USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 88 GLN : amide:sc=-0.00576 K(o=-1.4,f=-2.3) USER MOD Set 1.2: A 101 MET CE :methyl -166:sc= -1.39 (180deg=-1.75) USER MOD Set 1.3: A 105 ASN : amide:sc=0.000618 K(o=-1.4,f=-2.4) USER MOD Set 2.1: A 72 HIS : no HD1:sc= 0.739 K(o=1.6,f=-2) USER MOD Set 2.2: A 91 SER OG : rot 114:sc= 0.892 USER MOD Set 3.1: A 61 MET CE :methyl -158:sc= -0.0533 (180deg=-0.462) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 38 HIS : no HD1:sc= -0.184 K(o=-0.18,f=-2.5) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.773 (180deg=0.769) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 46 MET CE :methyl -165:sc=-0.00083 (180deg=-0.165) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -161:sc= -0.0252 (180deg=-1.09) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.175 X(o=0.18,f=0) USER MOD Single : A 59 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.907 K(o=0.91,f=-0.0034) USER MOD Single : A 69 GLN : amide:sc= 0.263 X(o=0.26,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.679 K(o=0.68,f=-0.017) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 89 SER OG : rot -151:sc= 0.968 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 11.884 6.396 5.236 1.00 0.00 N ATOM 69 CA VAL A 27 13.235 6.887 4.868 1.00 0.00 C ATOM 70 C VAL A 27 13.173 8.084 3.899 1.00 0.00 C ATOM 71 O VAL A 27 12.095 8.459 3.443 1.00 0.00 O ATOM 72 CB VAL A 27 14.118 5.739 4.321 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.324 4.648 5.378 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.558 5.093 3.048 1.00 0.00 C ATOM 0 HA VAL A 27 13.707 7.254 5.779 1.00 0.00 H new ATOM 0 HB VAL A 27 15.071 6.204 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.948 3.855 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.813 5.077 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.358 4.236 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.226 4.297 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.572 4.677 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.477 5.845 2.263 1.00 0.00 H new ATOM 84 N ARG A 28 14.313 8.728 3.606 1.00 0.00 N ATOM 85 CA ARG A 28 14.457 9.746 2.531 1.00 0.00 C ATOM 86 C ARG A 28 14.960 9.124 1.207 1.00 0.00 C ATOM 87 O ARG A 28 15.602 8.072 1.243 1.00 0.00 O ATOM 88 CB ARG A 28 15.362 10.921 2.972 1.00 0.00 C ATOM 89 CG ARG A 28 16.631 10.518 3.734 1.00 0.00 C ATOM 90 CD ARG A 28 17.537 11.739 3.941 1.00 0.00 C ATOM 91 NE ARG A 28 18.741 11.394 4.723 1.00 0.00 N ATOM 92 CZ ARG A 28 18.869 11.345 6.039 1.00 0.00 C ATOM 93 NH1 ARG A 28 17.882 11.596 6.853 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.015 11.033 6.571 1.00 0.00 N ATOM 0 H ARG A 28 15.182 8.559 4.113 1.00 0.00 H new ATOM 0 HA ARG A 28 13.461 10.147 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.653 11.486 2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.778 11.592 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.363 10.088 4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.168 9.748 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.834 12.141 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.981 12.523 4.455 1.00 0.00 H new ATOM 0 HE ARG A 28 19.576 11.166 4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.965 11.842 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.027 11.546 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.815 10.826 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.113 10.995 7.586 1.00 0.00 H new ATOM 108 N PRO A 29 14.705 9.767 0.046 1.00 0.00 N ATOM 109 CA PRO A 29 15.310 9.401 -1.242 1.00 0.00 C ATOM 110 C PRO A 29 16.821 9.683 -1.291 1.00 0.00 C ATOM 111 O PRO A 29 17.403 10.244 -0.357 1.00 0.00 O ATOM 112 CB PRO A 29 14.548 10.235 -2.279 1.00 0.00 C ATOM 113 CG PRO A 29 14.170 11.498 -1.511 1.00 0.00 C ATOM 114 CD PRO A 29 13.846 10.935 -0.129 1.00 0.00 C ATOM 0 HA PRO A 29 15.229 8.330 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.169 10.463 -3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.667 9.710 -2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.988 12.217 -1.478 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.315 12.007 -1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.034 11.677 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.794 10.659 -0.058 1.00 0.00 H new ATOM 122 N LYS A 30 17.460 9.307 -2.408 1.00 0.00 N ATOM 123 CA LYS A 30 18.895 9.507 -2.643 1.00 0.00 C ATOM 124 C LYS A 30 19.242 11.002 -2.723 1.00 0.00 C ATOM 125 O LYS A 30 18.442 11.810 -3.191 1.00 0.00 O ATOM 126 CB LYS A 30 19.281 8.678 -3.881 1.00 0.00 C ATOM 127 CG LYS A 30 20.782 8.674 -4.192 1.00 0.00 C ATOM 128 CD LYS A 30 21.254 7.444 -4.977 1.00 0.00 C ATOM 129 CE LYS A 30 21.278 6.185 -4.095 1.00 0.00 C ATOM 130 NZ LYS A 30 21.580 4.970 -4.901 1.00 0.00 N ATOM 0 H LYS A 30 16.985 8.848 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 30 19.496 9.149 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.949 7.650 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.743 9.066 -4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.027 9.571 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.337 8.729 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.594 7.280 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.251 7.628 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.027 6.301 -3.312 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.314 6.066 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.623 4.140 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.833 4.830 -5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.495 5.090 -5.381 1.00 0.00 H new ATOM 144 N LEU A 31 20.446 11.371 -2.288 1.00 0.00 N ATOM 145 CA LEU A 31 20.869 12.770 -2.073 1.00 0.00 C ATOM 146 C LEU A 31 20.674 13.712 -3.284 1.00 0.00 C ATOM 147 O LEU A 31 20.014 14.735 -3.115 1.00 0.00 O ATOM 148 CB LEU A 31 22.311 12.810 -1.521 1.00 0.00 C ATOM 149 CG LEU A 31 22.533 12.061 -0.189 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.993 12.204 0.240 1.00 0.00 C ATOM 151 CD2 LEU A 31 21.650 12.589 0.944 1.00 0.00 C ATOM 0 H LEU A 31 21.178 10.696 -2.068 1.00 0.00 H new ATOM 0 HA LEU A 31 20.188 13.178 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 31 22.980 12.389 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.601 13.852 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 31 22.268 11.019 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.149 11.675 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.641 11.780 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.231 13.259 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 31 21.850 12.024 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.869 13.643 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 20.601 12.476 0.670 1.00 0.00 H new ATOM 163 N PRO A 32 21.125 13.395 -4.515 1.00 0.00 N ATOM 164 CA PRO A 32 20.859 14.237 -5.688 1.00 0.00 C ATOM 165 C PRO A 32 19.370 14.338 -6.066 1.00 0.00 C ATOM 166 O PRO A 32 18.979 15.326 -6.681 1.00 0.00 O ATOM 167 CB PRO A 32 21.712 13.645 -6.819 1.00 0.00 C ATOM 168 CG PRO A 32 21.931 12.196 -6.390 1.00 0.00 C ATOM 169 CD PRO A 32 22.055 12.338 -4.878 1.00 0.00 C ATOM 0 HA PRO A 32 21.126 15.272 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.200 13.705 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.657 14.177 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.097 11.554 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.829 11.768 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.806 11.404 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.074 12.594 -4.589 1.00 0.00 H new ATOM 177 N LEU A 33 18.513 13.386 -5.664 1.00 0.00 N ATOM 178 CA LEU A 33 17.052 13.535 -5.800 1.00 0.00 C ATOM 179 C LEU A 33 16.498 14.454 -4.697 1.00 0.00 C ATOM 180 O LEU A 33 15.673 15.315 -4.980 1.00 0.00 O ATOM 181 CB LEU A 33 16.379 12.145 -5.889 1.00 0.00 C ATOM 182 CG LEU A 33 14.943 12.173 -6.468 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.593 10.831 -7.110 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.857 12.445 -5.424 1.00 0.00 C ATOM 0 H LEU A 33 18.805 12.504 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 33 16.808 14.037 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.996 11.494 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.349 11.703 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 33 14.956 12.989 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.580 10.872 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.294 10.620 -7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.655 10.042 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.880 12.449 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.882 11.666 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.035 13.414 -4.958 1.00 0.00 H new ATOM 196 N LEU A 34 17.022 14.386 -3.468 1.00 0.00 N ATOM 197 CA LEU A 34 16.696 15.340 -2.392 1.00 0.00 C ATOM 198 C LEU A 34 17.031 16.796 -2.780 1.00 0.00 C ATOM 199 O LEU A 34 16.251 17.707 -2.492 1.00 0.00 O ATOM 200 CB LEU A 34 17.406 14.886 -1.100 1.00 0.00 C ATOM 201 CG LEU A 34 16.873 15.523 0.198 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.464 15.035 0.534 1.00 0.00 C ATOM 203 CD2 LEU A 34 17.792 15.139 1.357 1.00 0.00 C ATOM 0 H LEU A 34 17.687 13.666 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 34 15.620 15.338 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.318 13.803 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.468 15.114 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 34 16.845 16.602 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.125 15.508 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.785 15.296 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.475 13.953 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.421 15.586 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.811 14.054 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.800 15.502 1.158 1.00 0.00 H new ATOM 215 N LYS A 35 18.112 17.012 -3.546 1.00 0.00 N ATOM 216 CA LYS A 35 18.449 18.329 -4.126 1.00 0.00 C ATOM 217 C LYS A 35 17.360 18.882 -5.060 1.00 0.00 C ATOM 218 O LYS A 35 17.221 20.097 -5.164 1.00 0.00 O ATOM 219 CB LYS A 35 19.792 18.279 -4.890 1.00 0.00 C ATOM 220 CG LYS A 35 21.053 17.882 -4.098 1.00 0.00 C ATOM 221 CD LYS A 35 21.730 19.008 -3.303 1.00 0.00 C ATOM 222 CE LYS A 35 20.909 19.437 -2.083 1.00 0.00 C ATOM 223 NZ LYS A 35 21.643 20.412 -1.230 1.00 0.00 N ATOM 0 H LYS A 35 18.781 16.279 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 35 18.530 19.005 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 35 19.681 17.578 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.966 19.262 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.786 17.084 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.781 17.468 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 35 22.715 18.676 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.883 19.868 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.971 19.881 -2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.653 18.558 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.051 20.676 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.526 19.980 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.865 21.262 -1.787 1.00 0.00 H new ATOM 237 N ILE A 36 16.548 18.029 -5.690 1.00 0.00 N ATOM 238 CA ILE A 36 15.416 18.444 -6.542 1.00 0.00 C ATOM 239 C ILE A 36 14.260 18.981 -5.684 1.00 0.00 C ATOM 240 O ILE A 36 13.645 19.985 -6.037 1.00 0.00 O ATOM 241 CB ILE A 36 14.985 17.286 -7.475 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.177 16.877 -8.372 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.776 17.674 -8.338 1.00 0.00 C ATOM 244 CD1 ILE A 36 15.918 15.646 -9.239 1.00 0.00 C ATOM 0 H ILE A 36 16.654 17.017 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 36 15.735 19.264 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 36 14.685 16.441 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.434 17.715 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.044 16.686 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.503 16.836 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.934 17.926 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.031 18.535 -8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.804 15.429 -9.836 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.692 14.792 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.073 15.838 -9.900 1.00 0.00 H new ATOM 256 N LEU A 37 14.011 18.395 -4.508 1.00 0.00 N ATOM 257 CA LEU A 37 13.038 18.936 -3.551 1.00 0.00 C ATOM 258 C LEU A 37 13.548 20.240 -2.913 1.00 0.00 C ATOM 259 O LEU A 37 12.767 21.172 -2.718 1.00 0.00 O ATOM 260 CB LEU A 37 12.664 17.888 -2.487 1.00 0.00 C ATOM 261 CG LEU A 37 11.830 16.708 -3.028 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.689 15.638 -3.703 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.101 16.027 -1.874 1.00 0.00 C ATOM 0 H LEU A 37 14.472 17.541 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 37 12.129 19.180 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.578 17.498 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.105 18.379 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 37 11.142 17.128 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.050 14.833 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.226 16.079 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.404 15.239 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.512 15.194 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.829 15.656 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.441 16.744 -1.387 1.00 0.00 H new ATOM 275 N HIS A 38 14.864 20.362 -2.687 1.00 0.00 N ATOM 276 CA HIS A 38 15.474 21.642 -2.287 1.00 0.00 C ATOM 277 C HIS A 38 15.310 22.714 -3.383 1.00 0.00 C ATOM 278 O HIS A 38 14.909 23.838 -3.081 1.00 0.00 O ATOM 279 CB HIS A 38 16.949 21.455 -1.892 1.00 0.00 C ATOM 280 CG HIS A 38 17.232 20.559 -0.701 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.514 20.277 -0.218 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.322 19.914 0.090 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.346 19.469 0.844 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.041 19.234 1.050 1.00 0.00 N ATOM 0 H HIS A 38 15.527 19.592 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 38 14.942 22.000 -1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.483 21.053 -2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.372 22.438 -1.685 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.247 19.933 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 38 19.148 19.066 1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.648 18.652 1.790 1.00 0.00 H new ATOM 292 N ALA A 39 15.507 22.361 -4.661 1.00 0.00 N ATOM 293 CA ALA A 39 15.261 23.245 -5.808 1.00 0.00 C ATOM 294 C ALA A 39 13.780 23.643 -5.960 1.00 0.00 C ATOM 295 O ALA A 39 13.479 24.741 -6.434 1.00 0.00 O ATOM 296 CB ALA A 39 15.750 22.547 -7.081 1.00 0.00 C ATOM 0 H ALA A 39 15.847 21.438 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 39 15.810 24.171 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.573 23.193 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.817 22.340 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.208 21.610 -7.213 1.00 0.00 H new ATOM 302 N ALA A 40 12.854 22.786 -5.511 1.00 0.00 N ATOM 303 CA ALA A 40 11.425 23.091 -5.425 1.00 0.00 C ATOM 304 C ALA A 40 11.082 24.118 -4.315 1.00 0.00 C ATOM 305 O ALA A 40 9.932 24.552 -4.214 1.00 0.00 O ATOM 306 CB ALA A 40 10.650 21.779 -5.229 1.00 0.00 C ATOM 0 H ALA A 40 13.084 21.845 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 40 11.127 23.567 -6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.583 21.993 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.836 21.117 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.980 21.295 -4.310 1.00 0.00 H new ATOM 312 N GLY A 41 12.060 24.510 -3.483 1.00 0.00 N ATOM 313 CA GLY A 41 11.918 25.510 -2.419 1.00 0.00 C ATOM 314 C GLY A 41 11.554 24.946 -1.038 1.00 0.00 C ATOM 315 O GLY A 41 11.108 25.711 -0.178 1.00 0.00 O ATOM 0 H GLY A 41 13.003 24.125 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.854 26.062 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.152 26.226 -2.715 1.00 0.00 H new ATOM 319 N ALA A 42 11.721 23.636 -0.812 1.00 0.00 N ATOM 320 CA ALA A 42 11.343 22.953 0.430 1.00 0.00 C ATOM 321 C ALA A 42 12.512 22.199 1.095 1.00 0.00 C ATOM 322 O ALA A 42 13.306 21.533 0.427 1.00 0.00 O ATOM 323 CB ALA A 42 10.174 22.011 0.122 1.00 0.00 C ATOM 0 H ALA A 42 12.132 23.009 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 42 11.044 23.707 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.876 21.492 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.332 22.589 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.482 21.282 -0.627 1.00 0.00 H new ATOM 329 N GLN A 43 12.590 22.264 2.428 1.00 0.00 N ATOM 330 CA GLN A 43 13.495 21.441 3.243 1.00 0.00 C ATOM 331 C GLN A 43 12.937 20.007 3.376 1.00 0.00 C ATOM 332 O GLN A 43 11.719 19.804 3.353 1.00 0.00 O ATOM 333 CB GLN A 43 13.691 22.127 4.610 1.00 0.00 C ATOM 334 CG GLN A 43 14.680 21.401 5.542 1.00 0.00 C ATOM 335 CD GLN A 43 14.846 22.091 6.898 1.00 0.00 C ATOM 336 OE1 GLN A 43 14.899 23.309 7.023 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.940 21.336 7.974 1.00 0.00 N ATOM 0 H GLN A 43 12.017 22.900 2.982 1.00 0.00 H new ATOM 0 HA GLN A 43 14.470 21.353 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.044 23.145 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.725 22.201 5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.336 20.379 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.652 21.338 5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.898 20.320 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.055 21.767 8.891 1.00 0.00 H new ATOM 346 N GLY A 44 13.813 19.010 3.553 1.00 0.00 N ATOM 347 CA GLY A 44 13.395 17.621 3.765 1.00 0.00 C ATOM 348 C GLY A 44 14.483 16.687 4.291 1.00 0.00 C ATOM 349 O GLY A 44 15.660 16.850 3.966 1.00 0.00 O ATOM 0 H GLY A 44 14.824 19.143 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.561 17.613 4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.022 17.223 2.821 1.00 0.00 H new ATOM 353 N GLU A 45 14.075 15.708 5.108 1.00 0.00 N ATOM 354 CA GLU A 45 14.974 14.759 5.795 1.00 0.00 C ATOM 355 C GLU A 45 14.488 13.294 5.793 1.00 0.00 C ATOM 356 O GLU A 45 15.286 12.415 6.106 1.00 0.00 O ATOM 357 CB GLU A 45 15.187 15.226 7.250 1.00 0.00 C ATOM 358 CG GLU A 45 15.947 16.555 7.361 1.00 0.00 C ATOM 359 CD GLU A 45 16.145 16.966 8.832 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.051 16.419 9.508 1.00 0.00 O ATOM 361 OE2 GLU A 45 15.405 17.855 9.322 1.00 0.00 O ATOM 0 H GLU A 45 13.090 15.546 5.318 1.00 0.00 H new ATOM 0 HA GLU A 45 15.906 14.764 5.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.217 15.330 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.735 14.457 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.917 16.463 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.398 17.335 6.834 1.00 0.00 H new ATOM 368 N MET A 46 13.220 13.016 5.455 1.00 0.00 N ATOM 369 CA MET A 46 12.535 11.701 5.448 1.00 0.00 C ATOM 370 C MET A 46 11.102 11.865 4.899 1.00 0.00 C ATOM 371 O MET A 46 10.348 12.689 5.421 1.00 0.00 O ATOM 372 CB MET A 46 12.432 11.136 6.882 1.00 0.00 C ATOM 373 CG MET A 46 13.520 10.108 7.223 1.00 0.00 C ATOM 374 SD MET A 46 13.835 9.874 8.995 1.00 0.00 S ATOM 375 CE MET A 46 14.679 11.438 9.368 1.00 0.00 C ATOM 0 H MET A 46 12.591 13.760 5.154 1.00 0.00 H new ATOM 0 HA MET A 46 13.113 11.021 4.822 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.489 11.961 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.454 10.672 7.010 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.238 9.148 6.791 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.449 10.414 6.742 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.177 11.361 10.334 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.418 11.646 8.594 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.949 12.247 9.400 1.00 0.00 H new ATOM 385 N PHE A 47 10.712 11.088 3.876 1.00 0.00 N ATOM 386 CA PHE A 47 9.348 11.094 3.307 1.00 0.00 C ATOM 387 C PHE A 47 9.070 9.959 2.298 1.00 0.00 C ATOM 388 O PHE A 47 9.965 9.491 1.596 1.00 0.00 O ATOM 389 CB PHE A 47 8.958 12.442 2.667 1.00 0.00 C ATOM 390 CG PHE A 47 10.044 13.412 2.272 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.123 12.976 1.491 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.918 14.766 2.619 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.084 13.904 1.052 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.871 15.696 2.174 1.00 0.00 C ATOM 395 CZ PHE A 47 11.955 15.262 1.391 1.00 0.00 C ATOM 0 H PHE A 47 11.339 10.430 3.413 1.00 0.00 H new ATOM 0 HA PHE A 47 8.721 10.922 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.373 12.224 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.296 12.957 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.216 11.933 1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.088 15.092 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.921 13.573 0.455 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.772 16.740 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.691 15.974 1.049 1.00 0.00 H new ATOM 405 N THR A 48 7.798 9.559 2.204 1.00 0.00 N ATOM 406 CA THR A 48 7.261 8.544 1.260 1.00 0.00 C ATOM 407 C THR A 48 7.127 9.069 -0.183 1.00 0.00 C ATOM 408 O THR A 48 7.292 10.263 -0.420 1.00 0.00 O ATOM 409 CB THR A 48 5.866 8.057 1.702 1.00 0.00 C ATOM 410 OG1 THR A 48 4.930 9.109 1.579 1.00 0.00 O ATOM 411 CG2 THR A 48 5.822 7.534 3.134 1.00 0.00 C ATOM 0 H THR A 48 7.072 9.945 2.807 1.00 0.00 H new ATOM 0 HA THR A 48 7.986 7.730 1.277 1.00 0.00 H new ATOM 0 HB THR A 48 5.618 7.223 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.045 8.794 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.809 7.210 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.506 6.691 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.120 8.327 3.820 1.00 0.00 H new ATOM 419 N VAL A 49 6.742 8.222 -1.159 1.00 0.00 N ATOM 420 CA VAL A 49 6.365 8.693 -2.518 1.00 0.00 C ATOM 421 C VAL A 49 5.267 9.754 -2.429 1.00 0.00 C ATOM 422 O VAL A 49 5.446 10.835 -2.978 1.00 0.00 O ATOM 423 CB VAL A 49 5.930 7.534 -3.452 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.089 7.953 -4.669 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.164 6.826 -4.021 1.00 0.00 C ATOM 0 H VAL A 49 6.682 7.211 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 49 7.257 9.137 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 49 5.316 6.899 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.836 7.071 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.173 8.437 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.660 8.648 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.848 6.014 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.762 7.538 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.761 6.422 -3.203 1.00 0.00 H new ATOM 435 N LYS A 50 4.175 9.507 -1.693 1.00 0.00 N ATOM 436 CA LYS A 50 3.036 10.437 -1.577 1.00 0.00 C ATOM 437 C LYS A 50 3.457 11.825 -1.075 1.00 0.00 C ATOM 438 O LYS A 50 2.969 12.844 -1.564 1.00 0.00 O ATOM 439 CB LYS A 50 2.002 9.774 -0.657 1.00 0.00 C ATOM 440 CG LYS A 50 0.663 10.521 -0.617 1.00 0.00 C ATOM 441 CD LYS A 50 -0.345 9.675 0.171 1.00 0.00 C ATOM 442 CE LYS A 50 -1.755 10.287 0.211 1.00 0.00 C ATOM 443 NZ LYS A 50 -1.828 11.515 1.052 1.00 0.00 N ATOM 0 H LYS A 50 4.053 8.649 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 50 2.604 10.621 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.830 8.751 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.408 9.715 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.788 11.496 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.299 10.699 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.401 8.681 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.017 9.548 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.070 10.528 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.457 9.547 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.800 11.885 1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.555 11.284 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.180 12.235 0.672 1.00 0.00 H new ATOM 457 N GLU A 51 4.413 11.860 -0.151 1.00 0.00 N ATOM 458 CA GLU A 51 5.007 13.088 0.390 1.00 0.00 C ATOM 459 C GLU A 51 6.066 13.720 -0.539 1.00 0.00 C ATOM 460 O GLU A 51 6.197 14.942 -0.566 1.00 0.00 O ATOM 461 CB GLU A 51 5.633 12.754 1.744 1.00 0.00 C ATOM 462 CG GLU A 51 4.600 12.405 2.820 1.00 0.00 C ATOM 463 CD GLU A 51 5.291 11.951 4.121 1.00 0.00 C ATOM 464 OE1 GLU A 51 6.202 11.087 4.064 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.912 12.449 5.211 1.00 0.00 O ATOM 0 H GLU A 51 4.810 11.013 0.256 1.00 0.00 H new ATOM 0 HA GLU A 51 4.214 13.830 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.318 11.915 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.226 13.604 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.972 13.273 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.944 11.614 2.457 1.00 0.00 H new ATOM 472 N VAL A 52 6.797 12.925 -1.332 1.00 0.00 N ATOM 473 CA VAL A 52 7.787 13.416 -2.311 1.00 0.00 C ATOM 474 C VAL A 52 7.114 14.003 -3.553 1.00 0.00 C ATOM 475 O VAL A 52 7.485 15.099 -3.962 1.00 0.00 O ATOM 476 CB VAL A 52 8.817 12.321 -2.674 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.693 12.682 -3.885 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.783 12.083 -1.507 1.00 0.00 C ATOM 0 H VAL A 52 6.719 11.908 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 52 8.337 14.229 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 52 8.220 11.439 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.392 11.870 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.060 12.837 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.249 13.595 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.500 11.309 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.315 13.007 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.221 11.763 -0.629 1.00 0.00 H new ATOM 488 N MET A 53 6.110 13.341 -4.145 1.00 0.00 N ATOM 489 CA MET A 53 5.432 13.808 -5.379 1.00 0.00 C ATOM 490 C MET A 53 4.728 15.142 -5.204 1.00 0.00 C ATOM 491 O MET A 53 4.600 15.914 -6.151 1.00 0.00 O ATOM 492 CB MET A 53 4.366 12.813 -5.858 1.00 0.00 C ATOM 493 CG MET A 53 4.950 11.462 -6.175 1.00 0.00 C ATOM 494 SD MET A 53 6.347 11.567 -7.290 1.00 0.00 S ATOM 495 CE MET A 53 7.603 10.848 -6.255 1.00 0.00 C ATOM 0 H MET A 53 5.738 12.462 -3.786 1.00 0.00 H new ATOM 0 HA MET A 53 6.237 13.905 -6.108 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.601 12.705 -5.089 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.873 13.211 -6.745 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.263 10.978 -5.250 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.180 10.832 -6.620 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.588 11.127 -6.630 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.486 11.213 -5.235 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.506 9.762 -6.265 1.00 0.00 H new ATOM 505 N HIS A 54 4.335 15.416 -3.969 1.00 0.00 N ATOM 506 CA HIS A 54 3.820 16.734 -3.564 1.00 0.00 C ATOM 507 C HIS A 54 4.785 17.864 -3.986 1.00 0.00 C ATOM 508 O HIS A 54 4.385 18.795 -4.687 1.00 0.00 O ATOM 509 CB HIS A 54 3.559 16.748 -2.051 1.00 0.00 C ATOM 510 CG HIS A 54 3.017 18.068 -1.557 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.697 18.509 -1.694 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.745 19.037 -0.931 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.661 19.735 -1.140 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.876 20.075 -0.675 1.00 0.00 N ATOM 0 H HIS A 54 4.361 14.735 -3.210 1.00 0.00 H new ATOM 0 HA HIS A 54 2.876 16.916 -4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.853 15.956 -1.803 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.487 16.523 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.796 18.998 -0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.781 20.358 -1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.114 20.952 -0.212 1.00 0.00 H new ATOM 522 N TYR A 55 6.067 17.758 -3.615 1.00 0.00 N ATOM 523 CA TYR A 55 7.158 18.625 -4.090 1.00 0.00 C ATOM 524 C TYR A 55 7.627 18.343 -5.532 1.00 0.00 C ATOM 525 O TYR A 55 7.970 19.274 -6.256 1.00 0.00 O ATOM 526 CB TYR A 55 8.328 18.533 -3.099 1.00 0.00 C ATOM 527 CG TYR A 55 7.941 18.844 -1.662 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.580 20.157 -1.300 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.903 17.816 -0.699 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.186 20.442 0.023 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.519 18.098 0.626 1.00 0.00 C ATOM 532 CZ TYR A 55 7.160 19.415 0.992 1.00 0.00 C ATOM 533 OH TYR A 55 6.778 19.702 2.268 1.00 0.00 O ATOM 0 H TYR A 55 6.385 17.047 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 55 6.762 19.640 -4.130 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.751 17.529 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.112 19.223 -3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.605 20.946 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.170 16.807 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.903 21.448 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.499 17.308 1.362 1.00 0.00 H new ATOM 0 HH TYR A 55 6.813 18.887 2.811 1.00 0.00 H new ATOM 543 N LEU A 56 7.668 17.080 -5.973 1.00 0.00 N ATOM 544 CA LEU A 56 8.267 16.691 -7.263 1.00 0.00 C ATOM 545 C LEU A 56 7.383 17.055 -8.467 1.00 0.00 C ATOM 546 O LEU A 56 7.878 17.594 -9.453 1.00 0.00 O ATOM 547 CB LEU A 56 8.627 15.186 -7.246 1.00 0.00 C ATOM 548 CG LEU A 56 10.024 14.819 -7.786 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.249 15.266 -9.229 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.139 15.388 -6.912 1.00 0.00 C ATOM 0 H LEU A 56 7.287 16.294 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 56 9.183 17.268 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.550 14.826 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.881 14.648 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 56 10.058 13.730 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.251 14.977 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.512 14.791 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.146 16.349 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.107 15.106 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.059 16.475 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.048 14.990 -5.901 1.00 0.00 H new ATOM 562 N GLY A 57 6.068 16.850 -8.367 1.00 0.00 N ATOM 563 CA GLY A 57 5.095 17.316 -9.361 1.00 0.00 C ATOM 564 C GLY A 57 5.055 18.844 -9.445 1.00 0.00 C ATOM 565 O GLY A 57 4.984 19.400 -10.536 1.00 0.00 O ATOM 0 H GLY A 57 5.643 16.351 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.348 16.905 -10.338 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.105 16.940 -9.104 1.00 0.00 H new ATOM 569 N GLN A 58 5.221 19.534 -8.310 1.00 0.00 N ATOM 570 CA GLN A 58 5.392 20.992 -8.235 1.00 0.00 C ATOM 571 C GLN A 58 6.696 21.455 -8.919 1.00 0.00 C ATOM 572 O GLN A 58 6.676 22.404 -9.710 1.00 0.00 O ATOM 573 CB GLN A 58 5.309 21.391 -6.747 1.00 0.00 C ATOM 574 CG GLN A 58 5.672 22.839 -6.393 1.00 0.00 C ATOM 575 CD GLN A 58 4.687 23.860 -6.962 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.786 24.342 -6.288 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.805 24.221 -8.224 1.00 0.00 N ATOM 0 H GLN A 58 5.241 19.084 -7.395 1.00 0.00 H new ATOM 0 HA GLN A 58 4.601 21.500 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.292 21.203 -6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.965 20.729 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.709 22.943 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.671 23.059 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.550 23.829 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.151 24.893 -8.626 1.00 0.00 H new ATOM 586 N TYR A 59 7.816 20.767 -8.682 1.00 0.00 N ATOM 587 CA TYR A 59 9.091 21.041 -9.345 1.00 0.00 C ATOM 588 C TYR A 59 8.951 20.871 -10.860 1.00 0.00 C ATOM 589 O TYR A 59 9.280 21.778 -11.616 1.00 0.00 O ATOM 590 CB TYR A 59 10.171 20.111 -8.772 1.00 0.00 C ATOM 591 CG TYR A 59 11.486 20.155 -9.522 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.679 19.294 -10.618 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.497 21.056 -9.147 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.868 19.339 -11.366 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.699 21.097 -9.881 1.00 0.00 C ATOM 596 CZ TYR A 59 13.892 20.241 -10.990 1.00 0.00 C ATOM 597 OH TYR A 59 15.068 20.314 -11.666 1.00 0.00 O ATOM 0 H TYR A 59 7.862 19.995 -8.016 1.00 0.00 H new ATOM 0 HA TYR A 59 9.388 22.073 -9.158 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.350 20.378 -7.730 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.795 19.088 -8.779 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.905 18.591 -10.887 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.354 21.713 -8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.999 18.691 -12.220 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.479 21.787 -9.595 1.00 0.00 H new ATOM 0 HH TYR A 59 14.979 19.857 -12.528 1.00 0.00 H new ATOM 607 N ILE A 60 8.368 19.756 -11.308 1.00 0.00 N ATOM 608 CA ILE A 60 8.112 19.473 -12.727 1.00 0.00 C ATOM 609 C ILE A 60 7.135 20.498 -13.333 1.00 0.00 C ATOM 610 O ILE A 60 7.343 20.921 -14.466 1.00 0.00 O ATOM 611 CB ILE A 60 7.668 17.996 -12.868 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.902 17.082 -12.649 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.002 17.708 -14.227 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.592 15.578 -12.635 1.00 0.00 C ATOM 0 H ILE A 60 8.055 19.011 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 60 9.023 19.590 -13.314 1.00 0.00 H new ATOM 0 HB ILE A 60 6.911 17.789 -12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.629 17.282 -13.436 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.373 17.351 -11.704 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.710 16.659 -14.274 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.118 18.336 -14.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.706 17.925 -15.030 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.514 15.018 -12.476 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.891 15.359 -11.830 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.151 15.288 -13.589 1.00 0.00 H new ATOM 626 N MET A 61 6.144 20.985 -12.581 1.00 0.00 N ATOM 627 CA MET A 61 5.240 22.068 -12.996 1.00 0.00 C ATOM 628 C MET A 61 5.972 23.413 -13.172 1.00 0.00 C ATOM 629 O MET A 61 5.645 24.162 -14.090 1.00 0.00 O ATOM 630 CB MET A 61 4.089 22.166 -11.975 1.00 0.00 C ATOM 631 CG MET A 61 3.028 23.249 -12.212 1.00 0.00 C ATOM 632 SD MET A 61 1.818 22.922 -13.526 1.00 0.00 S ATOM 633 CE MET A 61 2.659 23.656 -14.950 1.00 0.00 C ATOM 0 H MET A 61 5.941 20.631 -11.646 1.00 0.00 H new ATOM 0 HA MET A 61 4.834 21.832 -13.979 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.584 21.201 -11.942 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.525 22.331 -10.990 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.486 23.405 -11.280 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.540 24.183 -12.444 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.927 23.893 -15.722 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.169 24.569 -14.641 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.388 22.949 -15.346 1.00 0.00 H new ATOM 643 N VAL A 62 6.985 23.732 -12.351 1.00 0.00 N ATOM 644 CA VAL A 62 7.795 24.955 -12.532 1.00 0.00 C ATOM 645 C VAL A 62 8.834 24.803 -13.642 1.00 0.00 C ATOM 646 O VAL A 62 8.940 25.658 -14.521 1.00 0.00 O ATOM 647 CB VAL A 62 8.430 25.409 -11.214 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.279 26.671 -11.362 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.345 25.736 -10.190 1.00 0.00 C ATOM 0 H VAL A 62 7.266 23.162 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 62 7.113 25.742 -12.852 1.00 0.00 H new ATOM 0 HB VAL A 62 9.064 24.582 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.701 26.941 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.086 26.486 -12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.656 27.488 -11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.810 26.057 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.711 26.535 -10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.739 24.849 -10.006 1.00 0.00 H new ATOM 659 N LYS A 63 9.583 23.696 -13.633 1.00 0.00 N ATOM 660 CA LYS A 63 10.708 23.439 -14.555 1.00 0.00 C ATOM 661 C LYS A 63 10.243 22.939 -15.928 1.00 0.00 C ATOM 662 O LYS A 63 11.014 22.948 -16.886 1.00 0.00 O ATOM 663 CB LYS A 63 11.730 22.478 -13.907 1.00 0.00 C ATOM 664 CG LYS A 63 12.363 22.934 -12.574 1.00 0.00 C ATOM 665 CD LYS A 63 12.653 24.439 -12.482 1.00 0.00 C ATOM 666 CE LYS A 63 13.576 24.789 -11.302 1.00 0.00 C ATOM 667 NZ LYS A 63 15.007 24.475 -11.591 1.00 0.00 N ATOM 0 H LYS A 63 9.426 22.934 -12.973 1.00 0.00 H new ATOM 0 HA LYS A 63 11.205 24.392 -14.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.238 21.520 -13.740 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.533 22.303 -14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.697 22.656 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.295 22.389 -12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.113 24.775 -13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.713 24.981 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.479 25.849 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.257 24.238 -10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.591 24.727 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.107 23.459 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.322 25.020 -12.419 1.00 0.00 H new ATOM 681 N GLN A 64 8.971 22.545 -16.015 1.00 0.00 N ATOM 682 CA GLN A 64 8.253 22.087 -17.201 1.00 0.00 C ATOM 683 C GLN A 64 8.985 20.959 -17.966 1.00 0.00 C ATOM 684 O GLN A 64 9.405 21.129 -19.113 1.00 0.00 O ATOM 685 CB GLN A 64 7.809 23.284 -18.066 1.00 0.00 C ATOM 686 CG GLN A 64 6.567 23.961 -17.464 1.00 0.00 C ATOM 687 CD GLN A 64 6.568 25.471 -17.658 1.00 0.00 C ATOM 688 OE1 GLN A 64 5.950 26.024 -18.560 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.270 26.192 -16.811 1.00 0.00 N ATOM 0 H GLN A 64 8.370 22.538 -15.191 1.00 0.00 H new ATOM 0 HA GLN A 64 7.336 21.598 -16.872 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.622 24.006 -18.141 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.589 22.945 -19.079 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.672 23.541 -17.922 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.516 23.736 -16.399 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.786 25.736 -16.059 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.298 27.207 -16.907 1.00 0.00 H new ATOM 698 N LEU A 65 9.149 19.793 -17.317 1.00 0.00 N ATOM 699 CA LEU A 65 9.800 18.609 -17.911 1.00 0.00 C ATOM 700 C LEU A 65 8.820 17.728 -18.707 1.00 0.00 C ATOM 701 O LEU A 65 9.240 16.816 -19.418 1.00 0.00 O ATOM 702 CB LEU A 65 10.520 17.787 -16.832 1.00 0.00 C ATOM 703 CG LEU A 65 11.629 18.526 -16.064 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.376 17.503 -15.220 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.652 19.229 -16.959 1.00 0.00 C ATOM 0 H LEU A 65 8.832 19.643 -16.359 1.00 0.00 H new ATOM 0 HA LEU A 65 10.537 18.979 -18.623 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.779 17.434 -16.115 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.954 16.905 -17.302 1.00 0.00 H new ATOM 0 HG LEU A 65 11.140 19.300 -15.473 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.170 18.001 -14.663 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.684 17.032 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.810 16.743 -15.869 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.398 19.725 -16.338 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.142 18.494 -17.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.146 19.969 -17.579 1.00 0.00 H new ATOM 717 N TYR A 66 7.515 17.982 -18.582 1.00 0.00 N ATOM 718 CA TYR A 66 6.470 17.304 -19.344 1.00 0.00 C ATOM 719 C TYR A 66 6.252 17.961 -20.714 1.00 0.00 C ATOM 720 O TYR A 66 6.509 19.157 -20.889 1.00 0.00 O ATOM 721 CB TYR A 66 5.169 17.247 -18.523 1.00 0.00 C ATOM 722 CG TYR A 66 4.518 18.606 -18.320 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.914 19.435 -17.249 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.563 19.069 -19.247 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.390 20.736 -17.133 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.031 20.367 -19.130 1.00 0.00 C ATOM 727 CZ TYR A 66 3.454 21.210 -18.079 1.00 0.00 C ATOM 728 OH TYR A 66 2.972 22.479 -17.980 1.00 0.00 O ATOM 0 H TYR A 66 7.150 18.680 -17.934 1.00 0.00 H new ATOM 0 HA TYR A 66 6.795 16.282 -19.538 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.462 16.586 -19.024 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.383 16.807 -17.549 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.620 19.071 -16.517 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.238 18.425 -20.051 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.704 21.373 -16.319 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.300 20.718 -19.843 1.00 0.00 H new ATOM 0 HH TYR A 66 2.339 22.646 -18.709 1.00 0.00 H new ATOM 738 N ASP A 67 5.749 17.195 -21.686 1.00 0.00 N ATOM 739 CA ASP A 67 5.284 17.758 -22.957 1.00 0.00 C ATOM 740 C ASP A 67 3.805 18.153 -22.826 1.00 0.00 C ATOM 741 O ASP A 67 2.987 17.331 -22.411 1.00 0.00 O ATOM 742 CB ASP A 67 5.514 16.776 -24.116 1.00 0.00 C ATOM 743 CG ASP A 67 5.308 17.443 -25.488 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.261 18.100 -25.708 1.00 0.00 O ATOM 745 OD2 ASP A 67 6.195 17.325 -26.363 1.00 0.00 O ATOM 0 H ASP A 67 5.653 16.182 -21.617 1.00 0.00 H new ATOM 0 HA ASP A 67 5.863 18.652 -23.188 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.526 16.376 -24.056 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.831 15.932 -24.017 1.00 0.00 H new ATOM 750 N GLN A 68 3.434 19.386 -23.197 1.00 0.00 N ATOM 751 CA GLN A 68 2.041 19.852 -23.125 1.00 0.00 C ATOM 752 C GLN A 68 1.042 18.949 -23.873 1.00 0.00 C ATOM 753 O GLN A 68 -0.115 18.850 -23.457 1.00 0.00 O ATOM 754 CB GLN A 68 1.927 21.305 -23.627 1.00 0.00 C ATOM 755 CG GLN A 68 2.144 21.538 -25.140 1.00 0.00 C ATOM 756 CD GLN A 68 3.596 21.860 -25.505 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.009 23.013 -25.517 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.442 20.894 -25.802 1.00 0.00 N ATOM 0 H GLN A 68 4.086 20.085 -23.553 1.00 0.00 H new ATOM 0 HA GLN A 68 1.766 19.804 -22.071 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.937 21.679 -23.364 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.652 21.911 -23.082 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.829 20.649 -25.686 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.504 22.357 -25.469 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.129 19.923 -25.801 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.410 21.117 -26.033 1.00 0.00 H new ATOM 767 N GLN A 69 1.478 18.294 -24.958 1.00 0.00 N ATOM 768 CA GLN A 69 0.628 17.535 -25.867 1.00 0.00 C ATOM 769 C GLN A 69 0.560 16.032 -25.506 1.00 0.00 C ATOM 770 O GLN A 69 -0.343 15.318 -25.943 1.00 0.00 O ATOM 771 CB GLN A 69 1.097 17.827 -27.301 1.00 0.00 C ATOM 772 CG GLN A 69 2.145 16.855 -27.852 1.00 0.00 C ATOM 773 CD GLN A 69 3.004 17.496 -28.938 1.00 0.00 C ATOM 774 OE1 GLN A 69 2.685 17.481 -30.122 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.113 18.101 -28.574 1.00 0.00 N ATOM 0 H GLN A 69 2.461 18.281 -25.229 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.410 17.855 -25.773 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.229 17.814 -27.960 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.507 18.836 -27.334 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.785 16.512 -27.039 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.646 15.975 -28.257 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.386 18.118 -27.591 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.701 18.553 -29.274 1.00 0.00 H new ATOM 784 N GLU A 70 1.520 15.562 -24.698 1.00 0.00 N ATOM 785 CA GLU A 70 1.716 14.179 -24.240 1.00 0.00 C ATOM 786 C GLU A 70 2.158 14.179 -22.763 1.00 0.00 C ATOM 787 O GLU A 70 3.270 13.779 -22.420 1.00 0.00 O ATOM 788 CB GLU A 70 2.734 13.452 -25.145 1.00 0.00 C ATOM 789 CG GLU A 70 2.173 13.150 -26.537 1.00 0.00 C ATOM 790 CD GLU A 70 3.078 12.167 -27.302 1.00 0.00 C ATOM 791 OE1 GLU A 70 4.024 12.614 -27.996 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.839 10.936 -27.229 1.00 0.00 O ATOM 0 H GLU A 70 2.233 16.185 -24.319 1.00 0.00 H new ATOM 0 HA GLU A 70 0.774 13.634 -24.310 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.630 14.065 -25.243 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.037 12.519 -24.669 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.172 12.730 -26.445 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.079 14.077 -27.103 1.00 0.00 H new ATOM 799 N GLN A 71 1.278 14.660 -21.873 1.00 0.00 N ATOM 800 CA GLN A 71 1.590 14.910 -20.452 1.00 0.00 C ATOM 801 C GLN A 71 1.969 13.646 -19.658 1.00 0.00 C ATOM 802 O GLN A 71 2.608 13.748 -18.608 1.00 0.00 O ATOM 803 CB GLN A 71 0.399 15.627 -19.793 1.00 0.00 C ATOM 804 CG GLN A 71 0.356 17.098 -20.228 1.00 0.00 C ATOM 805 CD GLN A 71 -0.964 17.803 -19.924 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.598 17.614 -18.893 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.422 18.661 -20.814 1.00 0.00 N ATOM 0 H GLN A 71 0.316 14.891 -22.120 1.00 0.00 H new ATOM 0 HA GLN A 71 2.479 15.540 -20.430 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.531 15.131 -20.070 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.483 15.564 -18.708 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.164 17.635 -19.732 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.546 17.154 -21.300 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.903 18.827 -21.676 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.295 19.159 -20.640 1.00 0.00 H new ATOM 816 N HIS A 72 1.633 12.456 -20.177 1.00 0.00 N ATOM 817 CA HIS A 72 2.112 11.175 -19.648 1.00 0.00 C ATOM 818 C HIS A 72 3.645 11.041 -19.709 1.00 0.00 C ATOM 819 O HIS A 72 4.232 10.427 -18.818 1.00 0.00 O ATOM 820 CB HIS A 72 1.424 10.015 -20.393 1.00 0.00 C ATOM 821 CG HIS A 72 1.613 10.023 -21.895 1.00 0.00 C ATOM 822 ND1 HIS A 72 2.778 9.653 -22.575 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.679 10.413 -22.811 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.523 9.840 -23.880 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.267 10.286 -24.051 1.00 0.00 N ATOM 0 H HIS A 72 1.016 12.357 -20.983 1.00 0.00 H new ATOM 0 HA HIS A 72 1.846 11.135 -18.592 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.804 9.073 -19.998 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.356 10.045 -20.175 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.325 10.754 -22.604 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.227 9.658 -24.678 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.824 10.495 -24.946 1.00 0.00 H new ATOM 833 N MET A 73 4.299 11.642 -20.710 1.00 0.00 N ATOM 834 CA MET A 73 5.751 11.622 -20.881 1.00 0.00 C ATOM 835 C MET A 73 6.432 12.787 -20.152 1.00 0.00 C ATOM 836 O MET A 73 6.011 13.944 -20.238 1.00 0.00 O ATOM 837 CB MET A 73 6.129 11.540 -22.371 1.00 0.00 C ATOM 838 CG MET A 73 7.636 11.741 -22.608 1.00 0.00 C ATOM 839 SD MET A 73 8.306 10.992 -24.116 1.00 0.00 S ATOM 840 CE MET A 73 9.049 9.498 -23.395 1.00 0.00 C ATOM 0 H MET A 73 3.818 12.168 -21.440 1.00 0.00 H new ATOM 0 HA MET A 73 6.133 10.717 -20.409 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.829 10.570 -22.766 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.573 12.296 -22.926 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.840 12.811 -22.635 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.176 11.335 -21.753 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.514 8.906 -24.183 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.804 9.784 -22.663 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.275 8.906 -22.906 1.00 0.00 H new ATOM 850 N VAL A 74 7.542 12.464 -19.485 1.00 0.00 N ATOM 851 CA VAL A 74 8.457 13.404 -18.834 1.00 0.00 C ATOM 852 C VAL A 74 9.850 13.209 -19.431 1.00 0.00 C ATOM 853 O VAL A 74 10.370 12.091 -19.464 1.00 0.00 O ATOM 854 CB VAL A 74 8.497 13.203 -17.306 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.120 14.424 -16.622 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.112 12.988 -16.680 1.00 0.00 C ATOM 0 H VAL A 74 7.841 11.495 -19.379 1.00 0.00 H new ATOM 0 HA VAL A 74 8.104 14.420 -19.010 1.00 0.00 H new ATOM 0 HB VAL A 74 9.093 12.304 -17.150 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.141 14.266 -15.544 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.137 14.566 -16.987 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.526 15.310 -16.847 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.216 12.854 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.484 13.857 -16.878 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.651 12.101 -17.113 1.00 0.00 H new ATOM 866 N TYR A 75 10.458 14.293 -19.912 1.00 0.00 N ATOM 867 CA TYR A 75 11.800 14.300 -20.482 1.00 0.00 C ATOM 868 C TYR A 75 12.780 14.956 -19.503 1.00 0.00 C ATOM 869 O TYR A 75 12.839 16.182 -19.387 1.00 0.00 O ATOM 870 CB TYR A 75 11.769 14.981 -21.856 1.00 0.00 C ATOM 871 CG TYR A 75 13.089 14.871 -22.592 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.376 13.709 -23.333 1.00 0.00 C ATOM 873 CD2 TYR A 75 14.037 15.908 -22.509 1.00 0.00 C ATOM 874 CE1 TYR A 75 14.610 13.586 -24.001 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.274 15.790 -23.176 1.00 0.00 C ATOM 876 CZ TYR A 75 15.562 14.628 -23.927 1.00 0.00 C ATOM 877 OH TYR A 75 16.750 14.502 -24.582 1.00 0.00 O ATOM 0 H TYR A 75 10.017 15.213 -19.915 1.00 0.00 H new ATOM 0 HA TYR A 75 12.154 13.281 -20.639 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.981 14.533 -22.462 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.514 16.033 -21.730 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.650 12.912 -23.389 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.817 16.795 -21.934 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.829 12.695 -24.570 1.00 0.00 H new ATOM 0 HE2 TYR A 75 16.000 16.587 -23.113 1.00 0.00 H new ATOM 0 HH TYR A 75 17.293 15.304 -24.432 1.00 0.00 H new ATOM 887 N CYS A 76 13.551 14.132 -18.788 1.00 0.00 N ATOM 888 CA CYS A 76 14.529 14.590 -17.795 1.00 0.00 C ATOM 889 C CYS A 76 15.976 14.571 -18.323 1.00 0.00 C ATOM 890 O CYS A 76 16.907 14.772 -17.548 1.00 0.00 O ATOM 891 CB CYS A 76 14.383 13.819 -16.473 1.00 0.00 C ATOM 892 SG CYS A 76 12.654 13.682 -15.930 1.00 0.00 S ATOM 0 H CYS A 76 13.514 13.117 -18.883 1.00 0.00 H new ATOM 0 HA CYS A 76 14.304 15.637 -17.593 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.803 12.820 -16.591 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.964 14.320 -15.699 1.00 0.00 H new ATOM 0 HG CYS A 76 12.601 13.020 -14.812 1.00 0.00 H new ATOM 898 N GLY A 77 16.200 14.348 -19.624 1.00 0.00 N ATOM 899 CA GLY A 77 17.543 14.353 -20.231 1.00 0.00 C ATOM 900 C GLY A 77 18.297 15.688 -20.083 1.00 0.00 C ATOM 901 O GLY A 77 19.526 15.695 -19.999 1.00 0.00 O ATOM 0 H GLY A 77 15.452 14.158 -20.291 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.138 13.560 -19.777 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.451 14.116 -21.291 1.00 0.00 H new ATOM 905 N GLY A 78 17.563 16.805 -19.985 1.00 0.00 N ATOM 906 CA GLY A 78 18.084 18.147 -19.672 1.00 0.00 C ATOM 907 C GLY A 78 18.033 18.536 -18.182 1.00 0.00 C ATOM 908 O GLY A 78 18.291 19.693 -17.844 1.00 0.00 O ATOM 0 H GLY A 78 16.553 16.801 -20.126 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.118 18.207 -20.012 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.517 18.882 -20.243 1.00 0.00 H new ATOM 912 N ASP A 79 17.671 17.606 -17.293 1.00 0.00 N ATOM 913 CA ASP A 79 17.499 17.810 -15.846 1.00 0.00 C ATOM 914 C ASP A 79 18.651 17.193 -15.027 1.00 0.00 C ATOM 915 O ASP A 79 19.402 16.349 -15.523 1.00 0.00 O ATOM 916 CB ASP A 79 16.150 17.199 -15.431 1.00 0.00 C ATOM 917 CG ASP A 79 15.815 17.443 -13.955 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.544 18.610 -13.592 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.904 16.477 -13.164 1.00 0.00 O ATOM 0 H ASP A 79 17.480 16.644 -17.573 1.00 0.00 H new ATOM 0 HA ASP A 79 17.514 18.880 -15.637 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.359 17.620 -16.052 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.168 16.126 -15.622 1.00 0.00 H new ATOM 924 N LEU A 80 18.725 17.549 -13.738 1.00 0.00 N ATOM 925 CA LEU A 80 19.587 16.944 -12.722 1.00 0.00 C ATOM 926 C LEU A 80 19.532 15.409 -12.771 1.00 0.00 C ATOM 927 O LEU A 80 20.578 14.760 -12.757 1.00 0.00 O ATOM 928 CB LEU A 80 19.060 17.467 -11.370 1.00 0.00 C ATOM 929 CG LEU A 80 19.977 17.387 -10.139 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.275 15.965 -9.667 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.304 18.119 -10.338 1.00 0.00 C ATOM 0 H LEU A 80 18.155 18.305 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 80 20.631 17.210 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.780 18.512 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.146 16.920 -11.138 1.00 0.00 H new ATOM 0 HG LEU A 80 19.395 17.885 -9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.928 16.000 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.343 15.467 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.767 15.412 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.909 18.028 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.839 17.680 -11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.112 19.173 -10.541 1.00 0.00 H new ATOM 943 N LEU A 81 18.333 14.830 -12.918 1.00 0.00 N ATOM 944 CA LEU A 81 18.154 13.377 -13.063 1.00 0.00 C ATOM 945 C LEU A 81 18.880 12.815 -14.303 1.00 0.00 C ATOM 946 O LEU A 81 19.487 11.747 -14.239 1.00 0.00 O ATOM 947 CB LEU A 81 16.652 13.038 -13.130 1.00 0.00 C ATOM 948 CG LEU A 81 15.843 13.262 -11.844 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.376 12.908 -12.091 1.00 0.00 C ATOM 950 CD2 LEU A 81 16.346 12.409 -10.673 1.00 0.00 C ATOM 0 H LEU A 81 17.459 15.355 -12.940 1.00 0.00 H new ATOM 0 HA LEU A 81 18.601 12.905 -12.188 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.203 13.634 -13.924 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.550 11.992 -13.420 1.00 0.00 H new ATOM 0 HG LEU A 81 15.961 14.313 -11.579 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.804 13.068 -11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.977 13.541 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.299 11.862 -12.389 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.738 12.608 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.273 11.353 -10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.386 12.659 -10.461 1.00 0.00 H new ATOM 962 N GLY A 82 18.850 13.535 -15.425 1.00 0.00 N ATOM 963 CA GLY A 82 19.576 13.196 -16.648 1.00 0.00 C ATOM 964 C GLY A 82 21.095 13.352 -16.528 1.00 0.00 C ATOM 965 O GLY A 82 21.816 12.488 -17.018 1.00 0.00 O ATOM 0 H GLY A 82 18.305 14.393 -15.510 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.346 12.166 -16.922 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.218 13.830 -17.460 1.00 0.00 H new ATOM 969 N GLU A 83 21.613 14.369 -15.828 1.00 0.00 N ATOM 970 CA GLU A 83 23.065 14.481 -15.575 1.00 0.00 C ATOM 971 C GLU A 83 23.563 13.310 -14.720 1.00 0.00 C ATOM 972 O GLU A 83 24.608 12.709 -14.979 1.00 0.00 O ATOM 973 CB GLU A 83 23.405 15.769 -14.811 1.00 0.00 C ATOM 974 CG GLU A 83 22.610 16.979 -15.261 1.00 0.00 C ATOM 975 CD GLU A 83 23.277 18.297 -14.827 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.016 18.783 -13.699 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.074 18.864 -15.615 1.00 0.00 O ATOM 0 H GLU A 83 21.057 15.124 -15.427 1.00 0.00 H new ATOM 0 HA GLU A 83 23.547 14.482 -16.553 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.229 15.606 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.468 15.980 -14.930 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.508 16.964 -16.346 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.604 16.927 -14.846 1.00 0.00 H new ATOM 984 N LEU A 84 22.761 12.991 -13.702 1.00 0.00 N ATOM 985 CA LEU A 84 22.982 11.920 -12.737 1.00 0.00 C ATOM 986 C LEU A 84 23.017 10.519 -13.392 1.00 0.00 C ATOM 987 O LEU A 84 23.937 9.743 -13.124 1.00 0.00 O ATOM 988 CB LEU A 84 21.873 12.076 -11.678 1.00 0.00 C ATOM 989 CG LEU A 84 21.702 10.902 -10.716 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.926 10.699 -9.824 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.475 11.139 -9.836 1.00 0.00 C ATOM 0 H LEU A 84 21.896 13.501 -13.522 1.00 0.00 H new ATOM 0 HA LEU A 84 23.966 12.001 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.078 12.973 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.926 12.241 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 84 21.577 10.002 -11.319 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.755 9.853 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.800 10.501 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.098 11.598 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.352 10.301 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.608 12.059 -9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.588 11.226 -10.464 1.00 0.00 H new ATOM 1003 N LEU A 85 22.030 10.190 -14.237 1.00 0.00 N ATOM 1004 CA LEU A 85 21.816 8.841 -14.794 1.00 0.00 C ATOM 1005 C LEU A 85 22.235 8.712 -16.279 1.00 0.00 C ATOM 1006 O LEU A 85 22.158 7.630 -16.861 1.00 0.00 O ATOM 1007 CB LEU A 85 20.325 8.489 -14.558 1.00 0.00 C ATOM 1008 CG LEU A 85 19.960 7.069 -14.075 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.387 5.942 -15.007 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.536 6.790 -12.687 1.00 0.00 C ATOM 0 H LEU A 85 21.341 10.868 -14.562 1.00 0.00 H new ATOM 0 HA LEU A 85 22.463 8.126 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.931 9.196 -13.828 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.793 8.666 -15.493 1.00 0.00 H new ATOM 0 HG LEU A 85 18.870 7.072 -14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.087 4.984 -14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.910 6.073 -15.978 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.470 5.961 -15.129 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.262 5.782 -12.375 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.622 6.877 -12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 85 20.136 7.512 -11.975 1.00 0.00 H new ATOM 1022 N GLY A 86 22.602 9.811 -16.946 1.00 0.00 N ATOM 1023 CA GLY A 86 22.824 9.895 -18.400 1.00 0.00 C ATOM 1024 C GLY A 86 21.522 9.994 -19.217 1.00 0.00 C ATOM 1025 O GLY A 86 21.494 10.624 -20.277 1.00 0.00 O ATOM 0 H GLY A 86 22.759 10.701 -16.474 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.445 10.765 -18.615 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.382 9.017 -18.725 1.00 0.00 H new ATOM 1029 N ARG A 87 20.437 9.399 -18.699 1.00 0.00 N ATOM 1030 CA ARG A 87 19.062 9.398 -19.232 1.00 0.00 C ATOM 1031 C ARG A 87 18.052 9.145 -18.106 1.00 0.00 C ATOM 1032 O ARG A 87 18.231 8.224 -17.318 1.00 0.00 O ATOM 1033 CB ARG A 87 18.922 8.358 -20.375 1.00 0.00 C ATOM 1034 CG ARG A 87 18.925 6.858 -20.000 1.00 0.00 C ATOM 1035 CD ARG A 87 20.105 6.441 -19.112 1.00 0.00 C ATOM 1036 NE ARG A 87 20.194 4.980 -18.937 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.201 4.316 -18.393 1.00 0.00 C ATOM 1038 NH1 ARG A 87 22.207 4.919 -17.823 1.00 0.00 N ATOM 1039 NH2 ARG A 87 21.212 3.014 -18.409 1.00 0.00 N ATOM 0 H ARG A 87 20.500 8.866 -17.832 1.00 0.00 H new ATOM 0 HA ARG A 87 18.846 10.379 -19.654 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.992 8.567 -20.904 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.735 8.527 -21.081 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.994 6.620 -19.485 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.944 6.265 -20.914 1.00 0.00 H new ATOM 0 HD2 ARG A 87 21.033 6.808 -19.551 1.00 0.00 H new ATOM 0 HD3 ARG A 87 20.005 6.915 -18.135 1.00 0.00 H new ATOM 0 HE ARG A 87 19.403 4.427 -19.267 1.00 0.00 H new ATOM 0 HH11 ARG A 87 22.236 5.938 -17.785 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.965 4.372 -17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.443 2.503 -18.842 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.990 2.505 -17.989 1.00 0.00 H new ATOM 1053 N GLN A 88 16.995 9.943 -18.017 1.00 0.00 N ATOM 1054 CA GLN A 88 15.917 9.764 -17.025 1.00 0.00 C ATOM 1055 C GLN A 88 14.557 10.150 -17.634 1.00 0.00 C ATOM 1056 O GLN A 88 13.690 10.718 -16.977 1.00 0.00 O ATOM 1057 CB GLN A 88 16.296 10.491 -15.710 1.00 0.00 C ATOM 1058 CG GLN A 88 16.776 9.539 -14.590 1.00 0.00 C ATOM 1059 CD GLN A 88 15.669 9.013 -13.666 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.479 9.198 -13.875 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.011 8.349 -12.578 1.00 0.00 N ATOM 0 H GLN A 88 16.851 10.743 -18.633 1.00 0.00 H new ATOM 0 HA GLN A 88 15.803 8.715 -16.752 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.082 11.216 -15.920 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.432 11.051 -15.353 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.280 8.688 -15.048 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.517 10.060 -13.984 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.995 8.177 -12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.291 8.008 -11.941 1.00 0.00 H new ATOM 1070 N SER A 89 14.385 9.870 -18.930 1.00 0.00 N ATOM 1071 CA SER A 89 13.141 10.165 -19.666 1.00 0.00 C ATOM 1072 C SER A 89 12.261 8.919 -19.786 1.00 0.00 C ATOM 1073 O SER A 89 12.756 7.810 -20.006 1.00 0.00 O ATOM 1074 CB SER A 89 13.418 10.792 -21.027 1.00 0.00 C ATOM 1075 OG SER A 89 14.281 11.909 -20.853 1.00 0.00 O ATOM 0 H SER A 89 15.104 9.431 -19.504 1.00 0.00 H new ATOM 0 HA SER A 89 12.589 10.905 -19.086 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.877 10.061 -21.692 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.485 11.106 -21.494 1.00 0.00 H new ATOM 0 HG SER A 89 14.115 12.565 -21.562 1.00 0.00 H new ATOM 1081 N PHE A 90 10.953 9.104 -19.621 1.00 0.00 N ATOM 1082 CA PHE A 90 9.966 8.025 -19.462 1.00 0.00 C ATOM 1083 C PHE A 90 8.530 8.498 -19.691 1.00 0.00 C ATOM 1084 O PHE A 90 8.265 9.685 -19.879 1.00 0.00 O ATOM 1085 CB PHE A 90 10.082 7.481 -18.018 1.00 0.00 C ATOM 1086 CG PHE A 90 9.771 8.516 -16.945 1.00 0.00 C ATOM 1087 CD1 PHE A 90 8.450 8.727 -16.503 1.00 0.00 C ATOM 1088 CD2 PHE A 90 10.807 9.307 -16.421 1.00 0.00 C ATOM 1089 CE1 PHE A 90 8.172 9.735 -15.561 1.00 0.00 C ATOM 1090 CE2 PHE A 90 10.537 10.302 -15.468 1.00 0.00 C ATOM 1091 CZ PHE A 90 9.218 10.521 -15.043 1.00 0.00 C ATOM 0 H PHE A 90 10.533 10.033 -19.593 1.00 0.00 H new ATOM 0 HA PHE A 90 10.180 7.260 -20.209 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.403 6.636 -17.902 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.092 7.102 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.649 8.114 -16.888 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.822 9.148 -16.755 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.156 9.905 -15.236 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.342 10.897 -15.063 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.005 11.293 -14.318 1.00 0.00 H new ATOM 1101 N SER A 91 7.595 7.551 -19.617 1.00 0.00 N ATOM 1102 CA SER A 91 6.160 7.812 -19.570 1.00 0.00 C ATOM 1103 C SER A 91 5.514 7.084 -18.403 1.00 0.00 C ATOM 1104 O SER A 91 5.829 5.925 -18.126 1.00 0.00 O ATOM 1105 CB SER A 91 5.490 7.356 -20.847 1.00 0.00 C ATOM 1106 OG SER A 91 4.129 7.741 -20.783 1.00 0.00 O ATOM 0 H SER A 91 7.822 6.557 -19.587 1.00 0.00 H new ATOM 0 HA SER A 91 6.031 8.887 -19.448 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.974 7.806 -21.714 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.576 6.275 -20.959 1.00 0.00 H new ATOM 0 HG SER A 91 3.946 8.413 -21.472 1.00 0.00 H new ATOM 1112 N VAL A 92 4.557 7.734 -17.747 1.00 0.00 N ATOM 1113 CA VAL A 92 3.815 7.142 -16.628 1.00 0.00 C ATOM 1114 C VAL A 92 2.818 6.054 -17.055 1.00 0.00 C ATOM 1115 O VAL A 92 2.324 5.317 -16.200 1.00 0.00 O ATOM 1116 CB VAL A 92 3.145 8.222 -15.755 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.165 9.227 -15.208 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.066 8.984 -16.528 1.00 0.00 C ATOM 0 H VAL A 92 4.271 8.687 -17.973 1.00 0.00 H new ATOM 0 HA VAL A 92 4.560 6.632 -16.017 1.00 0.00 H new ATOM 0 HB VAL A 92 2.684 7.693 -14.921 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.652 9.971 -14.598 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.901 8.703 -14.598 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.668 9.723 -16.038 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.617 9.736 -15.880 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.514 9.472 -17.393 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.297 8.287 -16.862 1.00 0.00 H new ATOM 1128 N LYS A 93 2.568 5.893 -18.367 1.00 0.00 N ATOM 1129 CA LYS A 93 1.809 4.755 -18.926 1.00 0.00 C ATOM 1130 C LYS A 93 2.627 3.451 -19.003 1.00 0.00 C ATOM 1131 O LYS A 93 2.064 2.385 -19.254 1.00 0.00 O ATOM 1132 CB LYS A 93 1.200 5.152 -20.285 1.00 0.00 C ATOM 1133 CG LYS A 93 2.185 5.038 -21.461 1.00 0.00 C ATOM 1134 CD LYS A 93 1.641 5.732 -22.716 1.00 0.00 C ATOM 1135 CE LYS A 93 2.659 5.616 -23.857 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.115 6.156 -25.134 1.00 0.00 N ATOM 0 H LYS A 93 2.889 6.553 -19.076 1.00 0.00 H new ATOM 0 HA LYS A 93 0.998 4.528 -18.234 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.335 4.519 -20.484 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.837 6.178 -20.225 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.140 5.483 -21.182 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.375 3.987 -21.678 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.695 5.278 -23.013 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.438 6.782 -22.503 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.568 6.156 -23.591 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.937 4.571 -23.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.830 6.061 -25.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.262 5.624 -25.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.873 7.160 -25.011 1.00 0.00 H new ATOM 1150 N ASP A 94 3.942 3.537 -18.784 1.00 0.00 N ATOM 1151 CA ASP A 94 4.904 2.430 -18.812 1.00 0.00 C ATOM 1152 C ASP A 94 5.653 2.358 -17.459 1.00 0.00 C ATOM 1153 O ASP A 94 6.781 2.845 -17.335 1.00 0.00 O ATOM 1154 CB ASP A 94 5.815 2.603 -20.041 1.00 0.00 C ATOM 1155 CG ASP A 94 6.637 1.344 -20.379 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.416 0.266 -19.776 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.480 1.421 -21.305 1.00 0.00 O ATOM 0 H ASP A 94 4.389 4.429 -18.571 1.00 0.00 H new ATOM 0 HA ASP A 94 4.410 1.465 -18.923 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.203 2.870 -20.903 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.496 3.435 -19.864 1.00 0.00 H new ATOM 1162 N PRO A 95 5.013 1.813 -16.401 1.00 0.00 N ATOM 1163 CA PRO A 95 5.517 1.888 -15.027 1.00 0.00 C ATOM 1164 C PRO A 95 6.774 1.049 -14.751 1.00 0.00 C ATOM 1165 O PRO A 95 7.539 1.407 -13.858 1.00 0.00 O ATOM 1166 CB PRO A 95 4.342 1.451 -14.142 1.00 0.00 C ATOM 1167 CG PRO A 95 3.530 0.532 -15.052 1.00 0.00 C ATOM 1168 CD PRO A 95 3.691 1.203 -16.414 1.00 0.00 C ATOM 0 HA PRO A 95 5.853 2.904 -14.818 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.685 0.929 -13.249 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.754 2.305 -13.806 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.917 -0.487 -15.052 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.485 0.476 -14.747 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.604 0.476 -17.221 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.916 1.952 -16.575 1.00 0.00 H new ATOM 1176 N SER A 96 7.031 -0.031 -15.497 1.00 0.00 N ATOM 1177 CA SER A 96 8.185 -0.921 -15.265 1.00 0.00 C ATOM 1178 C SER A 96 9.554 -0.227 -15.406 1.00 0.00 C ATOM 1179 O SER A 96 10.333 -0.283 -14.450 1.00 0.00 O ATOM 1180 CB SER A 96 8.125 -2.165 -16.160 1.00 0.00 C ATOM 1181 OG SER A 96 6.931 -2.897 -15.912 1.00 0.00 O ATOM 0 H SER A 96 6.446 -0.317 -16.282 1.00 0.00 H new ATOM 0 HA SER A 96 8.101 -1.225 -14.222 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.167 -1.869 -17.208 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.993 -2.798 -15.973 1.00 0.00 H new ATOM 0 HG SER A 96 6.905 -3.687 -16.491 1.00 0.00 H new ATOM 1187 N PRO A 97 9.880 0.468 -16.519 1.00 0.00 N ATOM 1188 CA PRO A 97 11.146 1.196 -16.639 1.00 0.00 C ATOM 1189 C PRO A 97 11.253 2.381 -15.664 1.00 0.00 C ATOM 1190 O PRO A 97 12.344 2.672 -15.170 1.00 0.00 O ATOM 1191 CB PRO A 97 11.223 1.658 -18.100 1.00 0.00 C ATOM 1192 CG PRO A 97 9.762 1.710 -18.543 1.00 0.00 C ATOM 1193 CD PRO A 97 9.157 0.536 -17.783 1.00 0.00 C ATOM 0 HA PRO A 97 11.983 0.550 -16.373 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.702 2.633 -18.186 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.801 0.963 -18.709 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.289 2.655 -18.277 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.659 1.594 -19.622 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.090 0.686 -17.616 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.264 -0.391 -18.346 1.00 0.00 H new ATOM 1201 N LEU A 98 10.132 3.037 -15.332 1.00 0.00 N ATOM 1202 CA LEU A 98 10.062 4.115 -14.353 1.00 0.00 C ATOM 1203 C LEU A 98 10.445 3.587 -12.956 1.00 0.00 C ATOM 1204 O LEU A 98 11.380 4.098 -12.337 1.00 0.00 O ATOM 1205 CB LEU A 98 8.651 4.726 -14.482 1.00 0.00 C ATOM 1206 CG LEU A 98 8.267 5.751 -13.411 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.237 6.930 -13.362 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.861 6.287 -13.681 1.00 0.00 C ATOM 0 H LEU A 98 9.228 2.821 -15.752 1.00 0.00 H new ATOM 0 HA LEU A 98 10.782 4.914 -14.529 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.570 5.202 -15.459 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.922 3.916 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 98 8.306 5.236 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.922 7.629 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.240 6.567 -13.137 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.243 7.437 -14.327 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.596 7.015 -12.915 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.836 6.765 -14.660 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.147 5.463 -13.661 1.00 0.00 H new ATOM 1220 N TYR A 99 9.814 2.495 -12.516 1.00 0.00 N ATOM 1221 CA TYR A 99 10.171 1.767 -11.296 1.00 0.00 C ATOM 1222 C TYR A 99 11.649 1.344 -11.281 1.00 0.00 C ATOM 1223 O TYR A 99 12.327 1.575 -10.286 1.00 0.00 O ATOM 1224 CB TYR A 99 9.248 0.546 -11.154 1.00 0.00 C ATOM 1225 CG TYR A 99 9.650 -0.435 -10.066 1.00 0.00 C ATOM 1226 CD1 TYR A 99 9.404 -0.134 -8.712 1.00 0.00 C ATOM 1227 CD2 TYR A 99 10.274 -1.652 -10.411 1.00 0.00 C ATOM 1228 CE1 TYR A 99 9.779 -1.047 -7.707 1.00 0.00 C ATOM 1229 CE2 TYR A 99 10.647 -2.568 -9.408 1.00 0.00 C ATOM 1230 CZ TYR A 99 10.401 -2.266 -8.050 1.00 0.00 C ATOM 1231 OH TYR A 99 10.746 -3.145 -7.067 1.00 0.00 O ATOM 0 H TYR A 99 9.022 2.083 -13.010 1.00 0.00 H new ATOM 0 HA TYR A 99 10.034 2.434 -10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.235 0.895 -10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.219 0.018 -12.107 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.928 0.797 -8.444 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.467 -1.882 -11.448 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.590 -0.813 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 99 11.121 -3.501 -9.677 1.00 0.00 H new ATOM 0 HH TYR A 99 11.163 -3.936 -7.467 1.00 0.00 H new ATOM 1241 N ASP A 100 12.181 0.786 -12.372 1.00 0.00 N ATOM 1242 CA ASP A 100 13.560 0.272 -12.418 1.00 0.00 C ATOM 1243 C ASP A 100 14.639 1.356 -12.261 1.00 0.00 C ATOM 1244 O ASP A 100 15.663 1.123 -11.619 1.00 0.00 O ATOM 1245 CB ASP A 100 13.778 -0.468 -13.738 1.00 0.00 C ATOM 1246 CG ASP A 100 14.980 -1.421 -13.644 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.978 -2.297 -12.744 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.918 -1.303 -14.468 1.00 0.00 O ATOM 0 H ASP A 100 11.672 0.676 -13.249 1.00 0.00 H new ATOM 0 HA ASP A 100 13.668 -0.396 -11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.881 -1.032 -13.995 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.942 0.252 -14.540 1.00 0.00 H new ATOM 1253 N MET A 101 14.399 2.550 -12.808 1.00 0.00 N ATOM 1254 CA MET A 101 15.242 3.729 -12.542 1.00 0.00 C ATOM 1255 C MET A 101 15.087 4.213 -11.094 1.00 0.00 C ATOM 1256 O MET A 101 16.070 4.393 -10.380 1.00 0.00 O ATOM 1257 CB MET A 101 14.837 4.892 -13.444 1.00 0.00 C ATOM 1258 CG MET A 101 15.135 4.715 -14.932 1.00 0.00 C ATOM 1259 SD MET A 101 14.740 6.203 -15.896 1.00 0.00 S ATOM 1260 CE MET A 101 13.015 6.475 -15.389 1.00 0.00 C ATOM 0 H MET A 101 13.622 2.731 -13.444 1.00 0.00 H new ATOM 0 HA MET A 101 16.272 3.425 -12.731 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.767 5.064 -13.325 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.345 5.791 -13.096 1.00 0.00 H new ATOM 0 HG2 MET A 101 16.189 4.469 -15.062 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.561 3.872 -15.317 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.546 7.190 -16.065 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.472 5.531 -15.425 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.992 6.868 -14.373 1.00 0.00 H new ATOM 1270 N LEU A 102 13.847 4.387 -10.631 1.00 0.00 N ATOM 1271 CA LEU A 102 13.516 4.859 -9.285 1.00 0.00 C ATOM 1272 C LEU A 102 14.036 3.925 -8.195 1.00 0.00 C ATOM 1273 O LEU A 102 14.480 4.426 -7.169 1.00 0.00 O ATOM 1274 CB LEU A 102 11.999 5.101 -9.206 1.00 0.00 C ATOM 1275 CG LEU A 102 11.516 6.474 -9.735 1.00 0.00 C ATOM 1276 CD1 LEU A 102 12.240 7.051 -10.956 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.026 6.363 -10.036 1.00 0.00 C ATOM 0 H LEU A 102 13.021 4.198 -11.199 1.00 0.00 H new ATOM 0 HA LEU A 102 14.026 5.804 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.493 4.316 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.686 5.001 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 102 11.751 7.183 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.801 8.013 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.296 7.186 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.139 6.365 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.658 7.318 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.863 5.591 -10.788 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.489 6.100 -9.124 1.00 0.00 H new ATOM 1289 N ARG A 103 14.159 2.619 -8.446 1.00 0.00 N ATOM 1290 CA ARG A 103 14.834 1.647 -7.591 1.00 0.00 C ATOM 1291 C ARG A 103 16.264 2.068 -7.207 1.00 0.00 C ATOM 1292 O ARG A 103 16.740 1.724 -6.126 1.00 0.00 O ATOM 1293 CB ARG A 103 14.813 0.340 -8.393 1.00 0.00 C ATOM 1294 CG ARG A 103 15.098 -0.913 -7.573 1.00 0.00 C ATOM 1295 CD ARG A 103 15.888 -1.903 -8.432 1.00 0.00 C ATOM 1296 NE ARG A 103 15.129 -2.443 -9.580 1.00 0.00 N ATOM 1297 CZ ARG A 103 14.388 -3.535 -9.625 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.100 -4.240 -8.566 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.935 -3.939 -10.773 1.00 0.00 N ATOM 0 H ARG A 103 13.773 2.194 -9.289 1.00 0.00 H new ATOM 0 HA ARG A 103 14.328 1.550 -6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.836 0.235 -8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.549 0.409 -9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 103 15.664 -0.656 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.164 -1.365 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.786 -1.410 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 103 16.216 -2.732 -7.804 1.00 0.00 H new ATOM 0 HE ARG A 103 15.185 -1.905 -10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.452 -3.954 -7.652 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.523 -5.077 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.153 -3.415 -11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.361 -4.780 -10.827 1.00 0.00 H new ATOM 1313 N LYS A 104 16.929 2.854 -8.067 1.00 0.00 N ATOM 1314 CA LYS A 104 18.248 3.462 -7.825 1.00 0.00 C ATOM 1315 C LYS A 104 18.191 4.832 -7.136 1.00 0.00 C ATOM 1316 O LYS A 104 19.195 5.201 -6.528 1.00 0.00 O ATOM 1317 CB LYS A 104 19.024 3.582 -9.158 1.00 0.00 C ATOM 1318 CG LYS A 104 19.149 2.285 -9.978 1.00 0.00 C ATOM 1319 CD LYS A 104 19.914 1.172 -9.244 1.00 0.00 C ATOM 1320 CE LYS A 104 20.116 -0.028 -10.180 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.920 -1.104 -9.536 1.00 0.00 N ATOM 0 H LYS A 104 16.550 3.093 -8.983 1.00 0.00 H new ATOM 0 HA LYS A 104 18.764 2.795 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.534 4.335 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 104 20.027 3.951 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.151 1.925 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.655 2.505 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.880 1.546 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.361 0.863 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.145 -0.427 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 104 20.615 0.302 -11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.034 -1.896 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.856 -0.731 -9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.432 -1.437 -8.680 1.00 0.00 H new ATOM 1335 N ASN A 105 17.085 5.592 -7.218 1.00 0.00 N ATOM 1336 CA ASN A 105 17.068 7.010 -6.773 1.00 0.00 C ATOM 1337 C ASN A 105 16.011 7.405 -5.709 1.00 0.00 C ATOM 1338 O ASN A 105 16.198 8.403 -5.013 1.00 0.00 O ATOM 1339 CB ASN A 105 16.927 7.896 -8.037 1.00 0.00 C ATOM 1340 CG ASN A 105 17.971 7.652 -9.121 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.660 7.328 -10.255 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.239 7.821 -8.823 1.00 0.00 N ATOM 0 H ASN A 105 16.194 5.258 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 105 18.008 7.168 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.938 7.735 -8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.978 8.942 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.954 7.681 -9.537 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.509 8.092 -7.877 1.00 0.00 H new ATOM 1349 N LEU A 106 14.915 6.662 -5.566 1.00 0.00 N ATOM 1350 CA LEU A 106 13.719 7.002 -4.775 1.00 0.00 C ATOM 1351 C LEU A 106 13.324 5.854 -3.820 1.00 0.00 C ATOM 1352 O LEU A 106 13.607 4.686 -4.088 1.00 0.00 O ATOM 1353 CB LEU A 106 12.607 7.330 -5.799 1.00 0.00 C ATOM 1354 CG LEU A 106 11.230 7.771 -5.266 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.286 9.081 -4.481 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.290 7.993 -6.448 1.00 0.00 C ATOM 0 H LEU A 106 14.826 5.754 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 106 13.902 7.857 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.979 8.119 -6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.456 6.447 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 106 10.884 6.982 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.286 9.339 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.950 8.964 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.661 9.876 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.312 8.306 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.699 8.767 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.187 7.065 -7.010 1.00 0.00 H new