USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 891 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 ASN :FLIP amide:sc= -0.345 F(o=-1.8,f=-0.35) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0826 (180deg=-0.433) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00733) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.9 F(o=-3.4,f=-1.9) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.3!) USER MOD Single : A 55 ASN : amide:sc= -0.791 K(o=-0.79,f=-11!) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.544 (180deg=-0.578) USER MOD Single : A 70 TYR OH : rot 139:sc= -1.84 USER MOD Single : A 71 ASN : amide:sc= -5.44! C(o=-5.4!,f=-14!) USER MOD Single : A 72 ASN : amide:sc= -1.98 X(o=-2,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.43) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -7.58! C(o=-7.6!,f=-14!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 143:sc= -2.35 (180deg=-5.18!) USER MOD Single : A 95 MET CE :methyl -166:sc= -4.61! (180deg=-5.35!) USER MOD Single : A 96 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-6.8!) USER MOD Single : A 97 TYR OH : rot -19:sc= 0.675 USER MOD Single : A 99 THR OG1 : rot -160:sc= -1.32 USER MOD Single : A 103 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -105:sc= -2.88 (180deg=-5.06!) USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= 1.18 (180deg=-2.49) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -7.44 K(o=-7.4,f=-20!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.249 F(o=-1.1,f=-0.25) USER MOD Single : A 125 GLN : amide:sc= -2.96 K(o=-3,f=-7.7!) USER MOD Single : A 127 GLN : amide:sc= -7.83! C(o=-7.8!,f=-13!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.457 7.772 10.241 1.00 0.00 N ATOM 75 CA PRO A 6 5.175 7.769 10.955 1.00 0.00 C ATOM 76 C PRO A 6 4.921 9.078 11.695 1.00 0.00 C ATOM 77 O PRO A 6 5.839 9.871 11.907 1.00 0.00 O ATOM 78 CB PRO A 6 5.323 6.614 11.947 1.00 0.00 C ATOM 79 CG PRO A 6 6.319 5.702 11.321 1.00 0.00 C ATOM 80 CD PRO A 6 7.272 6.586 10.564 1.00 0.00 C ATOM 0 HA PRO A 6 4.330 7.658 10.275 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.667 6.968 12.919 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.371 6.108 12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.845 5.120 12.078 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.832 4.991 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.141 6.848 11.167 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.644 6.097 9.664 1.00 0.00 H new ATOM 88 N LYS A 7 3.670 9.298 12.086 1.00 0.00 N ATOM 89 CA LYS A 7 3.296 10.511 12.803 1.00 0.00 C ATOM 90 C LYS A 7 3.580 11.751 11.960 1.00 0.00 C ATOM 91 O LYS A 7 4.629 12.379 12.097 1.00 0.00 O ATOM 92 CB LYS A 7 4.051 10.599 14.130 1.00 0.00 C ATOM 93 CG LYS A 7 3.273 11.304 15.228 1.00 0.00 C ATOM 94 CD LYS A 7 3.570 10.707 16.594 1.00 0.00 C ATOM 95 CE LYS A 7 2.675 11.302 17.669 1.00 0.00 C ATOM 96 NZ LYS A 7 1.233 11.073 17.381 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.899 8.652 11.918 1.00 0.00 H new ATOM 0 HA LYS A 7 2.226 10.468 13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.301 9.592 14.463 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.992 11.125 13.969 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.526 12.364 15.231 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.205 11.231 15.023 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.429 9.627 16.559 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.615 10.884 16.850 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.926 10.863 18.634 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.864 12.373 17.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.679 11.210 18.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.912 11.747 16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.098 10.102 17.034 1.00 0.00 H new ATOM 110 N LYS A 8 2.637 12.096 11.089 1.00 0.00 N ATOM 111 CA LYS A 8 2.786 13.261 10.224 1.00 0.00 C ATOM 112 C LYS A 8 1.530 13.478 9.383 1.00 0.00 C ATOM 113 O LYS A 8 0.836 12.524 9.032 1.00 0.00 O ATOM 114 CB LYS A 8 4.003 13.093 9.313 1.00 0.00 C ATOM 115 CG LYS A 8 4.800 14.372 9.119 1.00 0.00 C ATOM 116 CD LYS A 8 6.287 14.088 8.986 1.00 0.00 C ATOM 117 CE LYS A 8 6.722 14.068 7.529 1.00 0.00 C ATOM 118 NZ LYS A 8 6.252 12.843 6.826 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.763 11.586 10.964 1.00 0.00 H new ATOM 0 HA LYS A 8 2.933 14.137 10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.657 12.328 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.671 12.731 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.447 14.890 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.630 15.039 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.853 14.847 9.526 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.518 13.129 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.332 14.950 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.809 14.124 7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.598 12.851 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.617 12.001 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.212 12.820 6.826 1.00 0.00 H new ATOM 132 N PRO A 9 1.222 14.742 9.046 1.00 0.00 N ATOM 133 CA PRO A 9 0.043 15.080 8.241 1.00 0.00 C ATOM 134 C PRO A 9 -0.026 14.272 6.949 1.00 0.00 C ATOM 135 O PRO A 9 0.866 13.477 6.654 1.00 0.00 O ATOM 136 CB PRO A 9 0.235 16.566 7.933 1.00 0.00 C ATOM 137 CG PRO A 9 1.087 17.076 9.043 1.00 0.00 C ATOM 138 CD PRO A 9 1.996 15.940 9.422 1.00 0.00 C ATOM 0 HA PRO A 9 -0.886 14.858 8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.716 16.711 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.721 17.089 7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.661 17.946 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.478 17.388 9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.945 15.989 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.229 15.950 10.487 1.00 0.00 H new ATOM 146 N VAL A 10 -1.091 14.483 6.182 1.00 0.00 N ATOM 147 CA VAL A 10 -1.276 13.774 4.921 1.00 0.00 C ATOM 148 C VAL A 10 -2.037 14.635 3.913 1.00 0.00 C ATOM 149 O VAL A 10 -2.769 15.549 4.293 1.00 0.00 O ATOM 150 CB VAL A 10 -2.025 12.440 5.132 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.404 11.656 6.278 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.506 12.681 5.387 1.00 0.00 C ATOM 0 H VAL A 10 -1.838 15.138 6.411 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.284 13.559 4.525 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.932 11.851 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.944 10.719 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.360 11.443 6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.462 12.243 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.010 11.726 5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.626 13.294 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.943 13.196 4.532 1.00 0.00 H new ATOM 162 N PRO A 11 -1.873 14.351 2.610 1.00 0.00 N ATOM 163 CA PRO A 11 -2.547 15.102 1.548 1.00 0.00 C ATOM 164 C PRO A 11 -4.028 14.756 1.443 1.00 0.00 C ATOM 165 O PRO A 11 -4.586 14.099 2.322 1.00 0.00 O ATOM 166 CB PRO A 11 -1.804 14.663 0.286 1.00 0.00 C ATOM 167 CG PRO A 11 -1.314 13.292 0.596 1.00 0.00 C ATOM 168 CD PRO A 11 -1.018 13.276 2.073 1.00 0.00 C ATOM 0 HA PRO A 11 -2.520 16.177 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.463 14.661 -0.582 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.978 15.337 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.064 12.543 0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.421 13.058 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.259 12.311 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.037 13.465 2.273 1.00 0.00 H new ATOM 176 N ALA A 12 -4.660 15.201 0.361 1.00 0.00 N ATOM 177 CA ALA A 12 -6.077 14.938 0.142 1.00 0.00 C ATOM 178 C ALA A 12 -6.343 14.540 -1.306 1.00 0.00 C ATOM 179 O ALA A 12 -6.072 15.305 -2.231 1.00 0.00 O ATOM 180 CB ALA A 12 -6.904 16.159 0.515 1.00 0.00 C ATOM 0 H ALA A 12 -4.213 15.745 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.370 14.105 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.960 15.948 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.745 16.399 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.600 17.006 -0.100 1.00 0.00 H new ATOM 186 N ALA A 13 -6.875 13.336 -1.495 1.00 0.00 N ATOM 187 CA ALA A 13 -7.177 12.836 -2.831 1.00 0.00 C ATOM 188 C ALA A 13 -7.884 11.487 -2.764 1.00 0.00 C ATOM 189 O ALA A 13 -7.924 10.847 -1.713 1.00 0.00 O ATOM 190 CB ALA A 13 -5.903 12.727 -3.654 1.00 0.00 C ATOM 0 H ALA A 13 -7.105 12.690 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.849 13.545 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.144 12.352 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.439 13.710 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.212 12.040 -3.165 1.00 0.00 H new ATOM 196 N GLU A 14 -8.439 11.059 -3.894 1.00 0.00 N ATOM 197 CA GLU A 14 -9.144 9.784 -3.964 1.00 0.00 C ATOM 198 C GLU A 14 -9.612 9.499 -5.387 1.00 0.00 C ATOM 199 O GLU A 14 -10.624 10.037 -5.838 1.00 0.00 O ATOM 200 CB GLU A 14 -10.341 9.787 -3.012 1.00 0.00 C ATOM 201 CG GLU A 14 -10.767 8.397 -2.566 1.00 0.00 C ATOM 202 CD GLU A 14 -11.977 7.887 -3.324 1.00 0.00 C ATOM 203 OE1 GLU A 14 -13.013 8.584 -3.326 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -11.888 6.790 -3.915 1.00 0.00 O ATOM 0 H GLU A 14 -8.414 11.576 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.452 8.997 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.094 10.382 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.183 10.276 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.937 7.704 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.992 8.415 -1.500 1.00 0.00 H new ATOM 211 N GLU A 15 -8.869 8.651 -6.090 1.00 0.00 N ATOM 212 CA GLU A 15 -9.209 8.294 -7.463 1.00 0.00 C ATOM 213 C GLU A 15 -8.246 7.243 -8.006 1.00 0.00 C ATOM 214 O GLU A 15 -7.197 6.984 -7.417 1.00 0.00 O ATOM 215 CB GLU A 15 -9.183 9.536 -8.356 1.00 0.00 C ATOM 216 CG GLU A 15 -10.250 9.529 -9.438 1.00 0.00 C ATOM 217 CD GLU A 15 -11.648 9.356 -8.877 1.00 0.00 C ATOM 218 OE1 GLU A 15 -12.240 10.364 -8.436 1.00 0.00 O1- ATOM 219 OE2 GLU A 15 -12.151 8.213 -8.878 1.00 0.00 O ATOM 0 H GLU A 15 -8.028 8.198 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.215 7.875 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.313 10.423 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.202 9.616 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.200 10.463 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.043 8.723 -10.142 1.00 0.00 H new ATOM 226 N ALA A 16 -8.610 6.641 -9.133 1.00 0.00 N ATOM 227 CA ALA A 16 -7.779 5.618 -9.756 1.00 0.00 C ATOM 228 C ALA A 16 -7.670 5.841 -11.263 1.00 0.00 C ATOM 229 O ALA A 16 -8.494 6.536 -11.857 1.00 0.00 O ATOM 230 CB ALA A 16 -8.339 4.234 -9.465 1.00 0.00 C ATOM 0 H ALA A 16 -9.475 6.844 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.778 5.690 -9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.709 3.480 -9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.359 4.069 -8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.351 4.160 -9.862 1.00 0.00 H new ATOM 236 N PRO A 17 -6.646 5.250 -11.903 1.00 0.00 N ATOM 237 CA PRO A 17 -6.434 5.387 -13.347 1.00 0.00 C ATOM 238 C PRO A 17 -7.484 4.640 -14.161 1.00 0.00 C ATOM 239 O PRO A 17 -7.664 3.432 -14.001 1.00 0.00 O ATOM 240 CB PRO A 17 -5.051 4.770 -13.563 1.00 0.00 C ATOM 241 CG PRO A 17 -4.888 3.804 -12.441 1.00 0.00 C ATOM 242 CD PRO A 17 -5.617 4.403 -11.270 1.00 0.00 C ATOM 0 HA PRO A 17 -6.508 6.425 -13.673 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.987 4.269 -14.529 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.271 5.531 -13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.302 2.830 -12.701 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.834 3.651 -12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.062 3.634 -10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.949 4.988 -10.637 1.00 0.00 H new ATOM 499 N GLU A 36 -9.849 -1.219 -5.737 1.00 0.00 N ATOM 500 CA GLU A 36 -9.028 -2.058 -4.872 1.00 0.00 C ATOM 501 C GLU A 36 -9.398 -1.854 -3.405 1.00 0.00 C ATOM 502 O GLU A 36 -8.718 -1.127 -2.680 1.00 0.00 O ATOM 503 CB GLU A 36 -7.545 -1.749 -5.084 1.00 0.00 C ATOM 504 CG GLU A 36 -6.988 -2.303 -6.385 1.00 0.00 C ATOM 505 CD GLU A 36 -7.787 -1.863 -7.596 1.00 0.00 C ATOM 506 OE1 GLU A 36 -7.762 -0.656 -7.917 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -8.438 -2.725 -8.223 1.00 0.00 O ATOM 0 HA GLU A 36 -9.216 -3.099 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.402 -0.669 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.974 -2.159 -4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.953 -1.979 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.978 -3.392 -6.337 1.00 0.00 H new ATOM 514 N PRO A 37 -10.487 -2.496 -2.946 1.00 0.00 N ATOM 515 CA PRO A 37 -10.944 -2.381 -1.558 1.00 0.00 C ATOM 516 C PRO A 37 -10.004 -3.077 -0.579 1.00 0.00 C ATOM 517 O PRO A 37 -9.069 -3.767 -0.985 1.00 0.00 O ATOM 518 CB PRO A 37 -12.308 -3.075 -1.574 1.00 0.00 C ATOM 519 CG PRO A 37 -12.231 -4.034 -2.710 1.00 0.00 C ATOM 520 CD PRO A 37 -11.354 -3.383 -3.744 1.00 0.00 C ATOM 0 HA PRO A 37 -10.983 -1.343 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.501 -3.590 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.116 -2.357 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.812 -4.987 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.222 -4.241 -3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.773 -4.119 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.940 -2.823 -4.473 1.00 0.00 H new ATOM 528 N ARG A 38 -10.259 -2.890 0.712 1.00 0.00 N ATOM 529 CA ARG A 38 -9.435 -3.500 1.749 1.00 0.00 C ATOM 530 C ARG A 38 -9.993 -3.196 3.136 1.00 0.00 C ATOM 531 O ARG A 38 -10.833 -2.311 3.297 1.00 0.00 O ATOM 532 CB ARG A 38 -7.994 -2.999 1.645 1.00 0.00 C ATOM 533 CG ARG A 38 -7.882 -1.487 1.535 1.00 0.00 C ATOM 534 CD ARG A 38 -7.733 -0.838 2.901 1.00 0.00 C ATOM 535 NE ARG A 38 -6.402 -1.048 3.466 1.00 0.00 N ATOM 536 CZ ARG A 38 -5.940 -0.406 4.536 1.00 0.00 C ATOM 537 NH1 ARG A 38 -6.698 0.487 5.161 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -4.718 -0.657 4.984 1.00 0.00 N ATOM 0 H ARG A 38 -11.029 -2.321 1.065 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.448 -4.580 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.438 -3.333 2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.522 -3.454 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.025 -1.229 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.767 -1.091 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.926 0.231 2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.483 -1.245 3.579 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.791 -1.727 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.639 0.684 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.339 0.976 5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.131 -1.343 4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.364 -0.165 5.804 1.00 0.00 H new ATOM 552 N GLU A 39 -9.519 -3.935 4.134 1.00 0.00 N ATOM 553 CA GLU A 39 -9.971 -3.744 5.507 1.00 0.00 C ATOM 554 C GLU A 39 -9.044 -2.792 6.257 1.00 0.00 C ATOM 555 O GLU A 39 -8.117 -2.227 5.677 1.00 0.00 O ATOM 556 CB GLU A 39 -10.038 -5.088 6.235 1.00 0.00 C ATOM 557 CG GLU A 39 -11.198 -5.192 7.212 1.00 0.00 C ATOM 558 CD GLU A 39 -11.861 -6.556 7.185 1.00 0.00 C ATOM 559 OE1 GLU A 39 -11.257 -7.520 7.700 1.00 0.00 O1- ATOM 560 OE2 GLU A 39 -12.985 -6.659 6.650 1.00 0.00 O ATOM 0 H GLU A 39 -8.823 -4.671 4.017 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.968 -3.304 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.121 -5.887 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.104 -5.247 6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.839 -4.986 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.938 -4.427 6.975 1.00 0.00 H new ATOM 567 N HIS A 40 -9.302 -2.619 7.549 1.00 0.00 N ATOM 568 CA HIS A 40 -8.491 -1.735 8.379 1.00 0.00 C ATOM 569 C HIS A 40 -7.515 -2.537 9.236 1.00 0.00 C ATOM 570 O HIS A 40 -7.805 -3.667 9.629 1.00 0.00 O ATOM 571 CB HIS A 40 -9.387 -0.877 9.273 1.00 0.00 C ATOM 572 CG HIS A 40 -10.537 -0.253 8.546 1.00 0.00 C ATOM 573 ND1 HIS A 40 -11.488 -0.802 7.753 1.00 0.00 N flip ATOM 574 CD2 HIS A 40 -10.811 1.099 8.588 1.00 0.00 C flip ATOM 575 CE1 HIS A 40 -12.309 0.217 7.337 1.00 0.00 C flip ATOM 576 NE2 HIS A 40 -11.880 1.352 7.855 1.00 0.00 N flip ATOM 0 H HIS A 40 -10.066 -3.079 8.044 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.917 -1.084 7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.773 -1.493 10.085 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.785 -0.090 9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.240 1.835 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.167 0.107 6.690 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.302 2.270 7.713 1.00 0.00 H new ATOM 585 N PRO A 41 -6.339 -1.960 9.539 1.00 0.00 N ATOM 586 CA PRO A 41 -5.319 -2.627 10.354 1.00 0.00 C ATOM 587 C PRO A 41 -5.729 -2.737 11.819 1.00 0.00 C ATOM 588 O PRO A 41 -6.847 -2.378 12.189 1.00 0.00 O ATOM 589 CB PRO A 41 -4.097 -1.718 10.208 1.00 0.00 C ATOM 590 CG PRO A 41 -4.662 -0.373 9.911 1.00 0.00 C ATOM 591 CD PRO A 41 -5.912 -0.614 9.111 1.00 0.00 C ATOM 0 HA PRO A 41 -5.145 -3.653 10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.501 -1.705 11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.443 -2.059 9.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.886 0.168 10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.951 0.233 9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.675 0.135 9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.716 -0.576 8.039 1.00 0.00 H new ATOM 599 N ILE A 42 -4.817 -3.235 12.648 1.00 0.00 N ATOM 600 CA ILE A 42 -5.084 -3.391 14.072 1.00 0.00 C ATOM 601 C ILE A 42 -4.176 -2.489 14.904 1.00 0.00 C ATOM 602 O ILE A 42 -3.119 -2.061 14.441 1.00 0.00 O ATOM 603 CB ILE A 42 -4.895 -4.855 14.521 1.00 0.00 C ATOM 604 CG1 ILE A 42 -5.300 -5.022 15.987 1.00 0.00 C ATOM 605 CG2 ILE A 42 -3.454 -5.293 14.311 1.00 0.00 C ATOM 606 CD1 ILE A 42 -5.350 -6.465 16.439 1.00 0.00 C ATOM 0 H ILE A 42 -3.887 -3.537 12.357 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.122 -3.102 14.235 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.540 -5.489 13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.595 -4.477 16.615 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.279 -4.568 16.139 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.338 -6.328 14.633 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.199 -5.211 13.254 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.791 -4.655 14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.644 -6.508 17.488 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.076 -7.010 15.836 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.366 -6.918 16.319 1.00 0.00 H new ATOM 618 N MET A 43 -4.597 -2.204 16.132 1.00 0.00 N ATOM 619 CA MET A 43 -3.822 -1.353 17.028 1.00 0.00 C ATOM 620 C MET A 43 -2.428 -1.928 17.258 1.00 0.00 C ATOM 621 O MET A 43 -2.279 -3.102 17.599 1.00 0.00 O ATOM 622 CB MET A 43 -4.547 -1.193 18.366 1.00 0.00 C ATOM 623 CG MET A 43 -4.867 -2.515 19.045 1.00 0.00 C ATOM 624 SD MET A 43 -6.463 -2.496 19.884 1.00 0.00 S ATOM 625 CE MET A 43 -7.207 -3.989 19.231 1.00 0.00 C ATOM 0 H MET A 43 -5.470 -2.550 16.529 1.00 0.00 H new ATOM 0 HA MET A 43 -3.718 -0.375 16.558 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.931 -0.590 19.034 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.474 -0.643 18.204 1.00 0.00 H new ATOM 0 HG2 MET A 43 -4.861 -3.312 18.301 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.084 -2.747 19.767 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.202 -4.116 19.657 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.284 -3.913 18.146 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.588 -4.848 19.491 1.00 0.00 H new ATOM 635 N GLY A 44 -1.411 -1.095 17.069 1.00 0.00 N ATOM 636 CA GLY A 44 -0.043 -1.539 17.260 1.00 0.00 C ATOM 637 C GLY A 44 0.967 -0.440 16.990 1.00 0.00 C ATOM 638 O GLY A 44 0.621 0.741 16.980 1.00 0.00 O ATOM 0 H GLY A 44 -1.509 -0.120 16.787 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.080 -1.898 18.282 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.157 -2.383 16.600 1.00 0.00 H new ATOM 642 N GLY A 45 2.218 -0.831 16.770 1.00 0.00 N ATOM 643 CA GLY A 45 3.262 0.141 16.501 1.00 0.00 C ATOM 644 C GLY A 45 4.168 -0.281 15.362 1.00 0.00 C ATOM 645 O GLY A 45 3.940 -1.310 14.727 1.00 0.00 O ATOM 0 H GLY A 45 2.528 -1.803 16.773 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.806 1.102 16.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.859 0.287 17.401 1.00 0.00 H new ATOM 649 N ILE A 46 5.200 0.516 15.103 1.00 0.00 N ATOM 650 CA ILE A 46 6.144 0.220 14.032 1.00 0.00 C ATOM 651 C ILE A 46 7.091 -0.907 14.431 1.00 0.00 C ATOM 652 O ILE A 46 8.232 -0.663 14.823 1.00 0.00 O ATOM 653 CB ILE A 46 6.972 1.462 13.654 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.056 2.668 13.440 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.797 1.189 12.405 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.108 2.508 12.271 1.00 0.00 C ATOM 0 H ILE A 46 5.403 1.371 15.620 1.00 0.00 H new ATOM 0 HA ILE A 46 5.556 -0.091 13.169 1.00 0.00 H new ATOM 0 HB ILE A 46 7.653 1.688 14.474 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.476 2.839 14.347 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.669 3.556 13.282 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.377 2.076 12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.473 0.355 12.591 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.133 0.940 11.577 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.489 3.401 12.179 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.681 2.368 11.354 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.470 1.640 12.436 1.00 0.00 H new ATOM 668 N TYR A 47 6.610 -2.142 14.329 1.00 0.00 N ATOM 669 CA TYR A 47 7.413 -3.307 14.679 1.00 0.00 C ATOM 670 C TYR A 47 6.648 -4.598 14.406 1.00 0.00 C ATOM 671 O TYR A 47 7.147 -5.495 13.727 1.00 0.00 O ATOM 672 CB TYR A 47 7.824 -3.247 16.152 1.00 0.00 C ATOM 673 CG TYR A 47 9.214 -3.778 16.416 1.00 0.00 C ATOM 674 CD1 TYR A 47 9.559 -5.078 16.069 1.00 0.00 C ATOM 675 CD2 TYR A 47 10.182 -2.979 17.012 1.00 0.00 C ATOM 676 CE1 TYR A 47 10.829 -5.568 16.309 1.00 0.00 C ATOM 677 CE2 TYR A 47 11.455 -3.461 17.255 1.00 0.00 C ATOM 678 CZ TYR A 47 11.773 -4.755 16.902 1.00 0.00 C ATOM 679 OH TYR A 47 13.038 -5.239 17.142 1.00 0.00 O ATOM 0 H TYR A 47 5.667 -2.361 14.007 1.00 0.00 H new ATOM 0 HA TYR A 47 8.309 -3.298 14.058 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.768 -2.214 16.494 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.108 -3.818 16.744 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.823 -5.717 15.604 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.936 -1.965 17.290 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.081 -6.582 16.034 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.196 -2.827 17.719 1.00 0.00 H new ATOM 0 HH TYR A 47 13.581 -4.540 17.563 1.00 0.00 H new ATOM 689 N ASP A 48 5.433 -4.684 14.939 1.00 0.00 N ATOM 690 CA ASP A 48 4.598 -5.864 14.752 1.00 0.00 C ATOM 691 C ASP A 48 4.311 -6.100 13.273 1.00 0.00 C ATOM 692 O ASP A 48 4.807 -5.374 12.411 1.00 0.00 O ATOM 693 CB ASP A 48 3.284 -5.712 15.520 1.00 0.00 C ATOM 694 CG ASP A 48 3.500 -5.260 16.951 1.00 0.00 C ATOM 695 OD1 ASP A 48 3.669 -6.132 17.830 1.00 0.00 O ATOM 696 OD2 ASP A 48 3.500 -4.035 17.193 1.00 0.00 O1- ATOM 0 H ASP A 48 5.005 -3.950 15.504 1.00 0.00 H new ATOM 0 HA ASP A 48 5.140 -6.726 15.140 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.647 -4.992 15.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.753 -6.664 15.519 1.00 0.00 H new ATOM 701 N ALA A 49 3.508 -7.119 12.986 1.00 0.00 N ATOM 702 CA ALA A 49 3.154 -7.449 11.611 1.00 0.00 C ATOM 703 C ALA A 49 2.088 -8.543 11.565 1.00 0.00 C ATOM 704 O ALA A 49 2.341 -9.648 11.083 1.00 0.00 O ATOM 705 CB ALA A 49 4.392 -7.880 10.839 1.00 0.00 C ATOM 0 H ALA A 49 3.090 -7.730 13.687 1.00 0.00 H new ATOM 0 HA ALA A 49 2.739 -6.556 11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.115 -8.124 9.813 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.119 -7.068 10.835 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.830 -8.757 11.315 1.00 0.00 H new ATOM 711 N PRO A 50 0.877 -8.249 12.069 1.00 0.00 N ATOM 712 CA PRO A 50 -0.228 -9.214 12.083 1.00 0.00 C ATOM 713 C PRO A 50 -0.647 -9.633 10.680 1.00 0.00 C ATOM 714 O PRO A 50 -0.497 -10.792 10.293 1.00 0.00 O ATOM 715 CB PRO A 50 -1.370 -8.460 12.779 1.00 0.00 C ATOM 716 CG PRO A 50 -0.715 -7.322 13.487 1.00 0.00 C ATOM 717 CD PRO A 50 0.487 -6.961 12.664 1.00 0.00 C ATOM 0 HA PRO A 50 0.053 -10.138 12.588 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.104 -8.104 12.056 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.899 -9.107 13.479 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.395 -6.475 13.577 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.425 -7.607 14.498 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.247 -6.220 11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.285 -6.541 13.277 1.00 0.00 H new ATOM 725 N LEU A 51 -1.173 -8.679 9.924 1.00 0.00 N ATOM 726 CA LEU A 51 -1.619 -8.936 8.558 1.00 0.00 C ATOM 727 C LEU A 51 -2.622 -10.087 8.520 1.00 0.00 C ATOM 728 O LEU A 51 -2.444 -11.057 7.781 1.00 0.00 O ATOM 729 CB LEU A 51 -0.422 -9.251 7.658 1.00 0.00 C ATOM 730 CG LEU A 51 -0.505 -8.671 6.245 1.00 0.00 C ATOM 731 CD1 LEU A 51 0.731 -9.042 5.440 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.765 -9.157 5.544 1.00 0.00 C ATOM 0 H LEU A 51 -1.302 -7.716 10.234 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.113 -8.038 8.188 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.482 -8.875 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.317 -10.333 7.585 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.550 -7.585 6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.653 -8.620 4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.619 -8.645 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.809 -10.127 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.809 -8.735 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.749 -10.245 5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.641 -8.840 6.109 1.00 0.00 H new ATOM 744 N ASN A 52 -3.677 -9.972 9.321 1.00 0.00 N ATOM 745 CA ASN A 52 -4.709 -11.001 9.380 1.00 0.00 C ATOM 746 C ASN A 52 -5.332 -11.230 8.007 1.00 0.00 C ATOM 747 O ASN A 52 -5.764 -12.337 7.687 1.00 0.00 O ATOM 748 CB ASN A 52 -5.793 -10.608 10.385 1.00 0.00 C ATOM 749 CG ASN A 52 -6.764 -11.739 10.660 1.00 0.00 C ATOM 750 OD1 ASN A 52 -6.390 -12.774 11.212 1.00 0.00 O ATOM 751 ND2 ASN A 52 -8.021 -11.547 10.275 1.00 0.00 N ATOM 0 H ASN A 52 -3.839 -9.176 9.938 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.240 -11.930 9.705 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.324 -10.300 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.342 -9.746 10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.720 -12.273 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.287 -10.673 9.821 1.00 0.00 H new ATOM 758 N ASN A 53 -5.374 -10.176 7.198 1.00 0.00 N ATOM 759 CA ASN A 53 -5.943 -10.263 5.859 1.00 0.00 C ATOM 760 C ASN A 53 -4.913 -10.790 4.864 1.00 0.00 C ATOM 761 O ASN A 53 -4.593 -10.128 3.875 1.00 0.00 O ATOM 762 CB ASN A 53 -6.454 -8.892 5.410 1.00 0.00 C ATOM 763 CG ASN A 53 -5.346 -7.860 5.330 1.00 0.00 C ATOM 764 OD1 ASN A 53 -4.749 -7.655 4.274 1.00 0.00 O ATOM 765 ND2 ASN A 53 -5.066 -7.204 6.450 1.00 0.00 N ATOM 0 H ASN A 53 -5.021 -9.252 7.447 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.780 -10.961 5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.930 -8.986 4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.219 -8.547 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.330 -6.498 6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.587 -7.406 7.303 1.00 0.00 H new ATOM 772 N GLU A 54 -4.398 -11.985 5.132 1.00 0.00 N ATOM 773 CA GLU A 54 -3.404 -12.602 4.261 1.00 0.00 C ATOM 774 C GLU A 54 -4.051 -13.598 3.300 1.00 0.00 C ATOM 775 O GLU A 54 -3.369 -14.438 2.714 1.00 0.00 O ATOM 776 CB GLU A 54 -2.333 -13.307 5.096 1.00 0.00 C ATOM 777 CG GLU A 54 -2.902 -14.198 6.188 1.00 0.00 C ATOM 778 CD GLU A 54 -1.968 -15.333 6.559 1.00 0.00 C ATOM 779 OE1 GLU A 54 -0.831 -15.050 6.990 1.00 0.00 O ATOM 780 OE2 GLU A 54 -2.375 -16.506 6.419 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.652 -12.546 5.945 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.940 -11.811 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.708 -13.909 4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.686 -12.557 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.106 -13.596 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.855 -14.610 5.856 1.00 0.00 H new ATOM 787 N ASN A 55 -5.369 -13.501 3.142 1.00 0.00 N ATOM 788 CA ASN A 55 -6.099 -14.396 2.252 1.00 0.00 C ATOM 789 C ASN A 55 -5.568 -14.297 0.825 1.00 0.00 C ATOM 790 O ASN A 55 -5.597 -15.271 0.073 1.00 0.00 O ATOM 791 CB ASN A 55 -7.593 -14.066 2.276 1.00 0.00 C ATOM 792 CG ASN A 55 -7.869 -12.609 1.959 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.004 -11.751 2.129 1.00 0.00 O ATOM 794 ND2 ASN A 55 -9.080 -12.324 1.496 1.00 0.00 N ATOM 0 H ASN A 55 -5.951 -12.812 3.619 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.953 -15.417 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.113 -14.697 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.999 -14.304 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.324 -11.361 1.265 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.766 -13.068 1.371 1.00 0.00 H new ATOM 801 N GLY A 56 -5.083 -13.115 0.460 1.00 0.00 N ATOM 802 CA GLY A 56 -4.551 -12.911 -0.875 1.00 0.00 C ATOM 803 C GLY A 56 -5.241 -11.776 -1.607 1.00 0.00 C ATOM 804 O GLY A 56 -4.583 -10.899 -2.167 1.00 0.00 O ATOM 0 H GLY A 56 -5.049 -12.294 1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.483 -12.701 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.660 -13.830 -1.451 1.00 0.00 H new ATOM 808 N PHE A 57 -6.569 -11.793 -1.603 1.00 0.00 N ATOM 809 CA PHE A 57 -7.348 -10.757 -2.271 1.00 0.00 C ATOM 810 C PHE A 57 -7.168 -9.411 -1.576 1.00 0.00 C ATOM 811 O PHE A 57 -7.050 -8.374 -2.230 1.00 0.00 O ATOM 812 CB PHE A 57 -8.829 -11.138 -2.295 1.00 0.00 C ATOM 813 CG PHE A 57 -9.080 -12.543 -2.762 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.978 -12.869 -4.105 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.417 -13.538 -1.859 1.00 0.00 C ATOM 816 CE1 PHE A 57 -9.209 -14.161 -4.538 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.649 -14.832 -2.285 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.544 -15.144 -3.627 1.00 0.00 C ATOM 0 H PHE A 57 -7.129 -12.512 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.987 -10.669 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.243 -11.017 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.363 -10.446 -2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.715 -12.105 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.499 -13.299 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.128 -14.402 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.912 -15.598 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.724 -16.155 -3.963 1.00 0.00 H new ATOM 828 N ASP A 58 -7.147 -9.436 -0.248 1.00 0.00 N ATOM 829 CA ASP A 58 -6.981 -8.219 0.537 1.00 0.00 C ATOM 830 C ASP A 58 -5.573 -7.656 0.377 1.00 0.00 C ATOM 831 O ASP A 58 -5.395 -6.468 0.107 1.00 0.00 O ATOM 832 CB ASP A 58 -7.267 -8.496 2.014 1.00 0.00 C ATOM 833 CG ASP A 58 -8.728 -8.807 2.271 1.00 0.00 C ATOM 834 OD1 ASP A 58 -9.579 -8.373 1.466 1.00 0.00 O ATOM 835 OD2 ASP A 58 -9.022 -9.486 3.278 1.00 0.00 O1- ATOM 0 H ASP A 58 -7.243 -10.286 0.307 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.693 -7.480 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.656 -9.334 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.973 -7.630 2.607 1.00 0.00 H new ATOM 840 N LYS A 59 -4.573 -8.517 0.544 1.00 0.00 N ATOM 841 CA LYS A 59 -3.181 -8.103 0.417 1.00 0.00 C ATOM 842 C LYS A 59 -2.901 -7.563 -0.983 1.00 0.00 C ATOM 843 O LYS A 59 -2.196 -6.567 -1.146 1.00 0.00 O ATOM 844 CB LYS A 59 -2.246 -9.277 0.728 1.00 0.00 C ATOM 845 CG LYS A 59 -2.204 -10.336 -0.362 1.00 0.00 C ATOM 846 CD LYS A 59 -1.179 -11.416 -0.050 1.00 0.00 C ATOM 847 CE LYS A 59 0.117 -11.189 -0.811 1.00 0.00 C ATOM 848 NZ LYS A 59 1.236 -12.000 -0.257 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.701 -9.504 0.767 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.996 -7.305 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.238 -8.894 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.562 -9.743 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.190 -10.789 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.962 -9.868 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.976 -11.428 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.588 -12.393 -0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.030 -11.442 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.381 -10.132 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.134 -11.683 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.273 -11.881 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.083 -13.003 -0.484 1.00 0.00 H new ATOM 862 N GLU A 60 -3.459 -8.229 -1.989 1.00 0.00 N ATOM 863 CA GLU A 60 -3.271 -7.818 -3.375 1.00 0.00 C ATOM 864 C GLU A 60 -3.918 -6.462 -3.633 1.00 0.00 C ATOM 865 O GLU A 60 -3.288 -5.556 -4.179 1.00 0.00 O ATOM 866 CB GLU A 60 -3.856 -8.865 -4.324 1.00 0.00 C ATOM 867 CG GLU A 60 -2.896 -9.998 -4.648 1.00 0.00 C ATOM 868 CD GLU A 60 -3.253 -10.715 -5.935 1.00 0.00 C ATOM 869 OE1 GLU A 60 -4.413 -11.161 -6.063 1.00 0.00 O ATOM 870 OE2 GLU A 60 -2.374 -10.830 -6.815 1.00 0.00 O1- ATOM 0 H GLU A 60 -4.045 -9.055 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.200 -7.730 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.759 -9.282 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.154 -8.376 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.884 -9.600 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.894 -10.714 -3.826 1.00 0.00 H new ATOM 877 N ASP A 61 -5.180 -6.329 -3.235 1.00 0.00 N ATOM 878 CA ASP A 61 -5.912 -5.081 -3.423 1.00 0.00 C ATOM 879 C ASP A 61 -5.201 -3.925 -2.726 1.00 0.00 C ATOM 880 O ASP A 61 -5.074 -2.835 -3.284 1.00 0.00 O ATOM 881 CB ASP A 61 -7.338 -5.217 -2.885 1.00 0.00 C ATOM 882 CG ASP A 61 -8.219 -6.056 -3.789 1.00 0.00 C ATOM 883 OD1 ASP A 61 -8.247 -5.786 -5.009 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.882 -6.983 -3.278 1.00 0.00 O ATOM 0 H ASP A 61 -5.716 -7.069 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.953 -4.868 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.308 -5.667 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.777 -4.226 -2.772 1.00 0.00 H new ATOM 889 N LEU A 62 -4.739 -4.172 -1.506 1.00 0.00 N ATOM 890 CA LEU A 62 -4.038 -3.154 -0.732 1.00 0.00 C ATOM 891 C LEU A 62 -2.762 -2.714 -1.442 1.00 0.00 C ATOM 892 O LEU A 62 -2.548 -1.524 -1.675 1.00 0.00 O ATOM 893 CB LEU A 62 -3.707 -3.686 0.665 1.00 0.00 C ATOM 894 CG LEU A 62 -2.834 -2.771 1.529 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.279 -1.320 1.408 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.877 -3.220 2.980 1.00 0.00 C ATOM 0 H LEU A 62 -4.837 -5.069 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.693 -2.288 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.641 -3.873 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.203 -4.646 0.559 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.807 -2.840 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.643 -0.691 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.199 -1.000 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.314 -1.228 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.252 -2.561 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.904 -3.179 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.506 -4.242 3.056 1.00 0.00 H new ATOM 908 N ALA A 63 -1.916 -3.681 -1.786 1.00 0.00 N ATOM 909 CA ALA A 63 -0.661 -3.391 -2.471 1.00 0.00 C ATOM 910 C ALA A 63 -0.907 -2.615 -3.761 1.00 0.00 C ATOM 911 O ALA A 63 -0.338 -1.543 -3.971 1.00 0.00 O ATOM 912 CB ALA A 63 0.090 -4.681 -2.763 1.00 0.00 C ATOM 0 H ALA A 63 -2.077 -4.671 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.052 -2.770 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.025 -4.450 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.306 -5.196 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.522 -5.323 -3.397 1.00 0.00 H new ATOM 918 N ARG A 64 -1.759 -3.162 -4.622 1.00 0.00 N ATOM 919 CA ARG A 64 -2.083 -2.520 -5.890 1.00 0.00 C ATOM 920 C ARG A 64 -2.724 -1.156 -5.657 1.00 0.00 C ATOM 921 O ARG A 64 -2.498 -0.214 -6.416 1.00 0.00 O ATOM 922 CB ARG A 64 -3.022 -3.406 -6.710 1.00 0.00 C ATOM 923 CG ARG A 64 -2.757 -3.352 -8.206 1.00 0.00 C ATOM 924 CD ARG A 64 -3.026 -1.966 -8.770 1.00 0.00 C ATOM 925 NE ARG A 64 -3.495 -2.019 -10.152 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.735 -2.390 -11.180 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.469 -2.740 -10.985 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.241 -2.410 -12.405 1.00 0.00 N ATOM 0 H ARG A 64 -2.238 -4.049 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.156 -2.377 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.925 -4.437 -6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.052 -3.103 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.722 -3.632 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.387 -4.082 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.770 -1.462 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.114 -1.371 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.462 -1.756 -10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.075 -2.725 -10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.891 -3.024 -11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.213 -2.141 -12.560 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.659 -2.694 -13.193 1.00 0.00 H new ATOM 942 N PHE A 65 -3.524 -1.059 -4.599 1.00 0.00 N ATOM 943 CA PHE A 65 -4.198 0.189 -4.262 1.00 0.00 C ATOM 944 C PHE A 65 -3.184 1.301 -4.013 1.00 0.00 C ATOM 945 O PHE A 65 -3.210 2.336 -4.677 1.00 0.00 O ATOM 946 CB PHE A 65 -5.081 -0.004 -3.026 1.00 0.00 C ATOM 947 CG PHE A 65 -5.773 1.251 -2.576 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.690 1.886 -3.398 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.506 1.796 -1.330 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.328 3.041 -2.986 1.00 0.00 C ATOM 951 CE2 PHE A 65 -6.140 2.950 -0.913 1.00 0.00 C ATOM 952 CZ PHE A 65 -7.052 3.574 -1.742 1.00 0.00 C ATOM 0 H PHE A 65 -3.721 -1.830 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.826 0.478 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.831 -0.765 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.468 -0.384 -2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.909 1.474 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.794 1.313 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.041 3.526 -3.636 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.923 3.364 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.548 4.477 -1.418 1.00 0.00 H new ATOM 962 N ALA A 66 -2.293 1.079 -3.052 1.00 0.00 N ATOM 963 CA ALA A 66 -1.270 2.063 -2.718 1.00 0.00 C ATOM 964 C ALA A 66 -0.387 2.366 -3.924 1.00 0.00 C ATOM 965 O ALA A 66 -0.234 3.523 -4.321 1.00 0.00 O ATOM 966 CB ALA A 66 -0.424 1.571 -1.553 1.00 0.00 C ATOM 0 H ALA A 66 -2.259 0.227 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.770 2.986 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.335 2.316 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.061 1.411 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.060 0.633 -1.826 1.00 0.00 H new ATOM 972 N VAL A 67 0.191 1.320 -4.506 1.00 0.00 N ATOM 973 CA VAL A 67 1.058 1.473 -5.668 1.00 0.00 C ATOM 974 C VAL A 67 0.370 2.282 -6.764 1.00 0.00 C ATOM 975 O VAL A 67 0.893 3.298 -7.222 1.00 0.00 O ATOM 976 CB VAL A 67 1.479 0.106 -6.240 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.466 0.284 -7.384 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.070 -0.773 -5.147 1.00 0.00 C ATOM 0 H VAL A 67 0.074 0.357 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 67 1.947 2.005 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 67 0.591 -0.390 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.751 -0.693 -7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.002 0.870 -8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.353 0.803 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.361 -1.734 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.946 -0.284 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.327 -0.931 -4.366 1.00 0.00 H new ATOM 988 N ARG A 68 -0.807 1.825 -7.178 1.00 0.00 N ATOM 989 CA ARG A 68 -1.569 2.504 -8.218 1.00 0.00 C ATOM 990 C ARG A 68 -1.985 3.901 -7.765 1.00 0.00 C ATOM 991 O ARG A 68 -2.140 4.808 -8.582 1.00 0.00 O ATOM 992 CB ARG A 68 -2.806 1.684 -8.590 1.00 0.00 C ATOM 993 CG ARG A 68 -3.670 2.333 -9.659 1.00 0.00 C ATOM 994 CD ARG A 68 -4.503 1.302 -10.404 1.00 0.00 C ATOM 995 NE ARG A 68 -3.892 0.920 -11.675 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.552 0.324 -12.666 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.842 0.041 -12.537 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.921 0.011 -13.789 1.00 0.00 N ATOM 0 H ARG A 68 -1.254 0.986 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.931 2.603 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.488 0.701 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.408 1.525 -7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.328 3.070 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.036 2.869 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.627 0.417 -9.780 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.499 1.704 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.901 1.122 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.333 0.280 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.343 -0.416 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.930 0.227 -13.894 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.427 -0.446 -14.548 1.00 0.00 H new ATOM 1012 N GLU A 69 -2.165 4.066 -6.458 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.563 5.353 -5.897 1.00 0.00 C ATOM 1014 C GLU A 69 -1.474 6.398 -6.113 1.00 0.00 C ATOM 1015 O GLU A 69 -1.758 7.541 -6.473 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.864 5.213 -4.404 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.302 6.512 -3.747 1.00 0.00 C ATOM 1018 CD GLU A 69 -4.486 7.150 -4.446 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -5.450 6.422 -4.764 1.00 0.00 O ATOM 1020 OE2 GLU A 69 -4.450 8.377 -4.675 1.00 0.00 O1- ATOM 0 H GLU A 69 -2.042 3.325 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.466 5.682 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.645 4.465 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.975 4.841 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.561 6.319 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.467 7.212 -3.743 1.00 0.00 H new ATOM 1027 N TYR A 70 -0.227 6.000 -5.890 1.00 0.00 N ATOM 1028 CA TYR A 70 0.905 6.903 -6.062 1.00 0.00 C ATOM 1029 C TYR A 70 1.442 6.850 -7.493 1.00 0.00 C ATOM 1030 O TYR A 70 2.201 7.722 -7.915 1.00 0.00 O ATOM 1031 CB TYR A 70 2.009 6.557 -5.055 1.00 0.00 C ATOM 1032 CG TYR A 70 3.099 5.656 -5.599 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.164 6.181 -6.321 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.062 4.284 -5.388 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.161 5.363 -6.818 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.056 3.460 -5.881 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.102 4.004 -6.595 1.00 0.00 C ATOM 1038 OH TYR A 70 6.093 3.186 -7.087 1.00 0.00 O ATOM 0 H TYR A 70 0.026 5.059 -5.590 1.00 0.00 H new ATOM 0 HA TYR A 70 0.564 7.921 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.464 7.483 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.555 6.074 -4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.213 7.245 -6.497 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.244 3.854 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 70 5.982 5.786 -7.378 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.013 2.395 -5.708 1.00 0.00 H new ATOM 0 HH TYR A 70 6.322 2.510 -6.416 1.00 0.00 H new ATOM 1048 N ASN A 71 1.048 5.817 -8.231 1.00 0.00 N ATOM 1049 CA ASN A 71 1.494 5.648 -9.610 1.00 0.00 C ATOM 1050 C ASN A 71 0.595 6.406 -10.584 1.00 0.00 C ATOM 1051 O ASN A 71 1.059 6.902 -11.611 1.00 0.00 O ATOM 1052 CB ASN A 71 1.522 4.164 -9.979 1.00 0.00 C ATOM 1053 CG ASN A 71 2.859 3.521 -9.676 1.00 0.00 C ATOM 1054 OD1 ASN A 71 2.930 2.496 -8.998 1.00 0.00 O ATOM 1055 ND2 ASN A 71 3.931 4.122 -10.179 1.00 0.00 N ATOM 0 H ASN A 71 0.421 5.085 -7.898 1.00 0.00 H new ATOM 0 HA ASN A 71 2.501 6.059 -9.686 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.738 3.641 -9.432 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.300 4.052 -11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.859 3.735 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.826 4.970 -10.736 1.00 0.00 H new ATOM 1062 N ASN A 72 -0.692 6.485 -10.263 1.00 0.00 N ATOM 1063 CA ASN A 72 -1.650 7.175 -11.121 1.00 0.00 C ATOM 1064 C ASN A 72 -1.486 8.691 -11.029 1.00 0.00 C ATOM 1065 O ASN A 72 -1.657 9.404 -12.018 1.00 0.00 O ATOM 1066 CB ASN A 72 -3.083 6.769 -10.751 1.00 0.00 C ATOM 1067 CG ASN A 72 -3.644 7.565 -9.586 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -4.267 8.610 -9.776 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -3.426 7.073 -8.372 1.00 0.00 N ATOM 0 H ASN A 72 -1.096 6.081 -9.418 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.453 6.879 -12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.728 6.903 -11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.101 5.708 -10.501 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.780 7.565 -7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.905 6.204 -8.260 1.00 0.00 H new ATOM 1076 N LYS A 73 -1.162 9.177 -9.835 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.986 10.610 -9.612 1.00 0.00 C ATOM 1078 C LYS A 73 -0.032 11.222 -10.637 1.00 0.00 C ATOM 1079 O LYS A 73 -0.295 12.299 -11.172 1.00 0.00 O ATOM 1080 CB LYS A 73 -0.472 10.879 -8.195 1.00 0.00 C ATOM 1081 CG LYS A 73 0.564 9.878 -7.716 1.00 0.00 C ATOM 1082 CD LYS A 73 1.238 10.343 -6.436 1.00 0.00 C ATOM 1083 CE LYS A 73 2.713 9.975 -6.417 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.529 10.983 -5.687 1.00 0.00 N1+ ATOM 0 H LYS A 73 -1.016 8.601 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.962 11.081 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.040 11.879 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.316 10.872 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.088 8.912 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.316 9.731 -8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.130 11.423 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.739 9.894 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.837 8.999 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.078 9.885 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.528 10.694 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.431 11.909 -6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.199 11.051 -4.703 1.00 0.00 H new ATOM 1098 N ASN A 74 1.074 10.533 -10.907 1.00 0.00 N ATOM 1099 CA ASN A 74 2.057 11.022 -11.869 1.00 0.00 C ATOM 1100 C ASN A 74 3.195 10.021 -12.061 1.00 0.00 C ATOM 1101 O ASN A 74 3.704 9.850 -13.168 1.00 0.00 O ATOM 1102 CB ASN A 74 2.618 12.376 -11.416 1.00 0.00 C ATOM 1103 CG ASN A 74 3.615 12.249 -10.278 1.00 0.00 C ATOM 1104 OD1 ASN A 74 3.161 11.719 -9.147 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 4.779 12.624 -10.413 1.00 0.00 N flip ATOM 0 H ASN A 74 1.311 9.639 -10.476 1.00 0.00 H new ATOM 0 HA ASN A 74 1.552 11.146 -12.827 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.100 12.866 -12.262 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.795 13.018 -11.102 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.086 13.025 -11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.437 12.533 -9.639 1.00 0.00 H new ATOM 1112 N ASN A 75 3.596 9.370 -10.972 1.00 0.00 N ATOM 1113 CA ASN A 75 4.682 8.392 -11.015 1.00 0.00 C ATOM 1114 C ASN A 75 4.509 7.416 -12.178 1.00 0.00 C ATOM 1115 O ASN A 75 3.475 7.406 -12.845 1.00 0.00 O ATOM 1116 CB ASN A 75 4.754 7.624 -9.693 1.00 0.00 C ATOM 1117 CG ASN A 75 6.168 7.537 -9.152 1.00 0.00 C ATOM 1118 OD1 ASN A 75 6.633 8.437 -8.452 1.00 0.00 O ATOM 1119 ND2 ASN A 75 6.860 6.451 -9.476 1.00 0.00 N ATOM 0 H ASN A 75 3.185 9.502 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 75 5.614 8.936 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.116 8.112 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.361 6.618 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.817 6.338 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.434 5.730 -10.059 1.00 0.00 H new ATOM 1126 N ALA A 76 5.532 6.599 -12.414 1.00 0.00 N ATOM 1127 CA ALA A 76 5.501 5.620 -13.496 1.00 0.00 C ATOM 1128 C ALA A 76 4.295 4.694 -13.372 1.00 0.00 C ATOM 1129 O ALA A 76 3.390 4.942 -12.575 1.00 0.00 O ATOM 1130 CB ALA A 76 6.790 4.811 -13.510 1.00 0.00 C ATOM 0 H ALA A 76 6.394 6.596 -11.869 1.00 0.00 H new ATOM 0 HA ALA A 76 5.411 6.162 -14.438 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.755 4.084 -14.322 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.638 5.480 -13.659 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.902 4.289 -12.560 1.00 0.00 H new ATOM 1136 N LEU A 77 4.288 3.628 -14.166 1.00 0.00 N ATOM 1137 CA LEU A 77 3.191 2.668 -14.145 1.00 0.00 C ATOM 1138 C LEU A 77 3.682 1.277 -13.752 1.00 0.00 C ATOM 1139 O LEU A 77 3.247 0.272 -14.315 1.00 0.00 O ATOM 1140 CB LEU A 77 2.505 2.613 -15.511 1.00 0.00 C ATOM 1141 CG LEU A 77 0.991 2.401 -15.462 1.00 0.00 C ATOM 1142 CD1 LEU A 77 0.650 1.190 -14.606 1.00 0.00 C ATOM 1143 CD2 LEU A 77 0.300 3.646 -14.927 1.00 0.00 C ATOM 0 H LEU A 77 5.029 3.408 -14.831 1.00 0.00 H new ATOM 0 HA LEU A 77 2.471 3.000 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.710 3.542 -16.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.952 1.807 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 77 0.633 2.216 -16.475 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.431 1.054 -14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.118 0.302 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.018 1.346 -13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.777 3.480 -14.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.662 3.859 -13.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.519 4.492 -15.578 1.00 0.00 H new ATOM 1155 N LEU A 78 4.585 1.227 -12.780 1.00 0.00 N ATOM 1156 CA LEU A 78 5.133 -0.042 -12.307 1.00 0.00 C ATOM 1157 C LEU A 78 4.015 -0.994 -11.889 1.00 0.00 C ATOM 1158 O LEU A 78 2.849 -0.603 -11.824 1.00 0.00 O ATOM 1159 CB LEU A 78 6.091 0.187 -11.133 1.00 0.00 C ATOM 1160 CG LEU A 78 5.680 1.293 -10.152 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.265 0.701 -8.814 1.00 0.00 C ATOM 1162 CD2 LEU A 78 6.818 2.287 -9.964 1.00 0.00 C ATOM 0 H LEU A 78 4.954 2.049 -12.303 1.00 0.00 H new ATOM 0 HA LEU A 78 5.687 -0.495 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.190 -0.747 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.076 0.427 -11.532 1.00 0.00 H new ATOM 0 HG LEU A 78 4.824 1.821 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.978 1.503 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.419 0.029 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.100 0.146 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.510 3.065 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.692 1.769 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.068 2.740 -10.924 1.00 0.00 H new ATOM 1174 N GLU A 79 4.373 -2.245 -11.610 1.00 0.00 N ATOM 1175 CA GLU A 79 3.387 -3.242 -11.204 1.00 0.00 C ATOM 1176 C GLU A 79 3.899 -4.085 -10.041 1.00 0.00 C ATOM 1177 O GLU A 79 5.027 -4.577 -10.067 1.00 0.00 O ATOM 1178 CB GLU A 79 3.033 -4.147 -12.386 1.00 0.00 C ATOM 1179 CG GLU A 79 2.300 -3.427 -13.506 1.00 0.00 C ATOM 1180 CD GLU A 79 0.803 -3.668 -13.471 1.00 0.00 C ATOM 1181 OE1 GLU A 79 0.393 -4.840 -13.336 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 0.041 -2.684 -13.580 1.00 0.00 O ATOM 0 H GLU A 79 5.332 -2.590 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 79 2.493 -2.713 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.948 -4.584 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.415 -4.971 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.494 -2.357 -13.433 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.696 -3.758 -14.466 1.00 0.00 H new ATOM 1189 N PHE A 80 3.060 -4.252 -9.023 1.00 0.00 N ATOM 1190 CA PHE A 80 3.425 -5.040 -7.851 1.00 0.00 C ATOM 1191 C PHE A 80 3.174 -6.526 -8.099 1.00 0.00 C ATOM 1192 O PHE A 80 2.268 -6.895 -8.848 1.00 0.00 O ATOM 1193 CB PHE A 80 2.644 -4.554 -6.620 1.00 0.00 C ATOM 1194 CG PHE A 80 1.439 -5.390 -6.282 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.248 -5.224 -6.971 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.503 -6.343 -5.279 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.857 -5.995 -6.665 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.401 -7.117 -4.968 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.781 -6.942 -5.662 1.00 0.00 C ATOM 0 H PHE A 80 2.122 -3.852 -8.986 1.00 0.00 H new ATOM 0 HA PHE A 80 4.490 -4.906 -7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.315 -4.540 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.323 -3.526 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.183 -4.484 -7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.425 -6.483 -4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.779 -5.857 -7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.464 -7.857 -4.184 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.644 -7.545 -5.421 1.00 0.00 H new ATOM 1209 N VAL A 81 3.978 -7.374 -7.466 1.00 0.00 N ATOM 1210 CA VAL A 81 3.836 -8.816 -7.620 1.00 0.00 C ATOM 1211 C VAL A 81 3.182 -9.436 -6.390 1.00 0.00 C ATOM 1212 O VAL A 81 2.384 -10.366 -6.502 1.00 0.00 O ATOM 1213 CB VAL A 81 5.197 -9.495 -7.863 1.00 0.00 C ATOM 1214 CG1 VAL A 81 5.700 -9.198 -9.267 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.211 -9.050 -6.820 1.00 0.00 C ATOM 0 H VAL A 81 4.733 -7.088 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 81 3.200 -8.980 -8.490 1.00 0.00 H new ATOM 0 HB VAL A 81 5.065 -10.573 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.663 -9.686 -9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.983 -9.573 -9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.815 -8.121 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.166 -9.540 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.341 -7.969 -6.877 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.854 -9.321 -5.826 1.00 0.00 H new ATOM 1225 N ARG A 82 3.525 -8.911 -5.217 1.00 0.00 N ATOM 1226 CA ARG A 82 2.971 -9.409 -3.960 1.00 0.00 C ATOM 1227 C ARG A 82 3.589 -8.685 -2.769 1.00 0.00 C ATOM 1228 O ARG A 82 4.618 -8.022 -2.901 1.00 0.00 O ATOM 1229 CB ARG A 82 3.205 -10.911 -3.829 1.00 0.00 C ATOM 1230 CG ARG A 82 4.657 -11.297 -3.992 1.00 0.00 C ATOM 1231 CD ARG A 82 4.809 -12.750 -4.413 1.00 0.00 C ATOM 1232 NE ARG A 82 5.934 -12.941 -5.325 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.210 -12.844 -4.959 1.00 0.00 C ATOM 1234 NH1 ARG A 82 7.527 -12.558 -3.702 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.172 -13.033 -5.852 1.00 0.00 N ATOM 0 H ARG A 82 4.184 -8.140 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 82 1.898 -9.216 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.853 -11.245 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.609 -11.433 -4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.124 -10.652 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.185 -11.133 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.950 -13.371 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.891 -13.086 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 82 5.730 -13.162 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.791 -12.411 -3.011 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.507 -12.485 -3.427 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.934 -13.253 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.150 -12.959 -5.572 1.00 0.00 H new ATOM 1249 N VAL A 83 2.957 -8.816 -1.608 1.00 0.00 N ATOM 1250 CA VAL A 83 3.446 -8.172 -0.397 1.00 0.00 C ATOM 1251 C VAL A 83 4.442 -9.062 0.342 1.00 0.00 C ATOM 1252 O VAL A 83 4.281 -10.282 0.395 1.00 0.00 O ATOM 1253 CB VAL A 83 2.285 -7.804 0.553 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.176 -7.091 -0.207 1.00 0.00 C ATOM 1255 CG2 VAL A 83 1.746 -9.041 1.260 1.00 0.00 C ATOM 0 H VAL A 83 2.105 -9.362 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 83 3.951 -7.258 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 83 2.672 -7.125 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.367 -6.840 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.570 -6.178 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.795 -7.744 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.930 -8.754 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.380 -9.753 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.542 -9.502 1.844 1.00 0.00 H new ATOM 1265 N VAL A 84 5.470 -8.443 0.911 1.00 0.00 N ATOM 1266 CA VAL A 84 6.492 -9.177 1.648 1.00 0.00 C ATOM 1267 C VAL A 84 6.542 -8.750 3.117 1.00 0.00 C ATOM 1268 O VAL A 84 7.137 -9.437 3.947 1.00 0.00 O ATOM 1269 CB VAL A 84 7.886 -8.981 1.017 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.281 -7.512 1.027 1.00 0.00 C ATOM 1271 CG2 VAL A 84 8.925 -9.828 1.739 1.00 0.00 C ATOM 0 H VAL A 84 5.618 -7.434 0.876 1.00 0.00 H new ATOM 0 HA VAL A 84 6.219 -10.231 1.595 1.00 0.00 H new ATOM 0 HB VAL A 84 7.841 -9.310 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.267 -7.397 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.553 -6.936 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.306 -7.149 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 84 9.902 -9.676 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.968 -9.535 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.650 -10.880 1.667 1.00 0.00 H new ATOM 1281 N LYS A 85 5.917 -7.617 3.435 1.00 0.00 N ATOM 1282 CA LYS A 85 5.903 -7.118 4.808 1.00 0.00 C ATOM 1283 C LYS A 85 4.609 -6.368 5.107 1.00 0.00 C ATOM 1284 O LYS A 85 3.947 -5.863 4.200 1.00 0.00 O ATOM 1285 CB LYS A 85 7.101 -6.199 5.057 1.00 0.00 C ATOM 1286 CG LYS A 85 8.374 -6.653 4.363 1.00 0.00 C ATOM 1287 CD LYS A 85 9.585 -5.878 4.857 1.00 0.00 C ATOM 1288 CE LYS A 85 10.670 -5.802 3.795 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.033 -5.904 4.384 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.417 -7.032 2.766 1.00 0.00 H new ATOM 0 HA LYS A 85 5.967 -7.978 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.852 -5.193 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.284 -6.138 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.526 -7.718 4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.270 -6.520 3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.282 -4.870 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.983 -6.356 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.526 -6.605 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.579 -4.862 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.744 -5.848 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.180 -5.124 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.129 -6.812 4.882 1.00 0.00 H new ATOM 1303 N ALA A 86 4.259 -6.298 6.387 1.00 0.00 N ATOM 1304 CA ALA A 86 3.047 -5.609 6.815 1.00 0.00 C ATOM 1305 C ALA A 86 3.167 -5.137 8.260 1.00 0.00 C ATOM 1306 O ALA A 86 3.537 -5.908 9.146 1.00 0.00 O ATOM 1307 CB ALA A 86 1.840 -6.520 6.654 1.00 0.00 C ATOM 0 H ALA A 86 4.799 -6.711 7.148 1.00 0.00 H new ATOM 0 HA ALA A 86 2.913 -4.731 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.942 -5.994 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.737 -6.806 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.975 -7.414 7.262 1.00 0.00 H new ATOM 1313 N LYS A 87 2.855 -3.866 8.491 1.00 0.00 N ATOM 1314 CA LYS A 87 2.929 -3.293 9.830 1.00 0.00 C ATOM 1315 C LYS A 87 1.730 -2.392 10.104 1.00 0.00 C ATOM 1316 O LYS A 87 1.143 -1.824 9.182 1.00 0.00 O ATOM 1317 CB LYS A 87 4.226 -2.498 9.995 1.00 0.00 C ATOM 1318 CG LYS A 87 5.478 -3.358 9.936 1.00 0.00 C ATOM 1319 CD LYS A 87 6.088 -3.360 8.544 1.00 0.00 C ATOM 1320 CE LYS A 87 7.204 -4.384 8.426 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.448 -3.933 9.110 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.549 -3.214 7.769 1.00 0.00 H new ATOM 0 HA LYS A 87 2.917 -4.112 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.279 -1.739 9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.201 -1.972 10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.209 -2.987 10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.233 -4.379 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.315 -3.577 7.807 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.477 -2.368 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.876 -5.330 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.416 -4.570 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.184 -4.660 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.776 -3.044 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.253 -3.780 10.120 1.00 0.00 H new ATOM 1335 N GLU A 88 1.369 -2.266 11.377 1.00 0.00 N ATOM 1336 CA GLU A 88 0.238 -1.435 11.773 1.00 0.00 C ATOM 1337 C GLU A 88 0.706 -0.210 12.554 1.00 0.00 C ATOM 1338 O GLU A 88 1.810 -0.192 13.096 1.00 0.00 O ATOM 1339 CB GLU A 88 -0.746 -2.246 12.617 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.165 -2.726 13.937 1.00 0.00 C ATOM 1341 CD GLU A 88 0.436 -4.115 13.840 1.00 0.00 C ATOM 1342 OE1 GLU A 88 1.263 -4.341 12.932 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.079 -4.975 14.671 1.00 0.00 O1- ATOM 0 H GLU A 88 1.844 -2.729 12.152 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.264 -1.095 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.627 -1.637 12.818 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.080 -3.109 12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.601 -2.025 14.269 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.948 -2.725 14.696 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.145 0.810 12.606 1.00 0.00 N ATOM 1351 CA GLN A 89 0.177 2.040 13.321 1.00 0.00 C ATOM 1352 C GLN A 89 -1.078 2.875 13.551 1.00 0.00 C ATOM 1353 O GLN A 89 -1.963 2.931 12.697 1.00 0.00 O ATOM 1354 CB GLN A 89 1.211 2.853 12.539 1.00 0.00 C ATOM 1355 CG GLN A 89 1.645 4.127 13.246 1.00 0.00 C ATOM 1356 CD GLN A 89 2.951 3.961 13.997 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.959 4.581 13.657 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.940 3.121 15.026 1.00 0.00 N ATOM 0 H GLN A 89 -1.063 0.809 12.161 1.00 0.00 H new ATOM 0 HA GLN A 89 0.597 1.771 14.290 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.088 2.231 12.358 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.796 3.111 11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.751 4.927 12.513 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.866 4.435 13.943 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.082 2.628 15.273 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.790 2.969 15.569 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.151 3.521 14.710 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.302 4.350 15.050 1.00 0.00 C ATOM 1369 C VAL A 90 -1.954 5.833 14.985 1.00 0.00 C ATOM 1370 O VAL A 90 -1.064 6.305 15.694 1.00 0.00 O ATOM 1371 CB VAL A 90 -2.836 4.021 16.456 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.151 4.741 16.710 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.001 2.519 16.627 1.00 0.00 C ATOM 0 H VAL A 90 -0.428 3.487 15.429 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.076 4.130 14.314 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.110 4.369 17.191 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.513 4.496 17.709 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.997 5.817 16.634 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.887 4.426 15.970 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.379 2.306 17.627 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.706 2.144 15.885 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.037 2.029 16.492 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.664 6.564 14.132 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.436 7.995 13.972 1.00 0.00 C ATOM 1385 C VAL A 91 -3.654 8.676 13.358 1.00 0.00 C ATOM 1386 O VAL A 91 -3.840 8.657 12.141 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.206 8.275 13.088 1.00 0.00 C ATOM 1388 CG1 VAL A 91 0.078 7.977 13.847 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.276 7.464 11.803 1.00 0.00 C ATOM 0 H VAL A 91 -3.404 6.187 13.540 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.256 8.401 14.968 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.206 9.332 12.823 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.935 8.181 13.206 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.131 8.607 14.735 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.089 6.929 14.145 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.399 7.675 11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.303 6.401 12.044 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.176 7.734 11.251 1.00 0.00 H new ATOM 1399 N SER A 92 -4.483 9.275 14.207 1.00 0.00 N ATOM 1400 CA SER A 92 -5.686 9.959 13.746 1.00 0.00 C ATOM 1401 C SER A 92 -6.620 8.988 13.029 1.00 0.00 C ATOM 1402 O SER A 92 -7.404 9.387 12.168 1.00 0.00 O ATOM 1403 CB SER A 92 -5.316 11.113 12.813 1.00 0.00 C ATOM 1404 OG SER A 92 -4.537 12.085 13.489 1.00 0.00 O ATOM 0 H SER A 92 -4.344 9.301 15.217 1.00 0.00 H new ATOM 0 HA SER A 92 -6.205 10.359 14.617 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.761 10.729 11.957 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.223 11.576 12.424 1.00 0.00 H new ATOM 0 HG SER A 92 -4.312 12.811 12.871 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.530 7.712 13.389 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.369 6.704 12.771 1.00 0.00 C ATOM 1412 C GLY A 93 -6.701 5.344 12.734 1.00 0.00 C ATOM 1413 O GLY A 93 -6.472 4.729 13.775 1.00 0.00 O ATOM 0 H GLY A 93 -5.889 7.358 14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.308 6.630 13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.616 7.013 11.755 1.00 0.00 H new ATOM 1417 N MET A 94 -6.384 4.876 11.532 1.00 0.00 N ATOM 1418 CA MET A 94 -5.736 3.581 11.364 1.00 0.00 C ATOM 1419 C MET A 94 -4.746 3.615 10.204 1.00 0.00 C ATOM 1420 O MET A 94 -5.134 3.779 9.047 1.00 0.00 O ATOM 1421 CB MET A 94 -6.782 2.490 11.126 1.00 0.00 C ATOM 1422 CG MET A 94 -7.626 2.180 12.351 1.00 0.00 C ATOM 1423 SD MET A 94 -6.736 1.207 13.580 1.00 0.00 S ATOM 1424 CE MET A 94 -6.821 2.296 15.000 1.00 0.00 C ATOM 0 H MET A 94 -6.565 5.374 10.660 1.00 0.00 H new ATOM 0 HA MET A 94 -5.188 3.355 12.279 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.438 2.798 10.312 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.278 1.579 10.802 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.958 3.114 12.804 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.521 1.639 12.043 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.949 1.703 15.906 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.899 2.874 15.071 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.667 2.974 14.888 1.00 0.00 H new ATOM 1434 N MET A 95 -3.465 3.455 10.521 1.00 0.00 N ATOM 1435 CA MET A 95 -2.417 3.463 9.507 1.00 0.00 C ATOM 1436 C MET A 95 -1.783 2.083 9.376 1.00 0.00 C ATOM 1437 O MET A 95 -1.644 1.358 10.361 1.00 0.00 O ATOM 1438 CB MET A 95 -1.347 4.499 9.856 1.00 0.00 C ATOM 1439 CG MET A 95 -0.683 5.121 8.638 1.00 0.00 C ATOM 1440 SD MET A 95 0.176 6.658 9.024 1.00 0.00 S ATOM 1441 CE MET A 95 -0.800 7.835 8.091 1.00 0.00 C ATOM 0 H MET A 95 -3.128 3.318 11.474 1.00 0.00 H new ATOM 0 HA MET A 95 -2.869 3.729 8.552 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.799 5.289 10.456 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.584 4.027 10.474 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.026 4.410 8.213 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.438 5.313 7.876 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.262 8.780 8.022 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.979 7.446 7.089 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.754 7.996 8.594 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.402 1.724 8.154 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.786 0.427 7.901 1.00 0.00 C ATOM 1453 C HIS A 96 0.388 0.553 6.936 1.00 0.00 C ATOM 1454 O HIS A 96 0.216 0.930 5.777 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.820 -0.549 7.338 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.432 -1.987 7.492 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.290 -2.601 8.719 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.157 -2.935 6.566 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -0.943 -3.863 8.540 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -0.856 -4.091 7.243 1.00 0.00 N ATOM 0 H HIS A 96 -1.509 2.311 7.327 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.409 0.044 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.774 -0.383 7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.973 -0.334 6.280 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -1.431 -2.151 9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.172 -2.806 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.761 -4.585 9.322 1.00 0.00 H new ATOM 1469 N TYR A 97 1.581 0.226 7.422 1.00 0.00 N ATOM 1470 CA TYR A 97 2.787 0.292 6.604 1.00 0.00 C ATOM 1471 C TYR A 97 3.153 -1.096 6.091 1.00 0.00 C ATOM 1472 O TYR A 97 3.691 -1.920 6.831 1.00 0.00 O ATOM 1473 CB TYR A 97 3.947 0.876 7.413 1.00 0.00 C ATOM 1474 CG TYR A 97 3.766 2.335 7.769 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.671 2.758 8.512 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.690 3.288 7.361 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.502 4.090 8.839 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.529 4.622 7.684 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.433 5.018 8.423 1.00 0.00 C ATOM 1480 OH TYR A 97 3.269 6.345 8.746 1.00 0.00 O ATOM 0 H TYR A 97 1.739 -0.088 8.380 1.00 0.00 H new ATOM 0 HA TYR A 97 2.593 0.942 5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.065 0.299 8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.869 0.762 6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.940 2.034 8.839 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.549 2.982 6.782 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.645 4.402 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.257 5.351 7.360 1.00 0.00 H new ATOM 0 HH TYR A 97 2.334 6.509 8.990 1.00 0.00 H new ATOM 1490 N LEU A 98 2.847 -1.356 4.824 1.00 0.00 N ATOM 1491 CA LEU A 98 3.132 -2.653 4.221 1.00 0.00 C ATOM 1492 C LEU A 98 4.146 -2.532 3.090 1.00 0.00 C ATOM 1493 O LEU A 98 4.117 -1.577 2.314 1.00 0.00 O ATOM 1494 CB LEU A 98 1.843 -3.283 3.692 1.00 0.00 C ATOM 1495 CG LEU A 98 1.208 -2.552 2.506 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.852 -3.532 1.399 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -0.023 -1.778 2.953 1.00 0.00 C ATOM 0 H LEU A 98 2.402 -0.687 4.196 1.00 0.00 H new ATOM 0 HA LEU A 98 3.559 -3.291 4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.053 -4.311 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.117 -3.327 4.504 1.00 0.00 H new ATOM 0 HG LEU A 98 1.935 -1.842 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.402 -2.992 0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.755 -4.039 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.144 -4.268 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.461 -1.265 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.753 -2.468 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.262 -1.045 3.708 1.00 0.00 H new ATOM 1509 N THR A 99 5.038 -3.513 2.997 1.00 0.00 N ATOM 1510 CA THR A 99 6.054 -3.526 1.955 1.00 0.00 C ATOM 1511 C THR A 99 5.763 -4.627 0.944 1.00 0.00 C ATOM 1512 O THR A 99 5.445 -5.755 1.320 1.00 0.00 O ATOM 1513 CB THR A 99 7.440 -3.730 2.566 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.497 -3.188 3.874 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.551 -3.095 1.757 1.00 0.00 C ATOM 0 H THR A 99 5.076 -4.310 3.633 1.00 0.00 H new ATOM 0 HA THR A 99 6.034 -2.564 1.442 1.00 0.00 H new ATOM 0 HB THR A 99 7.593 -4.809 2.579 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.432 -3.037 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.508 -3.277 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.567 -3.529 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.380 -2.021 1.684 1.00 0.00 H new ATOM 1523 N VAL A 100 5.865 -4.296 -0.338 1.00 0.00 N ATOM 1524 CA VAL A 100 5.603 -5.267 -1.394 1.00 0.00 C ATOM 1525 C VAL A 100 6.663 -5.198 -2.489 1.00 0.00 C ATOM 1526 O VAL A 100 7.381 -4.205 -2.614 1.00 0.00 O ATOM 1527 CB VAL A 100 4.203 -5.054 -2.016 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.160 -4.853 -0.928 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.204 -3.875 -2.982 1.00 0.00 C ATOM 0 H VAL A 100 6.126 -3.368 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 100 5.639 -6.254 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 100 3.946 -5.950 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.182 -4.705 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.131 -5.733 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.419 -3.977 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.207 -3.749 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.489 -2.968 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.916 -4.063 -3.785 1.00 0.00 H new ATOM 1539 N GLU A 101 6.749 -6.257 -3.287 1.00 0.00 N ATOM 1540 CA GLU A 101 7.712 -6.315 -4.379 1.00 0.00 C ATOM 1541 C GLU A 101 7.104 -5.734 -5.649 1.00 0.00 C ATOM 1542 O GLU A 101 5.984 -6.079 -6.025 1.00 0.00 O ATOM 1543 CB GLU A 101 8.159 -7.758 -4.620 1.00 0.00 C ATOM 1544 CG GLU A 101 9.481 -8.104 -3.954 1.00 0.00 C ATOM 1545 CD GLU A 101 9.796 -9.586 -4.019 1.00 0.00 C ATOM 1546 OE1 GLU A 101 9.211 -10.353 -3.226 1.00 0.00 O ATOM 1547 OE2 GLU A 101 10.628 -9.980 -4.863 1.00 0.00 O1- ATOM 0 H GLU A 101 6.163 -7.087 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 101 8.584 -5.722 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.388 -8.435 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.247 -7.928 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.283 -7.544 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.452 -7.788 -2.911 1.00 0.00 H new ATOM 1554 N VAL A 102 7.840 -4.841 -6.299 1.00 0.00 N ATOM 1555 CA VAL A 102 7.359 -4.204 -7.518 1.00 0.00 C ATOM 1556 C VAL A 102 8.334 -4.392 -8.675 1.00 0.00 C ATOM 1557 O VAL A 102 9.551 -4.366 -8.489 1.00 0.00 O ATOM 1558 CB VAL A 102 7.124 -2.698 -7.304 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.411 -2.090 -8.501 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.338 -2.456 -6.023 1.00 0.00 C ATOM 0 H VAL A 102 8.769 -4.542 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 102 6.415 -4.687 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 102 8.093 -2.210 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.255 -1.025 -8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.019 -2.228 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.447 -2.581 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.182 -1.386 -5.889 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.373 -2.958 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.896 -2.851 -5.174 1.00 0.00 H new ATOM 1570 N ASN A 103 7.785 -4.575 -9.871 1.00 0.00 N ATOM 1571 CA ASN A 103 8.592 -4.761 -11.069 1.00 0.00 C ATOM 1572 C ASN A 103 8.295 -3.667 -12.090 1.00 0.00 C ATOM 1573 O ASN A 103 7.175 -3.157 -12.160 1.00 0.00 O ATOM 1574 CB ASN A 103 8.323 -6.135 -11.683 1.00 0.00 C ATOM 1575 CG ASN A 103 9.248 -6.440 -12.845 1.00 0.00 C ATOM 1576 OD1 ASN A 103 8.962 -6.090 -13.990 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.365 -7.097 -12.556 1.00 0.00 N ATOM 0 H ASN A 103 6.779 -4.598 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 103 9.643 -4.700 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.441 -6.902 -10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.289 -6.182 -12.024 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.026 -7.331 -13.297 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.563 -7.368 -11.593 1.00 0.00 H new ATOM 1584 N ASP A 104 9.304 -3.308 -12.877 1.00 0.00 N ATOM 1585 CA ASP A 104 9.149 -2.272 -13.892 1.00 0.00 C ATOM 1586 C ASP A 104 10.042 -2.551 -15.098 1.00 0.00 C ATOM 1587 O ASP A 104 11.256 -2.357 -15.042 1.00 0.00 O ATOM 1588 CB ASP A 104 9.482 -0.900 -13.305 1.00 0.00 C ATOM 1589 CG ASP A 104 8.780 0.228 -14.037 1.00 0.00 C ATOM 1590 OD1 ASP A 104 7.606 0.506 -13.712 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 9.404 0.832 -14.934 1.00 0.00 O ATOM 0 H ASP A 104 10.237 -3.719 -12.832 1.00 0.00 H new ATOM 0 HA ASP A 104 8.110 -2.277 -14.223 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.198 -0.879 -12.253 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.560 -0.742 -13.347 1.00 0.00 H new ATOM 1596 N ALA A 105 9.431 -3.006 -16.187 1.00 0.00 N ATOM 1597 CA ALA A 105 10.169 -3.311 -17.408 1.00 0.00 C ATOM 1598 C ALA A 105 11.269 -4.334 -17.146 1.00 0.00 C ATOM 1599 O ALA A 105 12.306 -4.328 -17.809 1.00 0.00 O ATOM 1600 CB ALA A 105 10.758 -2.039 -17.998 1.00 0.00 C ATOM 0 H ALA A 105 8.426 -3.172 -16.249 1.00 0.00 H new ATOM 0 HA ALA A 105 9.472 -3.744 -18.126 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.306 -2.280 -18.909 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.955 -1.341 -18.232 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.436 -1.583 -17.276 1.00 0.00 H new ATOM 1606 N GLY A 106 11.037 -5.211 -16.175 1.00 0.00 N ATOM 1607 CA GLY A 106 12.018 -6.227 -15.844 1.00 0.00 C ATOM 1608 C GLY A 106 12.743 -5.932 -14.546 1.00 0.00 C ATOM 1609 O GLY A 106 13.204 -6.847 -13.863 1.00 0.00 O ATOM 0 H GLY A 106 10.187 -5.236 -15.612 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.523 -7.195 -15.768 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.744 -6.303 -16.653 1.00 0.00 H new ATOM 1613 N LYS A 107 12.845 -4.652 -14.203 1.00 0.00 N ATOM 1614 CA LYS A 107 13.519 -4.241 -12.978 1.00 0.00 C ATOM 1615 C LYS A 107 12.720 -4.665 -11.750 1.00 0.00 C ATOM 1616 O LYS A 107 11.653 -4.118 -11.473 1.00 0.00 O ATOM 1617 CB LYS A 107 13.725 -2.725 -12.968 1.00 0.00 C ATOM 1618 CG LYS A 107 15.022 -2.283 -13.627 1.00 0.00 C ATOM 1619 CD LYS A 107 15.421 -0.884 -13.187 1.00 0.00 C ATOM 1620 CE LYS A 107 14.636 0.181 -13.935 1.00 0.00 C ATOM 1621 NZ LYS A 107 14.771 1.521 -13.299 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.469 -3.882 -14.756 1.00 0.00 H new ATOM 0 HA LYS A 107 14.491 -4.733 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.887 -2.249 -13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.712 -2.372 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.817 -2.985 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 107 14.907 -2.306 -14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.252 -0.777 -12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 107 16.488 -0.738 -13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.985 0.232 -14.966 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.583 -0.100 -13.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.221 2.219 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.414 1.480 -12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.772 1.802 -13.290 1.00 0.00 H new ATOM 1635 N LYS A 108 13.245 -5.643 -11.018 1.00 0.00 N ATOM 1636 CA LYS A 108 12.581 -6.143 -9.819 1.00 0.00 C ATOM 1637 C LYS A 108 13.158 -5.491 -8.567 1.00 0.00 C ATOM 1638 O LYS A 108 14.375 -5.420 -8.397 1.00 0.00 O ATOM 1639 CB LYS A 108 12.727 -7.664 -9.731 1.00 0.00 C ATOM 1640 CG LYS A 108 12.060 -8.272 -8.508 1.00 0.00 C ATOM 1641 CD LYS A 108 10.641 -8.725 -8.814 1.00 0.00 C ATOM 1642 CE LYS A 108 9.686 -8.363 -7.688 1.00 0.00 C ATOM 1643 NZ LYS A 108 9.087 -7.014 -7.881 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.128 -6.105 -11.234 1.00 0.00 H new ATOM 0 HA LYS A 108 11.523 -5.888 -9.884 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.300 -8.114 -10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.787 -7.918 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.646 -9.121 -8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.043 -7.540 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.303 -8.264 -9.742 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.628 -9.804 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.892 -9.108 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.218 -8.391 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 9.533 -6.339 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.243 -6.702 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.066 -7.057 -7.690 1.00 0.00 H new ATOM 1657 N LYS A 109 12.277 -5.015 -7.692 1.00 0.00 N ATOM 1658 CA LYS A 109 12.704 -4.370 -6.455 1.00 0.00 C ATOM 1659 C LYS A 109 11.607 -4.428 -5.398 1.00 0.00 C ATOM 1660 O LYS A 109 10.481 -4.838 -5.677 1.00 0.00 O ATOM 1661 CB LYS A 109 13.092 -2.915 -6.723 1.00 0.00 C ATOM 1662 CG LYS A 109 14.556 -2.733 -7.091 1.00 0.00 C ATOM 1663 CD LYS A 109 15.116 -1.437 -6.527 1.00 0.00 C ATOM 1664 CE LYS A 109 16.605 -1.307 -6.802 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.404 -2.273 -5.999 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.266 -5.064 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 109 13.573 -4.909 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.472 -2.525 -7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.872 -2.320 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.135 -3.576 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.662 -2.735 -8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.589 -0.590 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.939 -1.400 -5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 109 16.794 -1.473 -7.863 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.929 -0.291 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.956 -1.757 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.765 -2.943 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 18.050 -2.794 -6.625 1.00 0.00 H new ATOM 1679 N LEU A 110 11.946 -4.012 -4.182 1.00 0.00 N ATOM 1680 CA LEU A 110 10.994 -4.011 -3.076 1.00 0.00 C ATOM 1681 C LEU A 110 10.714 -2.585 -2.610 1.00 0.00 C ATOM 1682 O LEU A 110 11.627 -1.865 -2.206 1.00 0.00 O ATOM 1683 CB LEU A 110 11.535 -4.852 -1.914 1.00 0.00 C ATOM 1684 CG LEU A 110 10.804 -4.677 -0.580 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.304 -4.838 -0.765 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.326 -5.673 0.446 1.00 0.00 C ATOM 0 H LEU A 110 12.875 -3.670 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 110 10.059 -4.449 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.491 -5.904 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.587 -4.605 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 110 10.996 -3.669 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.803 -4.710 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.941 -4.087 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.090 -5.833 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.796 -5.536 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.164 -6.688 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.392 -5.510 0.602 1.00 0.00 H new ATOM 1698 N TYR A 111 9.449 -2.183 -2.670 1.00 0.00 N ATOM 1699 CA TYR A 111 9.055 -0.841 -2.255 1.00 0.00 C ATOM 1700 C TYR A 111 8.041 -0.893 -1.116 1.00 0.00 C ATOM 1701 O TYR A 111 7.183 -1.775 -1.074 1.00 0.00 O ATOM 1702 CB TYR A 111 8.470 -0.068 -3.439 1.00 0.00 C ATOM 1703 CG TYR A 111 9.311 -0.138 -4.697 1.00 0.00 C ATOM 1704 CD1 TYR A 111 10.697 -0.225 -4.631 1.00 0.00 C ATOM 1705 CD2 TYR A 111 8.716 -0.114 -5.952 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.464 -0.286 -5.779 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.476 -0.175 -7.104 1.00 0.00 C ATOM 1708 CZ TYR A 111 10.849 -0.261 -7.012 1.00 0.00 C ATOM 1709 OH TYR A 111 11.609 -0.322 -8.158 1.00 0.00 O ATOM 0 H TYR A 111 8.680 -2.766 -3.001 1.00 0.00 H new ATOM 0 HA TYR A 111 9.947 -0.326 -1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.475 -0.456 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.349 0.977 -3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.182 -0.245 -3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.641 -0.046 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.540 -0.353 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.997 -0.155 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 111 11.022 -0.295 -8.942 1.00 0.00 H new ATOM 1719 N GLU A 112 8.148 0.060 -0.195 1.00 0.00 N ATOM 1720 CA GLU A 112 7.243 0.129 0.946 1.00 0.00 C ATOM 1721 C GLU A 112 6.126 1.137 0.695 1.00 0.00 C ATOM 1722 O GLU A 112 6.323 2.140 0.008 1.00 0.00 O ATOM 1723 CB GLU A 112 8.014 0.510 2.212 1.00 0.00 C ATOM 1724 CG GLU A 112 7.506 -0.185 3.465 1.00 0.00 C ATOM 1725 CD GLU A 112 6.658 0.724 4.333 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.235 1.486 5.137 1.00 0.00 O ATOM 1727 OE2 GLU A 112 5.416 0.674 4.208 1.00 0.00 O1- ATOM 0 H GLU A 112 8.854 0.796 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 112 6.795 -0.855 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.067 0.267 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.952 1.589 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.920 -1.059 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.355 -0.547 4.045 1.00 0.00 H new ATOM 1734 N ALA A 113 4.952 0.863 1.255 1.00 0.00 N ATOM 1735 CA ALA A 113 3.801 1.743 1.092 1.00 0.00 C ATOM 1736 C ALA A 113 3.053 1.916 2.409 1.00 0.00 C ATOM 1737 O ALA A 113 2.770 0.940 3.105 1.00 0.00 O ATOM 1738 CB ALA A 113 2.865 1.193 0.026 1.00 0.00 C ATOM 0 H ALA A 113 4.773 0.037 1.826 1.00 0.00 H new ATOM 0 HA ALA A 113 4.164 2.721 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.010 1.859 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.396 1.122 -0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.518 0.203 0.322 1.00 0.00 H new ATOM 1744 N LYS A 114 2.727 3.162 2.745 1.00 0.00 N ATOM 1745 CA LYS A 114 2.003 3.446 3.980 1.00 0.00 C ATOM 1746 C LYS A 114 0.622 4.018 3.680 1.00 0.00 C ATOM 1747 O LYS A 114 0.496 5.094 3.095 1.00 0.00 O ATOM 1748 CB LYS A 114 2.793 4.410 4.866 1.00 0.00 C ATOM 1749 CG LYS A 114 3.120 5.726 4.189 1.00 0.00 C ATOM 1750 CD LYS A 114 4.392 6.338 4.751 1.00 0.00 C ATOM 1751 CE LYS A 114 5.629 5.606 4.256 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.884 6.304 4.651 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.951 3.984 2.184 1.00 0.00 H new ATOM 0 HA LYS A 114 1.879 2.506 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.221 4.609 5.772 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.721 3.929 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.234 5.567 3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.291 6.421 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.450 7.388 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.361 6.307 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.636 4.593 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.589 5.519 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.704 5.773 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.890 7.262 4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.936 6.365 5.688 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.411 3.285 4.082 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.787 3.710 3.856 1.00 0.00 C ATOM 1768 C VAL A 115 -2.436 4.187 5.151 1.00 0.00 C ATOM 1769 O VAL A 115 -2.092 3.724 6.238 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.636 2.571 3.261 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.006 3.085 2.846 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.919 1.931 2.081 1.00 0.00 C ATOM 0 H VAL A 115 -0.321 2.392 4.567 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.749 4.536 3.146 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.777 1.810 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.591 2.266 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.521 3.491 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.889 3.867 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.534 1.128 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.745 2.682 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.964 1.524 2.413 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.373 5.121 5.024 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.070 5.670 6.181 1.00 0.00 C ATOM 1784 C TRP A 116 -5.581 5.585 5.997 1.00 0.00 C ATOM 1785 O TRP A 116 -6.094 5.790 4.896 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.651 7.124 6.405 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.253 7.740 7.631 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.225 7.237 8.900 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.972 8.976 7.703 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -4.883 8.086 9.758 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.351 9.160 9.047 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.332 9.945 6.763 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.071 10.275 9.471 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.047 11.050 7.185 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.410 11.207 8.529 1.00 0.00 C ATOM 0 H TRP A 116 -3.667 5.514 4.130 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.798 5.080 7.056 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.565 7.173 6.480 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.937 7.714 5.534 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.755 6.308 9.188 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.003 7.940 10.760 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.056 9.833 5.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.351 10.399 10.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.331 11.805 6.467 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.969 12.082 8.827 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.287 5.283 7.082 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.740 5.170 7.044 1.00 0.00 C ATOM 1808 C GLU A 117 -8.349 5.532 8.396 1.00 0.00 C ATOM 1809 O GLU A 117 -8.030 4.919 9.414 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.152 3.750 6.652 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.657 3.554 6.567 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.043 2.365 5.710 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.380 1.312 5.822 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.008 2.486 4.926 1.00 0.00 O ATOM 0 H GLU A 117 -5.875 5.112 7.999 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.114 5.870 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.707 3.505 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.743 3.048 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.059 3.419 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.114 4.455 6.159 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.227 6.530 8.398 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.878 6.972 9.624 1.00 0.00 C ATOM 1823 C GLN A 118 -11.263 6.348 9.759 1.00 0.00 C ATOM 1824 O GLN A 118 -11.745 5.678 8.845 1.00 0.00 O ATOM 1825 CB GLN A 118 -9.991 8.498 9.648 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.819 9.211 8.992 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.036 9.449 7.510 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -10.028 10.056 7.106 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.106 8.970 6.692 1.00 0.00 N ATOM 0 H GLN A 118 -9.503 7.047 7.564 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.267 6.647 10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.912 8.793 9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.073 8.831 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.656 10.167 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.914 8.620 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.300 8.473 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.198 9.099 5.684 1.00 0.00 H new ATOM 1838 N VAL A 119 -11.899 6.572 10.904 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.230 6.034 11.159 1.00 0.00 C ATOM 1840 C VAL A 119 -14.252 7.154 11.329 1.00 0.00 C ATOM 1841 O VAL A 119 -15.389 7.046 10.871 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.243 5.140 12.415 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -12.851 5.940 13.648 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.609 4.495 12.601 1.00 0.00 C ATOM 0 H VAL A 119 -11.514 7.123 11.671 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.501 5.431 10.293 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.508 4.347 12.278 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.866 5.290 14.523 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.848 6.346 13.515 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.557 6.758 13.791 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.597 3.868 13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.366 5.271 12.713 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.844 3.883 11.730 1.00 0.00 H new ATOM 1854 N TRP A 120 -13.837 8.230 11.989 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.714 9.373 12.219 1.00 0.00 C ATOM 1856 C TRP A 120 -14.749 10.293 11.001 1.00 0.00 C ATOM 1857 O TRP A 120 -15.686 11.073 10.829 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.253 10.156 13.449 1.00 0.00 C ATOM 1859 CG TRP A 120 -12.820 10.586 13.374 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.333 11.718 12.785 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.687 9.889 13.904 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -10.966 11.767 12.918 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.546 10.656 13.601 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.527 8.691 14.606 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.264 10.263 13.976 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.254 8.303 14.978 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.137 9.087 14.663 1.00 0.00 C ATOM 0 H TRP A 120 -12.898 8.335 12.374 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.721 8.994 12.392 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -14.884 11.037 13.568 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.395 9.540 14.337 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -12.934 12.465 12.288 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.362 12.510 12.566 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.382 8.080 14.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.401 10.865 13.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.118 7.379 15.521 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.155 8.756 14.969 1.00 0.00 H new ATOM 1878 N MET A 121 -13.724 10.197 10.159 1.00 0.00 N ATOM 1879 CA MET A 121 -13.642 11.020 8.958 1.00 0.00 C ATOM 1880 C MET A 121 -14.124 10.244 7.737 1.00 0.00 C ATOM 1881 O MET A 121 -14.571 10.832 6.752 1.00 0.00 O ATOM 1882 CB MET A 121 -12.205 11.499 8.741 1.00 0.00 C ATOM 1883 CG MET A 121 -12.035 12.378 7.511 1.00 0.00 C ATOM 1884 SD MET A 121 -11.068 13.863 7.843 1.00 0.00 S ATOM 1885 CE MET A 121 -9.752 13.686 6.641 1.00 0.00 C ATOM 0 H MET A 121 -12.939 9.558 10.287 1.00 0.00 H new ATOM 0 HA MET A 121 -14.288 11.887 9.094 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.879 12.053 9.621 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.551 10.631 8.650 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.550 11.802 6.723 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.018 12.666 7.137 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.069 14.531 6.722 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.208 12.761 6.830 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.177 13.658 5.638 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.031 8.920 7.810 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.457 8.060 6.713 1.00 0.00 C ATOM 1897 C ASN A 122 -13.632 8.329 5.458 1.00 0.00 C ATOM 1898 O ASN A 122 -14.178 8.581 4.384 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.944 8.270 6.420 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.832 7.382 7.270 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.649 7.447 8.583 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.672 6.647 6.752 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.664 8.419 8.619 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.298 7.024 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.203 9.314 6.597 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.136 8.069 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.778 6.629 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.262 6.055 7.337 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.312 8.272 5.602 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.410 8.508 4.481 1.00 0.00 C ATOM 1911 C PHE A 123 -10.233 7.538 4.518 1.00 0.00 C ATOM 1912 O PHE A 123 -9.690 7.246 5.583 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.901 9.952 4.505 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.997 10.643 3.175 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -10.365 10.119 2.059 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -11.719 11.818 3.041 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -10.451 10.753 0.834 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -11.809 12.457 1.819 1.00 0.00 C ATOM 1919 CZ PHE A 123 -11.174 11.924 0.714 1.00 0.00 C ATOM 0 H PHE A 123 -11.843 8.064 6.484 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.964 8.342 3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.472 10.518 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.862 9.957 4.834 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.798 9.204 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.217 12.239 3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.954 10.334 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -12.375 13.372 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 123 -11.243 12.422 -0.242 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.846 7.043 3.347 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.733 6.105 3.243 1.00 0.00 C ATOM 1931 C ARG A 124 -7.937 6.349 1.965 1.00 0.00 C ATOM 1932 O ARG A 124 -8.498 6.370 0.869 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.248 4.665 3.270 1.00 0.00 C ATOM 1934 CG ARG A 124 -8.143 3.622 3.240 1.00 0.00 C ATOM 1935 CD ARG A 124 -7.855 3.150 1.823 1.00 0.00 C ATOM 1936 NE ARG A 124 -8.964 2.377 1.266 1.00 0.00 N ATOM 1937 CZ ARG A 124 -9.900 2.883 0.462 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -9.879 4.166 0.122 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.864 2.100 -0.001 1.00 0.00 N ATOM 0 H ARG A 124 -10.286 7.275 2.457 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.074 6.263 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.849 4.520 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.907 4.508 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.236 4.040 3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.430 2.770 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.659 4.013 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.951 2.541 1.821 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.026 1.388 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.142 4.775 0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.600 4.542 -0.494 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.888 1.114 0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.581 2.484 -0.616 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.628 6.531 2.111 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.763 6.772 0.961 1.00 0.00 C ATOM 1955 C GLN A 125 -4.298 6.530 1.312 1.00 0.00 C ATOM 1956 O GLN A 125 -3.955 6.298 2.472 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.948 8.202 0.448 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.481 9.268 1.427 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.456 9.477 2.569 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.594 9.012 2.523 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.012 10.181 3.604 1.00 0.00 N ATOM 0 H GLN A 125 -6.145 6.516 3.009 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.046 6.071 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.401 8.316 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.002 8.364 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.509 8.984 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.343 10.209 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.060 10.548 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.623 10.354 4.402 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.438 6.588 0.300 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.008 6.378 0.492 1.00 0.00 C ATOM 1972 C LEU A 126 -1.318 7.681 0.884 1.00 0.00 C ATOM 1973 O LEU A 126 -1.634 8.746 0.353 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.380 5.813 -0.787 1.00 0.00 C ATOM 1975 CG LEU A 126 0.151 5.782 -0.807 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.651 4.533 -1.517 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.698 7.033 -1.478 1.00 0.00 C ATOM 0 H LEU A 126 -3.708 6.779 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.873 5.660 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.749 4.798 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.726 6.405 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 126 0.509 5.757 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.741 4.529 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.287 3.648 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.284 4.526 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.787 6.996 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.331 7.086 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.368 7.915 -0.928 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.374 7.591 1.815 1.00 0.00 N ATOM 1990 CA GLN A 127 0.359 8.765 2.274 1.00 0.00 C ATOM 1991 C GLN A 127 1.710 8.874 1.580 1.00 0.00 C ATOM 1992 O GLN A 127 2.029 9.902 0.983 1.00 0.00 O ATOM 1993 CB GLN A 127 0.558 8.713 3.789 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.680 9.102 4.575 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.876 8.240 4.229 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -1.832 7.019 4.361 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.951 8.874 3.777 1.00 0.00 N ATOM 0 H GLN A 127 -0.099 6.718 2.266 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.232 9.646 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.858 7.704 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.377 9.378 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.471 9.018 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.919 10.147 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.942 9.890 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.786 8.346 3.523 1.00 0.00 H new ATOM 2006 N GLU A 128 2.506 7.813 1.665 1.00 0.00 N ATOM 2007 CA GLU A 128 3.826 7.809 1.045 1.00 0.00 C ATOM 2008 C GLU A 128 4.200 6.426 0.517 1.00 0.00 C ATOM 2009 O GLU A 128 3.698 5.401 0.989 1.00 0.00 O ATOM 2010 CB GLU A 128 4.889 8.284 2.041 1.00 0.00 C ATOM 2011 CG GLU A 128 4.411 9.386 2.974 1.00 0.00 C ATOM 2012 CD GLU A 128 4.297 10.729 2.279 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.163 11.035 1.432 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.342 11.475 2.582 1.00 0.00 O1- ATOM 0 H GLU A 128 2.263 6.951 2.153 1.00 0.00 H new ATOM 0 HA GLU A 128 3.787 8.496 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.219 7.434 2.638 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.757 8.641 1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.441 9.111 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.102 9.472 3.813 1.00 0.00 H new ATOM 2021 N PHE A 129 5.098 6.419 -0.464 1.00 0.00 N ATOM 2022 CA PHE A 129 5.575 5.187 -1.079 1.00 0.00 C ATOM 2023 C PHE A 129 7.090 5.243 -1.253 1.00 0.00 C ATOM 2024 O PHE A 129 7.601 6.008 -2.071 1.00 0.00 O ATOM 2025 CB PHE A 129 4.900 4.978 -2.437 1.00 0.00 C ATOM 2026 CG PHE A 129 4.802 3.537 -2.851 1.00 0.00 C ATOM 2027 CD1 PHE A 129 5.840 2.927 -3.536 1.00 0.00 C ATOM 2028 CD2 PHE A 129 3.669 2.796 -2.559 1.00 0.00 C ATOM 2029 CE1 PHE A 129 5.750 1.603 -3.922 1.00 0.00 C ATOM 2030 CE2 PHE A 129 3.573 1.471 -2.943 1.00 0.00 C ATOM 2031 CZ PHE A 129 4.614 0.874 -3.625 1.00 0.00 C ATOM 0 H PHE A 129 5.514 7.265 -0.853 1.00 0.00 H new ATOM 0 HA PHE A 129 5.323 4.350 -0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.898 5.406 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.456 5.527 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 129 6.730 3.492 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 129 2.851 3.258 -2.026 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.566 1.139 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 129 2.684 0.904 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.541 -0.161 -3.926 1.00 0.00 H new ATOM 2041 N THR A 130 7.806 4.439 -0.473 1.00 0.00 N ATOM 2042 CA THR A 130 9.263 4.413 -0.539 1.00 0.00 C ATOM 2043 C THR A 130 9.755 3.245 -1.385 1.00 0.00 C ATOM 2044 O THR A 130 9.096 2.212 -1.477 1.00 0.00 O ATOM 2045 CB THR A 130 9.855 4.323 0.868 1.00 0.00 C ATOM 2046 OG1 THR A 130 9.706 3.015 1.392 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.219 5.285 1.848 1.00 0.00 C ATOM 0 H THR A 130 7.402 3.798 0.210 1.00 0.00 H new ATOM 0 HA THR A 130 9.594 5.339 -1.009 1.00 0.00 H new ATOM 0 HB THR A 130 10.907 4.586 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.092 2.977 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.685 5.169 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.360 6.307 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.153 5.072 1.927 1.00 0.00 H new ATOM 2055 N TYR A 131 10.920 3.418 -2.002 1.00 0.00 N ATOM 2056 CA TYR A 131 11.502 2.377 -2.842 1.00 0.00 C ATOM 2057 C TYR A 131 12.770 1.813 -2.208 1.00 0.00 C ATOM 2058 O TYR A 131 13.797 2.489 -2.142 1.00 0.00 O ATOM 2059 CB TYR A 131 11.816 2.931 -4.233 1.00 0.00 C ATOM 2060 CG TYR A 131 12.683 4.170 -4.211 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.129 5.425 -3.993 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.056 4.083 -4.407 1.00 0.00 C ATOM 2063 CE1 TYR A 131 12.919 6.559 -3.973 1.00 0.00 C ATOM 2064 CE2 TYR A 131 14.852 5.213 -4.388 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.279 6.448 -4.170 1.00 0.00 C ATOM 2066 OH TYR A 131 15.068 7.575 -4.150 1.00 0.00 O ATOM 0 H TYR A 131 11.479 4.269 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 131 10.774 1.571 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.316 2.159 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.880 3.162 -4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.064 5.516 -3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.508 3.117 -4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.473 7.528 -3.804 1.00 0.00 H new ATOM 0 HE2 TYR A 131 15.917 5.129 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 131 16.002 7.323 -4.304 1.00 0.00 H new ATOM 2076 N LEU A 132 12.690 0.570 -1.744 1.00 0.00 N ATOM 2077 CA LEU A 132 13.830 -0.086 -1.115 1.00 0.00 C ATOM 2078 C LEU A 132 14.700 -0.781 -2.158 1.00 0.00 C ATOM 2079 O LEU A 132 14.515 -0.593 -3.360 1.00 0.00 O ATOM 2080 CB LEU A 132 13.354 -1.102 -0.073 1.00 0.00 C ATOM 2081 CG LEU A 132 12.099 -0.697 0.704 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.776 -1.731 1.772 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.281 0.678 1.329 1.00 0.00 C ATOM 0 H LEU A 132 11.847 -0.003 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 132 14.427 0.679 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.161 -2.050 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.162 -1.276 0.638 1.00 0.00 H new ATOM 0 HG LEU A 132 11.262 -0.650 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 132 10.881 -1.427 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.603 -2.699 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.612 -1.810 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.379 0.951 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.130 0.657 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.465 1.413 0.545 1.00 0.00 H new ATOM 2095 N GLY A 133 15.649 -1.585 -1.689 1.00 0.00 N ATOM 2096 CA GLY A 133 16.533 -2.295 -2.594 1.00 0.00 C ATOM 2097 C GLY A 133 15.839 -3.442 -3.301 1.00 0.00 C ATOM 2098 O GLY A 133 15.581 -3.374 -4.503 1.00 0.00 O ATOM 0 H GLY A 133 15.821 -1.757 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 133 16.924 -1.599 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.387 -2.679 -2.036 1.00 0.00 H new ATOM 2102 N ASP A 134 15.535 -4.499 -2.555 1.00 0.00 N ATOM 2103 CA ASP A 134 14.866 -5.666 -3.118 1.00 0.00 C ATOM 2104 C ASP A 134 14.556 -6.692 -2.032 1.00 0.00 C ATOM 2105 O ASP A 134 15.181 -6.695 -0.971 1.00 0.00 O ATOM 2106 CB ASP A 134 15.733 -6.302 -4.205 1.00 0.00 C ATOM 2107 CG ASP A 134 14.963 -7.296 -5.051 1.00 0.00 C ATOM 2108 OD1 ASP A 134 13.722 -7.173 -5.130 1.00 0.00 O ATOM 2109 OD2 ASP A 134 15.600 -8.197 -5.636 1.00 0.00 O1- ATOM 0 H ASP A 134 15.741 -4.571 -1.559 1.00 0.00 H new ATOM 0 HA ASP A 134 13.926 -5.337 -3.560 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.138 -5.520 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.582 -6.805 -3.741 1.00 0.00 H new ATOM 2114 N ALA A 135 13.589 -7.561 -2.305 1.00 0.00 N ATOM 2115 CA ALA A 135 13.197 -8.592 -1.352 1.00 0.00 C ATOM 2116 C ALA A 135 13.719 -9.960 -1.778 1.00 0.00 C ATOM 2117 O ALA A 135 14.521 -10.548 -1.023 1.00 0.00 O ATOM 2118 CB ALA A 135 11.683 -8.625 -1.204 1.00 0.00 C ATOM 2119 OXT ALA A 135 13.320 -10.433 -2.864 1.00 0.00 O ATOM 0 H ALA A 135 13.062 -7.572 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 135 13.640 -8.348 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.404 -9.399 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.331 -7.657 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.228 -8.842 -2.170 1.00 0.00 H new