USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 700 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 50 MET CE :methyl -169:sc= 0 (180deg=-0.00911) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.0989 K(o=0.2,f=-0.45) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -173:sc= 0.0987 (180deg=0) USER MOD Set 3.1: A 31 ASN : amide:sc= 0.00688 K(o=0.019,f=-0.77) USER MOD Set 3.2: A 99 GLN : amide:sc= 0.0118 X(o=0.019,f=-0.004) USER MOD Single : A 9 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.304) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0764 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0048) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.725 (180deg=-0.317) USER MOD Single : A 23 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 37 THR OG1 : rot -33:sc= 1.26 USER MOD Single : A 46 TYR OH : rot 180:sc= 0.0887 USER MOD Single : A 47 SER OG : rot 154:sc= 1.35 USER MOD Single : A 53 HIS : no HD1:sc=-0.00352 K(o=-0.0035,f=-1) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.81 K(o=0.81,f=-6.7!) USER MOD Single : A 67 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 68 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.0089) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 0.471 (180deg=-0.291) USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= 0.931 (180deg=0.531) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 0.0104 (180deg=0.0015) USER MOD Single : A 91 ASN :FLIP amide:sc= 0.395 F(o=-0.12,f=0.39) USER MOD Single : A 95 TYR OH : rot 21:sc= 1.11 USER MOD Single : A 100 GLN : amide:sc= 0.28 K(o=0.28,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.396 -0.141 -3.478 1.00 0.00 N ATOM 30 CA ASP A 3 4.198 -0.482 -4.909 1.00 0.00 C ATOM 31 C ASP A 3 5.352 0.138 -5.785 1.00 0.00 C ATOM 32 O ASP A 3 5.388 1.368 -5.921 1.00 0.00 O ATOM 33 CB ASP A 3 2.782 0.019 -5.301 1.00 0.00 C ATOM 34 CG ASP A 3 2.354 -0.368 -6.718 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.696 0.260 -7.716 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.581 -1.493 -6.739 1.00 0.00 O ATOM 0 HA ASP A 3 4.251 -1.556 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.057 -0.381 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.753 1.105 -5.208 1.00 0.00 H new ATOM 41 N PRO A 4 6.272 -0.639 -6.433 1.00 0.00 N ATOM 42 CA PRO A 4 7.357 -0.060 -7.278 1.00 0.00 C ATOM 43 C PRO A 4 6.964 0.607 -8.642 1.00 0.00 C ATOM 44 O PRO A 4 7.663 1.525 -9.078 1.00 0.00 O ATOM 45 CB PRO A 4 8.341 -1.238 -7.401 1.00 0.00 C ATOM 46 CG PRO A 4 7.523 -2.511 -7.184 1.00 0.00 C ATOM 47 CD PRO A 4 6.373 -2.102 -6.266 1.00 0.00 C ATOM 0 HA PRO A 4 7.772 0.832 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.817 -1.245 -8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.137 -1.157 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.150 -2.904 -8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.129 -3.295 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.444 -2.599 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.577 -2.370 -5.230 1.00 0.00 H new ATOM 55 N ALA A 5 5.849 0.209 -9.288 1.00 0.00 N ATOM 56 CA ALA A 5 5.259 0.962 -10.434 1.00 0.00 C ATOM 57 C ALA A 5 4.753 2.410 -10.107 1.00 0.00 C ATOM 58 O ALA A 5 5.117 3.357 -10.811 1.00 0.00 O ATOM 59 CB ALA A 5 4.161 0.069 -11.042 1.00 0.00 C ATOM 0 H ALA A 5 5.330 -0.634 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 5 6.052 1.161 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.701 0.582 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.601 -0.868 -11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.403 -0.140 -10.287 1.00 0.00 H new ATOM 65 N ALA A 6 3.994 2.607 -9.010 1.00 0.00 N ATOM 66 CA ALA A 6 3.808 3.948 -8.389 1.00 0.00 C ATOM 67 C ALA A 6 5.110 4.680 -7.908 1.00 0.00 C ATOM 68 O ALA A 6 5.235 5.887 -8.127 1.00 0.00 O ATOM 69 CB ALA A 6 2.783 3.771 -7.256 1.00 0.00 C ATOM 0 H ALA A 6 3.496 1.857 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 6 3.452 4.627 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.612 4.730 -6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.844 3.401 -7.669 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.166 3.056 -6.528 1.00 0.00 H new ATOM 75 N GLY A 7 6.091 3.966 -7.318 1.00 0.00 N ATOM 76 CA GLY A 7 7.453 4.514 -7.057 1.00 0.00 C ATOM 77 C GLY A 7 8.288 5.056 -8.246 1.00 0.00 C ATOM 78 O GLY A 7 8.963 6.071 -8.080 1.00 0.00 O ATOM 0 H GLY A 7 5.971 3.001 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.349 5.322 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.037 3.729 -6.576 1.00 0.00 H new ATOM 82 N GLU A 8 8.211 4.436 -9.439 1.00 0.00 N ATOM 83 CA GLU A 8 8.652 5.063 -10.726 1.00 0.00 C ATOM 84 C GLU A 8 8.005 6.460 -11.048 1.00 0.00 C ATOM 85 O GLU A 8 8.730 7.403 -11.376 1.00 0.00 O ATOM 86 CB GLU A 8 8.419 4.012 -11.854 1.00 0.00 C ATOM 87 CG GLU A 8 8.871 4.396 -13.290 1.00 0.00 C ATOM 88 CD GLU A 8 10.376 4.567 -13.479 1.00 0.00 C ATOM 89 OE1 GLU A 8 10.996 3.381 -13.762 1.00 0.00 O ATOM 90 OE2 GLU A 8 10.959 5.641 -13.367 1.00 0.00 O ATOM 0 H GLU A 8 7.845 3.491 -9.551 1.00 0.00 H new ATOM 0 HA GLU A 8 9.709 5.316 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.935 3.094 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.354 3.782 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.520 3.629 -13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.379 5.327 -13.571 1.00 0.00 H new ATOM 97 N LYS A 9 6.670 6.605 -10.920 1.00 0.00 N ATOM 98 CA LYS A 9 5.983 7.933 -10.978 1.00 0.00 C ATOM 99 C LYS A 9 6.440 8.969 -9.890 1.00 0.00 C ATOM 100 O LYS A 9 6.707 10.123 -10.237 1.00 0.00 O ATOM 101 CB LYS A 9 4.440 7.733 -10.962 1.00 0.00 C ATOM 102 CG LYS A 9 3.841 6.959 -12.163 1.00 0.00 C ATOM 103 CD LYS A 9 2.297 6.953 -12.242 1.00 0.00 C ATOM 104 CE LYS A 9 1.553 6.058 -11.230 1.00 0.00 C ATOM 105 NZ LYS A 9 1.357 6.733 -9.930 1.00 0.00 N ATOM 0 H LYS A 9 6.035 5.820 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 9 6.290 8.386 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.172 7.206 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.967 8.714 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.234 7.390 -13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.190 5.927 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.946 7.977 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.009 6.642 -13.246 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.584 5.775 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.116 5.137 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.534 6.321 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.205 6.605 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.194 7.748 -10.087 1.00 0.00 H new ATOM 118 N VAL A 10 6.597 8.565 -8.610 1.00 0.00 N ATOM 119 CA VAL A 10 7.280 9.398 -7.562 1.00 0.00 C ATOM 120 C VAL A 10 8.775 9.763 -7.912 1.00 0.00 C ATOM 121 O VAL A 10 9.165 10.921 -7.729 1.00 0.00 O ATOM 122 CB VAL A 10 7.141 8.767 -6.127 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.652 9.709 -5.009 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.706 8.370 -5.703 1.00 0.00 C ATOM 0 H VAL A 10 6.263 7.665 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 10 6.748 10.350 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 10 7.749 7.868 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.532 9.223 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.706 9.932 -5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.078 10.636 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.727 7.946 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.067 9.253 -5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.312 7.631 -6.400 1.00 0.00 H new ATOM 134 N PHE A 11 9.596 8.824 -8.438 1.00 0.00 N ATOM 135 CA PHE A 11 10.972 9.120 -8.939 1.00 0.00 C ATOM 136 C PHE A 11 11.104 10.233 -10.041 1.00 0.00 C ATOM 137 O PHE A 11 12.144 10.890 -10.069 1.00 0.00 O ATOM 138 CB PHE A 11 11.668 7.782 -9.343 1.00 0.00 C ATOM 139 CG PHE A 11 13.203 7.883 -9.491 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.030 7.762 -8.370 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.777 8.203 -10.725 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.393 8.023 -8.468 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.138 8.495 -10.815 1.00 0.00 C ATOM 144 CZ PHE A 11 15.944 8.420 -9.684 1.00 0.00 C ATOM 0 H PHE A 11 9.331 7.843 -8.530 1.00 0.00 H new ATOM 0 HA PHE A 11 11.496 9.584 -8.103 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.436 7.025 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.246 7.437 -10.287 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.608 7.464 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.163 8.224 -11.613 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.025 7.918 -7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.567 8.780 -11.765 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.993 8.669 -9.748 1.00 0.00 H new ATOM 154 N GLY A 12 10.091 10.514 -10.889 1.00 0.00 N ATOM 155 CA GLY A 12 10.058 11.748 -11.741 1.00 0.00 C ATOM 156 C GLY A 12 10.361 13.136 -11.105 1.00 0.00 C ATOM 157 O GLY A 12 10.997 13.971 -11.750 1.00 0.00 O ATOM 0 H GLY A 12 9.279 9.909 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.769 11.601 -12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.067 11.806 -12.191 1.00 0.00 H new ATOM 161 N LYS A 13 9.976 13.357 -9.836 1.00 0.00 N ATOM 162 CA LYS A 13 10.530 14.463 -8.989 1.00 0.00 C ATOM 163 C LYS A 13 12.090 14.457 -8.766 1.00 0.00 C ATOM 164 O LYS A 13 12.718 15.518 -8.752 1.00 0.00 O ATOM 165 CB LYS A 13 9.812 14.420 -7.608 1.00 0.00 C ATOM 166 CG LYS A 13 8.300 14.744 -7.597 1.00 0.00 C ATOM 167 CD LYS A 13 7.679 14.510 -6.203 1.00 0.00 C ATOM 168 CE LYS A 13 6.169 14.786 -6.107 1.00 0.00 C ATOM 169 NZ LYS A 13 5.869 16.231 -6.133 1.00 0.00 N ATOM 0 H LYS A 13 9.278 12.787 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 13 10.340 15.382 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.949 13.425 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.314 15.122 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.147 15.781 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.789 14.123 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.863 13.477 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.195 15.143 -5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.657 14.294 -6.934 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.779 14.351 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.841 16.373 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.336 16.697 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.218 16.642 -7.022 1.00 0.00 H new ATOM 182 N CYS A 14 12.694 13.273 -8.571 1.00 0.00 N ATOM 183 CA CYS A 14 14.164 13.089 -8.460 1.00 0.00 C ATOM 184 C CYS A 14 14.967 13.098 -9.818 1.00 0.00 C ATOM 185 O CYS A 14 16.114 13.553 -9.826 1.00 0.00 O ATOM 186 CB CYS A 14 14.376 11.766 -7.677 1.00 0.00 C ATOM 187 SG CYS A 14 13.109 11.400 -6.412 1.00 0.00 S ATOM 0 H CYS A 14 12.174 12.400 -8.484 1.00 0.00 H new ATOM 0 HA CYS A 14 14.576 13.956 -7.943 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.404 10.941 -8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.351 11.802 -7.192 1.00 0.00 H new ATOM 0 HG CYS A 14 13.391 10.273 -5.829 1.00 0.00 H new ATOM 192 N LYS A 15 14.383 12.606 -10.939 1.00 0.00 N ATOM 193 CA LYS A 15 15.053 12.446 -12.272 1.00 0.00 C ATOM 194 C LYS A 15 15.929 13.609 -12.839 1.00 0.00 C ATOM 195 O LYS A 15 17.022 13.341 -13.344 1.00 0.00 O ATOM 196 CB LYS A 15 13.977 12.057 -13.338 1.00 0.00 C ATOM 197 CG LYS A 15 13.472 10.601 -13.291 1.00 0.00 C ATOM 198 CD LYS A 15 12.514 10.199 -14.435 1.00 0.00 C ATOM 199 CE LYS A 15 13.186 9.836 -15.773 1.00 0.00 C ATOM 200 NZ LYS A 15 13.899 8.542 -15.696 1.00 0.00 N ATOM 0 H LYS A 15 13.410 12.300 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 15 15.792 11.671 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.121 12.721 -13.220 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.392 12.245 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.334 9.934 -13.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.964 10.440 -12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.921 9.346 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.820 11.022 -14.609 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.431 9.789 -16.558 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.888 10.622 -16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.295 8.308 -16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.669 8.611 -15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.235 7.797 -15.405 1.00 0.00 H new ATOM 213 N ALA A 16 15.471 14.874 -12.778 1.00 0.00 N ATOM 214 CA ALA A 16 16.293 16.049 -13.190 1.00 0.00 C ATOM 215 C ALA A 16 17.679 16.234 -12.478 1.00 0.00 C ATOM 216 O ALA A 16 18.656 16.620 -13.128 1.00 0.00 O ATOM 217 CB ALA A 16 15.392 17.289 -13.036 1.00 0.00 C ATOM 0 H ALA A 16 14.537 15.118 -12.449 1.00 0.00 H new ATOM 0 HA ALA A 16 16.607 15.881 -14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.948 18.181 -13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.516 17.184 -13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.074 17.381 -11.997 1.00 0.00 H new ATOM 223 N CYS A 17 17.766 15.933 -11.170 1.00 0.00 N ATOM 224 CA CYS A 17 19.052 15.882 -10.433 1.00 0.00 C ATOM 225 C CYS A 17 19.752 14.478 -10.377 1.00 0.00 C ATOM 226 O CYS A 17 20.977 14.424 -10.528 1.00 0.00 O ATOM 227 CB CYS A 17 18.776 16.428 -9.021 1.00 0.00 C ATOM 228 SG CYS A 17 17.915 18.032 -9.037 1.00 0.00 S ATOM 0 H CYS A 17 16.954 15.718 -10.592 1.00 0.00 H new ATOM 0 HA CYS A 17 19.773 16.489 -10.981 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.176 15.705 -8.468 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.720 16.534 -8.487 1.00 0.00 H new ATOM 0 HG CYS A 17 17.714 18.429 -7.815 1.00 0.00 H new ATOM 233 N HIS A 18 19.011 13.379 -10.130 1.00 0.00 N ATOM 234 CA HIS A 18 19.582 12.035 -9.833 1.00 0.00 C ATOM 235 C HIS A 18 19.284 11.021 -10.983 1.00 0.00 C ATOM 236 O HIS A 18 18.124 10.820 -11.361 1.00 0.00 O ATOM 237 CB HIS A 18 18.932 11.516 -8.524 1.00 0.00 C ATOM 238 CG HIS A 18 19.359 12.186 -7.220 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.457 11.788 -6.506 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.541 12.978 -6.415 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.177 12.304 -5.278 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.009 13.027 -5.086 1.00 0.00 N ATOM 0 H HIS A 18 17.991 13.392 -10.129 1.00 0.00 H new ATOM 0 HA HIS A 18 20.664 12.124 -9.733 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.851 11.620 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 18 19.144 10.450 -8.441 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.267 11.249 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.658 13.491 -6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.861 12.151 -4.457 1.00 0.00 H new ATOM 250 N LYS A 19 20.322 10.336 -11.499 1.00 0.00 N ATOM 251 CA LYS A 19 20.178 9.421 -12.668 1.00 0.00 C ATOM 252 C LYS A 19 20.427 7.938 -12.259 1.00 0.00 C ATOM 253 O LYS A 19 21.446 7.588 -11.656 1.00 0.00 O ATOM 254 CB LYS A 19 21.124 9.841 -13.829 1.00 0.00 C ATOM 255 CG LYS A 19 20.767 11.163 -14.555 1.00 0.00 C ATOM 256 CD LYS A 19 21.393 12.432 -13.934 1.00 0.00 C ATOM 257 CE LYS A 19 20.629 13.705 -14.335 1.00 0.00 C ATOM 258 NZ LYS A 19 21.113 14.866 -13.567 1.00 0.00 N ATOM 0 H LYS A 19 21.272 10.393 -11.132 1.00 0.00 H new ATOM 0 HA LYS A 19 19.151 9.502 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.135 9.930 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.140 9.038 -14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 19 21.087 11.088 -15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.683 11.276 -14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.399 12.339 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.432 12.517 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 19 20.755 13.890 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.562 13.566 -14.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.388 15.612 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.306 14.578 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 21.986 15.229 -14.000 1.00 0.00 H new ATOM 271 N LEU A 20 19.503 7.047 -12.649 1.00 0.00 N ATOM 272 CA LEU A 20 19.586 5.593 -12.315 1.00 0.00 C ATOM 273 C LEU A 20 20.634 4.746 -13.104 1.00 0.00 C ATOM 274 O LEU A 20 21.067 3.715 -12.587 1.00 0.00 O ATOM 275 CB LEU A 20 18.177 4.955 -12.455 1.00 0.00 C ATOM 276 CG LEU A 20 17.090 5.461 -11.475 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.710 4.991 -11.937 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.324 5.012 -10.022 1.00 0.00 C ATOM 0 H LEU A 20 18.681 7.297 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 20 19.952 5.568 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.825 5.125 -13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.276 3.877 -12.328 1.00 0.00 H new ATOM 0 HG LEU A 20 17.147 6.549 -11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.951 5.351 -11.242 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.506 5.385 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.687 3.902 -11.966 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.527 5.401 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.328 3.923 -9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.283 5.394 -9.673 1.00 0.00 H new ATOM 290 N ASP A 21 21.068 5.132 -14.322 1.00 0.00 N ATOM 291 CA ASP A 21 22.102 4.349 -15.077 1.00 0.00 C ATOM 292 C ASP A 21 23.572 4.687 -14.639 1.00 0.00 C ATOM 293 O ASP A 21 24.404 5.087 -15.456 1.00 0.00 O ATOM 294 CB ASP A 21 21.833 4.534 -16.601 1.00 0.00 C ATOM 295 CG ASP A 21 20.605 3.836 -17.203 1.00 0.00 C ATOM 296 OD1 ASP A 21 19.508 3.920 -16.395 1.00 0.00 O ATOM 297 OD2 ASP A 21 20.618 3.282 -18.297 1.00 0.00 O ATOM 0 H ASP A 21 20.733 5.964 -14.808 1.00 0.00 H new ATOM 0 HA ASP A 21 22.010 3.290 -14.835 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.740 5.602 -16.797 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.714 4.186 -17.141 1.00 0.00 H new ATOM 302 N GLY A 22 23.889 4.531 -13.337 1.00 0.00 N ATOM 303 CA GLY A 22 25.237 4.836 -12.775 1.00 0.00 C ATOM 304 C GLY A 22 25.837 6.270 -12.885 1.00 0.00 C ATOM 305 O GLY A 22 27.046 6.415 -12.703 1.00 0.00 O ATOM 0 H GLY A 22 23.225 4.191 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.209 4.580 -11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 22 25.944 4.155 -13.249 1.00 0.00 H new ATOM 309 N ASN A 23 25.033 7.307 -13.185 1.00 0.00 N ATOM 310 CA ASN A 23 25.535 8.678 -13.484 1.00 0.00 C ATOM 311 C ASN A 23 25.283 9.674 -12.307 1.00 0.00 C ATOM 312 O ASN A 23 24.169 9.807 -11.787 1.00 0.00 O ATOM 313 CB ASN A 23 24.867 9.197 -14.792 1.00 0.00 C ATOM 314 CG ASN A 23 25.536 8.765 -16.100 1.00 0.00 C ATOM 315 OD1 ASN A 23 26.320 9.499 -16.690 1.00 0.00 O ATOM 316 ND2 ASN A 23 25.268 7.593 -16.617 1.00 0.00 N ATOM 0 H ASN A 23 24.017 7.227 -13.229 1.00 0.00 H new ATOM 0 HA ASN A 23 26.615 8.619 -13.617 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.831 8.859 -14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 23 24.846 10.286 -14.759 1.00 0.00 H new ATOM 0 HD21 ASN A 23 25.708 7.309 -17.492 1.00 0.00 H new ATOM 0 HD22 ASN A 23 24.619 6.964 -16.145 1.00 0.00 H new ATOM 323 N ASP A 24 26.332 10.435 -11.961 1.00 0.00 N ATOM 324 CA ASP A 24 26.240 11.592 -11.031 1.00 0.00 C ATOM 325 C ASP A 24 26.031 12.908 -11.849 1.00 0.00 C ATOM 326 O ASP A 24 26.860 13.244 -12.702 1.00 0.00 O ATOM 327 CB ASP A 24 27.554 11.679 -10.203 1.00 0.00 C ATOM 328 CG ASP A 24 27.823 10.526 -9.230 1.00 0.00 C ATOM 329 OD1 ASP A 24 28.116 9.391 -9.588 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.707 10.911 -7.927 1.00 0.00 O ATOM 0 H ASP A 24 27.275 10.272 -12.314 1.00 0.00 H new ATOM 0 HA ASP A 24 25.394 11.461 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.392 11.743 -10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.539 12.609 -9.635 1.00 0.00 H new ATOM 335 N GLY A 25 24.947 13.656 -11.580 1.00 0.00 N ATOM 336 CA GLY A 25 24.704 14.971 -12.239 1.00 0.00 C ATOM 337 C GLY A 25 24.718 16.133 -11.233 1.00 0.00 C ATOM 338 O GLY A 25 25.775 16.484 -10.703 1.00 0.00 O ATOM 0 H GLY A 25 24.223 13.383 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 25 25.466 15.141 -12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.742 14.947 -12.751 1.00 0.00 H new ATOM 342 N VAL A 26 23.540 16.700 -10.935 1.00 0.00 N ATOM 343 CA VAL A 26 23.368 17.614 -9.755 1.00 0.00 C ATOM 344 C VAL A 26 23.404 16.806 -8.407 1.00 0.00 C ATOM 345 O VAL A 26 24.168 17.168 -7.509 1.00 0.00 O ATOM 346 CB VAL A 26 22.113 18.547 -9.913 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.919 19.534 -8.737 1.00 0.00 C ATOM 348 CG2 VAL A 26 22.115 19.398 -11.207 1.00 0.00 C ATOM 0 H VAL A 26 22.689 16.555 -11.478 1.00 0.00 H new ATOM 0 HA VAL A 26 24.219 18.294 -9.718 1.00 0.00 H new ATOM 0 HB VAL A 26 21.295 17.827 -9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.034 20.144 -8.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.792 18.975 -7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.794 20.179 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.216 20.013 -11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.995 20.041 -11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.136 18.740 -12.075 1.00 0.00 H new ATOM 358 N GLY A 27 22.619 15.718 -8.281 1.00 0.00 N ATOM 359 CA GLY A 27 22.833 14.699 -7.224 1.00 0.00 C ATOM 360 C GLY A 27 23.535 13.390 -7.701 1.00 0.00 C ATOM 361 O GLY A 27 23.681 13.172 -8.912 1.00 0.00 O ATOM 0 H GLY A 27 21.830 15.519 -8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.430 15.144 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.867 14.438 -6.791 1.00 0.00 H new ATOM 365 N PRO A 28 23.957 12.458 -6.796 1.00 0.00 N ATOM 366 CA PRO A 28 24.531 11.143 -7.204 1.00 0.00 C ATOM 367 C PRO A 28 23.531 10.125 -7.844 1.00 0.00 C ATOM 368 O PRO A 28 22.324 10.364 -7.918 1.00 0.00 O ATOM 369 CB PRO A 28 25.148 10.671 -5.867 1.00 0.00 C ATOM 370 CG PRO A 28 24.256 11.279 -4.786 1.00 0.00 C ATOM 371 CD PRO A 28 23.933 12.665 -5.334 1.00 0.00 C ATOM 0 HA PRO A 28 25.238 11.227 -8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.163 9.583 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.179 11.011 -5.766 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.353 10.688 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.769 11.336 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.960 13.017 -4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.669 13.405 -5.019 1.00 0.00 H new ATOM 379 N HIS A 29 24.017 8.955 -8.290 1.00 0.00 N ATOM 380 CA HIS A 29 23.123 7.867 -8.778 1.00 0.00 C ATOM 381 C HIS A 29 22.334 7.176 -7.615 1.00 0.00 C ATOM 382 O HIS A 29 22.927 6.609 -6.691 1.00 0.00 O ATOM 383 CB HIS A 29 23.900 6.869 -9.677 1.00 0.00 C ATOM 384 CG HIS A 29 24.982 6.000 -9.033 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.218 6.475 -8.617 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.887 4.614 -8.842 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.778 5.292 -8.210 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.056 4.129 -8.286 1.00 0.00 N ATOM 0 H HIS A 29 25.011 8.730 -8.327 1.00 0.00 H new ATOM 0 HA HIS A 29 22.358 8.321 -9.407 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.172 6.203 -10.140 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.367 7.439 -10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.026 4.013 -9.093 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.789 5.276 -7.829 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.309 3.180 -8.011 1.00 0.00 H new ATOM 396 N LEU A 30 20.993 7.218 -7.664 1.00 0.00 N ATOM 397 CA LEU A 30 20.124 6.496 -6.674 1.00 0.00 C ATOM 398 C LEU A 30 19.869 4.974 -6.935 1.00 0.00 C ATOM 399 O LEU A 30 19.311 4.296 -6.068 1.00 0.00 O ATOM 400 CB LEU A 30 18.795 7.276 -6.482 1.00 0.00 C ATOM 401 CG LEU A 30 18.908 8.649 -5.774 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.578 9.406 -5.872 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.317 8.555 -4.294 1.00 0.00 C ATOM 0 H LEU A 30 20.472 7.738 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 30 20.703 6.482 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.343 7.431 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.109 6.650 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 30 19.703 9.184 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.670 10.370 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.326 9.565 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.791 8.822 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.375 9.557 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.576 7.971 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.290 8.071 -4.216 1.00 0.00 H new ATOM 415 N ASN A 31 20.348 4.415 -8.060 1.00 0.00 N ATOM 416 CA ASN A 31 20.544 2.955 -8.221 1.00 0.00 C ATOM 417 C ASN A 31 21.664 2.441 -7.252 1.00 0.00 C ATOM 418 O ASN A 31 22.819 2.873 -7.319 1.00 0.00 O ATOM 419 CB ASN A 31 20.843 2.740 -9.725 1.00 0.00 C ATOM 420 CG ASN A 31 20.996 1.279 -10.135 1.00 0.00 C ATOM 421 OD1 ASN A 31 20.013 0.567 -10.316 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.217 0.806 -10.238 1.00 0.00 N ATOM 0 H ASN A 31 20.611 4.957 -8.883 1.00 0.00 H new ATOM 0 HA ASN A 31 19.668 2.369 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.039 3.186 -10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 31 21.758 3.274 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.366 -0.175 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.017 1.420 -10.082 1.00 0.00 H new ATOM 429 N GLY A 32 21.284 1.577 -6.308 1.00 0.00 N ATOM 430 CA GLY A 32 22.191 1.140 -5.212 1.00 0.00 C ATOM 431 C GLY A 32 22.309 2.080 -3.994 1.00 0.00 C ATOM 432 O GLY A 32 23.406 2.221 -3.456 1.00 0.00 O ATOM 0 H GLY A 32 20.355 1.158 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.853 0.166 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.187 0.999 -5.631 1.00 0.00 H new ATOM 436 N VAL A 33 21.200 2.690 -3.545 1.00 0.00 N ATOM 437 CA VAL A 33 21.161 3.535 -2.312 1.00 0.00 C ATOM 438 C VAL A 33 20.655 2.807 -1.021 1.00 0.00 C ATOM 439 O VAL A 33 21.101 3.174 0.069 1.00 0.00 O ATOM 440 CB VAL A 33 20.434 4.893 -2.604 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.899 4.792 -2.735 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.766 5.987 -1.561 1.00 0.00 C ATOM 0 H VAL A 33 20.299 2.619 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 33 22.197 3.758 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 33 20.831 5.176 -3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.485 5.780 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.647 4.119 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.479 4.405 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.235 6.904 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.458 5.651 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.839 6.177 -1.562 1.00 0.00 H new ATOM 452 N VAL A 34 19.736 1.820 -1.097 1.00 0.00 N ATOM 453 CA VAL A 34 19.117 1.186 0.108 1.00 0.00 C ATOM 454 C VAL A 34 20.167 0.236 0.780 1.00 0.00 C ATOM 455 O VAL A 34 20.550 -0.790 0.208 1.00 0.00 O ATOM 456 CB VAL A 34 17.757 0.478 -0.228 1.00 0.00 C ATOM 457 CG1 VAL A 34 17.040 -0.026 1.049 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.739 1.363 -0.988 1.00 0.00 C ATOM 0 H VAL A 34 19.399 1.437 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 34 18.852 1.959 0.829 1.00 0.00 H new ATOM 0 HB VAL A 34 18.057 -0.346 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.103 -0.510 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.679 -0.741 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.833 0.818 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.830 0.792 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.498 2.239 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.171 1.682 -1.936 1.00 0.00 H new ATOM 468 N GLY A 35 20.679 0.636 1.956 1.00 0.00 N ATOM 469 CA GLY A 35 21.932 0.055 2.516 1.00 0.00 C ATOM 470 C GLY A 35 23.275 0.793 2.266 1.00 0.00 C ATOM 471 O GLY A 35 24.245 0.462 2.949 1.00 0.00 O ATOM 0 H GLY A 35 20.254 1.355 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.801 -0.035 3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 35 22.032 -0.956 2.121 1.00 0.00 H new ATOM 475 N ARG A 36 23.375 1.761 1.331 1.00 0.00 N ATOM 476 CA ARG A 36 24.650 2.483 1.048 1.00 0.00 C ATOM 477 C ARG A 36 25.010 3.537 2.144 1.00 0.00 C ATOM 478 O ARG A 36 24.147 4.250 2.662 1.00 0.00 O ATOM 479 CB ARG A 36 24.536 3.124 -0.364 1.00 0.00 C ATOM 480 CG ARG A 36 25.822 3.811 -0.909 1.00 0.00 C ATOM 481 CD ARG A 36 25.779 4.208 -2.397 1.00 0.00 C ATOM 482 NE ARG A 36 24.823 5.323 -2.654 1.00 0.00 N ATOM 483 CZ ARG A 36 24.318 5.645 -3.848 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.562 4.985 -4.950 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.540 6.679 -3.941 1.00 0.00 N ATOM 0 H ARG A 36 22.591 2.067 0.754 1.00 0.00 H new ATOM 0 HA ARG A 36 25.474 1.770 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.235 2.349 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.735 3.863 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.014 4.706 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.666 3.139 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.776 4.505 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.494 3.342 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 36 24.531 5.885 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 36 25.172 4.168 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.142 5.287 -5.829 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.323 7.231 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.145 6.940 -4.844 1.00 0.00 H new ATOM 499 N THR A 37 26.312 3.665 2.442 1.00 0.00 N ATOM 500 CA THR A 37 26.840 4.626 3.454 1.00 0.00 C ATOM 501 C THR A 37 26.502 6.127 3.150 1.00 0.00 C ATOM 502 O THR A 37 26.489 6.558 1.991 1.00 0.00 O ATOM 503 CB THR A 37 28.359 4.316 3.635 1.00 0.00 C ATOM 504 OG1 THR A 37 28.543 2.946 4.002 1.00 0.00 O ATOM 505 CG2 THR A 37 29.078 5.129 4.722 1.00 0.00 C ATOM 0 H THR A 37 27.040 3.109 1.993 1.00 0.00 H new ATOM 0 HA THR A 37 26.331 4.482 4.407 1.00 0.00 H new ATOM 0 HB THR A 37 28.788 4.578 2.668 1.00 0.00 H new ATOM 0 HG1 THR A 37 27.787 2.650 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.127 4.834 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 37 29.008 6.191 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.610 4.939 5.688 1.00 0.00 H new ATOM 513 N VAL A 38 26.208 6.915 4.206 1.00 0.00 N ATOM 514 CA VAL A 38 25.907 8.376 4.067 1.00 0.00 C ATOM 515 C VAL A 38 27.189 9.156 3.606 1.00 0.00 C ATOM 516 O VAL A 38 28.244 9.067 4.241 1.00 0.00 O ATOM 517 CB VAL A 38 25.266 8.991 5.361 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.870 10.474 5.167 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.994 8.270 5.866 1.00 0.00 C ATOM 0 H VAL A 38 26.170 6.575 5.167 1.00 0.00 H new ATOM 0 HA VAL A 38 25.149 8.484 3.291 1.00 0.00 H new ATOM 0 HB VAL A 38 26.059 8.872 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.431 10.857 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.756 11.058 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 38 24.144 10.554 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.626 8.768 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.227 8.301 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.232 7.232 6.099 1.00 0.00 H new ATOM 529 N ALA A 39 27.088 9.867 2.463 1.00 0.00 N ATOM 530 CA ALA A 39 28.267 10.341 1.679 1.00 0.00 C ATOM 531 C ALA A 39 29.168 9.199 1.084 1.00 0.00 C ATOM 532 O ALA A 39 30.386 9.167 1.282 1.00 0.00 O ATOM 533 CB ALA A 39 29.030 11.455 2.430 1.00 0.00 C ATOM 0 H ALA A 39 26.193 10.132 2.052 1.00 0.00 H new ATOM 0 HA ALA A 39 27.870 10.803 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.883 11.778 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.364 12.301 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.382 11.073 3.388 1.00 0.00 H new ATOM 539 N GLY A 40 28.553 8.262 0.337 1.00 0.00 N ATOM 540 CA GLY A 40 29.226 7.001 -0.090 1.00 0.00 C ATOM 541 C GLY A 40 29.690 6.848 -1.557 1.00 0.00 C ATOM 542 O GLY A 40 30.417 5.895 -1.841 1.00 0.00 O ATOM 0 H GLY A 40 27.590 8.347 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.101 6.866 0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.545 6.178 0.125 1.00 0.00 H new ATOM 546 N VAL A 41 29.294 7.734 -2.489 1.00 0.00 N ATOM 547 CA VAL A 41 29.759 7.677 -3.910 1.00 0.00 C ATOM 548 C VAL A 41 31.117 8.446 -4.034 1.00 0.00 C ATOM 549 O VAL A 41 31.164 9.668 -4.212 1.00 0.00 O ATOM 550 CB VAL A 41 28.635 8.159 -4.893 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.078 8.169 -6.375 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.351 7.299 -4.828 1.00 0.00 C ATOM 0 H VAL A 41 28.653 8.503 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 41 29.955 6.648 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 41 28.431 9.173 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.253 8.512 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.928 8.840 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.365 7.161 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.616 7.688 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.591 6.267 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.940 7.334 -3.819 1.00 0.00 H new ATOM 562 N ASP A 42 32.222 7.685 -3.955 1.00 0.00 N ATOM 563 CA ASP A 42 33.609 8.226 -3.996 1.00 0.00 C ATOM 564 C ASP A 42 33.983 8.788 -5.408 1.00 0.00 C ATOM 565 O ASP A 42 33.949 8.069 -6.411 1.00 0.00 O ATOM 566 CB ASP A 42 34.574 7.092 -3.563 1.00 0.00 C ATOM 567 CG ASP A 42 34.490 6.691 -2.089 1.00 0.00 C ATOM 568 OD1 ASP A 42 35.118 7.247 -1.194 1.00 0.00 O ATOM 569 OD2 ASP A 42 33.629 5.657 -1.883 1.00 0.00 O ATOM 0 H ASP A 42 32.187 6.670 -3.860 1.00 0.00 H new ATOM 0 HA ASP A 42 33.689 9.071 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.372 6.212 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.596 7.404 -3.780 1.00 0.00 H new ATOM 574 N GLY A 43 34.279 10.095 -5.475 1.00 0.00 N ATOM 575 CA GLY A 43 34.206 10.863 -6.752 1.00 0.00 C ATOM 576 C GLY A 43 33.322 12.128 -6.669 1.00 0.00 C ATOM 577 O GLY A 43 33.775 13.220 -7.017 1.00 0.00 O ATOM 0 H GLY A 43 34.571 10.650 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.214 11.154 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.819 10.211 -7.535 1.00 0.00 H new ATOM 581 N PHE A 44 32.068 11.985 -6.204 1.00 0.00 N ATOM 582 CA PHE A 44 31.183 13.139 -5.900 1.00 0.00 C ATOM 583 C PHE A 44 31.539 13.765 -4.513 1.00 0.00 C ATOM 584 O PHE A 44 31.444 13.099 -3.476 1.00 0.00 O ATOM 585 CB PHE A 44 29.723 12.607 -5.964 1.00 0.00 C ATOM 586 CG PHE A 44 28.602 13.662 -5.875 1.00 0.00 C ATOM 587 CD1 PHE A 44 28.092 14.039 -4.628 1.00 0.00 C ATOM 588 CD2 PHE A 44 28.072 14.245 -7.032 1.00 0.00 C ATOM 589 CE1 PHE A 44 27.074 14.984 -4.535 1.00 0.00 C ATOM 590 CE2 PHE A 44 27.040 15.178 -6.941 1.00 0.00 C ATOM 591 CZ PHE A 44 26.546 15.549 -5.693 1.00 0.00 C ATOM 0 H PHE A 44 31.637 11.078 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 44 31.313 13.946 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.601 12.057 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.584 11.892 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 44 28.492 13.593 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.464 13.971 -8.000 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.695 15.278 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.624 15.613 -7.838 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.751 16.277 -5.623 1.00 0.00 H new ATOM 601 N ASN A 45 31.902 15.061 -4.489 1.00 0.00 N ATOM 602 CA ASN A 45 32.051 15.815 -3.215 1.00 0.00 C ATOM 603 C ASN A 45 30.649 16.195 -2.635 1.00 0.00 C ATOM 604 O ASN A 45 29.884 16.946 -3.245 1.00 0.00 O ATOM 605 CB ASN A 45 32.967 17.044 -3.452 1.00 0.00 C ATOM 606 CG ASN A 45 33.308 17.821 -2.169 1.00 0.00 C ATOM 607 OD1 ASN A 45 33.986 17.334 -1.270 1.00 0.00 O ATOM 608 ND2 ASN A 45 32.813 19.025 -2.017 1.00 0.00 N ATOM 0 H ASN A 45 32.098 15.610 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 45 32.530 15.191 -2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 45 33.893 16.710 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 45 32.479 17.719 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 45 32.993 19.546 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 45 32.248 19.441 -2.757 1.00 0.00 H new ATOM 615 N TYR A 46 30.354 15.684 -1.435 1.00 0.00 N ATOM 616 CA TYR A 46 29.128 16.038 -0.667 1.00 0.00 C ATOM 617 C TYR A 46 29.369 17.302 0.240 1.00 0.00 C ATOM 618 O TYR A 46 30.504 17.764 0.410 1.00 0.00 O ATOM 619 CB TYR A 46 28.708 14.767 0.137 1.00 0.00 C ATOM 620 CG TYR A 46 28.263 13.525 -0.673 1.00 0.00 C ATOM 621 CD1 TYR A 46 29.213 12.601 -1.126 1.00 0.00 C ATOM 622 CD2 TYR A 46 26.908 13.281 -0.918 1.00 0.00 C ATOM 623 CE1 TYR A 46 28.815 11.454 -1.810 1.00 0.00 C ATOM 624 CE2 TYR A 46 26.511 12.129 -1.592 1.00 0.00 C ATOM 625 CZ TYR A 46 27.463 11.208 -2.026 1.00 0.00 C ATOM 626 OH TYR A 46 27.081 10.027 -2.606 1.00 0.00 O ATOM 0 H TYR A 46 30.952 15.010 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 46 28.312 16.325 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 46 29.548 14.475 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.891 15.045 0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 46 30.263 12.779 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 46 26.165 13.990 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.556 10.756 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 46 25.463 11.949 -1.779 1.00 0.00 H new ATOM 0 HH TYR A 46 26.105 10.004 -2.689 1.00 0.00 H new ATOM 636 N SER A 47 28.310 17.882 0.845 1.00 0.00 N ATOM 637 CA SER A 47 28.480 18.981 1.848 1.00 0.00 C ATOM 638 C SER A 47 29.076 18.492 3.214 1.00 0.00 C ATOM 639 O SER A 47 28.973 17.314 3.572 1.00 0.00 O ATOM 640 CB SER A 47 27.158 19.781 1.999 1.00 0.00 C ATOM 641 OG SER A 47 26.206 19.143 2.855 1.00 0.00 O ATOM 0 H SER A 47 27.340 17.621 0.668 1.00 0.00 H new ATOM 0 HA SER A 47 29.235 19.666 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.384 20.772 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.713 19.923 1.014 1.00 0.00 H new ATOM 0 HG SER A 47 25.609 19.818 3.241 1.00 0.00 H new ATOM 647 N ASP A 48 29.700 19.402 3.991 1.00 0.00 N ATOM 648 CA ASP A 48 30.313 19.059 5.310 1.00 0.00 C ATOM 649 C ASP A 48 29.369 18.358 6.362 1.00 0.00 C ATOM 650 O ASP A 48 29.784 17.299 6.841 1.00 0.00 O ATOM 651 CB ASP A 48 31.038 20.316 5.865 1.00 0.00 C ATOM 652 CG ASP A 48 32.145 20.009 6.872 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.315 19.652 6.262 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.986 20.076 8.086 1.00 0.00 O ATOM 0 H ASP A 48 29.797 20.384 3.735 1.00 0.00 H new ATOM 0 HA ASP A 48 31.036 18.266 5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.466 20.872 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.302 20.966 6.338 1.00 0.00 H new ATOM 659 N PRO A 49 28.126 18.816 6.711 1.00 0.00 N ATOM 660 CA PRO A 49 27.183 18.011 7.539 1.00 0.00 C ATOM 661 C PRO A 49 26.611 16.696 6.915 1.00 0.00 C ATOM 662 O PRO A 49 26.279 15.789 7.676 1.00 0.00 O ATOM 663 CB PRO A 49 26.109 19.039 7.931 1.00 0.00 C ATOM 664 CG PRO A 49 26.167 20.138 6.873 1.00 0.00 C ATOM 665 CD PRO A 49 27.564 20.102 6.258 1.00 0.00 C ATOM 0 HA PRO A 49 27.706 17.566 8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.121 18.579 7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.302 19.444 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.406 19.977 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.969 21.112 7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.522 20.157 5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.170 20.943 6.596 1.00 0.00 H new ATOM 673 N MET A 50 26.532 16.548 5.576 1.00 0.00 N ATOM 674 CA MET A 50 26.349 15.217 4.920 1.00 0.00 C ATOM 675 C MET A 50 27.562 14.238 5.111 1.00 0.00 C ATOM 676 O MET A 50 27.353 13.096 5.527 1.00 0.00 O ATOM 677 CB MET A 50 25.959 15.472 3.438 1.00 0.00 C ATOM 678 CG MET A 50 25.577 14.216 2.624 1.00 0.00 C ATOM 679 SD MET A 50 24.208 13.320 3.383 1.00 0.00 S ATOM 680 CE MET A 50 22.800 14.154 2.634 1.00 0.00 C ATOM 0 H MET A 50 26.591 17.327 4.920 1.00 0.00 H new ATOM 0 HA MET A 50 25.541 14.676 5.414 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.119 16.167 3.416 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.794 15.965 2.941 1.00 0.00 H new ATOM 0 HG2 MET A 50 25.303 14.509 1.610 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.442 13.558 2.543 1.00 0.00 H new ATOM 0 HE1 MET A 50 21.885 13.852 3.143 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.926 15.233 2.724 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.735 13.883 1.580 1.00 0.00 H new ATOM 690 N LYS A 51 28.811 14.685 4.869 1.00 0.00 N ATOM 691 CA LYS A 51 30.045 13.926 5.244 1.00 0.00 C ATOM 692 C LYS A 51 30.210 13.597 6.768 1.00 0.00 C ATOM 693 O LYS A 51 30.534 12.457 7.109 1.00 0.00 O ATOM 694 CB LYS A 51 31.297 14.648 4.661 1.00 0.00 C ATOM 695 CG LYS A 51 31.362 14.715 3.113 1.00 0.00 C ATOM 696 CD LYS A 51 32.658 15.300 2.517 1.00 0.00 C ATOM 697 CE LYS A 51 32.842 16.809 2.749 1.00 0.00 C ATOM 698 NZ LYS A 51 33.993 17.302 1.964 1.00 0.00 N ATOM 0 H LYS A 51 29.004 15.576 4.411 1.00 0.00 H new ATOM 0 HA LYS A 51 29.936 12.939 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.326 15.664 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.191 14.141 5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.227 13.708 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.521 15.311 2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.510 14.773 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.670 15.106 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.937 17.343 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 51 33.003 17.006 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.186 18.293 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.831 16.722 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.774 17.238 0.949 1.00 0.00 H new ATOM 711 N ALA A 52 29.954 14.556 7.676 1.00 0.00 N ATOM 712 CA ALA A 52 29.919 14.302 9.142 1.00 0.00 C ATOM 713 C ALA A 52 28.701 13.519 9.749 1.00 0.00 C ATOM 714 O ALA A 52 28.785 13.126 10.915 1.00 0.00 O ATOM 715 CB ALA A 52 30.048 15.693 9.783 1.00 0.00 C ATOM 0 H ALA A 52 29.766 15.526 7.424 1.00 0.00 H new ATOM 0 HA ALA A 52 30.727 13.604 9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.031 15.596 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.988 16.150 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.217 16.320 9.461 1.00 0.00 H new ATOM 721 N HIS A 53 27.598 13.273 9.010 1.00 0.00 N ATOM 722 CA HIS A 53 26.419 12.511 9.521 1.00 0.00 C ATOM 723 C HIS A 53 26.710 11.016 9.895 1.00 0.00 C ATOM 724 O HIS A 53 26.417 10.608 11.023 1.00 0.00 O ATOM 725 CB HIS A 53 25.267 12.688 8.489 1.00 0.00 C ATOM 726 CG HIS A 53 23.887 12.178 8.911 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.381 10.933 8.568 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.930 12.918 9.620 1.00 0.00 C ATOM 729 CE1 HIS A 53 22.135 11.035 9.128 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.766 12.186 9.771 1.00 0.00 N ATOM 0 H HIS A 53 27.492 13.591 8.047 1.00 0.00 H new ATOM 0 HA HIS A 53 26.124 12.925 10.485 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.181 13.749 8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.552 12.178 7.569 1.00 0.00 H new ATOM 0 HD2 HIS A 53 23.081 13.919 9.996 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.444 10.208 9.062 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.888 12.432 10.228 1.00 0.00 H new ATOM 738 N GLY A 54 27.275 10.215 8.971 1.00 0.00 N ATOM 739 CA GLY A 54 27.614 8.795 9.248 1.00 0.00 C ATOM 740 C GLY A 54 26.457 7.774 9.138 1.00 0.00 C ATOM 741 O GLY A 54 25.291 8.106 8.909 1.00 0.00 O ATOM 0 H GLY A 54 27.508 10.521 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.403 8.492 8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.029 8.733 10.254 1.00 0.00 H new ATOM 745 N GLY A 55 26.809 6.491 9.299 1.00 0.00 N ATOM 746 CA GLY A 55 25.835 5.378 9.134 1.00 0.00 C ATOM 747 C GLY A 55 25.493 5.013 7.670 1.00 0.00 C ATOM 748 O GLY A 55 26.281 5.239 6.747 1.00 0.00 O ATOM 0 H GLY A 55 27.752 6.189 9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.233 4.492 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 55 24.913 5.644 9.650 1.00 0.00 H new ATOM 752 N ASP A 56 24.311 4.413 7.466 1.00 0.00 N ATOM 753 CA ASP A 56 23.860 3.959 6.117 1.00 0.00 C ATOM 754 C ASP A 56 22.405 4.415 5.802 1.00 0.00 C ATOM 755 O ASP A 56 21.573 4.611 6.697 1.00 0.00 O ATOM 756 CB ASP A 56 24.001 2.415 5.979 1.00 0.00 C ATOM 757 CG ASP A 56 25.425 1.853 6.120 1.00 0.00 C ATOM 758 OD1 ASP A 56 26.320 2.041 5.297 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.584 1.145 7.275 1.00 0.00 O ATOM 0 H ASP A 56 23.640 4.225 8.211 1.00 0.00 H new ATOM 0 HA ASP A 56 24.510 4.433 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.370 1.944 6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.610 2.120 5.005 1.00 0.00 H new ATOM 764 N TRP A 57 22.077 4.508 4.500 1.00 0.00 N ATOM 765 CA TRP A 57 20.700 4.810 4.025 1.00 0.00 C ATOM 766 C TRP A 57 19.742 3.580 4.122 1.00 0.00 C ATOM 767 O TRP A 57 19.374 2.928 3.141 1.00 0.00 O ATOM 768 CB TRP A 57 20.789 5.421 2.598 1.00 0.00 C ATOM 769 CG TRP A 57 21.298 6.867 2.537 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.507 7.284 1.945 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.748 8.005 3.107 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.716 8.664 2.120 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.627 9.085 2.857 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.593 8.195 3.911 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.373 10.357 3.417 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.369 9.455 4.465 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.247 10.519 4.225 1.00 0.00 C ATOM 0 H TRP A 57 22.751 4.378 3.745 1.00 0.00 H new ATOM 0 HA TRP A 57 20.244 5.547 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.446 4.796 1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.800 5.381 2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.187 6.627 1.423 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.496 9.226 1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.904 7.383 4.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 22.037 11.187 3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.503 9.613 5.090 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.049 11.482 4.673 1.00 0.00 H new ATOM 788 N THR A 58 19.318 3.315 5.362 1.00 0.00 N ATOM 789 CA THR A 58 18.288 2.300 5.708 1.00 0.00 C ATOM 790 C THR A 58 16.831 2.802 5.377 1.00 0.00 C ATOM 791 O THR A 58 16.628 4.019 5.267 1.00 0.00 O ATOM 792 CB THR A 58 18.453 1.941 7.225 1.00 0.00 C ATOM 793 OG1 THR A 58 18.247 3.076 8.060 1.00 0.00 O ATOM 794 CG2 THR A 58 19.809 1.321 7.617 1.00 0.00 C ATOM 0 H THR A 58 19.682 3.805 6.179 1.00 0.00 H new ATOM 0 HA THR A 58 18.434 1.407 5.101 1.00 0.00 H new ATOM 0 HB THR A 58 17.687 1.182 7.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.356 2.816 8.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.818 1.111 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.958 0.394 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.611 2.019 7.378 1.00 0.00 H new ATOM 802 N PRO A 59 15.770 1.951 5.238 1.00 0.00 N ATOM 803 CA PRO A 59 14.380 2.437 4.964 1.00 0.00 C ATOM 804 C PRO A 59 13.747 3.451 5.983 1.00 0.00 C ATOM 805 O PRO A 59 13.066 4.390 5.561 1.00 0.00 O ATOM 806 CB PRO A 59 13.601 1.121 4.764 1.00 0.00 C ATOM 807 CG PRO A 59 14.423 0.029 5.449 1.00 0.00 C ATOM 808 CD PRO A 59 15.877 0.480 5.306 1.00 0.00 C ATOM 0 HA PRO A 59 14.355 3.095 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.604 1.189 5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.471 0.903 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.144 -0.076 6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.262 -0.940 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.483 0.159 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.340 0.068 4.409 1.00 0.00 H new ATOM 816 N GLU A 60 14.039 3.319 7.293 1.00 0.00 N ATOM 817 CA GLU A 60 13.778 4.386 8.304 1.00 0.00 C ATOM 818 C GLU A 60 14.562 5.732 8.074 1.00 0.00 C ATOM 819 O GLU A 60 13.929 6.792 8.047 1.00 0.00 O ATOM 820 CB GLU A 60 14.009 3.764 9.710 1.00 0.00 C ATOM 821 CG GLU A 60 13.524 4.637 10.895 1.00 0.00 C ATOM 822 CD GLU A 60 13.819 4.033 12.266 1.00 0.00 C ATOM 823 OE1 GLU A 60 12.892 3.097 12.629 1.00 0.00 O ATOM 824 OE2 GLU A 60 14.782 4.360 12.954 1.00 0.00 O ATOM 0 H GLU A 60 14.460 2.478 7.687 1.00 0.00 H new ATOM 0 HA GLU A 60 12.743 4.713 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.500 2.801 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.074 3.567 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.998 5.617 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.450 4.796 10.802 1.00 0.00 H new ATOM 831 N ALA A 61 15.901 5.700 7.892 1.00 0.00 N ATOM 832 CA ALA A 61 16.702 6.902 7.520 1.00 0.00 C ATOM 833 C ALA A 61 16.326 7.596 6.167 1.00 0.00 C ATOM 834 O ALA A 61 16.176 8.822 6.137 1.00 0.00 O ATOM 835 CB ALA A 61 18.185 6.486 7.567 1.00 0.00 C ATOM 0 H ALA A 61 16.458 4.852 7.996 1.00 0.00 H new ATOM 0 HA ALA A 61 16.473 7.685 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.810 7.338 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.437 6.151 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.358 5.674 6.860 1.00 0.00 H new ATOM 841 N LEU A 62 16.116 6.828 5.078 1.00 0.00 N ATOM 842 CA LEU A 62 15.513 7.339 3.814 1.00 0.00 C ATOM 843 C LEU A 62 14.109 8.002 3.974 1.00 0.00 C ATOM 844 O LEU A 62 13.950 9.141 3.532 1.00 0.00 O ATOM 845 CB LEU A 62 15.466 6.196 2.756 1.00 0.00 C ATOM 846 CG LEU A 62 16.812 5.766 2.121 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.638 4.435 1.374 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.358 6.826 1.145 1.00 0.00 C ATOM 0 H LEU A 62 16.357 5.837 5.043 1.00 0.00 H new ATOM 0 HA LEU A 62 16.164 8.146 3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.018 5.320 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.797 6.506 1.953 1.00 0.00 H new ATOM 0 HG LEU A 62 17.530 5.653 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.589 4.140 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.309 3.666 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.892 4.554 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.303 6.481 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.639 6.985 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.519 7.763 1.678 1.00 0.00 H new ATOM 860 N GLN A 63 13.107 7.355 4.609 1.00 0.00 N ATOM 861 CA GLN A 63 11.775 7.993 4.842 1.00 0.00 C ATOM 862 C GLN A 63 11.769 9.268 5.759 1.00 0.00 C ATOM 863 O GLN A 63 11.037 10.216 5.465 1.00 0.00 O ATOM 864 CB GLN A 63 10.709 6.906 5.169 1.00 0.00 C ATOM 865 CG GLN A 63 10.535 6.434 6.636 1.00 0.00 C ATOM 866 CD GLN A 63 9.732 7.371 7.552 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.858 8.128 7.133 1.00 0.00 O ATOM 868 NE2 GLN A 63 10.015 7.354 8.830 1.00 0.00 N ATOM 0 H GLN A 63 13.184 6.404 4.968 1.00 0.00 H new ATOM 0 HA GLN A 63 11.476 8.455 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.744 7.280 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.941 6.027 4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.047 5.459 6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.524 6.292 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.739 6.728 9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.512 7.966 9.472 1.00 0.00 H new ATOM 877 N GLU A 64 12.603 9.334 6.816 1.00 0.00 N ATOM 878 CA GLU A 64 12.886 10.608 7.548 1.00 0.00 C ATOM 879 C GLU A 64 13.547 11.722 6.670 1.00 0.00 C ATOM 880 O GLU A 64 12.998 12.824 6.591 1.00 0.00 O ATOM 881 CB GLU A 64 13.716 10.333 8.838 1.00 0.00 C ATOM 882 CG GLU A 64 13.003 9.556 9.972 1.00 0.00 C ATOM 883 CD GLU A 64 11.781 10.242 10.587 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.131 11.204 11.490 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.624 9.953 10.292 1.00 0.00 O ATOM 0 H GLU A 64 13.098 8.525 7.190 1.00 0.00 H new ATOM 0 HA GLU A 64 11.913 11.010 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.610 9.778 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.049 11.290 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.693 8.586 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.726 9.365 10.765 1.00 0.00 H new ATOM 892 N PHE A 65 14.683 11.455 5.991 1.00 0.00 N ATOM 893 CA PHE A 65 15.291 12.417 5.021 1.00 0.00 C ATOM 894 C PHE A 65 14.365 12.860 3.838 1.00 0.00 C ATOM 895 O PHE A 65 14.281 14.053 3.552 1.00 0.00 O ATOM 896 CB PHE A 65 16.641 11.811 4.555 1.00 0.00 C ATOM 897 CG PHE A 65 17.540 12.744 3.723 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.265 13.766 4.346 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.653 12.569 2.339 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.084 14.604 3.594 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.477 13.407 1.592 1.00 0.00 C ATOM 902 CZ PHE A 65 19.188 14.426 2.217 1.00 0.00 C ATOM 0 H PHE A 65 15.204 10.584 6.090 1.00 0.00 H new ATOM 0 HA PHE A 65 15.452 13.365 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.198 11.491 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.433 10.917 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.189 13.905 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.099 11.782 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.639 15.393 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.564 13.265 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.821 15.079 1.634 1.00 0.00 H new ATOM 912 N LEU A 66 13.635 11.939 3.189 1.00 0.00 N ATOM 913 CA LEU A 66 12.599 12.301 2.177 1.00 0.00 C ATOM 914 C LEU A 66 11.273 12.929 2.732 1.00 0.00 C ATOM 915 O LEU A 66 10.538 13.526 1.946 1.00 0.00 O ATOM 916 CB LEU A 66 12.340 11.085 1.242 1.00 0.00 C ATOM 917 CG LEU A 66 13.571 10.464 0.522 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.162 9.212 -0.264 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.284 11.471 -0.392 1.00 0.00 C ATOM 0 H LEU A 66 13.734 10.935 3.339 1.00 0.00 H new ATOM 0 HA LEU A 66 13.020 13.128 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.863 10.302 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.623 11.392 0.480 1.00 0.00 H new ATOM 0 HG LEU A 66 14.283 10.178 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.037 8.792 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.744 8.474 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.414 9.479 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.136 10.988 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.591 11.824 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.632 12.317 0.201 1.00 0.00 H new ATOM 931 N THR A 67 10.979 12.882 4.051 1.00 0.00 N ATOM 932 CA THR A 67 9.978 13.781 4.701 1.00 0.00 C ATOM 933 C THR A 67 10.394 15.294 4.647 1.00 0.00 C ATOM 934 O THR A 67 9.597 16.109 4.181 1.00 0.00 O ATOM 935 CB THR A 67 9.690 13.295 6.158 1.00 0.00 C ATOM 936 OG1 THR A 67 9.323 11.921 6.201 1.00 0.00 O ATOM 937 CG2 THR A 67 8.528 14.028 6.838 1.00 0.00 C ATOM 0 H THR A 67 11.421 12.228 4.697 1.00 0.00 H new ATOM 0 HA THR A 67 9.052 13.718 4.130 1.00 0.00 H new ATOM 0 HB THR A 67 10.628 13.494 6.675 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.130 11.366 6.173 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.390 13.635 7.845 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.751 15.094 6.892 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.615 13.877 6.261 1.00 0.00 H new ATOM 945 N ASN A 68 11.604 15.671 5.115 1.00 0.00 N ATOM 946 CA ASN A 68 12.141 17.054 4.974 1.00 0.00 C ATOM 947 C ASN A 68 13.716 16.988 5.012 1.00 0.00 C ATOM 948 O ASN A 68 14.267 16.811 6.107 1.00 0.00 O ATOM 949 CB ASN A 68 11.507 17.972 6.066 1.00 0.00 C ATOM 950 CG ASN A 68 11.711 19.494 6.049 1.00 0.00 C ATOM 951 OD1 ASN A 68 11.268 20.186 6.957 1.00 0.00 O ATOM 952 ND2 ASN A 68 12.340 20.102 5.074 1.00 0.00 N ATOM 0 H ASN A 68 12.237 15.034 5.599 1.00 0.00 H new ATOM 0 HA ASN A 68 11.869 17.500 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 68 10.432 17.796 6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.868 17.614 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.446 21.116 5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.724 19.561 4.299 1.00 0.00 H new ATOM 959 N PRO A 69 14.490 17.112 3.888 1.00 0.00 N ATOM 960 CA PRO A 69 15.952 16.790 3.887 1.00 0.00 C ATOM 961 C PRO A 69 16.910 17.801 4.585 1.00 0.00 C ATOM 962 O PRO A 69 17.750 17.390 5.390 1.00 0.00 O ATOM 963 CB PRO A 69 16.245 16.550 2.395 1.00 0.00 C ATOM 964 CG PRO A 69 15.182 17.337 1.634 1.00 0.00 C ATOM 965 CD PRO A 69 13.941 17.278 2.525 1.00 0.00 C ATOM 0 HA PRO A 69 16.161 15.928 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.247 16.890 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.195 15.489 2.152 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.498 18.366 1.463 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.988 16.897 0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.346 18.187 2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.292 16.446 2.252 1.00 0.00 H new ATOM 973 N LYS A 70 16.754 19.108 4.316 1.00 0.00 N ATOM 974 CA LYS A 70 17.431 20.196 5.093 1.00 0.00 C ATOM 975 C LYS A 70 17.048 20.333 6.613 1.00 0.00 C ATOM 976 O LYS A 70 17.843 20.877 7.385 1.00 0.00 O ATOM 977 CB LYS A 70 17.254 21.537 4.327 1.00 0.00 C ATOM 978 CG LYS A 70 18.036 21.643 2.993 1.00 0.00 C ATOM 979 CD LYS A 70 17.789 22.977 2.264 1.00 0.00 C ATOM 980 CE LYS A 70 18.625 23.097 0.981 1.00 0.00 C ATOM 981 NZ LYS A 70 18.321 24.367 0.293 1.00 0.00 N ATOM 0 H LYS A 70 16.162 19.454 3.561 1.00 0.00 H new ATOM 0 HA LYS A 70 18.480 19.906 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.194 21.682 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.566 22.353 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.102 21.534 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.748 20.818 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.731 23.064 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.029 23.804 2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.687 23.051 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.413 22.257 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.892 24.438 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.311 24.395 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.545 25.165 0.922 1.00 0.00 H new ATOM 994 N ALA A 71 15.884 19.819 7.058 1.00 0.00 N ATOM 995 CA ALA A 71 15.616 19.546 8.496 1.00 0.00 C ATOM 996 C ALA A 71 16.428 18.357 9.114 1.00 0.00 C ATOM 997 O ALA A 71 17.035 18.534 10.173 1.00 0.00 O ATOM 998 CB ALA A 71 14.096 19.360 8.635 1.00 0.00 C ATOM 0 H ALA A 71 15.106 19.581 6.443 1.00 0.00 H new ATOM 0 HA ALA A 71 15.969 20.394 9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.848 19.156 9.677 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.587 20.268 8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.774 18.523 8.015 1.00 0.00 H new ATOM 1004 N VAL A 72 16.467 17.170 8.468 1.00 0.00 N ATOM 1005 CA VAL A 72 17.288 16.005 8.935 1.00 0.00 C ATOM 1006 C VAL A 72 18.836 16.261 8.845 1.00 0.00 C ATOM 1007 O VAL A 72 19.520 16.122 9.864 1.00 0.00 O ATOM 1008 CB VAL A 72 16.790 14.681 8.247 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.692 13.442 8.482 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.368 14.272 8.701 1.00 0.00 C ATOM 0 H VAL A 72 15.940 16.983 7.615 1.00 0.00 H new ATOM 0 HA VAL A 72 17.127 15.875 10.005 1.00 0.00 H new ATOM 0 HB VAL A 72 16.814 14.947 7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.266 12.580 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.691 13.640 8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.754 13.234 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.075 13.352 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.363 14.111 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.664 15.065 8.449 1.00 0.00 H new ATOM 1020 N VAL A 73 19.392 16.618 7.670 1.00 0.00 N ATOM 1021 CA VAL A 73 20.815 17.060 7.559 1.00 0.00 C ATOM 1022 C VAL A 73 20.807 18.621 7.464 1.00 0.00 C ATOM 1023 O VAL A 73 20.516 19.191 6.406 1.00 0.00 O ATOM 1024 CB VAL A 73 21.571 16.372 6.371 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.046 16.833 6.263 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.593 14.826 6.442 1.00 0.00 C ATOM 0 H VAL A 73 18.888 16.612 6.783 1.00 0.00 H new ATOM 0 HA VAL A 73 21.377 16.749 8.440 1.00 0.00 H new ATOM 0 HB VAL A 73 20.996 16.684 5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.525 16.327 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.080 17.911 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.573 16.586 7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.135 14.430 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.088 14.511 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.571 14.447 6.432 1.00 0.00 H new ATOM 1036 N LYS A 74 21.172 19.307 8.564 1.00 0.00 N ATOM 1037 CA LYS A 74 21.226 20.796 8.605 1.00 0.00 C ATOM 1038 C LYS A 74 22.449 21.356 7.801 1.00 0.00 C ATOM 1039 O LYS A 74 23.579 21.397 8.296 1.00 0.00 O ATOM 1040 CB LYS A 74 21.196 21.219 10.101 1.00 0.00 C ATOM 1041 CG LYS A 74 21.081 22.737 10.388 1.00 0.00 C ATOM 1042 CD LYS A 74 19.830 23.474 9.846 1.00 0.00 C ATOM 1043 CE LYS A 74 18.497 23.215 10.574 1.00 0.00 C ATOM 1044 NZ LYS A 74 17.879 21.928 10.200 1.00 0.00 N ATOM 0 H LYS A 74 21.436 18.860 9.442 1.00 0.00 H new ATOM 0 HA LYS A 74 20.364 21.236 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.356 20.717 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.104 20.849 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.113 22.879 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.964 23.225 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.029 24.545 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.703 23.201 8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.668 23.231 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.803 24.025 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.852 21.978 10.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.068 21.731 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.281 21.167 10.784 1.00 0.00 H new ATOM 1057 N GLY A 75 22.200 21.747 6.541 1.00 0.00 N ATOM 1058 CA GLY A 75 23.276 22.055 5.554 1.00 0.00 C ATOM 1059 C GLY A 75 23.573 21.014 4.440 1.00 0.00 C ATOM 1060 O GLY A 75 24.694 20.984 3.919 1.00 0.00 O ATOM 0 H GLY A 75 21.257 21.861 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.023 22.998 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.199 22.220 6.109 1.00 0.00 H new ATOM 1064 N THR A 76 22.590 20.203 4.012 1.00 0.00 N ATOM 1065 CA THR A 76 22.667 19.458 2.724 1.00 0.00 C ATOM 1066 C THR A 76 22.401 20.395 1.506 1.00 0.00 C ATOM 1067 O THR A 76 21.436 21.165 1.487 1.00 0.00 O ATOM 1068 CB THR A 76 21.759 18.191 2.729 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.954 17.442 1.533 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.242 18.408 2.854 1.00 0.00 C ATOM 0 H THR A 76 21.728 20.041 4.533 1.00 0.00 H new ATOM 0 HA THR A 76 23.688 19.093 2.614 1.00 0.00 H new ATOM 0 HB THR A 76 22.078 17.680 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.380 16.648 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.734 17.443 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.024 18.923 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.891 19.012 2.017 1.00 0.00 H new ATOM 1078 N LYS A 77 23.222 20.269 0.452 1.00 0.00 N ATOM 1079 CA LYS A 77 22.923 20.902 -0.873 1.00 0.00 C ATOM 1080 C LYS A 77 21.764 20.273 -1.738 1.00 0.00 C ATOM 1081 O LYS A 77 21.546 20.709 -2.872 1.00 0.00 O ATOM 1082 CB LYS A 77 24.252 21.080 -1.661 1.00 0.00 C ATOM 1083 CG LYS A 77 25.017 19.794 -2.049 1.00 0.00 C ATOM 1084 CD LYS A 77 26.207 20.061 -2.985 1.00 0.00 C ATOM 1085 CE LYS A 77 27.032 18.789 -3.217 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.164 19.075 -4.116 1.00 0.00 N ATOM 0 H LYS A 77 24.095 19.742 0.475 1.00 0.00 H new ATOM 0 HA LYS A 77 22.485 21.872 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.032 21.632 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.918 21.703 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.377 19.305 -1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.329 19.101 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.843 20.440 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.843 20.836 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 77 27.401 18.407 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.402 18.012 -3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 28.926 18.388 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.849 19.004 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.518 20.036 -3.934 1.00 0.00 H new ATOM 1099 N MET A 78 20.980 19.310 -1.209 1.00 0.00 N ATOM 1100 CA MET A 78 19.749 18.802 -1.862 1.00 0.00 C ATOM 1101 C MET A 78 18.584 19.842 -1.771 1.00 0.00 C ATOM 1102 O MET A 78 17.871 19.923 -0.763 1.00 0.00 O ATOM 1103 CB MET A 78 19.430 17.411 -1.240 1.00 0.00 C ATOM 1104 CG MET A 78 18.118 16.779 -1.747 1.00 0.00 C ATOM 1105 SD MET A 78 18.202 14.955 -1.934 1.00 0.00 S ATOM 1106 CE MET A 78 16.581 14.627 -1.141 1.00 0.00 C ATOM 0 H MET A 78 21.181 18.860 -0.316 1.00 0.00 H new ATOM 0 HA MET A 78 19.892 18.666 -2.934 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.255 16.731 -1.455 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.376 17.514 -0.156 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.314 17.028 -1.054 1.00 0.00 H new ATOM 0 HG3 MET A 78 17.859 17.222 -2.708 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.392 13.554 -1.130 1.00 0.00 H new ATOM 0 HE2 MET A 78 16.594 15.003 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 78 15.793 15.129 -1.703 1.00 0.00 H new ATOM 1116 N ALA A 79 18.370 20.605 -2.860 1.00 0.00 N ATOM 1117 CA ALA A 79 17.235 21.560 -2.963 1.00 0.00 C ATOM 1118 C ALA A 79 15.872 20.861 -3.295 1.00 0.00 C ATOM 1119 O ALA A 79 15.345 20.921 -4.410 1.00 0.00 O ATOM 1120 CB ALA A 79 17.664 22.642 -3.974 1.00 0.00 C ATOM 0 H ALA A 79 18.967 20.583 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 79 17.028 22.026 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.863 23.372 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.562 23.142 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.871 22.178 -4.938 1.00 0.00 H new ATOM 1126 N PHE A 80 15.312 20.197 -2.273 1.00 0.00 N ATOM 1127 CA PHE A 80 14.019 19.473 -2.353 1.00 0.00 C ATOM 1128 C PHE A 80 13.221 19.754 -1.040 1.00 0.00 C ATOM 1129 O PHE A 80 13.745 19.601 0.069 1.00 0.00 O ATOM 1130 CB PHE A 80 14.316 17.961 -2.589 1.00 0.00 C ATOM 1131 CG PHE A 80 13.074 17.075 -2.785 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.349 17.128 -3.980 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.618 16.260 -1.742 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.167 16.405 -4.117 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.439 15.533 -1.884 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.708 15.615 -3.066 1.00 0.00 C ATOM 0 H PHE A 80 15.745 20.143 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 80 13.402 19.811 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.954 17.865 -3.467 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.884 17.581 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.708 17.732 -4.800 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.183 16.195 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.606 16.457 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.091 14.905 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.784 15.065 -3.168 1.00 0.00 H new ATOM 1146 N ALA A 81 11.938 20.134 -1.158 1.00 0.00 N ATOM 1147 CA ALA A 81 11.074 20.402 0.024 1.00 0.00 C ATOM 1148 C ALA A 81 10.698 19.149 0.886 1.00 0.00 C ATOM 1149 O ALA A 81 10.955 19.149 2.094 1.00 0.00 O ATOM 1150 CB ALA A 81 9.849 21.190 -0.482 1.00 0.00 C ATOM 0 H ALA A 81 11.469 20.265 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 81 11.644 20.991 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.186 21.409 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.180 22.124 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.314 20.595 -1.223 1.00 0.00 H new ATOM 1156 N GLY A 82 10.103 18.103 0.284 1.00 0.00 N ATOM 1157 CA GLY A 82 9.661 16.901 1.035 1.00 0.00 C ATOM 1158 C GLY A 82 8.485 16.119 0.408 1.00 0.00 C ATOM 1159 O GLY A 82 7.633 16.667 -0.296 1.00 0.00 O ATOM 0 H GLY A 82 9.915 18.060 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.510 16.225 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.375 17.208 2.041 1.00 0.00 H new ATOM 1163 N LEU A 83 8.416 14.825 0.740 1.00 0.00 N ATOM 1164 CA LEU A 83 7.256 13.950 0.421 1.00 0.00 C ATOM 1165 C LEU A 83 6.400 13.745 1.725 1.00 0.00 C ATOM 1166 O LEU A 83 6.763 12.872 2.525 1.00 0.00 O ATOM 1167 CB LEU A 83 7.768 12.590 -0.145 1.00 0.00 C ATOM 1168 CG LEU A 83 8.476 12.585 -1.523 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.065 11.193 -1.810 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.541 12.984 -2.678 1.00 0.00 C ATOM 0 H LEU A 83 9.162 14.342 1.241 1.00 0.00 H new ATOM 0 HA LEU A 83 6.626 14.413 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.458 12.166 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.915 11.914 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 83 9.268 13.331 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.560 11.201 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.788 10.937 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.264 10.453 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.093 12.962 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.708 12.283 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.158 13.990 -2.505 1.00 0.00 H new ATOM 1182 N PRO A 84 5.276 14.476 2.004 1.00 0.00 N ATOM 1183 CA PRO A 84 4.488 14.296 3.263 1.00 0.00 C ATOM 1184 C PRO A 84 3.712 12.947 3.454 1.00 0.00 C ATOM 1185 O PRO A 84 3.623 12.452 4.582 1.00 0.00 O ATOM 1186 CB PRO A 84 3.585 15.546 3.264 1.00 0.00 C ATOM 1187 CG PRO A 84 3.438 15.944 1.794 1.00 0.00 C ATOM 1188 CD PRO A 84 4.790 15.597 1.170 1.00 0.00 C ATOM 0 HA PRO A 84 5.151 14.212 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.615 15.329 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.031 16.352 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.626 15.398 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.213 17.005 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.687 15.305 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.475 16.445 1.198 1.00 0.00 H new ATOM 1196 N LYS A 85 3.209 12.332 2.372 1.00 0.00 N ATOM 1197 CA LYS A 85 2.554 10.997 2.405 1.00 0.00 C ATOM 1198 C LYS A 85 3.565 9.817 2.599 1.00 0.00 C ATOM 1199 O LYS A 85 4.411 9.551 1.739 1.00 0.00 O ATOM 1200 CB LYS A 85 1.759 10.830 1.076 1.00 0.00 C ATOM 1201 CG LYS A 85 0.347 11.461 1.032 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.715 10.613 1.762 1.00 0.00 C ATOM 1203 CE LYS A 85 -2.141 11.149 1.571 1.00 0.00 C ATOM 1204 NZ LYS A 85 -3.108 10.207 2.167 1.00 0.00 N ATOM 0 H LYS A 85 3.241 12.743 1.439 1.00 0.00 H new ATOM 0 HA LYS A 85 1.892 10.955 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.351 11.261 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.663 9.764 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.384 12.453 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.047 11.594 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.666 9.587 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.482 10.585 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.238 12.129 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.352 11.280 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.069 10.450 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.879 9.238 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.059 10.269 3.204 1.00 0.00 H new ATOM 1217 N ILE A 86 3.416 9.058 3.704 1.00 0.00 N ATOM 1218 CA ILE A 86 4.141 7.766 3.929 1.00 0.00 C ATOM 1219 C ILE A 86 3.961 6.670 2.818 1.00 0.00 C ATOM 1220 O ILE A 86 4.946 6.024 2.456 1.00 0.00 O ATOM 1221 CB ILE A 86 3.872 7.252 5.393 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.723 6.015 5.798 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.384 6.924 5.694 1.00 0.00 C ATOM 1224 CD1 ILE A 86 6.242 6.237 5.882 1.00 0.00 C ATOM 0 H ILE A 86 2.794 9.313 4.471 1.00 0.00 H new ATOM 0 HA ILE A 86 5.203 7.990 3.829 1.00 0.00 H new ATOM 0 HB ILE A 86 4.175 8.110 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.374 5.661 6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.532 5.217 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.289 6.577 6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.779 7.820 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.039 6.144 5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.730 5.307 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.617 6.556 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.457 7.006 6.624 1.00 0.00 H new ATOM 1236 N GLU A 87 2.749 6.489 2.255 1.00 0.00 N ATOM 1237 CA GLU A 87 2.522 5.626 1.058 1.00 0.00 C ATOM 1238 C GLU A 87 3.422 5.925 -0.192 1.00 0.00 C ATOM 1239 O GLU A 87 4.046 4.999 -0.708 1.00 0.00 O ATOM 1240 CB GLU A 87 0.998 5.549 0.757 1.00 0.00 C ATOM 1241 CG GLU A 87 0.306 6.842 0.249 1.00 0.00 C ATOM 1242 CD GLU A 87 -1.214 6.747 0.146 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.616 6.030 -0.940 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -1.986 7.270 0.945 1.00 0.00 O ATOM 0 H GLU A 87 1.900 6.930 2.608 1.00 0.00 H new ATOM 0 HA GLU A 87 2.875 4.628 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.840 4.768 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.490 5.230 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.562 7.663 0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.709 7.094 -0.732 1.00 0.00 H new ATOM 1251 N ASP A 88 3.565 7.197 -0.617 1.00 0.00 N ATOM 1252 CA ASP A 88 4.575 7.617 -1.642 1.00 0.00 C ATOM 1253 C ASP A 88 6.074 7.377 -1.258 1.00 0.00 C ATOM 1254 O ASP A 88 6.839 6.910 -2.106 1.00 0.00 O ATOM 1255 CB ASP A 88 4.343 9.105 -2.020 1.00 0.00 C ATOM 1256 CG ASP A 88 3.049 9.367 -2.791 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.905 9.117 -3.982 1.00 0.00 O ATOM 1258 OD2 ASP A 88 2.069 9.890 -2.006 1.00 0.00 O ATOM 0 H ASP A 88 2.993 7.967 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 88 4.408 6.962 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.335 9.702 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.185 9.450 -2.620 1.00 0.00 H new ATOM 1263 N ARG A 89 6.485 7.650 -0.002 1.00 0.00 N ATOM 1264 CA ARG A 89 7.826 7.247 0.521 1.00 0.00 C ATOM 1265 C ARG A 89 8.086 5.699 0.508 1.00 0.00 C ATOM 1266 O ARG A 89 9.095 5.267 -0.053 1.00 0.00 O ATOM 1267 CB ARG A 89 8.086 7.870 1.924 1.00 0.00 C ATOM 1268 CG ARG A 89 7.945 9.412 2.031 1.00 0.00 C ATOM 1269 CD ARG A 89 8.603 10.065 3.265 1.00 0.00 C ATOM 1270 NE ARG A 89 8.028 9.638 4.577 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.996 10.207 5.197 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.248 11.134 4.667 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.728 9.826 6.409 1.00 0.00 N ATOM 0 H ARG A 89 5.912 8.149 0.678 1.00 0.00 H new ATOM 0 HA ARG A 89 8.554 7.655 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.396 7.414 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.093 7.596 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.374 9.860 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.884 9.661 2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.668 9.833 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.512 11.148 3.179 1.00 0.00 H new ATOM 0 HE ARG A 89 8.465 8.840 5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.439 11.465 3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.471 11.528 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.301 9.111 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.944 10.242 6.913 1.00 0.00 H new ATOM 1287 N ALA A 90 7.169 4.870 1.049 1.00 0.00 N ATOM 1288 CA ALA A 90 7.181 3.394 0.852 1.00 0.00 C ATOM 1289 C ALA A 90 7.145 2.870 -0.624 1.00 0.00 C ATOM 1290 O ALA A 90 7.936 1.987 -0.962 1.00 0.00 O ATOM 1291 CB ALA A 90 6.005 2.839 1.675 1.00 0.00 C ATOM 0 H ALA A 90 6.400 5.197 1.633 1.00 0.00 H new ATOM 0 HA ALA A 90 8.153 3.032 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.965 1.755 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.144 3.094 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.072 3.274 1.316 1.00 0.00 H new ATOM 1297 N ASN A 91 6.274 3.411 -1.505 1.00 0.00 N ATOM 1298 CA ASN A 91 6.311 3.138 -2.975 1.00 0.00 C ATOM 1299 C ASN A 91 7.691 3.425 -3.663 1.00 0.00 C ATOM 1300 O ASN A 91 8.250 2.548 -4.328 1.00 0.00 O ATOM 1301 CB ASN A 91 5.175 3.932 -3.689 1.00 0.00 C ATOM 1302 CG ASN A 91 3.721 3.551 -3.395 1.00 0.00 C ATOM 1303 OD1 ASN A 91 2.785 4.424 -3.676 1.00 0.00 O flip ATOM 1304 ND2 ASN A 91 3.395 2.465 -2.935 1.00 0.00 N flip ATOM 0 H ASN A 91 5.526 4.047 -1.228 1.00 0.00 H new ATOM 0 HA ASN A 91 6.156 2.064 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.299 4.986 -3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.331 3.840 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.108 1.772 -2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.410 2.253 -2.777 1.00 0.00 H new ATOM 1311 N LEU A 92 8.249 4.636 -3.469 1.00 0.00 N ATOM 1312 CA LEU A 92 9.638 4.984 -3.874 1.00 0.00 C ATOM 1313 C LEU A 92 10.778 4.099 -3.266 1.00 0.00 C ATOM 1314 O LEU A 92 11.655 3.665 -4.014 1.00 0.00 O ATOM 1315 CB LEU A 92 9.794 6.498 -3.572 1.00 0.00 C ATOM 1316 CG LEU A 92 11.132 7.163 -3.976 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.403 7.099 -5.486 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.130 8.628 -3.532 1.00 0.00 C ATOM 0 H LEU A 92 7.752 5.408 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 92 9.768 4.765 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.987 7.029 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.652 6.646 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 92 11.925 6.604 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.355 7.582 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.442 6.057 -5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.604 7.612 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.072 9.096 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.305 9.153 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.012 8.680 -2.450 1.00 0.00 H new ATOM 1330 N ILE A 93 10.770 3.802 -1.953 1.00 0.00 N ATOM 1331 CA ILE A 93 11.739 2.846 -1.326 1.00 0.00 C ATOM 1332 C ILE A 93 11.590 1.372 -1.862 1.00 0.00 C ATOM 1333 O ILE A 93 12.620 0.772 -2.167 1.00 0.00 O ATOM 1334 CB ILE A 93 11.751 3.022 0.237 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.241 4.440 0.680 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.611 1.960 0.971 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.842 4.857 2.105 1.00 0.00 C ATOM 0 H ILE A 93 10.105 4.205 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 93 12.748 3.102 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 93 10.708 2.889 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.328 4.472 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.848 5.177 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.574 2.141 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.221 0.965 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.643 2.027 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.229 5.854 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.755 4.864 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.258 4.148 2.821 1.00 0.00 H new ATOM 1349 N ALA A 94 10.377 0.809 -2.068 1.00 0.00 N ATOM 1350 CA ALA A 94 10.191 -0.426 -2.890 1.00 0.00 C ATOM 1351 C ALA A 94 10.767 -0.393 -4.350 1.00 0.00 C ATOM 1352 O ALA A 94 11.428 -1.348 -4.767 1.00 0.00 O ATOM 1353 CB ALA A 94 8.690 -0.777 -2.888 1.00 0.00 C ATOM 0 H ALA A 94 9.511 1.183 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 94 10.794 -1.200 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.526 -1.676 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.359 -0.953 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.123 0.049 -3.316 1.00 0.00 H new ATOM 1359 N TYR A 95 10.572 0.709 -5.104 1.00 0.00 N ATOM 1360 CA TYR A 95 11.312 0.972 -6.373 1.00 0.00 C ATOM 1361 C TYR A 95 12.876 1.028 -6.247 1.00 0.00 C ATOM 1362 O TYR A 95 13.564 0.348 -7.012 1.00 0.00 O ATOM 1363 CB TYR A 95 10.675 2.241 -7.009 1.00 0.00 C ATOM 1364 CG TYR A 95 11.260 2.660 -8.364 1.00 0.00 C ATOM 1365 CD1 TYR A 95 10.995 1.904 -9.510 1.00 0.00 C ATOM 1366 CD2 TYR A 95 12.114 3.765 -8.447 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.585 2.244 -10.723 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.697 4.105 -9.663 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.431 3.346 -10.799 1.00 0.00 C ATOM 1370 OH TYR A 95 12.983 3.698 -11.999 1.00 0.00 O ATOM 0 H TYR A 95 9.905 1.441 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 95 11.197 0.114 -7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.606 2.068 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.786 3.071 -6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.331 1.054 -9.453 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.321 4.355 -7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.387 1.653 -11.605 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.356 4.958 -9.726 1.00 0.00 H new ATOM 0 HH TYR A 95 12.451 3.317 -12.728 1.00 0.00 H new ATOM 1380 N LEU A 96 13.435 1.798 -5.298 1.00 0.00 N ATOM 1381 CA LEU A 96 14.904 1.826 -5.032 1.00 0.00 C ATOM 1382 C LEU A 96 15.523 0.523 -4.406 1.00 0.00 C ATOM 1383 O LEU A 96 16.690 0.236 -4.667 1.00 0.00 O ATOM 1384 CB LEU A 96 15.231 3.109 -4.218 1.00 0.00 C ATOM 1385 CG LEU A 96 14.877 4.484 -4.862 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.139 5.632 -3.874 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.626 4.748 -6.182 1.00 0.00 C ATOM 0 H LEU A 96 12.896 2.417 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 96 15.400 1.855 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.711 3.042 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.299 3.105 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 96 13.814 4.440 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.885 6.582 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.526 5.493 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.192 5.637 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.334 5.721 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.700 4.738 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.374 3.972 -6.905 1.00 0.00 H new ATOM 1399 N GLU A 97 14.763 -0.303 -3.658 1.00 0.00 N ATOM 1400 CA GLU A 97 15.093 -1.746 -3.425 1.00 0.00 C ATOM 1401 C GLU A 97 15.196 -2.636 -4.716 1.00 0.00 C ATOM 1402 O GLU A 97 16.093 -3.479 -4.791 1.00 0.00 O ATOM 1403 CB GLU A 97 14.057 -2.356 -2.436 1.00 0.00 C ATOM 1404 CG GLU A 97 14.175 -1.887 -0.966 1.00 0.00 C ATOM 1405 CD GLU A 97 13.046 -2.380 -0.065 1.00 0.00 C ATOM 1406 OE1 GLU A 97 13.238 -3.671 0.336 1.00 0.00 O ATOM 1407 OE2 GLU A 97 12.084 -1.689 0.259 1.00 0.00 O ATOM 0 H GLU A 97 13.905 -0.002 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 97 16.099 -1.752 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.056 -2.117 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.154 -3.441 -2.461 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.126 -2.232 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.195 -0.797 -0.943 1.00 0.00 H new ATOM 1414 N GLY A 98 14.314 -2.454 -5.721 1.00 0.00 N ATOM 1415 CA GLY A 98 14.536 -2.991 -7.095 1.00 0.00 C ATOM 1416 C GLY A 98 15.735 -2.420 -7.899 1.00 0.00 C ATOM 1417 O GLY A 98 16.506 -3.194 -8.469 1.00 0.00 O ATOM 0 H GLY A 98 13.439 -1.940 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.665 -4.071 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.629 -2.819 -7.675 1.00 0.00 H new ATOM 1421 N GLN A 99 15.899 -1.086 -7.943 1.00 0.00 N ATOM 1422 CA GLN A 99 17.092 -0.431 -8.555 1.00 0.00 C ATOM 1423 C GLN A 99 18.353 -0.499 -7.624 1.00 0.00 C ATOM 1424 O GLN A 99 18.665 0.446 -6.890 1.00 0.00 O ATOM 1425 CB GLN A 99 16.726 1.037 -8.928 1.00 0.00 C ATOM 1426 CG GLN A 99 15.682 1.258 -10.059 1.00 0.00 C ATOM 1427 CD GLN A 99 16.007 0.811 -11.494 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.119 0.438 -12.253 1.00 0.00 O ATOM 1429 NE2 GLN A 99 17.239 0.853 -11.953 1.00 0.00 N ATOM 0 H GLN A 99 15.220 -0.427 -7.561 1.00 0.00 H new ATOM 0 HA GLN A 99 17.365 -0.975 -9.459 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.355 1.529 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.645 1.549 -9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.765 0.750 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.459 2.324 -10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.999 1.159 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.434 0.580 -12.916 1.00 0.00 H new ATOM 1438 N GLN A 100 19.081 -1.627 -7.678 1.00 0.00 N ATOM 1439 CA GLN A 100 20.313 -1.849 -6.877 1.00 0.00 C ATOM 1440 C GLN A 100 21.465 -2.262 -7.828 1.00 0.00 C ATOM 1441 O GLN A 100 21.620 -3.466 -8.138 1.00 0.00 O ATOM 1442 CB GLN A 100 20.044 -2.843 -5.713 1.00 0.00 C ATOM 1443 CG GLN A 100 19.142 -2.329 -4.551 1.00 0.00 C ATOM 1444 CD GLN A 100 19.772 -1.377 -3.523 1.00 0.00 C ATOM 1445 OE1 GLN A 100 19.560 -0.168 -3.507 1.00 0.00 O ATOM 1446 NE2 GLN A 100 20.529 -1.905 -2.590 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.227 -1.368 -8.271 1.00 0.00 O ATOM 0 H GLN A 100 18.838 -2.416 -8.277 1.00 0.00 H new ATOM 0 HA GLN A 100 20.628 -0.928 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 100 19.585 -3.739 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 100 21.004 -3.143 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 100 18.283 -1.824 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 100 18.761 -3.197 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 100 20.714 -2.908 -2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 100 20.932 -1.312 -1.864 1.00 0.00 H new