A 92 12.910 -1.625 6.188 1.00 1.93 H new ATOM 0 HB3 ASP A 92 13.854 -1.741 4.716 1.00 1.93 H new ATOM 1489 N ASN A 93 14.455 2.199 6.427 1.00 1.06 N ATOM 1490 CA ASN A 93 14.814 3.024 7.582 1.00 1.26 C ATOM 1491 C ASN A 93 13.742 4.056 7.908 1.00 1.04 C ATOM 1492 O ASN A 93 13.686 4.574 9.023 1.00 1.49 O ATOM 1493 CB ASN A 93 16.164 3.698 7.347 1.00 1.65 C ATOM 1494 CG ASN A 93 17.321 2.816 7.777 1.00 2.22 C ATOM 1495 OD1 ASN A 93 17.827 2.940 8.892 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.729 1.899 6.915 1.00 2.21 N ATOM 0 H ASN A 93 14.904 2.476 5.554 1.00 1.06 H new ATOM 0 HA ASN A 93 14.891 2.365 8.447 1.00 1.26 H new ATOM 0 HB2 ASN A 93 16.268 3.943 6.290 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.201 4.638 7.897 1.00 1.65 H new ATOM 0 HD21 ASN A 93 18.487 1.265 7.166 1.00 2.21 H new ATOM 0 HD22 ASN A 93 17.285 1.826 6.000 1.00 2.21 H new ATOM 1503 N SER A 94 12.899 4.350 6.937 1.00 0.68 N ATOM 1504 CA SER A 94 11.760 5.224 7.150 1.00 0.77 C ATOM 1505 C SER A 94 10.689 4.919 6.115 1.00 0.72 C ATOM 1506 O SER A 94 9.839 4.056 6.331 1.00 1.22 O ATOM 1507 CB SER A 94 12.177 6.702 7.088 1.00 1.19 C ATOM 1508 OG SER A 94 12.978 6.969 5.945 1.00 1.85 O ATOM 0 H SER A 94 12.982 3.993 5.985 1.00 0.68 H new ATOM 0 HA SER A 94 11.356 5.042 8.146 1.00 0.77 H new ATOM 0 HB2 SER A 94 11.287 7.332 7.065 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.730 6.963 7.990 1.00 1.19 H new ATOM 0 HG SER A 94 13.225 7.917 5.933 1.00 1.85 H new ATOM 1514 N SER A 95 10.764 5.615 4.982 1.00 0.60 N ATOM 1515 CA SER A 95 9.884 5.374 3.852 1.00 0.67 C ATOM 1516 C SER A 95 8.407 5.458 4.256 1.00 0.70 C ATOM 1517 O SER A 95 7.538 4.890 3.598 1.00 1.27 O ATOM 1518 CB SER A 95 10.204 4.000 3.280 1.00 0.93 C ATOM 1519 OG SER A 95 11.603 3.812 3.148 1.00 1.44 O ATOM 0 H SER A 95 11.440 6.363 4.827 1.00 0.60 H new ATOM 0 HA SER A 95 10.050 6.145 3.099 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.790 3.228 3.929 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.726 3.888 2.307 1.00 0.93 H new ATOM 0 HG SER A 95 11.989 4.565 2.653 1.00 1.44 H new ATOM 1525 N GLU A 96 8.139 6.210 5.311 1.00 0.48 N ATOM 1526 CA GLU A 96 6.828 6.255 5.937 1.00 0.45 C ATOM 1527 C GLU A 96 5.841 7.114 5.149 1.00 0.45 C ATOM 1528 O GLU A 96 6.211 8.137 4.563 1.00 0.60 O ATOM 1529 CB GLU A 96 6.987 6.798 7.358 1.00 0.56 C ATOM 1530 CG GLU A 96 5.691 6.930 8.132 1.00 1.11 C ATOM 1531 CD GLU A 96 5.909 7.558 9.489 1.00 1.30 C ATOM 1532 OE1 GLU A 96 5.906 8.803 9.579 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.105 6.810 10.466 1.00 1.33 O ATOM 0 H GLU A 96 8.830 6.811 5.760 1.00 0.48 H new ATOM 0 HA GLU A 96 6.418 5.245 5.957 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.659 6.142 7.910 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.466 7.776 7.308 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.986 7.535 7.561 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.239 5.946 8.255 1.00 1.11 H new ATOM 1540 N PHE A 97 4.591 6.672 5.110 1.00 0.39 N ATOM 1541 CA PHE A 97 3.510 7.455 4.533 1.00 0.40 C ATOM 1542 C PHE A 97 2.250 7.325 5.374 1.00 0.41 C ATOM 1543 O PHE A 97 1.947 6.252 5.903 1.00 0.53 O ATOM 1544 CB PHE A 97 3.227 7.054 3.078 1.00 0.51 C ATOM 1545 CG PHE A 97 3.256 5.575 2.806 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.457 4.950 2.516 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.094 4.811 2.824 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.509 3.600 2.248 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.141 3.456 2.556 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.350 2.850 2.268 1.00 0.63 C ATOM 0 H PHE A 97 4.300 5.765 5.476 1.00 0.39 H new ATOM 0 HA PHE A 97 3.828 8.498 4.530 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.248 7.440 2.795 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.960 7.540 2.434 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.368 5.530 2.500 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.148 5.280 3.049 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.454 3.129 2.023 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.234 2.871 2.572 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.388 1.791 2.059 1.00 0.63 H new ATOM 1560 N THR A 98 1.538 8.430 5.514 1.00 0.35 N ATOM 1561 CA THR A 98 0.303 8.447 6.272 1.00 0.36 C ATOM 1562 C THR A 98 -0.895 8.305 5.339 1.00 0.33 C ATOM 1563 O THR A 98 -1.170 9.193 4.527 1.00 0.36 O ATOM 1564 CB THR A 98 0.170 9.748 7.089 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.337 9.926 7.906 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.071 9.713 7.971 1.00 0.40 C ATOM 0 H THR A 98 1.797 9.330 5.110 1.00 0.35 H new ATOM 0 HA THR A 98 0.325 7.604 6.962 1.00 0.36 H new ATOM 0 HB THR A 98 0.075 10.582 6.394 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.251 10.754 8.423 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.142 10.642 8.537 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.958 9.600 7.347 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.003 8.872 8.661 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.583 7.176 5.444 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.783 6.928 4.665 1.00 0.35 C ATOM 1576 C VAL A 99 -3.984 7.543 5.364 1.00 0.31 C ATOM 1577 O VAL A 99 -4.402 7.067 6.413 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.041 5.412 4.473 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.332 5.176 3.708 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.880 4.741 3.755 1.00 0.87 C ATOM 0 H VAL A 99 -1.325 6.412 6.068 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.636 7.381 3.684 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.134 4.968 5.464 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.492 4.105 3.586 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.167 5.606 4.261 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.265 5.647 2.727 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.091 3.678 3.636 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.747 5.197 2.774 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -0.969 4.866 4.340 1.00 0.87 H new ATOM 1590 N THR A 100 -4.526 8.605 4.795 1.00 0.31 N ATOM 1591 CA THR A 100 -5.703 9.239 5.357 1.00 0.30 C ATOM 1592 C THR A 100 -6.931 8.951 4.507 1.00 0.26 C ATOM 1593 O THR A 100 -7.085 9.494 3.417 1.00 0.28 O ATOM 1594 CB THR A 100 -5.504 10.762 5.478 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.323 11.030 6.245 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.709 11.418 6.137 1.00 0.36 C ATOM 0 H THR A 100 -4.170 9.045 3.946 1.00 0.31 H new ATOM 0 HA THR A 100 -5.856 8.824 6.353 1.00 0.30 H new ATOM 0 HB THR A 100 -5.395 11.179 4.477 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.195 11.999 6.321 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.543 12.493 6.211 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.600 11.228 5.538 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.848 11.003 7.135 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.796 8.084 5.000 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.028 7.767 4.303 1.00 0.24 C ATOM 1606 C PHE A 101 -10.105 8.787 4.655 1.00 0.25 C ATOM 1607 O PHE A 101 -10.557 8.859 5.802 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.507 6.361 4.661 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.764 5.243 3.994 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.876 5.036 2.629 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -7.977 4.380 4.735 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.214 3.991 2.016 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.309 3.335 4.126 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.429 3.140 2.765 1.00 0.29 C ATOM 0 H PHE A 101 -7.668 7.587 5.881 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.835 7.804 3.231 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.431 6.233 5.741 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.563 6.278 4.404 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.489 5.700 2.037 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.884 4.525 5.801 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.311 3.840 0.951 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.693 2.671 4.715 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.909 2.323 2.288 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.511 9.576 3.676 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.547 10.574 3.883 1.00 0.31 C ATOM 1626 C VAL A 102 -12.907 9.975 3.556 1.00 0.30 C ATOM 1627 O VAL A 102 -13.208 9.691 2.396 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.313 11.833 3.021 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.391 12.874 3.279 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.930 12.415 3.282 1.00 0.54 C ATOM 0 H VAL A 102 -10.138 9.545 2.727 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.513 10.877 4.930 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.368 11.540 1.973 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.205 13.752 2.660 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.367 12.456 3.032 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.375 13.161 4.330 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.786 13.301 2.664 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.842 12.687 4.334 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.171 11.673 3.035 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.710 9.757 4.587 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.010 9.135 4.413 1.00 0.35 C ATOM 1642 C ALA A 103 -16.038 10.145 3.938 1.00 0.39 C ATOM 1643 O ALA A 103 -16.257 11.181 4.572 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.469 8.483 5.707 1.00 0.44 C ATOM 0 H ALA A 103 -13.483 10.002 5.551 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.913 8.363 3.649 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.445 8.022 5.556 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.750 7.720 6.005 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.541 9.238 6.489 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.662 9.831 2.821 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.726 10.644 2.273 1.00 0.57 C ATOM 1652 C ASP A 104 -19.055 9.939 2.490 1.00 0.64 C ATOM 1653 O ASP A 104 -19.217 8.777 2.105 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.497 10.904 0.780 1.00 0.58 C ATOM 1655 CG ASP A 104 -16.320 11.820 0.506 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.412 13.024 0.825 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -15.310 11.346 -0.055 1.00 2.03 O ATOM 0 H ASP A 104 -16.444 9.003 2.267 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.738 11.608 2.782 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -17.334 9.953 0.273 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -18.398 11.343 0.352 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.992 10.638 3.122 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.278 10.049 3.478 1.00 0.83 C ATOM 1664 C GLY A 105 -22.167 9.742 2.283 1.00 1.06 C ATOM 1665 O GLY A 105 -23.185 10.402 2.061 1.00 1.97 O ATOM 0 H GLY A 105 -19.885 11.614 3.398 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.103 9.128 4.034 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.806 10.730 4.146 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.784 8.723 1.536 1.00 1.24 N ATOM 1670 CA GLN A 106 -22.534 8.249 0.382 1.00 2.07 C ATOM 1671 C GLN A 106 -21.931 6.918 -0.060 1.00 1.73 C ATOM 1672 O GLN A 106 -22.043 6.514 -1.217 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.460 9.280 -0.759 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.357 8.959 -1.947 1.00 3.83 C ATOM 1675 CD GLN A 106 -23.144 9.891 -3.126 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -23.300 9.492 -4.281 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -22.800 11.137 -2.850 1.00 4.93 N ATOM 0 H GLN A 106 -20.931 8.192 1.714 1.00 1.24 H new ATOM 0 HA GLN A 106 -23.584 8.114 0.643 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.732 10.260 -0.367 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.429 9.350 -1.105 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.174 7.933 -2.266 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -24.399 9.014 -1.632 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -22.680 11.430 -1.880 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -22.654 11.805 -3.607 1.00 4.93 H new ATOM 1686 N LYS A 107 -21.308 6.223 0.896 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.487 5.056 0.590 1.00 0.48 C ATOM 1688 C LYS A 107 -19.391 5.454 -0.380 1.00 0.38 C ATOM 1689 O LYS A 107 -19.161 4.809 -1.396 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.330 3.897 0.056 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.146 3.230 1.148 1.00 1.55 C ATOM 1692 CD LYS A 107 -22.863 1.990 0.649 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.494 1.230 1.801 1.00 2.95 C ATOM 1694 NZ LYS A 107 -24.217 0.017 1.342 1.00 3.53 N ATOM 0 H LYS A 107 -21.359 6.452 1.889 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.025 4.697 1.510 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.999 4.265 -0.722 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -20.677 3.159 -0.409 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -21.491 2.960 1.976 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -22.877 3.939 1.538 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -23.632 2.274 -0.069 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -22.159 1.344 0.124 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -22.720 0.942 2.512 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.186 1.885 2.331 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -24.632 -0.471 2.161 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.973 0.292 0.683 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -23.553 -0.621 0.859 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.723 6.543 -0.038 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.617 7.058 -0.816 1.00 0.29 C ATOM 1710 C LYS A 108 -16.446 7.315 0.117 1.00 0.27 C ATOM 1711 O LYS A 108 -16.642 7.602 1.296 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.027 8.356 -1.519 1.00 0.33 C ATOM 1713 CG LYS A 108 -17.007 8.868 -2.522 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.298 10.309 -2.920 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.504 10.726 -4.148 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.981 10.025 -5.369 1.00 2.44 N ATOM 0 H LYS A 108 -18.937 7.095 0.793 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.330 6.332 -1.577 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.975 8.195 -2.032 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.198 9.126 -0.766 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.007 8.802 -2.093 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -17.016 8.234 -3.409 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.363 10.423 -3.120 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.057 10.972 -2.089 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -16.589 11.803 -4.289 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.448 10.508 -3.991 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -16.634 10.524 -6.213 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.622 9.049 -5.372 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -18.021 10.011 -5.378 1.00 2.44 H new ATOM 1730 N THR A 109 -15.240 7.169 -0.386 1.00 0.26 N ATOM 1731 CA THR A 109 -14.056 7.459 0.402 1.00 0.25 C ATOM 1732 C THR A 109 -12.882 7.806 -0.493 1.00 0.26 C ATOM 1733 O THR A 109 -12.397 6.973 -1.257 1.00 0.35 O ATOM 1734 CB THR A 109 -13.685 6.277 1.321 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.704 6.102 2.307 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.346 6.503 2.010 1.00 0.42 C ATOM 0 H THR A 109 -15.050 6.851 -1.337 1.00 0.26 H new ATOM 0 HA THR A 109 -14.288 8.320 1.029 1.00 0.25 H new ATOM 0 HB THR A 109 -13.601 5.383 0.704 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.362 6.825 2.230 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.117 5.650 2.649 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.564 6.613 1.259 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.397 7.407 2.616 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.446 9.045 -0.409 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.283 9.482 -1.143 1.00 0.27 C ATOM 1746 C ARG A 110 -10.089 9.502 -0.195 1.00 0.26 C ATOM 1747 O ARG A 110 -10.038 10.301 0.736 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.543 10.864 -1.753 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.575 11.265 -2.862 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.191 11.587 -2.324 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.242 12.604 -1.273 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.201 13.345 -0.893 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -7.027 13.211 -1.496 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -8.339 14.228 0.090 1.00 2.59 N ATOM 0 H ARG A 110 -12.883 9.768 0.163 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.068 8.797 -1.963 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.558 10.885 -2.150 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.495 11.611 -0.960 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.502 10.456 -3.589 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -10.969 12.133 -3.390 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.733 10.679 -1.930 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -8.556 11.937 -3.138 1.00 0.62 H new ATOM 0 HE ARG A 110 -10.133 12.756 -0.800 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -6.917 12.538 -2.255 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -6.234 13.781 -1.201 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -9.241 14.339 0.553 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.543 14.795 0.381 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.143 8.603 -0.411 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.977 8.519 0.462 1.00 0.27 C ATOM 1770 C VAL A 111 -6.896 9.487 0.015 1.00 0.29 C ATOM 1771 O VAL A 111 -6.712 9.708 -1.186 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.370 7.104 0.500 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.814 6.735 -0.855 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.273 7.016 1.543 1.00 0.33 C ATOM 0 H VAL A 111 -9.155 7.926 -1.174 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.330 8.776 1.461 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.162 6.404 0.766 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.388 5.732 -0.813 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.614 6.759 -1.595 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.038 7.447 -1.136 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.859 6.008 1.552 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.485 7.730 1.303 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.685 7.247 2.525 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.179 10.029 0.991 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.076 10.938 0.750 1.00 0.37 C ATOM 1786 C ASP A 112 -3.846 10.467 1.524 1.00 0.37 C ATOM 1787 O ASP A 112 -3.874 10.378 2.749 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.471 12.341 1.209 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.522 13.413 0.724 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.388 13.477 1.244 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.899 14.193 -0.177 1.00 1.38 O ATOM 0 H ASP A 112 -6.352 9.846 1.979 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.842 10.957 -0.314 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.476 12.565 0.851 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.509 12.363 2.298 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.787 10.120 0.810 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.532 9.739 1.445 1.00 0.41 C ATOM 1798 C VAL A 113 -0.525 10.854 1.322 1.00 0.43 C ATOM 1799 O VAL A 113 -0.293 11.365 0.228 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.935 8.437 0.840 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.577 8.519 0.656 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.267 7.257 1.724 1.00 0.77 C ATOM 0 H VAL A 113 -2.770 10.094 -0.210 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.753 9.549 2.495 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.383 8.310 -0.146 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.943 7.584 0.231 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.818 9.342 -0.016 1.00 0.91 H new ATOM 0 HG13 VAL A 113 1.052 8.689 1.622 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -0.845 6.349 1.293 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -0.846 7.417 2.717 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.349 7.153 1.801 1.00 0.77 H new ATOM 1812 N GLU A 114 0.058 11.232 2.445 1.00 0.47 N ATOM 1813 CA GLU A 114 1.169 12.154 2.428 1.00 0.55 C ATOM 1814 C GLU A 114 2.458 11.387 2.659 1.00 0.60 C ATOM 1815 O GLU A 114 2.665 10.783 3.716 1.00 0.62 O ATOM 1816 CB GLU A 114 1.000 13.259 3.464 1.00 0.67 C ATOM 1817 CG GLU A 114 2.098 14.306 3.386 1.00 1.31 C ATOM 1818 CD GLU A 114 1.760 15.572 4.143 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.141 15.685 5.328 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.117 16.467 3.556 1.00 2.05 O ATOM 0 H GLU A 114 -0.220 10.915 3.374 1.00 0.47 H new ATOM 0 HA GLU A 114 1.205 12.639 1.452 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.033 13.741 3.321 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.993 12.819 4.461 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.022 13.886 3.784 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.284 14.553 2.341 1.00 1.31 H new ATOM 1827 N HIS A 115 3.295 11.387 1.643 1.00 0.70 N ATOM 1828 CA HIS A 115 4.544 10.657 1.665 1.00 0.80 C ATOM 1829 C HIS A 115 5.657 11.574 1.190 1.00 0.89 C ATOM 1830 O HIS A 115 5.546 12.183 0.133 1.00 1.17 O ATOM 1831 CB HIS A 115 4.419 9.436 0.748 1.00 0.92 C ATOM 1832 CG HIS A 115 5.600 8.521 0.721 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.233 8.055 1.849 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.248 7.969 -0.325 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.220 7.258 1.493 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.252 7.184 0.177 1.00 1.47 N ATOM 0 H HIS A 115 3.127 11.896 0.775 1.00 0.70 H new ATOM 0 HA HIS A 115 4.775 10.317 2.675 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.545 8.862 1.056 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.230 9.785 -0.267 1.00 0.92 H new ATOM 0 HD1 HIS A 115 5.979 8.289 2.809 1.00 1.59 H new ATOM 0 HD2 HIS A 115 6.017 8.119 -1.369 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.892 6.749 2.168 1.00 1.64 H new ATOM 1845 N THR A 116 6.694 11.710 1.993 1.00 0.90 N ATOM 1846 CA THR A 116 7.855 12.496 1.611 1.00 1.08 C ATOM 1847 C THR A 116 8.924 12.416 2.694 1.00 0.83 C ATOM 1848 O THR A 116 8.827 13.047 3.750 1.00 1.67 O ATOM 1849 CB THR A 116 7.490 13.975 1.306 1.00 1.92 C ATOM 1850 OG1 THR A 116 8.675 14.732 1.015 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.725 14.619 2.459 1.00 2.51 C ATOM 0 H THR A 116 6.758 11.285 2.918 1.00 0.90 H new ATOM 0 HA THR A 116 8.250 12.070 0.688 1.00 1.08 H new ATOM 0 HB THR A 116 6.838 13.978 0.432 1.00 1.92 H new ATOM 0 HG1 THR A 116 8.425 15.583 0.599 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.489 15.653 2.206 1.00 2.51 H new ATOM 0 HG22 THR A 116 5.801 14.068 2.635 1.00 2.51 H new ATOM 0 HG23 THR A 116 7.338 14.597 3.360 1.00 2.51 H new ATOM 1859 N HIS A 117 9.930 11.597 2.443 1.00 0.72 N ATOM 1860 CA HIS A 117 11.016 11.424 3.394 1.00 1.13 C ATOM 1861 C HIS A 117 12.180 10.699 2.739 1.00 0.90 C ATOM 1862 O HIS A 117 13.250 11.267 2.547 1.00 0.97 O ATOM 1863 CB HIS A 117 10.534 10.638 4.623 1.00 1.98 C ATOM 1864 CG HIS A 117 11.440 10.741 5.818 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.974 10.727 7.113 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.788 10.848 5.910 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.991 10.824 7.947 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.105 10.898 7.244 1.00 2.63 N ATOM 0 H HIS A 117 10.018 11.042 1.592 1.00 0.72 H new ATOM 0 HA HIS A 117 11.350 12.410 3.717 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.542 10.995 4.902 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.430 9.588 4.350 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.484 10.887 5.085 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.923 10.840 9.025 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.046 10.979 7.629 1.00 2.63 H new ATOM 1877 N PHE A 118 11.960 9.438 2.403 1.00 0.76 N ATOM 1878 CA PHE A 118 13.013 8.609 1.840 1.00 0.76 C ATOM 1879 C PHE A 118 13.167 8.863 0.345 1.00 0.65 C ATOM 1880 O PHE A 118 14.234 8.645 -0.217 1.00 0.74 O ATOM 1881 CB PHE A 118 12.711 7.131 2.114 1.00 0.97 C ATOM 1882 CG PHE A 118 12.023 6.399 0.993 1.00 1.74 C ATOM 1883 CD1 PHE A 118 12.749 5.578 0.145 1.00 2.35 C ATOM 1884 CD2 PHE A 118 10.660 6.515 0.797 1.00 2.32 C ATOM 1885 CE1 PHE A 118 12.128 4.889 -0.875 1.00 3.18 C ATOM 1886 CE2 PHE A 118 10.033 5.829 -0.225 1.00 3.21 C ATOM 1887 CZ PHE A 118 10.767 5.014 -1.060 1.00 3.54 C ATOM 0 H PHE A 118 11.062 8.966 2.510 1.00 0.76 H new ATOM 0 HA PHE A 118 13.957 8.870 2.318 1.00 0.76 H new ATOM 0 HB2 PHE A 118 13.648 6.621 2.339 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.089 7.063 3.007 1.00 0.97 H new ATOM 0 HD1 PHE A 118 13.815 5.477 0.285 1.00 2.35 H new ATOM 0 HD2 PHE A 118 10.079 7.149 1.450 1.00 2.32 H new ATOM 0 HE1 PHE A 118 12.706 4.252 -1.528 1.00 3.18 H new ATOM 0 HE2 PHE A 118 8.968 5.931 -0.370 1.00 3.21 H new ATOM 0 HZ PHE A 118 10.277 4.475 -1.857 1.00 3.54 H new ATOM 1897 N ASP A 119 12.098 9.330 -0.276 1.00 0.66 N ATOM 1898 CA ASP A 119 12.040 9.562 -1.713 1.00 0.75 C ATOM 1899 C ASP A 119 12.803 10.817 -2.102 1.00 0.74 C ATOM 1900 O ASP A 119 13.680 10.792 -2.966 1.00 0.83 O ATOM 1901 CB ASP A 119 10.576 9.715 -2.112 1.00 0.94 C ATOM 1902 CG ASP A 119 9.723 10.152 -0.929 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.813 9.398 -0.540 1.00 1.75 O ATOM 1904 OD2 ASP A 119 10.018 11.208 -0.331 1.00 1.81 O ATOM 0 H ASP A 119 11.232 9.563 0.209 1.00 0.66 H new ATOM 0 HA ASP A 119 12.500 8.719 -2.228 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.490 10.447 -2.915 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.202 8.768 -2.502 1.00 0.94 H new ATOM 1909 N ARG A 120 12.468 11.911 -1.434 1.00 0.76 N ATOM 1910 CA ARG A 120 13.108 13.202 -1.670 1.00 0.89 C ATOM 1911 C ARG A 120 14.578 13.155 -1.273 1.00 0.83 C ATOM 1912 O ARG A 120 15.368 14.018 -1.656 1.00 1.00 O ATOM 1913 CB ARG A 120 12.391 14.317 -0.900 1.00 1.07 C ATOM 1914 CG ARG A 120 12.581 14.262 0.608 1.00 1.50 C ATOM 1915 CD ARG A 120 11.898 15.436 1.292 1.00 1.71 C ATOM 1916 NE ARG A 120 12.327 15.595 2.681 1.00 2.15 N ATOM 1917 CZ ARG A 120 12.487 16.778 3.276 1.00 2.66 C ATOM 1918 NH1 ARG A 120 12.188 17.900 2.632 1.00 2.90 N ATOM 1919 NH2 ARG A 120 12.933 16.835 4.522 1.00 3.38 N ATOM 0 H ARG A 120 11.746 11.932 -0.714 1.00 0.76 H new ATOM 0 HA ARG A 120 13.040 13.418 -2.736 1.00 0.89 H new ATOM 0 HB2 ARG A 120 12.748 15.281 -1.264 1.00 1.07 H new ATOM 0 HB3 ARG A 120 11.325 14.267 -1.122 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.176 13.327 0.994 1.00 1.50 H new ATOM 0 HG3 ARG A 120 13.645 14.270 0.844 1.00 1.50 H new ATOM 0 HD2 ARG A 120 12.114 16.351 0.740 1.00 1.71 H new ATOM 0 HD3 ARG A 120 10.818 15.293 1.262 1.00 1.71 H new ATOM 0 HE ARG A 120 12.515 14.753 3.226 1.00 2.15 H new ATOM 0 HH11 ARG A 120 11.834 17.861 1.676 1.00 2.90 H new ATOM 0 HH12 ARG A 120 12.313 18.801 3.093 1.00 2.90 H new ATOM 0 HH21 ARG A 120 13.153 15.975 5.025 1.00 3.38 H new ATOM 0 HH22 ARG A 120 13.056 17.739 4.979 1.00 3.38 H new ATOM 1933 N MET A 121 14.920 12.138 -0.495 1.00 0.73 N ATOM 1934 CA MET A 121 16.216 12.034 0.168 1.00 0.91 C ATOM 1935 C MET A 121 17.352 11.660 -0.802 1.00 1.12 C ATOM 1936 O MET A 121 18.353 11.061 -0.402 1.00 1.41 O ATOM 1937 CB MET A 121 16.113 11.002 1.297 1.00 1.05 C ATOM 1938 CG MET A 121 17.294 11.000 2.259 1.00 1.28 C ATOM 1939 SD MET A 121 17.605 12.619 2.989 1.00 2.15 S ATOM 1940 CE MET A 121 16.081 12.894 3.893 1.00 2.43 C ATOM 0 H MET A 121 14.299 11.352 -0.303 1.00 0.73 H new ATOM 0 HA MET A 121 16.468 13.015 0.572 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.200 11.190 1.862 1.00 1.05 H new ATOM 0 HB3 MET A 121 16.017 10.009 0.857 1.00 1.05 H new ATOM 0 HG2 MET A 121 17.108 10.278 3.054 1.00 1.28 H new ATOM 0 HG3 MET A 121 18.187 10.668 1.730 1.00 1.28 H new ATOM 0 HE1 MET A 121 16.204 13.745 4.562 1.00 2.43 H new ATOM 0 HE2 MET A 121 15.273 13.098 3.190 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.839 12.006 4.476 1.00 2.43 H new ATOM 1950 N GLY A 122 17.209 11.985 -2.076 1.00 1.18 N ATOM 1951 CA GLY A 122 18.356 11.919 -2.956 1.00 1.61 C ATOM 1952 C GLY A 122 18.125 11.156 -4.238 1.00 1.21 C ATOM 1953 O GLY A 122 17.095 10.502 -4.414 1.00 1.30 O ATOM 0 H GLY A 122 16.338 12.288 -2.511 1.00 1.18 H new ATOM 0 HA2 GLY A 122 18.665 12.934 -3.204 1.00 1.61 H new ATOM 0 HA3 GLY A 122 19.183 11.456 -2.418 1.00 1.61 H new ATOM 1957 N THR A 123 19.119 11.233 -5.116 1.00 1.27 N ATOM 1958 CA THR A 123 19.065 10.621 -6.434 1.00 1.42 C ATOM 1959 C THR A 123 18.830 9.115 -6.353 1.00 1.27 C ATOM 1960 O THR A 123 17.890 8.596 -6.948 1.00 1.24 O ATOM 1961 CB THR A 123 20.378 10.886 -7.199 1.00 1.94 C ATOM 1962 OG1 THR A 123 20.765 12.259 -7.040 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.219 10.565 -8.677 1.00 2.58 C ATOM 0 H THR A 123 19.992 11.727 -4.929 1.00 1.27 H new ATOM 0 HA THR A 123 18.226 11.071 -6.964 1.00 1.42 H new ATOM 0 HB THR A 123 21.152 10.239 -6.787 1.00 1.94 H new ATOM 0 HG1 THR A 123 21.600 12.422 -7.526 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.158 10.760 -9.195 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.951 9.515 -8.795 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.434 11.190 -9.103 1.00 2.58 H new ATOM 1971 N LYS A 124 19.675 8.417 -5.599 1.00 1.28 N ATOM 1972 CA LYS A 124 19.586 6.965 -5.516 1.00 1.24 C ATOM 1973 C LYS A 124 18.320 6.540 -4.785 1.00 1.05 C ATOM 1974 O LYS A 124 17.779 5.468 -5.038 1.00 1.04 O ATOM 1975 CB LYS A 124 20.818 6.380 -4.824 1.00 1.43 C ATOM 1976 CG LYS A 124 22.122 6.682 -5.547 1.00 2.04 C ATOM 1977 CD LYS A 124 23.270 5.842 -5.009 1.00 2.45 C ATOM 1978 CE LYS A 124 23.012 4.359 -5.219 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.163 3.520 -4.794 1.00 3.80 N ATOM 0 H LYS A 124 20.423 8.830 -5.042 1.00 1.28 H new ATOM 0 HA LYS A 124 19.545 6.576 -6.533 1.00 1.24 H new ATOM 0 HB2 LYS A 124 20.875 6.773 -3.809 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.700 5.300 -4.741 1.00 1.43 H new ATOM 0 HG2 LYS A 124 22.000 6.491 -6.613 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.362 7.740 -5.438 1.00 2.04 H new ATOM 0 HD2 LYS A 124 24.197 6.127 -5.507 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.404 6.043 -3.946 1.00 2.45 H new ATOM 0 HE2 LYS A 124 22.124 4.064 -4.659 1.00 3.14 H new ATOM 0 HE3 LYS A 124 22.801 4.175 -6.272 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 23.940 2.517 -4.956 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 25.005 3.781 -5.345 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.350 3.674 -3.783 1.00 3.80 H new ATOM 1993 N HIS A 125 17.853 7.389 -3.882 1.00 0.96 N ATOM 1994 CA HIS A 125 16.623 7.134 -3.150 1.00 0.85 C ATOM 1995 C HIS A 125 15.405 7.195 -4.073 1.00 0.76 C ATOM 1996 O HIS A 125 14.560 6.305 -4.062 1.00 0.76 O ATOM 1997 CB HIS A 125 16.476 8.136 -2.010 1.00 0.85 C ATOM 1998 CG HIS A 125 17.367 7.850 -0.840 1.00 1.23 C ATOM 1999 ND1 HIS A 125 16.893 7.705 0.444 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.710 7.691 -0.763 1.00 1.80 C ATOM 2001 CE1 HIS A 125 17.906 7.468 1.260 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.018 7.453 0.551 1.00 2.12 N ATOM 0 H HIS A 125 18.312 8.267 -3.638 1.00 0.96 H new ATOM 0 HA HIS A 125 16.677 6.127 -2.735 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.694 9.136 -2.386 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.439 8.141 -1.674 1.00 0.85 H new ATOM 0 HD1 HIS A 125 15.914 7.770 0.722 1.00 1.80 H new ATOM 0 HD2 HIS A 125 19.409 7.742 -1.585 1.00 1.80 H new ATOM 0 HE1 HIS A 125 17.835 7.313 2.326 1.00 2.14 H new ATOM 2011 N ALA A 126 15.319 8.229 -4.882 1.00 0.77 N ATOM 2012 CA ALA A 126 14.209 8.344 -5.810 1.00 0.80 C ATOM 2013 C ALA A 126 14.386 7.375 -6.977 1.00 0.86 C ATOM 2014 O ALA A 126 13.416 6.974 -7.622 1.00 0.92 O ATOM 2015 CB ALA A 126 14.069 9.775 -6.291 1.00 0.92 C ATOM 0 H ALA A 126 15.993 8.994 -4.919 1.00 0.77 H new ATOM 0 HA ALA A 126 13.288 8.075 -5.293 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.232 9.845 -6.986 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.888 10.429 -5.438 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.986 10.081 -6.795 1.00 0.92 H new ATOM 2021 N LYS A 127 15.631 6.983 -7.233 1.00 0.92 N ATOM 2022 CA LYS A 127 15.920 6.011 -8.277 1.00 1.05 C ATOM 2023 C LYS A 127 15.523 4.607 -7.829 1.00 0.97 C ATOM 2024 O LYS A 127 15.016 3.821 -8.624 1.00 1.04 O ATOM 2025 CB LYS A 127 17.401 6.030 -8.662 1.00 1.26 C ATOM 2026 CG LYS A 127 17.692 5.269 -9.946 1.00 1.55 C ATOM 2027 CD LYS A 127 19.182 5.175 -10.227 1.00 1.93 C ATOM 2028 CE LYS A 127 19.878 4.221 -9.268 1.00 2.38 C ATOM 2029 NZ LYS A 127 21.323 4.084 -9.582 1.00 2.83 N ATOM 0 H LYS A 127 16.452 7.324 -6.732 1.00 0.92 H new ATOM 0 HA LYS A 127 15.333 6.287 -9.153 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.727 7.064 -8.777 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.987 5.599 -7.850 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.272 4.265 -9.876 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.196 5.764 -10.781 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.338 4.838 -11.252 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.631 6.165 -10.145 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.760 4.582 -8.246 1.00 2.38 H new ATOM 0 HE3 LYS A 127 19.400 3.242 -9.317 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 21.764 3.426 -8.908 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 21.435 3.716 -10.548 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 21.784 5.014 -9.510 1.00 2.83 H new ATOM 2043 N ARG A 128 15.748 4.295 -6.553 1.00 0.94 N ATOM 2044 CA ARG A 128 15.358 2.995 -6.015 1.00 1.00 C ATOM 2045 C ARG A 128 13.840 2.880 -5.998 1.00 0.97 C ATOM 2046 O ARG A 128 13.287 1.785 -6.091 1.00 1.09 O ATOM 2047 CB ARG A 128 15.952 2.761 -4.617 1.00 1.14 C ATOM 2048 CG ARG A 128 15.459 3.730 -3.558 1.00 1.11 C ATOM 2049 CD ARG A 128 16.327 3.711 -2.313 1.00 1.34 C ATOM 2050 NE ARG A 128 17.748 3.836 -2.632 1.00 1.59 N ATOM 2051 CZ ARG A 128 18.725 3.770 -1.728 1.00 1.95 C ATOM 2052 NH1 ARG A 128 18.435 3.670 -0.437 1.00 2.14 N ATOM 2053 NH2 ARG A 128 19.990 3.797 -2.118 1.00 2.59 N ATOM 0 H ARG A 128 16.194 4.918 -5.880 1.00 0.94 H new ATOM 0 HA ARG A 128 15.761 2.217 -6.663 1.00 1.00 H new ATOM 0 HB2 ARG A 128 15.717 1.745 -4.301 1.00 1.14 H new ATOM 0 HB3 ARG A 128 17.038 2.832 -4.680 1.00 1.14 H new ATOM 0 HG2 ARG A 128 15.442 4.739 -3.971 1.00 1.11 H new ATOM 0 HG3 ARG A 128 14.433 3.479 -3.287 1.00 1.11 H new ATOM 0 HD2 ARG A 128 16.031 4.526 -1.653 1.00 1.34 H new ATOM 0 HD3 ARG A 128 16.158 2.782 -1.768 1.00 1.34 H new ATOM 0 HE ARG A 128 18.008 3.983 -3.607 1.00 1.59 H new ATOM 0 HH11 ARG A 128 17.462 3.643 -0.134 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.186 3.620 0.252 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.216 3.868 -3.110 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.738 3.747 -1.426 1.00 2.59 H new ATOM 2067 N VAL A 129 13.170 4.022 -5.876 1.00 0.91 N ATOM 2068 CA VAL A 129 11.728 4.075 -6.074 1.00 1.04 C ATOM 2069 C VAL A 129 11.394 3.748 -7.522 1.00 1.04 C ATOM 2070 O VAL A 129 10.513 2.931 -7.807 1.00 1.19 O ATOM 2071 CB VAL A 129 11.150 5.469 -5.726 1.00 1.16 C ATOM 2072 CG1 VAL A 129 9.643 5.511 -5.949 1.00 1.43 C ATOM 2073 CG2 VAL A 129 11.488 5.850 -4.294 1.00 1.48 C ATOM 0 H VAL A 129 13.600 4.917 -5.643 1.00 0.91 H new ATOM 0 HA VAL A 129 11.278 3.341 -5.405 1.00 1.04 H new ATOM 0 HB VAL A 129 11.610 6.197 -6.394 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.265 6.502 -5.696 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.424 5.295 -6.995 1.00 1.43 H new ATOM 0 HG13 VAL A 129 9.161 4.767 -5.316 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.072 6.833 -4.071 1.00 1.48 H new ATOM 0 HG22 VAL A 129 11.064 5.113 -3.612 1.00 1.48 H new ATOM 0 HG23 VAL A 129 12.571 5.878 -4.171 1.00 1.48 H new ATOM 2083 N ARG A 130 12.132 4.369 -8.432 1.00 0.99 N ATOM 2084 CA ARG A 130 11.914 4.185 -9.858 1.00 1.14 C ATOM 2085 C ARG A 130 12.236 2.743 -10.282 1.00 1.05 C ATOM 2086 O ARG A 130 11.848 2.304 -11.365 1.00 1.24 O ATOM 2087 CB ARG A 130 12.753 5.191 -10.652 1.00 1.30 C ATOM 2088 CG ARG A 130 12.375 5.285 -12.122 1.00 1.75 C ATOM 2089 CD ARG A 130 13.106 6.423 -12.811 1.00 1.86 C ATOM 2090 NE ARG A 130 12.755 6.516 -14.226 1.00 2.36 N ATOM 2091 CZ ARG A 130 13.035 7.564 -14.999 1.00 2.92 C ATOM 2092 NH1 ARG A 130 13.624 8.638 -14.489 1.00 3.04 N ATOM 2093 NH2 ARG A 130 12.715 7.543 -16.285 1.00 3.83 N ATOM 0 H ARG A 130 12.893 5.009 -8.204 1.00 0.99 H new ATOM 0 HA ARG A 130 10.861 4.365 -10.074 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.649 6.176 -10.197 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.804 4.914 -10.574 1.00 1.30 H new ATOM 0 HG2 ARG A 130 12.611 4.345 -12.620 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.299 5.434 -12.214 1.00 1.75 H new ATOM 0 HD2 ARG A 130 12.865 7.363 -12.314 1.00 1.86 H new ATOM 0 HD3 ARG A 130 14.182 6.277 -12.712 1.00 1.86 H new ATOM 0 HE ARG A 130 12.264 5.728 -14.649 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.866 8.665 -13.498 1.00 3.04 H new ATOM 0 HH12 ARG A 130 13.835 9.436 -15.088 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.254 6.724 -16.683 1.00 3.83 H new ATOM 0 HH22 ARG A 130 12.929 8.345 -16.877 1.00 3.83 H new ATOM 2107 N ASN A 131 12.956 2.020 -9.417 1.00 0.85 N ATOM 2108 CA ASN A 131 13.261 0.603 -9.641 1.00 0.88 C ATOM 2109 C ASN A 131 11.996 -0.205 -9.897 1.00 1.08 C ATOM 2110 O ASN A 131 11.887 -0.890 -10.910 1.00 1.24 O ATOM 2111 CB ASN A 131 14.002 -0.001 -8.438 1.00 0.88 C ATOM 2112 CG ASN A 131 15.509 0.104 -8.552 1.00 1.70 C ATOM 2113 OD1 ASN A 131 16.110 1.106 -8.173 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.134 -0.944 -9.058 1.00 2.04 N ATOM 0 H ASN A 131 13.340 2.396 -8.550 1.00 0.85 H new ATOM 0 HA ASN A 131 13.900 0.554 -10.523 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.677 0.504 -7.528 1.00 0.88 H new ATOM 0 HB3 ASN A 131 13.724 -1.050 -8.337 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.150 -0.939 -9.145 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.600 -1.758 -9.362 1.00 2.04 H new ATOM 2121 N GLY A 132 11.043 -0.136 -8.971 1.00 1.23 N ATOM 2122 CA GLY A 132 9.845 -0.951 -9.103 1.00 1.61 C ATOM 2123 C GLY A 132 8.608 -0.383 -8.432 1.00 1.21 C ATOM 2124 O GLY A 132 7.516 -0.933 -8.577 1.00 1.24 O ATOM 0 H GLY A 132 11.076 0.459 -8.143 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.634 -1.091 -10.163 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.046 -1.937 -8.685 1.00 1.61 H new ATOM 2128 N MET A 133 8.758 0.695 -7.683 1.00 1.24 N ATOM 2129 CA MET A 133 7.615 1.330 -7.048 1.00 1.38 C ATOM 2130 C MET A 133 6.911 2.194 -8.085 1.00 1.35 C ATOM 2131 O MET A 133 5.697 2.396 -8.038 1.00 1.56 O ATOM 2132 CB MET A 133 8.074 2.178 -5.858 1.00 2.06 C ATOM 2133 CG MET A 133 9.253 1.574 -5.106 1.00 2.92 C ATOM 2134 SD MET A 133 9.878 2.643 -3.797 1.00 3.99 S ATOM 2135 CE MET A 133 11.449 1.857 -3.428 1.00 4.83 C ATOM 0 H MET A 133 9.654 1.147 -7.500 1.00 1.24 H new ATOM 0 HA MET A 133 6.926 0.574 -6.671 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.349 3.171 -6.213 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.239 2.306 -5.169 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.951 0.620 -4.675 1.00 2.92 H new ATOM 0 HG3 MET A 133 10.057 1.365 -5.811 1.00 2.92 H new ATOM 0 HE1 MET A 133 11.526 1.685 -2.354 1.00 4.83 H new ATOM 0 HE2 MET A 133 11.511 0.904 -3.954 1.00 4.83 H new ATOM 0 HE3 MET A 133 12.264 2.504 -3.751 1.00 4.83 H new ATOM 2145 N ASP A 134 7.716 2.654 -9.042 1.00 1.38 N ATOM 2146 CA ASP A 134 7.280 3.525 -10.133 1.00 1.84 C ATOM 2147 C ASP A 134 6.132 2.919 -10.946 1.00 1.95 C ATOM 2148 O ASP A 134 5.174 3.610 -11.287 1.00 2.41 O ATOM 2149 CB ASP A 134 8.477 3.806 -11.049 1.00 2.05 C ATOM 2150 CG ASP A 134 8.109 4.561 -12.311 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.078 5.807 -12.272 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.816 3.916 -13.336 1.00 2.28 O ATOM 0 H ASP A 134 8.710 2.427 -9.081 1.00 1.38 H new ATOM 0 HA ASP A 134 6.903 4.450 -9.696 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.221 4.380 -10.496 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.944 2.860 -11.324 1.00 2.05 H new ATOM 2157 N LYS A 135 6.222 1.633 -11.262 1.00 1.70 N ATOM 2158 CA LYS A 135 5.189 0.991 -12.067 1.00 2.03 C ATOM 2159 C LYS A 135 4.351 0.026 -11.247 1.00 1.70 C ATOM 2160 O LYS A 135 3.559 -0.741 -11.797 1.00 2.17 O ATOM 2161 CB LYS A 135 5.791 0.255 -13.262 1.00 2.40 C ATOM 2162 CG LYS A 135 6.331 1.178 -14.341 1.00 3.08 C ATOM 2163 CD LYS A 135 6.418 0.466 -15.680 1.00 3.44 C ATOM 2164 CE LYS A 135 5.036 0.125 -16.226 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.261 1.341 -16.602 1.00 4.15 N ATOM 0 H LYS A 135 6.987 1.021 -10.979 1.00 1.70 H new ATOM 0 HA LYS A 135 4.541 1.788 -12.431 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.597 -0.390 -12.912 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.031 -0.393 -13.698 1.00 2.40 H new ATOM 0 HG2 LYS A 135 5.686 2.052 -14.432 1.00 3.08 H new ATOM 0 HG3 LYS A 135 7.318 1.539 -14.053 1.00 3.08 H new ATOM 0 HD2 LYS A 135 6.946 1.097 -16.395 1.00 3.44 H new ATOM 0 HD3 LYS A 135 7.002 -0.448 -15.569 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.141 -0.520 -17.098 1.00 3.61 H new ATOM 0 HE3 LYS A 135 4.481 -0.440 -15.477 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 3.405 1.060 -17.121 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 3.990 1.860 -15.742 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.846 1.953 -17.206 1.00 4.15 H new ATOM 2179 N GLY A 136 4.505 0.072 -9.937 1.00 1.04 N ATOM 2180 CA GLY A 136 3.746 -0.816 -9.089 1.00 0.79 C ATOM 2181 C GLY A 136 2.606 -0.110 -8.393 1.00 0.65 C ATOM 2182 O GLY A 136 1.446 -0.376 -8.689 1.00 0.57 O ATOM 0 H GLY A 136 5.138 0.704 -9.447 1.00 1.04 H new ATOM 0 HA2 GLY A 136 3.351 -1.637 -9.688 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.408 -1.256 -8.343 1.00 0.79 H new ATOM 2186 N TRP A 137 2.940 0.823 -7.508 1.00 0.68 N ATOM 2187 CA TRP A 137 1.951 1.465 -6.640 1.00 0.67 C ATOM 2188 C TRP A 137 0.826 2.161 -7.429 1.00 0.57 C ATOM 2189 O TRP A 137 -0.346 1.960 -7.115 1.00 0.56 O ATOM 2190 CB TRP A 137 2.638 2.450 -5.688 1.00 0.81 C ATOM 2191 CG TRP A 137 2.009 2.490 -4.327 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.532 1.426 -3.619 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.810 3.645 -3.500 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.036 1.847 -2.409 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.199 3.203 -2.311 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.086 5.009 -3.650 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.861 4.075 -1.278 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 1.749 5.872 -2.623 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.143 5.402 -1.451 1.00 2.32 C ATOM 0 H TRP A 137 3.894 1.156 -7.370 1.00 0.68 H new ATOM 0 HA TRP A 137 1.477 0.675 -6.057 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.688 2.177 -5.588 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.609 3.448 -6.125 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.543 0.401 -3.960 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.615 1.247 -1.699 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.553 5.380 -4.550 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.393 3.716 -0.373 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 1.957 6.927 -2.727 1.00 2.78 H new ATOM 0 HH2 TRP A 137 0.893 6.102 -0.668 1.00 2.32 H new ATOM 2210 N PRO A 138 1.139 2.987 -8.458 1.00 0.58 N ATOM 2211 CA PRO A 138 0.101 3.614 -9.292 1.00 0.61 C ATOM 2212 C PRO A 138 -0.800 2.576 -9.963 1.00 0.58 C ATOM 2213 O PRO A 138 -2.023 2.718 -9.975 1.00 0.64 O ATOM 2214 CB PRO A 138 0.891 4.404 -10.344 1.00 0.68 C ATOM 2215 CG PRO A 138 2.266 3.834 -10.303 1.00 0.66 C ATOM 2216 CD PRO A 138 2.487 3.403 -8.883 1.00 0.63 C ATOM 0 HA PRO A 138 -0.568 4.239 -8.701 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.448 4.295 -11.334 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.899 5.469 -10.114 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.360 2.991 -10.987 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.006 4.575 -10.607 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.204 2.585 -8.815 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.873 4.216 -8.268 1.00 0.63 H new ATOM 2224 N THR A 139 -0.184 1.530 -10.507 1.00 0.57 N ATOM 2225 CA THR A 139 -0.918 0.428 -11.110 1.00 0.62 C ATOM 2226 C THR A 139 -1.830 -0.216 -10.065 1.00 0.54 C ATOM 2227 O THR A 139 -3.004 -0.518 -10.326 1.00 0.55 O ATOM 2228 CB THR A 139 0.060 -0.632 -11.670 1.00 0.72 C ATOM 2229 OG1 THR A 139 1.011 -0.015 -12.548 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.682 -1.729 -12.415 1.00 0.87 C ATOM 0 H THR A 139 0.830 1.425 -10.541 1.00 0.57 H new ATOM 0 HA THR A 139 -1.521 0.817 -11.931 1.00 0.62 H new ATOM 0 HB THR A 139 0.582 -1.081 -10.825 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.903 -0.381 -12.374 1.00 0.81 H new ATOM 0 HG21 THR A 139 0.033 -2.458 -12.796 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.377 -2.223 -11.737 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.235 -1.294 -13.247 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.274 -0.387 -8.871 1.00 0.50 N ATOM 2239 CA ILE A 140 -1.990 -0.972 -7.754 1.00 0.47 C ATOM 2240 C ILE A 140 -3.231 -0.162 -7.406 1.00 0.42 C ATOM 2241 O ILE A 140 -4.319 -0.713 -7.322 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.079 -1.097 -6.509 1.00 0.51 C ATOM 2243 CG1 ILE A 140 0.013 -2.145 -6.753 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -1.893 -1.445 -5.272 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.965 -2.323 -5.589 1.00 0.72 C ATOM 0 H ILE A 140 -0.313 -0.122 -8.655 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.302 -1.970 -8.061 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.602 -0.133 -6.335 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.459 -3.103 -6.973 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.584 -1.861 -7.637 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.230 -1.527 -4.411 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.630 -0.663 -5.089 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.404 -2.395 -5.428 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.708 -3.081 -5.839 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.467 -1.378 -5.381 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.407 -2.639 -4.708 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.065 1.146 -7.243 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.160 2.009 -6.808 1.00 0.36 C ATOM 2259 C LEU A 141 -5.336 1.985 -7.779 1.00 0.38 C ATOM 2260 O LEU A 141 -6.488 2.081 -7.360 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.679 3.447 -6.624 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.633 3.650 -5.529 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.390 5.132 -5.310 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.069 2.978 -4.234 1.00 0.56 C ATOM 0 H LEU A 141 -2.183 1.633 -7.405 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.505 1.616 -5.852 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.265 3.798 -7.569 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.541 4.075 -6.401 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.700 3.187 -5.849 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.643 5.267 -4.528 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.031 5.583 -6.235 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.321 5.613 -5.009 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.309 3.136 -3.469 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.014 3.408 -3.901 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.197 1.909 -4.404 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.052 1.859 -9.068 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.108 1.827 -10.074 1.00 0.48 C ATOM 2278 C GLN A 142 -6.923 0.548 -9.952 1.00 0.47 C ATOM 2279 O GLN A 142 -8.147 0.585 -9.835 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.522 1.944 -11.484 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.686 3.323 -12.127 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.837 4.435 -11.511 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -4.431 5.366 -12.208 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.581 4.370 -10.215 1.00 0.77 N ATOM 0 H GLN A 142 -4.106 1.778 -9.441 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.764 2.680 -9.901 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.460 1.700 -11.444 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -5.996 1.200 -12.124 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.439 3.244 -13.186 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.735 3.612 -12.065 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.931 3.586 -9.665 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.033 5.104 -9.766 1.00 0.77 H new ATOM 2293 N SER A 143 -6.234 -0.581 -9.955 1.00 0.49 N ATOM 2294 CA SER A 143 -6.889 -1.868 -9.804 1.00 0.53 C ATOM 2295 C SER A 143 -7.447 -2.025 -8.386 1.00 0.45 C ATOM 2296 O SER A 143 -8.347 -2.827 -8.145 1.00 0.46 O ATOM 2297 CB SER A 143 -5.906 -2.982 -10.133 1.00 0.64 C ATOM 2298 OG SER A 143 -5.298 -2.769 -11.396 1.00 1.15 O ATOM 0 H SER A 143 -5.221 -0.632 -10.060 1.00 0.49 H new ATOM 0 HA SER A 143 -7.728 -1.927 -10.497 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.139 -3.034 -9.361 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.424 -3.941 -10.132 1.00 0.64 H new ATOM 0 HG SER A 143 -4.670 -3.497 -11.584 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.891 -1.262 -7.452 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.387 -1.220 -6.084 1.00 0.36 C ATOM 2306 C PHE A 144 -8.808 -0.655 -6.057 1.00 0.32 C ATOM 2307 O PHE A 144 -9.731 -1.285 -5.539 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.448 -0.369 -5.221 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.938 -0.109 -3.827 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.988 -1.138 -2.898 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.353 1.154 -3.444 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.445 -0.911 -1.615 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.808 1.387 -2.163 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.831 0.388 -1.245 1.00 0.78 C ATOM 0 H PHE A 144 -6.087 -0.658 -7.622 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.414 -2.231 -5.678 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.480 -0.866 -5.164 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.287 0.587 -5.719 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.665 -2.129 -3.182 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.320 1.966 -4.155 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.505 -1.722 -0.905 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.149 2.374 -1.888 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.145 0.591 -0.232 1.00 0.78 H new ATOM 2324 N GLN A 145 -8.974 0.530 -6.647 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.291 1.155 -6.787 1.00 0.31 C ATOM 2326 C GLN A 145 -11.211 0.257 -7.605 1.00 0.35 C ATOM 2327 O GLN A 145 -12.425 0.257 -7.425 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.158 2.503 -7.494 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.243 3.485 -6.791 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.968 4.717 -7.635 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.818 5.152 -8.411 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.773 5.272 -7.508 1.00 0.66 N ATOM 0 H GLN A 145 -8.208 1.079 -7.038 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.712 1.302 -5.792 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.785 2.335 -8.504 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.148 2.950 -7.589 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.694 3.787 -5.846 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.300 2.993 -6.551 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.096 4.881 -6.853 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.529 6.091 -8.065 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.601 -0.509 -8.498 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.326 -1.390 -9.407 1.00 0.43 C ATOM 2343 C ASP A 146 -11.921 -2.567 -8.643 1.00 0.40 C ATOM 2344 O ASP A 146 -13.098 -2.893 -8.801 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.382 -1.897 -10.497 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.116 -2.467 -11.688 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.333 -1.717 -12.660 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.480 -3.657 -11.669 1.00 1.46 O ATOM 0 H ASP A 146 -9.588 -0.538 -8.614 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.139 -0.829 -9.868 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -9.743 -1.078 -10.828 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.729 -2.662 -10.078 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.098 -3.182 -7.801 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.527 -4.297 -6.964 1.00 0.51 C ATOM 2355 C LYS A 147 -12.632 -3.852 -6.009 1.00 0.48 C ATOM 2356 O LYS A 147 -13.541 -4.618 -5.684 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.336 -4.845 -6.163 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.679 -6.056 -5.311 1.00 0.92 C ATOM 2359 CD LYS A 147 -10.880 -7.298 -6.162 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.720 -8.339 -5.441 1.00 1.25 C ATOM 2361 NZ LYS A 147 -13.131 -7.894 -5.295 1.00 1.74 N ATOM 0 H LYS A 147 -10.119 -2.923 -7.679 1.00 0.42 H new ATOM 0 HA LYS A 147 -11.916 -5.084 -7.609 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.537 -5.113 -6.854 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.949 -4.056 -5.518 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.880 -6.233 -4.591 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.585 -5.855 -4.740 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -11.365 -7.023 -7.099 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -9.911 -7.725 -6.418 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.689 -9.279 -5.992 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -11.295 -8.533 -4.456 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.522 -8.265 -4.405 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -13.168 -6.855 -5.283 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.692 -8.251 -6.095 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.544 -2.607 -5.567 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.525 -2.039 -4.660 1.00 0.40 C ATOM 2377 C ILE A 148 -14.767 -1.580 -5.422 1.00 0.42 C ATOM 2378 O ILE A 148 -15.866 -1.523 -4.873 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.920 -0.857 -3.879 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.732 -1.330 -3.042 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.968 -0.207 -2.990 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.067 -0.226 -2.251 1.00 0.37 C ATOM 0 H ILE A 148 -11.794 -1.966 -5.826 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.818 -2.815 -3.953 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.571 -0.113 -4.595 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.069 -2.105 -2.354 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.994 -1.788 -3.701 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.519 0.625 -2.448 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.789 0.161 -3.605 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.348 -0.941 -2.279 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.233 -0.637 -1.682 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.698 0.539 -2.934 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.790 0.217 -1.566 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.591 -1.274 -6.699 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.708 -0.877 -7.547 1.00 0.49 C ATOM 2396 C ASP A 149 -16.688 -2.037 -7.674 1.00 0.55 C ATOM 2397 O ASP A 149 -17.881 -1.846 -7.905 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.201 -0.442 -8.925 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.273 0.206 -9.781 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.046 1.029 -9.256 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.312 -0.069 -10.997 1.00 0.77 O ATOM 0 H ASP A 149 -13.687 -1.293 -7.171 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.222 -0.029 -7.093 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.376 0.258 -8.797 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.803 -1.311 -9.449 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.165 -3.244 -7.481 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.969 -4.459 -7.481 1.00 0.68 C ATOM 2408 C GLU A 150 -17.904 -4.474 -6.282 1.00 0.75 C ATOM 2409 O GLU A 150 -18.968 -5.089 -6.312 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.061 -5.684 -7.432 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.156 -5.821 -8.640 1.00 0.78 C ATOM 2412 CD GLU A 150 -14.030 -6.806 -8.408 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.912 -6.547 -8.885 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.258 -7.834 -7.731 1.00 1.50 O ATOM 0 H GLU A 150 -15.171 -3.406 -7.320 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.562 -4.483 -8.395 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.447 -5.634 -6.533 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.677 -6.579 -7.348 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.746 -6.143 -9.498 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.737 -4.846 -8.889 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.490 -3.784 -5.229 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.280 -3.675 -4.014 1.00 0.84 C ATOM 2423 C GLU A 151 -19.368 -2.618 -4.192 1.00 0.88 C ATOM 2424 O GLU A 151 -20.242 -2.457 -3.339 1.00 1.06 O ATOM 2425 CB GLU A 151 -17.379 -3.288 -2.837 1.00 0.86 C ATOM 2426 CG GLU A 151 -16.196 -4.222 -2.623 1.00 0.95 C ATOM 2427 CD GLU A 151 -16.609 -5.598 -2.146 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.887 -6.463 -3.000 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -16.666 -5.818 -0.919 1.00 1.63 O ATOM 0 H GLU A 151 -16.600 -3.286 -5.194 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.745 -4.639 -3.810 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -17.005 -2.277 -2.998 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.979 -3.265 -1.927 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.642 -4.318 -3.557 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -15.517 -3.779 -1.894 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.306 -1.905 -5.314 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.227 -0.817 -5.557 1.00 0.96 C ATOM 2438 C GLY A 152 -21.085 -1.023 -6.792 1.00 1.04 C ATOM 2439 O GLY A 152 -22.237 -1.446 -6.686 1.00 1.32 O ATOM 0 H GLY A 152 -18.629 -2.066 -6.060 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.875 -0.697 -4.689 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.664 0.110 -5.665 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.530 -0.743 -7.969 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.323 -0.756 -9.198 1.00 1.47 C ATOM 2445 C ALA A 153 -20.506 -1.212 -10.407 1.00 1.29 C ATOM 2446 O ALA A 153 -20.769 -0.792 -11.534 1.00 1.70 O ATOM 2447 CB ALA A 153 -21.909 0.627 -9.448 1.00 1.92 C ATOM 0 H ALA A 153 -19.546 -0.507 -8.099 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.129 -1.477 -9.064 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -22.499 0.612 -10.365 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.547 0.909 -8.610 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.101 1.352 -9.548 1.00 1.92 H new ATOM 2453 N LYS A 154 -19.527 -2.081 -10.172 1.00 1.09 N ATOM 2454 CA LYS A 154 -18.712 -2.634 -11.254 1.00 1.02 C ATOM 2455 C LYS A 154 -19.572 -3.426 -12.239 1.00 1.38 C ATOM 2456 O LYS A 154 -19.356 -3.369 -13.451 1.00 2.04 O ATOM 2457 CB LYS A 154 -17.613 -3.540 -10.685 1.00 0.91 C ATOM 2458 CG LYS A 154 -16.781 -4.253 -11.742 1.00 1.02 C ATOM 2459 CD LYS A 154 -15.960 -3.283 -12.578 1.00 0.95 C ATOM 2460 CE LYS A 154 -14.860 -2.630 -11.760 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.050 -1.697 -12.582 1.00 1.32 N ATOM 0 H LYS A 154 -19.277 -2.419 -9.242 1.00 1.09 H new ATOM 0 HA LYS A 154 -18.252 -1.801 -11.786 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -16.950 -2.940 -10.061 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.073 -4.286 -10.037 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -16.114 -4.966 -11.257 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.440 -4.825 -12.395 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -15.520 -3.813 -13.423 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.613 -2.514 -12.989 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.301 -2.089 -10.922 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.214 -3.400 -11.338 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.785 -0.870 -12.009 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -13.190 -2.181 -12.910 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -14.606 -1.385 -13.404 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.545 -4.152 -11.716 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.395 -4.995 -12.544 1.00 2.44 C ATOM 2477 C LYS A 155 -22.619 -4.226 -13.038 1.00 3.14 C ATOM 2478 O LYS A 155 -22.717 -3.987 -14.259 1.00 3.71 O ATOM 2479 CB LYS A 155 -21.809 -6.259 -11.780 1.00 2.82 C ATOM 2480 CG LYS A 155 -22.388 -5.990 -10.400 1.00 2.95 C ATOM 2481 CD LYS A 155 -22.771 -7.279 -9.694 1.00 3.46 C ATOM 2482 CE LYS A 155 -23.369 -7.008 -8.321 1.00 3.45 C ATOM 2483 NZ LYS A 155 -24.602 -6.181 -8.402 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.467 -3.843 -12.207 1.00 3.60 O ATOM 0 H LYS A 155 -20.767 -4.176 -10.721 1.00 1.82 H new ATOM 0 HA LYS A 155 -20.821 -5.299 -13.419 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -22.546 -6.803 -12.371 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -20.940 -6.909 -11.677 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -21.659 -5.448 -9.798 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -23.265 -5.350 -10.491 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -23.489 -7.829 -10.303 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -21.891 -7.913 -9.590 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -23.599 -7.955 -7.833 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -22.632 -6.500 -7.699 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -25.104 -6.217 -7.492 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -24.346 -5.196 -8.618 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -25.219 -6.551 -9.153 1.00 4.22 H new TER 2498 LYS A 155