USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 648 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 18 LYS NZ :NH3+ 174:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 30:sc= 1.12 USER MOD Set 2.1: A 9 SER OG : rot -19:sc= 0.731 USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.171 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.085) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0176 (180deg=-0.345) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 3 THR OG1 : rot 132:sc= 0.939 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.515 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -131:sc= 0.394 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -25:sc= 1.35 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 32 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.89) USER MOD Single : A 34 GLN : amide:sc= -0.224 K(o=-0.22,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.77 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.62) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= 3.41 (180deg=0.229) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00702 USER MOD Single : A 61 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.7!) USER MOD Single : A 66 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : A 67 GLN : amide:sc=-0.00423 K(o=-0.0042,f=-1.2) USER MOD Single : A 68 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-4.4!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00218 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.551 K(o=-0.55,f=0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.494 3.125 9.371 1.00 2.26 N ATOM 2 CA MET A 1 9.410 2.270 8.880 1.00 1.49 C ATOM 3 C MET A 1 8.449 3.137 8.075 1.00 1.28 C ATOM 4 O MET A 1 7.866 4.066 8.632 1.00 1.69 O ATOM 5 CB MET A 1 8.734 1.503 10.023 1.00 1.75 C ATOM 6 CG MET A 1 9.690 0.487 10.666 1.00 2.36 C ATOM 7 SD MET A 1 9.022 -0.426 12.079 1.00 2.99 S ATOM 8 CE MET A 1 7.670 -1.348 11.318 1.00 2.41 C ATOM 0 H1 MET A 1 11.309 2.535 9.636 1.00 2.26 H new ATOM 0 H2 MET A 1 10.777 3.791 8.624 1.00 2.26 H new ATOM 0 H3 MET A 1 10.167 3.657 10.203 1.00 2.26 H new ATOM 0 HA MET A 1 9.804 1.495 8.223 1.00 1.49 H new ATOM 0 HB2 MET A 1 8.388 2.207 10.780 1.00 1.75 H new ATOM 0 HB3 MET A 1 7.853 0.985 9.643 1.00 1.75 H new ATOM 0 HG2 MET A 1 9.996 -0.230 9.904 1.00 2.36 H new ATOM 0 HG3 MET A 1 10.589 1.013 10.988 1.00 2.36 H new ATOM 0 HE1 MET A 1 7.251 -2.045 12.044 1.00 2.41 H new ATOM 0 HE2 MET A 1 6.895 -0.654 10.992 1.00 2.41 H new ATOM 0 HE3 MET A 1 8.046 -1.902 10.458 1.00 2.41 H new ATOM 20 N GLN A 2 8.348 2.913 6.764 1.00 0.97 N ATOM 21 CA GLN A 2 7.731 3.872 5.861 1.00 0.99 C ATOM 22 C GLN A 2 6.913 3.178 4.782 1.00 1.04 C ATOM 23 O GLN A 2 7.452 2.572 3.852 1.00 1.67 O ATOM 24 CB GLN A 2 8.781 4.844 5.316 1.00 1.00 C ATOM 25 CG GLN A 2 8.200 6.262 5.247 1.00 1.08 C ATOM 26 CD GLN A 2 9.289 7.314 5.114 1.00 1.88 C ATOM 27 OE1 GLN A 2 10.442 7.009 4.832 1.00 3.11 O ATOM 28 NE2 GLN A 2 8.939 8.569 5.338 1.00 2.17 N ATOM 0 H GLN A 2 8.690 2.068 6.306 1.00 0.97 H new ATOM 0 HA GLN A 2 7.013 4.475 6.418 1.00 0.99 H new ATOM 0 HB2 GLN A 2 9.663 4.835 5.956 1.00 1.00 H new ATOM 0 HB3 GLN A 2 9.103 4.526 4.324 1.00 1.00 H new ATOM 0 HG2 GLN A 2 7.519 6.335 4.399 1.00 1.08 H new ATOM 0 HG3 GLN A 2 7.613 6.458 6.144 1.00 1.08 H new ATOM 0 HE21 GLN A 2 7.972 8.795 5.571 1.00 2.17 H new ATOM 0 HE22 GLN A 2 9.636 9.311 5.278 1.00 2.17 H new ATOM 37 N THR A 3 5.599 3.264 4.949 1.00 0.66 N ATOM 38 CA THR A 3 4.610 2.526 4.199 1.00 0.60 C ATOM 39 C THR A 3 4.091 3.402 3.057 1.00 0.71 C ATOM 40 O THR A 3 3.241 4.267 3.270 1.00 1.28 O ATOM 41 CB THR A 3 3.537 2.099 5.203 1.00 0.65 C ATOM 42 OG1 THR A 3 4.196 1.457 6.278 1.00 0.92 O ATOM 43 CG2 THR A 3 2.550 1.116 4.594 1.00 0.97 C ATOM 0 H THR A 3 5.182 3.881 5.646 1.00 0.66 H new ATOM 0 HA THR A 3 5.006 1.630 3.721 1.00 0.60 H new ATOM 0 HB THR A 3 2.981 2.981 5.522 1.00 0.65 H new ATOM 0 HG1 THR A 3 3.866 1.819 7.127 1.00 0.92 H new ATOM 0 HG21 THR A 3 1.805 0.839 5.340 1.00 0.97 H new ATOM 0 HG22 THR A 3 2.054 1.580 3.741 1.00 0.97 H new ATOM 0 HG23 THR A 3 3.082 0.224 4.263 1.00 0.97 H new ATOM 51 N VAL A 4 4.627 3.211 1.855 1.00 0.52 N ATOM 52 CA VAL A 4 4.320 4.045 0.702 1.00 0.48 C ATOM 53 C VAL A 4 3.224 3.359 -0.106 1.00 0.52 C ATOM 54 O VAL A 4 3.378 2.199 -0.488 1.00 0.82 O ATOM 55 CB VAL A 4 5.575 4.310 -0.139 1.00 0.61 C ATOM 56 CG1 VAL A 4 5.278 5.374 -1.199 1.00 0.76 C ATOM 57 CG2 VAL A 4 6.703 4.841 0.745 1.00 0.73 C ATOM 0 H VAL A 4 5.293 2.465 1.654 1.00 0.52 H new ATOM 0 HA VAL A 4 3.964 5.021 1.031 1.00 0.48 H new ATOM 0 HB VAL A 4 5.871 3.371 -0.608 1.00 0.61 H new ATOM 0 HG11 VAL A 4 6.174 5.557 -1.792 1.00 0.76 H new ATOM 0 HG12 VAL A 4 4.477 5.025 -1.850 1.00 0.76 H new ATOM 0 HG13 VAL A 4 4.972 6.299 -0.710 1.00 0.76 H new ATOM 0 HG21 VAL A 4 7.588 5.025 0.135 1.00 0.73 H new ATOM 0 HG22 VAL A 4 6.388 5.772 1.217 1.00 0.73 H new ATOM 0 HG23 VAL A 4 6.939 4.106 1.514 1.00 0.73 H new ATOM 67 N ILE A 5 2.111 4.045 -0.349 1.00 0.49 N ATOM 68 CA ILE A 5 0.900 3.438 -0.874 1.00 0.55 C ATOM 69 C ILE A 5 0.743 3.853 -2.324 1.00 0.58 C ATOM 70 O ILE A 5 0.150 4.886 -2.620 1.00 1.12 O ATOM 71 CB ILE A 5 -0.305 3.811 -0.001 1.00 0.76 C ATOM 72 CG1 ILE A 5 0.042 3.491 1.464 1.00 1.02 C ATOM 73 CG2 ILE A 5 -1.579 3.132 -0.539 1.00 0.92 C ATOM 74 CD1 ILE A 5 -1.166 3.425 2.394 1.00 1.67 C ATOM 0 H ILE A 5 2.027 5.048 -0.184 1.00 0.49 H new ATOM 0 HA ILE A 5 0.965 2.350 -0.844 1.00 0.55 H new ATOM 0 HB ILE A 5 -0.525 4.878 -0.041 1.00 0.76 H new ATOM 0 HG12 ILE A 5 0.567 2.537 1.501 1.00 1.02 H new ATOM 0 HG13 ILE A 5 0.732 4.249 1.836 1.00 1.02 H new ATOM 0 HG21 ILE A 5 -2.428 3.403 0.088 1.00 0.92 H new ATOM 0 HG22 ILE A 5 -1.763 3.462 -1.562 1.00 0.92 H new ATOM 0 HG23 ILE A 5 -1.448 2.050 -0.524 1.00 0.92 H new ATOM 0 HD11 ILE A 5 -0.834 3.195 3.406 1.00 1.67 H new ATOM 0 HD12 ILE A 5 -1.681 4.386 2.391 1.00 1.67 H new ATOM 0 HD13 ILE A 5 -1.848 2.647 2.050 1.00 1.67 H new ATOM 86 N PHE A 6 1.261 3.028 -3.223 1.00 0.66 N ATOM 87 CA PHE A 6 1.134 3.174 -4.653 1.00 0.76 C ATOM 88 C PHE A 6 -0.309 2.785 -4.991 1.00 1.15 C ATOM 89 O PHE A 6 -0.587 1.637 -5.335 1.00 1.52 O ATOM 90 CB PHE A 6 2.169 2.247 -5.303 1.00 0.86 C ATOM 91 CG PHE A 6 3.576 2.806 -5.437 1.00 0.78 C ATOM 92 CD1 PHE A 6 4.311 3.155 -4.289 1.00 2.30 C ATOM 93 CD2 PHE A 6 4.154 2.979 -6.710 1.00 2.44 C ATOM 94 CE1 PHE A 6 5.568 3.768 -4.419 1.00 2.29 C ATOM 95 CE2 PHE A 6 5.412 3.591 -6.839 1.00 2.64 C ATOM 96 CZ PHE A 6 6.099 4.022 -5.693 1.00 1.31 C ATOM 0 H PHE A 6 1.803 2.206 -2.957 1.00 0.66 H new ATOM 0 HA PHE A 6 1.322 4.184 -5.018 1.00 0.76 H new ATOM 0 HB2 PHE A 6 2.219 1.327 -4.721 1.00 0.86 H new ATOM 0 HB3 PHE A 6 1.811 1.976 -6.296 1.00 0.86 H new ATOM 0 HD1 PHE A 6 3.908 2.951 -3.308 1.00 2.30 H new ATOM 0 HD2 PHE A 6 3.628 2.640 -7.590 1.00 2.44 H new ATOM 0 HE1 PHE A 6 6.127 4.044 -3.537 1.00 2.29 H new ATOM 0 HE2 PHE A 6 5.849 3.729 -7.817 1.00 2.64 H new ATOM 0 HZ PHE A 6 7.036 4.549 -5.792 1.00 1.31 H new ATOM 106 N GLY A 7 -1.246 3.711 -4.802 1.00 1.52 N ATOM 107 CA GLY A 7 -2.665 3.414 -4.699 1.00 2.39 C ATOM 108 C GLY A 7 -3.527 4.235 -5.651 1.00 1.21 C ATOM 109 O GLY A 7 -3.101 4.600 -6.749 1.00 1.99 O ATOM 0 H GLY A 7 -1.033 4.705 -4.715 1.00 1.52 H new ATOM 0 HA2 GLY A 7 -2.822 2.354 -4.901 1.00 2.39 H new ATOM 0 HA3 GLY A 7 -2.993 3.596 -3.676 1.00 2.39 H new ATOM 113 N ARG A 8 -4.766 4.472 -5.233 1.00 1.60 N ATOM 114 CA ARG A 8 -5.821 5.250 -5.861 1.00 1.77 C ATOM 115 C ARG A 8 -6.999 5.126 -4.911 1.00 2.06 C ATOM 116 O ARG A 8 -7.539 4.033 -4.775 1.00 2.95 O ATOM 117 CB ARG A 8 -6.242 4.680 -7.222 1.00 2.91 C ATOM 118 CG ARG A 8 -7.452 5.394 -7.850 1.00 4.26 C ATOM 119 CD ARG A 8 -7.125 6.597 -8.745 1.00 5.25 C ATOM 120 NE ARG A 8 -6.536 7.740 -8.023 1.00 5.74 N ATOM 121 CZ ARG A 8 -6.808 9.035 -8.259 1.00 6.73 C ATOM 122 NH1 ARG A 8 -7.850 9.426 -8.991 1.00 7.35 N ATOM 123 NH2 ARG A 8 -5.990 9.963 -7.776 1.00 7.65 N ATOM 0 H ARG A 8 -5.087 4.079 -4.348 1.00 1.60 H new ATOM 0 HA ARG A 8 -5.486 6.272 -6.038 1.00 1.77 H new ATOM 0 HB2 ARG A 8 -5.398 4.745 -7.909 1.00 2.91 H new ATOM 0 HB3 ARG A 8 -6.477 3.622 -7.105 1.00 2.91 H new ATOM 0 HG2 ARG A 8 -8.013 4.668 -8.439 1.00 4.26 H new ATOM 0 HG3 ARG A 8 -8.109 5.730 -7.048 1.00 4.26 H new ATOM 0 HD2 ARG A 8 -6.434 6.279 -9.526 1.00 5.25 H new ATOM 0 HD3 ARG A 8 -8.038 6.926 -9.242 1.00 5.25 H new ATOM 0 HE ARG A 8 -5.866 7.530 -7.283 1.00 5.74 H new ATOM 0 HH11 ARG A 8 -8.477 8.732 -9.397 1.00 7.35 H new ATOM 0 HH12 ARG A 8 -8.020 10.420 -9.146 1.00 7.35 H new ATOM 0 HH21 ARG A 8 -5.170 9.688 -7.235 1.00 7.65 H new ATOM 0 HH22 ARG A 8 -6.182 10.950 -7.946 1.00 7.65 H new ATOM 137 N SER A 9 -7.419 6.202 -4.257 1.00 2.80 N ATOM 138 CA SER A 9 -8.528 6.135 -3.318 1.00 3.53 C ATOM 139 C SER A 9 -9.862 6.128 -4.087 1.00 3.39 C ATOM 140 O SER A 9 -10.729 6.972 -3.855 1.00 4.79 O ATOM 141 CB SER A 9 -8.386 7.302 -2.335 1.00 4.98 C ATOM 142 OG SER A 9 -7.025 7.465 -1.954 1.00 5.63 O ATOM 0 H SER A 9 -7.008 7.130 -4.360 1.00 2.80 H new ATOM 0 HA SER A 9 -8.515 5.212 -2.739 1.00 3.53 H new ATOM 0 HB2 SER A 9 -8.754 8.220 -2.794 1.00 4.98 H new ATOM 0 HB3 SER A 9 -8.998 7.119 -1.452 1.00 4.98 H new ATOM 0 HG SER A 9 -6.531 6.640 -2.144 1.00 5.63 H new ATOM 148 N GLY A 10 -10.011 5.199 -5.033 1.00 2.48 N ATOM 149 CA GLY A 10 -11.086 5.160 -6.007 1.00 2.51 C ATOM 150 C GLY A 10 -12.191 4.239 -5.515 1.00 2.37 C ATOM 151 O GLY A 10 -13.223 4.711 -5.040 1.00 3.76 O ATOM 0 H GLY A 10 -9.355 4.425 -5.140 1.00 2.48 H new ATOM 0 HA2 GLY A 10 -11.480 6.163 -6.168 1.00 2.51 H new ATOM 0 HA3 GLY A 10 -10.707 4.809 -6.967 1.00 2.51 H new ATOM 155 N CYS A 11 -11.994 2.927 -5.627 1.00 1.50 N ATOM 156 CA CYS A 11 -13.004 1.961 -5.200 1.00 1.28 C ATOM 157 C CYS A 11 -12.920 1.760 -3.679 1.00 1.02 C ATOM 158 O CYS A 11 -11.808 1.722 -3.139 1.00 0.97 O ATOM 159 CB CYS A 11 -12.853 0.625 -5.939 1.00 1.40 C ATOM 160 SG CYS A 11 -11.776 -0.532 -5.085 1.00 2.08 S ATOM 0 H CYS A 11 -11.146 2.509 -6.009 1.00 1.50 H new ATOM 0 HA CYS A 11 -13.988 2.358 -5.452 1.00 1.28 H new ATOM 0 HB2 CYS A 11 -13.837 0.172 -6.065 1.00 1.40 H new ATOM 0 HB3 CYS A 11 -12.458 0.811 -6.938 1.00 1.40 H new ATOM 0 HG CYS A 11 -11.698 -1.636 -5.766 1.00 2.08 H new ATOM 165 N PRO A 12 -14.055 1.646 -2.970 1.00 1.00 N ATOM 166 CA PRO A 12 -14.082 1.483 -1.526 1.00 0.87 C ATOM 167 C PRO A 12 -13.143 0.385 -1.025 1.00 0.82 C ATOM 168 O PRO A 12 -12.511 0.546 0.018 1.00 0.86 O ATOM 169 CB PRO A 12 -15.534 1.206 -1.125 1.00 1.01 C ATOM 170 CG PRO A 12 -16.359 1.335 -2.406 1.00 1.44 C ATOM 171 CD PRO A 12 -15.398 1.801 -3.497 1.00 1.40 C ATOM 0 HA PRO A 12 -13.716 2.396 -1.057 1.00 0.87 H new ATOM 0 HB2 PRO A 12 -15.636 0.210 -0.694 1.00 1.01 H new ATOM 0 HB3 PRO A 12 -15.872 1.916 -0.370 1.00 1.01 H new ATOM 0 HG2 PRO A 12 -16.814 0.381 -2.672 1.00 1.44 H new ATOM 0 HG3 PRO A 12 -17.171 2.050 -2.274 1.00 1.44 H new ATOM 0 HD2 PRO A 12 -15.528 1.210 -4.404 1.00 1.40 H new ATOM 0 HD3 PRO A 12 -15.591 2.840 -3.763 1.00 1.40 H new ATOM 179 N TYR A 13 -13.054 -0.736 -1.741 1.00 1.02 N ATOM 180 CA TYR A 13 -12.200 -1.839 -1.323 1.00 1.17 C ATOM 181 C TYR A 13 -10.764 -1.341 -1.157 1.00 0.93 C ATOM 182 O TYR A 13 -10.116 -1.582 -0.148 1.00 1.00 O ATOM 183 CB TYR A 13 -12.273 -2.985 -2.343 1.00 1.68 C ATOM 184 CG TYR A 13 -12.096 -4.371 -1.755 1.00 1.81 C ATOM 185 CD1 TYR A 13 -10.938 -4.704 -1.029 1.00 2.66 C ATOM 186 CD2 TYR A 13 -13.103 -5.335 -1.938 1.00 2.64 C ATOM 187 CE1 TYR A 13 -10.804 -5.984 -0.472 1.00 3.01 C ATOM 188 CE2 TYR A 13 -12.973 -6.612 -1.369 1.00 2.87 C ATOM 189 CZ TYR A 13 -11.825 -6.932 -0.630 1.00 2.56 C ATOM 190 OH TYR A 13 -11.667 -8.183 -0.112 1.00 3.06 O ATOM 0 H TYR A 13 -13.562 -0.900 -2.610 1.00 1.02 H new ATOM 0 HA TYR A 13 -12.548 -2.223 -0.364 1.00 1.17 H new ATOM 0 HB2 TYR A 13 -13.237 -2.941 -2.850 1.00 1.68 H new ATOM 0 HB3 TYR A 13 -11.507 -2.827 -3.102 1.00 1.68 H new ATOM 0 HD1 TYR A 13 -10.152 -3.974 -0.901 1.00 2.66 H new ATOM 0 HD2 TYR A 13 -13.980 -5.092 -2.519 1.00 2.64 H new ATOM 0 HE1 TYR A 13 -9.912 -6.240 0.080 1.00 3.01 H new ATOM 0 HE2 TYR A 13 -13.755 -7.346 -1.500 1.00 2.87 H new ATOM 0 HH TYR A 13 -12.464 -8.720 -0.305 1.00 3.06 H new ATOM 200 N SER A 14 -10.274 -0.600 -2.146 1.00 0.91 N ATOM 201 CA SER A 14 -8.886 -0.183 -2.201 1.00 0.94 C ATOM 202 C SER A 14 -8.708 0.855 -1.090 1.00 0.78 C ATOM 203 O SER A 14 -7.687 0.892 -0.404 1.00 0.91 O ATOM 204 CB SER A 14 -8.595 0.415 -3.585 1.00 1.21 C ATOM 205 OG SER A 14 -7.488 1.293 -3.574 1.00 1.68 O ATOM 0 H SER A 14 -10.835 -0.273 -2.933 1.00 0.91 H new ATOM 0 HA SER A 14 -8.194 -1.012 -2.055 1.00 0.94 H new ATOM 0 HB2 SER A 14 -8.407 -0.392 -4.294 1.00 1.21 H new ATOM 0 HB3 SER A 14 -9.476 0.951 -3.938 1.00 1.21 H new ATOM 0 HG SER A 14 -7.730 2.130 -4.022 1.00 1.68 H new ATOM 211 N VAL A 15 -9.724 1.702 -0.906 1.00 0.67 N ATOM 212 CA VAL A 15 -9.765 2.667 0.185 1.00 0.82 C ATOM 213 C VAL A 15 -9.592 1.987 1.553 1.00 0.72 C ATOM 214 O VAL A 15 -9.086 2.631 2.465 1.00 0.99 O ATOM 215 CB VAL A 15 -11.021 3.560 0.108 1.00 1.03 C ATOM 216 CG1 VAL A 15 -11.106 4.534 1.292 1.00 1.44 C ATOM 217 CG2 VAL A 15 -11.028 4.397 -1.177 1.00 1.18 C ATOM 0 H VAL A 15 -10.542 1.734 -1.514 1.00 0.67 H new ATOM 0 HA VAL A 15 -8.911 3.334 0.069 1.00 0.82 H new ATOM 0 HB VAL A 15 -11.873 2.880 0.127 1.00 1.03 H new ATOM 0 HG11 VAL A 15 -12.005 5.143 1.198 1.00 1.44 H new ATOM 0 HG12 VAL A 15 -11.145 3.971 2.224 1.00 1.44 H new ATOM 0 HG13 VAL A 15 -10.228 5.180 1.295 1.00 1.44 H new ATOM 0 HG21 VAL A 15 -11.925 5.016 -1.203 1.00 1.18 H new ATOM 0 HG22 VAL A 15 -10.145 5.036 -1.200 1.00 1.18 H new ATOM 0 HG23 VAL A 15 -11.019 3.735 -2.043 1.00 1.18 H new ATOM 227 N ARG A 16 -9.940 0.706 1.731 1.00 0.58 N ATOM 228 CA ARG A 16 -9.610 0.018 2.980 1.00 0.66 C ATOM 229 C ARG A 16 -8.109 0.098 3.279 1.00 0.41 C ATOM 230 O ARG A 16 -7.702 0.098 4.437 1.00 0.47 O ATOM 231 CB ARG A 16 -9.972 -1.463 2.935 1.00 1.02 C ATOM 232 CG ARG A 16 -11.462 -1.788 2.890 1.00 1.76 C ATOM 233 CD ARG A 16 -12.047 -2.033 4.295 1.00 1.61 C ATOM 234 NE ARG A 16 -13.115 -1.083 4.633 1.00 2.23 N ATOM 235 CZ ARG A 16 -13.134 -0.204 5.650 1.00 3.30 C ATOM 236 NH1 ARG A 16 -12.048 0.062 6.375 1.00 3.92 N ATOM 237 NH2 ARG A 16 -14.275 0.414 5.934 1.00 4.75 N ATOM 0 H ARG A 16 -10.437 0.139 1.044 1.00 0.58 H new ATOM 0 HA ARG A 16 -10.190 0.522 3.753 1.00 0.66 H new ATOM 0 HB2 ARG A 16 -9.498 -1.906 2.059 1.00 1.02 H new ATOM 0 HB3 ARG A 16 -9.541 -1.948 3.811 1.00 1.02 H new ATOM 0 HG2 ARG A 16 -11.997 -0.967 2.414 1.00 1.76 H new ATOM 0 HG3 ARG A 16 -11.621 -2.672 2.273 1.00 1.76 H new ATOM 0 HD2 ARG A 16 -12.438 -3.049 4.350 1.00 1.61 H new ATOM 0 HD3 ARG A 16 -11.250 -1.957 5.035 1.00 1.61 H new ATOM 0 HE ARG A 16 -13.936 -1.091 4.027 1.00 2.23 H new ATOM 0 HH11 ARG A 16 -11.167 -0.407 6.165 1.00 3.92 H new ATOM 0 HH12 ARG A 16 -12.098 0.735 7.140 1.00 3.92 H new ATOM 0 HH21 ARG A 16 -15.112 0.217 5.385 1.00 4.75 H new ATOM 0 HH22 ARG A 16 -14.314 1.085 6.701 1.00 4.75 H new ATOM 251 N ALA A 17 -7.269 0.093 2.248 1.00 0.37 N ATOM 252 CA ALA A 17 -5.830 0.062 2.419 1.00 0.41 C ATOM 253 C ALA A 17 -5.369 1.403 2.999 1.00 0.40 C ATOM 254 O ALA A 17 -4.738 1.446 4.052 1.00 0.49 O ATOM 255 CB ALA A 17 -5.174 -0.304 1.085 1.00 0.49 C ATOM 0 H ALA A 17 -7.572 0.110 1.274 1.00 0.37 H new ATOM 0 HA ALA A 17 -5.523 -0.704 3.131 1.00 0.41 H new ATOM 0 HB1 ALA A 17 -4.091 -0.329 1.207 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -5.526 -1.284 0.763 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -5.437 0.440 0.334 1.00 0.49 H new ATOM 261 N LYS A 18 -5.735 2.497 2.325 1.00 0.43 N ATOM 262 CA LYS A 18 -5.709 3.852 2.878 1.00 0.80 C ATOM 263 C LYS A 18 -6.176 3.846 4.332 1.00 0.78 C ATOM 264 O LYS A 18 -5.394 4.198 5.200 1.00 0.83 O ATOM 265 CB LYS A 18 -6.557 4.811 2.011 1.00 1.15 C ATOM 266 CG LYS A 18 -7.050 6.108 2.691 1.00 1.81 C ATOM 267 CD LYS A 18 -5.952 7.093 3.117 1.00 1.75 C ATOM 268 CE LYS A 18 -5.252 7.693 1.890 1.00 1.57 C ATOM 269 NZ LYS A 18 -4.511 8.938 2.180 1.00 2.15 N ATOM 0 H LYS A 18 -6.064 2.464 1.360 1.00 0.43 H new ATOM 0 HA LYS A 18 -4.682 4.216 2.862 1.00 0.80 H new ATOM 0 HB2 LYS A 18 -5.969 5.088 1.136 1.00 1.15 H new ATOM 0 HB3 LYS A 18 -7.428 4.264 1.650 1.00 1.15 H new ATOM 0 HG2 LYS A 18 -7.727 6.620 2.008 1.00 1.81 H new ATOM 0 HG3 LYS A 18 -7.631 5.837 3.572 1.00 1.81 H new ATOM 0 HD2 LYS A 18 -6.387 7.891 3.720 1.00 1.75 H new ATOM 0 HD3 LYS A 18 -5.222 6.582 3.744 1.00 1.75 H new ATOM 0 HE2 LYS A 18 -4.561 6.956 1.480 1.00 1.57 H new ATOM 0 HE3 LYS A 18 -5.997 7.895 1.120 1.00 1.57 H new ATOM 0 HZ1 LYS A 18 -3.982 9.232 1.334 1.00 2.15 H new ATOM 0 HZ2 LYS A 18 -5.182 9.687 2.446 1.00 2.15 H new ATOM 0 HZ3 LYS A 18 -3.848 8.773 2.964 1.00 2.15 H new ATOM 283 N ASP A 19 -7.430 3.477 4.589 1.00 0.80 N ATOM 284 CA ASP A 19 -8.057 3.487 5.910 1.00 0.91 C ATOM 285 C ASP A 19 -7.163 2.809 6.941 1.00 0.76 C ATOM 286 O ASP A 19 -6.865 3.364 7.995 1.00 0.85 O ATOM 287 CB ASP A 19 -9.409 2.768 5.792 1.00 1.03 C ATOM 288 CG ASP A 19 -10.052 2.391 7.109 1.00 1.58 C ATOM 289 OD1 ASP A 19 -9.475 1.581 7.858 1.00 2.81 O ATOM 290 OD2 ASP A 19 -11.216 2.784 7.335 1.00 2.15 O ATOM 0 H ASP A 19 -8.060 3.151 3.856 1.00 0.80 H new ATOM 0 HA ASP A 19 -8.208 4.512 6.248 1.00 0.91 H new ATOM 0 HB2 ASP A 19 -10.097 3.408 5.240 1.00 1.03 H new ATOM 0 HB3 ASP A 19 -9.271 1.863 5.200 1.00 1.03 H new ATOM 295 N LEU A 20 -6.734 1.597 6.614 1.00 0.59 N ATOM 296 CA LEU A 20 -5.892 0.801 7.483 1.00 0.51 C ATOM 297 C LEU A 20 -4.621 1.575 7.813 1.00 0.43 C ATOM 298 O LEU A 20 -4.290 1.760 8.981 1.00 0.44 O ATOM 299 CB LEU A 20 -5.589 -0.540 6.807 1.00 0.49 C ATOM 300 CG LEU A 20 -4.679 -1.461 7.632 1.00 0.62 C ATOM 301 CD1 LEU A 20 -5.192 -1.686 9.060 1.00 1.38 C ATOM 302 CD2 LEU A 20 -4.558 -2.822 6.944 1.00 1.88 C ATOM 0 H LEU A 20 -6.965 1.140 5.732 1.00 0.59 H new ATOM 0 HA LEU A 20 -6.405 0.594 8.422 1.00 0.51 H new ATOM 0 HB2 LEU A 20 -6.528 -1.056 6.609 1.00 0.49 H new ATOM 0 HB3 LEU A 20 -5.119 -0.351 5.842 1.00 0.49 H new ATOM 0 HG LEU A 20 -3.711 -0.963 7.696 1.00 0.62 H new ATOM 0 HD11 LEU A 20 -4.507 -2.345 9.593 1.00 1.38 H new ATOM 0 HD12 LEU A 20 -5.254 -0.730 9.579 1.00 1.38 H new ATOM 0 HD13 LEU A 20 -6.181 -2.143 9.024 1.00 1.38 H new ATOM 0 HD21 LEU A 20 -3.911 -3.472 7.534 1.00 1.88 H new ATOM 0 HD22 LEU A 20 -5.546 -3.275 6.858 1.00 1.88 H new ATOM 0 HD23 LEU A 20 -4.131 -2.690 5.950 1.00 1.88 H new ATOM 314 N ALA A 21 -3.903 2.025 6.785 1.00 0.43 N ATOM 315 CA ALA A 21 -2.652 2.747 6.978 1.00 0.46 C ATOM 316 C ALA A 21 -2.867 4.034 7.759 1.00 0.48 C ATOM 317 O ALA A 21 -2.063 4.366 8.620 1.00 0.48 O ATOM 318 CB ALA A 21 -2.024 3.098 5.631 1.00 0.61 C ATOM 0 H ALA A 21 -4.169 1.900 5.808 1.00 0.43 H new ATOM 0 HA ALA A 21 -1.988 2.092 7.543 1.00 0.46 H new ATOM 0 HB1 ALA A 21 -1.091 3.637 5.794 1.00 0.61 H new ATOM 0 HB2 ALA A 21 -1.822 2.183 5.074 1.00 0.61 H new ATOM 0 HB3 ALA A 21 -2.710 3.725 5.062 1.00 0.61 H new ATOM 324 N GLU A 22 -3.921 4.767 7.425 1.00 0.58 N ATOM 325 CA GLU A 22 -4.301 6.032 8.008 1.00 0.77 C ATOM 326 C GLU A 22 -4.466 5.809 9.509 1.00 0.67 C ATOM 327 O GLU A 22 -3.702 6.337 10.317 1.00 0.65 O ATOM 328 CB GLU A 22 -5.589 6.461 7.285 1.00 1.07 C ATOM 329 CG GLU A 22 -6.265 7.718 7.815 1.00 1.47 C ATOM 330 CD GLU A 22 -7.657 7.838 7.237 1.00 2.23 C ATOM 331 OE1 GLU A 22 -7.838 7.656 6.015 1.00 2.86 O ATOM 332 OE2 GLU A 22 -8.583 8.114 8.030 1.00 3.33 O ATOM 0 H GLU A 22 -4.568 4.470 6.695 1.00 0.58 H new ATOM 0 HA GLU A 22 -3.568 6.830 7.890 1.00 0.77 H new ATOM 0 HB2 GLU A 22 -5.357 6.614 6.231 1.00 1.07 H new ATOM 0 HB3 GLU A 22 -6.303 5.639 7.338 1.00 1.07 H new ATOM 0 HG2 GLU A 22 -6.316 7.683 8.903 1.00 1.47 H new ATOM 0 HG3 GLU A 22 -5.676 8.596 7.552 1.00 1.47 H new ATOM 339 N LYS A 23 -5.433 4.968 9.868 1.00 0.69 N ATOM 340 CA LYS A 23 -5.729 4.650 11.247 1.00 0.72 C ATOM 341 C LYS A 23 -4.456 4.170 11.937 1.00 0.66 C ATOM 342 O LYS A 23 -4.123 4.649 13.017 1.00 0.74 O ATOM 343 CB LYS A 23 -6.868 3.621 11.301 1.00 0.87 C ATOM 344 CG LYS A 23 -7.538 3.546 12.681 1.00 1.80 C ATOM 345 CD LYS A 23 -6.819 2.631 13.687 1.00 3.16 C ATOM 346 CE LYS A 23 -7.548 1.293 13.871 1.00 3.83 C ATOM 347 NZ LYS A 23 -7.490 0.424 12.680 1.00 4.70 N ATOM 0 H LYS A 23 -6.034 4.488 9.198 1.00 0.69 H new ATOM 0 HA LYS A 23 -6.073 5.533 11.786 1.00 0.72 H new ATOM 0 HB2 LYS A 23 -7.618 3.876 10.552 1.00 0.87 H new ATOM 0 HB3 LYS A 23 -6.476 2.638 11.039 1.00 0.87 H new ATOM 0 HG2 LYS A 23 -7.595 4.551 13.099 1.00 1.80 H new ATOM 0 HG3 LYS A 23 -8.562 3.194 12.556 1.00 1.80 H new ATOM 0 HD2 LYS A 23 -5.801 2.445 13.344 1.00 3.16 H new ATOM 0 HD3 LYS A 23 -6.744 3.138 14.649 1.00 3.16 H new ATOM 0 HE2 LYS A 23 -7.112 0.764 14.719 1.00 3.83 H new ATOM 0 HE3 LYS A 23 -8.591 1.488 14.119 1.00 3.83 H new ATOM 0 HZ1 LYS A 23 -8.001 -0.462 12.871 1.00 4.70 H new ATOM 0 HZ2 LYS A 23 -7.931 0.911 11.873 1.00 4.70 H new ATOM 0 HZ3 LYS A 23 -6.498 0.210 12.455 1.00 4.70 H new ATOM 361 N LEU A 24 -3.724 3.240 11.321 1.00 0.57 N ATOM 362 CA LEU A 24 -2.501 2.745 11.919 1.00 0.58 C ATOM 363 C LEU A 24 -1.520 3.883 12.159 1.00 0.63 C ATOM 364 O LEU A 24 -0.926 3.938 13.221 1.00 0.76 O ATOM 365 CB LEU A 24 -1.872 1.635 11.073 1.00 0.59 C ATOM 366 CG LEU A 24 -2.459 0.257 11.389 1.00 0.68 C ATOM 367 CD1 LEU A 24 -2.013 -0.723 10.306 1.00 0.86 C ATOM 368 CD2 LEU A 24 -1.953 -0.272 12.741 1.00 0.84 C ATOM 0 H LEU A 24 -3.960 2.824 10.420 1.00 0.57 H new ATOM 0 HA LEU A 24 -2.754 2.309 12.885 1.00 0.58 H new ATOM 0 HB2 LEU A 24 -2.022 1.857 10.017 1.00 0.59 H new ATOM 0 HB3 LEU A 24 -0.796 1.617 11.245 1.00 0.59 H new ATOM 0 HG LEU A 24 -3.544 0.349 11.428 1.00 0.68 H new ATOM 0 HD11 LEU A 24 -2.424 -1.710 10.517 1.00 0.86 H new ATOM 0 HD12 LEU A 24 -2.372 -0.381 9.335 1.00 0.86 H new ATOM 0 HD13 LEU A 24 -0.925 -0.778 10.291 1.00 0.86 H new ATOM 0 HD21 LEU A 24 -2.389 -1.252 12.934 1.00 0.84 H new ATOM 0 HD22 LEU A 24 -0.867 -0.357 12.715 1.00 0.84 H new ATOM 0 HD23 LEU A 24 -2.244 0.417 13.533 1.00 0.84 H new ATOM 380 N SER A 25 -1.330 4.802 11.223 1.00 0.61 N ATOM 381 CA SER A 25 -0.403 5.904 11.434 1.00 0.70 C ATOM 382 C SER A 25 -0.928 6.877 12.493 1.00 0.92 C ATOM 383 O SER A 25 -0.148 7.611 13.093 1.00 1.15 O ATOM 384 CB SER A 25 -0.121 6.616 10.118 1.00 0.72 C ATOM 385 OG SER A 25 0.322 5.685 9.154 1.00 1.67 O ATOM 0 H SER A 25 -1.801 4.807 10.318 1.00 0.61 H new ATOM 0 HA SER A 25 0.535 5.495 11.809 1.00 0.70 H new ATOM 0 HB2 SER A 25 -1.022 7.117 9.765 1.00 0.72 H new ATOM 0 HB3 SER A 25 0.635 7.387 10.266 1.00 0.72 H new ATOM 0 HG SER A 25 0.722 4.912 9.605 1.00 1.67 H new ATOM 391 N ASN A 26 -2.242 6.893 12.725 1.00 1.00 N ATOM 392 CA ASN A 26 -2.838 7.652 13.816 1.00 1.22 C ATOM 393 C ASN A 26 -2.571 6.965 15.154 1.00 1.19 C ATOM 394 O ASN A 26 -2.400 7.633 16.174 1.00 1.50 O ATOM 395 CB ASN A 26 -4.337 7.895 13.605 1.00 1.34 C ATOM 396 CG ASN A 26 -4.669 8.604 12.293 1.00 1.55 C ATOM 397 OD1 ASN A 26 -3.804 9.200 11.652 1.00 2.02 O ATOM 398 ND2 ASN A 26 -5.937 8.566 11.896 1.00 2.11 N ATOM 0 H ASN A 26 -2.919 6.379 12.160 1.00 1.00 H new ATOM 0 HA ASN A 26 -2.363 8.633 13.829 1.00 1.22 H new ATOM 0 HB2 ASN A 26 -4.858 6.938 13.632 1.00 1.34 H new ATOM 0 HB3 ASN A 26 -4.719 8.489 14.435 1.00 1.34 H new ATOM 0 HD21 ASN A 26 -6.217 9.040 11.037 1.00 2.11 H new ATOM 0 HD22 ASN A 26 -6.630 8.063 12.450 1.00 2.11 H new ATOM 405 N GLU A 27 -2.556 5.635 15.188 1.00 1.01 N ATOM 406 CA GLU A 27 -2.237 4.857 16.380 1.00 1.17 C ATOM 407 C GLU A 27 -0.740 4.885 16.689 1.00 1.41 C ATOM 408 O GLU A 27 -0.332 4.974 17.846 1.00 1.88 O ATOM 409 CB GLU A 27 -2.659 3.405 16.144 1.00 1.29 C ATOM 410 CG GLU A 27 -4.179 3.251 16.070 1.00 1.76 C ATOM 411 CD GLU A 27 -4.766 3.233 17.455 1.00 2.70 C ATOM 412 OE1 GLU A 27 -4.794 2.132 18.038 1.00 3.56 O ATOM 413 OE2 GLU A 27 -5.252 4.286 17.916 1.00 3.63 O ATOM 0 H GLU A 27 -2.769 5.059 14.374 1.00 1.01 H new ATOM 0 HA GLU A 27 -2.770 5.293 17.225 1.00 1.17 H new ATOM 0 HB2 GLU A 27 -2.213 3.045 15.217 1.00 1.29 H new ATOM 0 HB3 GLU A 27 -2.271 2.780 16.948 1.00 1.29 H new ATOM 0 HG2 GLU A 27 -4.608 4.072 15.496 1.00 1.76 H new ATOM 0 HG3 GLU A 27 -4.434 2.329 15.547 1.00 1.76 H new ATOM 420 N ARG A 28 0.061 4.678 15.656 1.00 1.21 N ATOM 421 CA ARG A 28 1.471 4.366 15.720 1.00 1.30 C ATOM 422 C ARG A 28 2.263 5.643 15.495 1.00 1.48 C ATOM 423 O ARG A 28 1.873 6.484 14.686 1.00 1.85 O ATOM 424 CB ARG A 28 1.812 3.374 14.606 1.00 1.22 C ATOM 425 CG ARG A 28 1.021 2.053 14.658 1.00 1.45 C ATOM 426 CD ARG A 28 1.348 1.170 15.861 1.00 1.78 C ATOM 427 NE ARG A 28 2.768 0.811 15.880 1.00 2.32 N ATOM 428 CZ ARG A 28 3.304 -0.222 16.536 1.00 3.37 C ATOM 429 NH1 ARG A 28 2.573 -0.957 17.376 1.00 4.05 N ATOM 430 NH2 ARG A 28 4.584 -0.507 16.320 1.00 4.59 N ATOM 0 H ARG A 28 -0.281 4.727 14.696 1.00 1.21 H new ATOM 0 HA ARG A 28 1.715 3.935 16.691 1.00 1.30 H new ATOM 0 HB2 ARG A 28 1.631 3.853 13.644 1.00 1.22 H new ATOM 0 HB3 ARG A 28 2.877 3.146 14.654 1.00 1.22 H new ATOM 0 HG2 ARG A 28 -0.045 2.282 14.669 1.00 1.45 H new ATOM 0 HG3 ARG A 28 1.217 1.490 13.745 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.090 1.694 16.781 1.00 1.78 H new ATOM 0 HD3 ARG A 28 0.741 0.265 15.828 1.00 1.78 H new ATOM 0 HE ARG A 28 3.404 1.402 15.345 1.00 2.32 H new ATOM 0 HH11 ARG A 28 1.589 -0.734 17.525 1.00 4.05 H new ATOM 0 HH12 ARG A 28 2.998 -1.742 17.869 1.00 4.05 H new ATOM 0 HH21 ARG A 28 5.129 0.057 15.668 1.00 4.59 H new ATOM 0 HH22 ARG A 28 5.021 -1.290 16.806 1.00 4.59 H new ATOM 444 N ASP A 29 3.398 5.761 16.175 1.00 1.48 N ATOM 445 CA ASP A 29 4.340 6.853 15.984 1.00 1.77 C ATOM 446 C ASP A 29 5.664 6.319 15.441 1.00 1.31 C ATOM 447 O ASP A 29 6.564 7.085 15.117 1.00 2.10 O ATOM 448 CB ASP A 29 4.560 7.564 17.316 1.00 2.36 C ATOM 449 CG ASP A 29 5.513 8.736 17.185 1.00 3.78 C ATOM 450 OD1 ASP A 29 5.364 9.523 16.225 1.00 4.90 O ATOM 451 OD2 ASP A 29 6.376 8.877 18.078 1.00 4.51 O ATOM 0 H ASP A 29 3.692 5.090 16.884 1.00 1.48 H new ATOM 0 HA ASP A 29 3.935 7.560 15.261 1.00 1.77 H new ATOM 0 HB2 ASP A 29 3.603 7.916 17.701 1.00 2.36 H new ATOM 0 HB3 ASP A 29 4.955 6.855 18.044 1.00 2.36 H new ATOM 456 N ASP A 30 5.792 5.003 15.290 1.00 0.85 N ATOM 457 CA ASP A 30 7.054 4.406 14.906 1.00 1.41 C ATOM 458 C ASP A 30 7.102 4.526 13.398 1.00 1.27 C ATOM 459 O ASP A 30 7.956 5.239 12.874 1.00 1.44 O ATOM 460 CB ASP A 30 7.168 2.942 15.379 1.00 2.20 C ATOM 461 CG ASP A 30 5.928 2.108 15.143 1.00 2.99 C ATOM 462 OD1 ASP A 30 4.867 2.498 15.669 1.00 3.88 O ATOM 463 OD2 ASP A 30 6.006 1.028 14.528 1.00 4.00 O ATOM 0 H ASP A 30 5.033 4.336 15.429 1.00 0.85 H new ATOM 0 HA ASP A 30 7.899 4.911 15.374 1.00 1.41 H new ATOM 0 HB2 ASP A 30 8.009 2.473 14.868 1.00 2.20 H new ATOM 0 HB3 ASP A 30 7.398 2.935 16.444 1.00 2.20 H new ATOM 468 N PHE A 31 6.177 3.885 12.695 1.00 1.05 N ATOM 469 CA PHE A 31 6.090 3.977 11.269 1.00 0.87 C ATOM 470 C PHE A 31 5.297 5.214 10.843 1.00 0.78 C ATOM 471 O PHE A 31 4.458 5.727 11.590 1.00 0.95 O ATOM 472 CB PHE A 31 5.504 2.657 10.764 1.00 0.81 C ATOM 473 CG PHE A 31 4.040 2.682 10.388 1.00 0.61 C ATOM 474 CD1 PHE A 31 3.063 2.517 11.379 1.00 1.60 C ATOM 475 CD2 PHE A 31 3.661 2.958 9.064 1.00 1.78 C ATOM 476 CE1 PHE A 31 1.708 2.647 11.046 1.00 1.86 C ATOM 477 CE2 PHE A 31 2.302 3.022 8.723 1.00 1.91 C ATOM 478 CZ PHE A 31 1.322 2.860 9.713 1.00 1.30 C ATOM 0 H PHE A 31 5.467 3.285 13.115 1.00 1.05 H new ATOM 0 HA PHE A 31 7.072 4.115 10.816 1.00 0.87 H new ATOM 0 HB2 PHE A 31 6.077 2.338 9.893 1.00 0.81 H new ATOM 0 HB3 PHE A 31 5.648 1.900 11.535 1.00 0.81 H new ATOM 0 HD1 PHE A 31 3.353 2.291 12.394 1.00 1.60 H new ATOM 0 HD2 PHE A 31 4.416 3.121 8.309 1.00 1.78 H new ATOM 0 HE1 PHE A 31 0.956 2.583 11.819 1.00 1.86 H new ATOM 0 HE2 PHE A 31 2.010 3.196 7.698 1.00 1.91 H new ATOM 0 HZ PHE A 31 0.275 2.899 9.451 1.00 1.30 H new ATOM 488 N GLN A 32 5.573 5.680 9.627 1.00 0.78 N ATOM 489 CA GLN A 32 4.823 6.708 8.927 1.00 0.71 C ATOM 490 C GLN A 32 4.301 6.066 7.644 1.00 0.59 C ATOM 491 O GLN A 32 4.932 5.153 7.112 1.00 0.73 O ATOM 492 CB GLN A 32 5.752 7.891 8.605 1.00 0.89 C ATOM 493 CG GLN A 32 6.162 8.677 9.864 1.00 1.19 C ATOM 494 CD GLN A 32 7.199 7.932 10.702 1.00 2.76 C ATOM 495 OE1 GLN A 32 8.214 7.486 10.171 1.00 4.30 O ATOM 496 NE2 GLN A 32 6.975 7.783 12.000 1.00 3.44 N ATOM 0 H GLN A 32 6.362 5.332 9.082 1.00 0.78 H new ATOM 0 HA GLN A 32 3.998 7.089 9.529 1.00 0.71 H new ATOM 0 HB2 GLN A 32 6.647 7.521 8.104 1.00 0.89 H new ATOM 0 HB3 GLN A 32 5.251 8.563 7.908 1.00 0.89 H new ATOM 0 HG2 GLN A 32 6.565 9.646 9.569 1.00 1.19 H new ATOM 0 HG3 GLN A 32 5.278 8.871 10.472 1.00 1.19 H new ATOM 0 HE21 GLN A 32 6.125 8.162 12.418 1.00 3.44 H new ATOM 0 HE22 GLN A 32 7.653 7.289 12.581 1.00 3.44 H new ATOM 505 N TYR A 33 3.173 6.534 7.118 1.00 0.64 N ATOM 506 CA TYR A 33 2.709 6.134 5.796 1.00 0.69 C ATOM 507 C TYR A 33 2.671 7.365 4.908 1.00 0.75 C ATOM 508 O TYR A 33 2.494 8.475 5.418 1.00 0.88 O ATOM 509 CB TYR A 33 1.341 5.437 5.863 1.00 0.82 C ATOM 510 CG TYR A 33 0.137 6.284 5.498 1.00 0.76 C ATOM 511 CD1 TYR A 33 -0.438 7.154 6.439 1.00 1.91 C ATOM 512 CD2 TYR A 33 -0.401 6.214 4.202 1.00 2.04 C ATOM 513 CE1 TYR A 33 -1.619 7.844 6.126 1.00 1.88 C ATOM 514 CE2 TYR A 33 -1.596 6.884 3.896 1.00 2.15 C ATOM 515 CZ TYR A 33 -2.227 7.661 4.875 1.00 0.93 C ATOM 516 OH TYR A 33 -3.348 8.364 4.552 1.00 1.12 O ATOM 0 H TYR A 33 2.560 7.196 7.593 1.00 0.64 H new ATOM 0 HA TYR A 33 3.399 5.404 5.373 1.00 0.69 H new ATOM 0 HB2 TYR A 33 1.365 4.572 5.200 1.00 0.82 H new ATOM 0 HB3 TYR A 33 1.199 5.059 6.875 1.00 0.82 H new ATOM 0 HD1 TYR A 33 0.029 7.292 7.403 1.00 1.91 H new ATOM 0 HD2 TYR A 33 0.106 5.643 3.439 1.00 2.04 H new ATOM 0 HE1 TYR A 33 -2.060 8.516 6.848 1.00 1.88 H new ATOM 0 HE2 TYR A 33 -2.027 6.800 2.909 1.00 2.15 H new ATOM 0 HH TYR A 33 -3.336 9.229 5.013 1.00 1.12 H new ATOM 526 N GLN A 34 2.821 7.162 3.603 1.00 0.84 N ATOM 527 CA GLN A 34 2.763 8.192 2.581 1.00 0.80 C ATOM 528 C GLN A 34 2.010 7.581 1.409 1.00 0.71 C ATOM 529 O GLN A 34 2.030 6.362 1.246 1.00 0.83 O ATOM 530 CB GLN A 34 4.197 8.595 2.220 1.00 0.85 C ATOM 531 CG GLN A 34 4.332 9.974 1.558 1.00 1.41 C ATOM 532 CD GLN A 34 4.255 9.941 0.037 1.00 2.10 C ATOM 533 OE1 GLN A 34 4.464 8.907 -0.589 1.00 3.27 O ATOM 534 NE2 GLN A 34 3.991 11.075 -0.592 1.00 2.78 N ATOM 0 H GLN A 34 2.994 6.234 3.216 1.00 0.84 H new ATOM 0 HA GLN A 34 2.250 9.098 2.904 1.00 0.80 H new ATOM 0 HB2 GLN A 34 4.802 8.582 3.127 1.00 0.85 H new ATOM 0 HB3 GLN A 34 4.612 7.843 1.549 1.00 0.85 H new ATOM 0 HG2 GLN A 34 3.545 10.626 1.937 1.00 1.41 H new ATOM 0 HG3 GLN A 34 5.283 10.416 1.854 1.00 1.41 H new ATOM 0 HE21 GLN A 34 3.819 11.927 -0.058 1.00 2.78 H new ATOM 0 HE22 GLN A 34 3.959 11.097 -1.611 1.00 2.78 H new ATOM 543 N TYR A 35 1.303 8.384 0.626 1.00 0.73 N ATOM 544 CA TYR A 35 0.493 7.878 -0.471 1.00 0.74 C ATOM 545 C TYR A 35 1.027 8.394 -1.794 1.00 0.84 C ATOM 546 O TYR A 35 1.497 9.525 -1.884 1.00 0.95 O ATOM 547 CB TYR A 35 -0.978 8.232 -0.269 1.00 0.80 C ATOM 548 CG TYR A 35 -1.937 7.303 -0.986 1.00 1.01 C ATOM 549 CD1 TYR A 35 -2.260 7.520 -2.340 1.00 1.65 C ATOM 550 CD2 TYR A 35 -2.632 6.329 -0.252 1.00 2.53 C ATOM 551 CE1 TYR A 35 -3.340 6.837 -2.922 1.00 1.58 C ATOM 552 CE2 TYR A 35 -3.703 5.642 -0.837 1.00 2.95 C ATOM 553 CZ TYR A 35 -4.087 5.937 -2.149 1.00 1.79 C ATOM 554 OH TYR A 35 -5.220 5.374 -2.634 1.00 2.32 O ATOM 0 H TYR A 35 1.275 9.398 0.733 1.00 0.73 H new ATOM 0 HA TYR A 35 0.558 6.790 -0.488 1.00 0.74 H new ATOM 0 HB2 TYR A 35 -1.202 8.217 0.798 1.00 0.80 H new ATOM 0 HB3 TYR A 35 -1.147 9.251 -0.616 1.00 0.80 H new ATOM 0 HD1 TYR A 35 -1.677 8.212 -2.930 1.00 1.65 H new ATOM 0 HD2 TYR A 35 -2.341 6.109 0.764 1.00 2.53 H new ATOM 0 HE1 TYR A 35 -3.594 7.004 -3.958 1.00 1.58 H new ATOM 0 HE2 TYR A 35 -4.232 4.886 -0.276 1.00 2.95 H new ATOM 0 HH TYR A 35 -5.603 4.776 -1.959 1.00 2.32 H new ATOM 564 N VAL A 36 0.944 7.544 -2.807 1.00 0.95 N ATOM 565 CA VAL A 36 1.472 7.734 -4.133 1.00 1.09 C ATOM 566 C VAL A 36 0.353 7.370 -5.110 1.00 1.20 C ATOM 567 O VAL A 36 -0.042 6.209 -5.197 1.00 1.30 O ATOM 568 CB VAL A 36 2.720 6.838 -4.280 1.00 1.08 C ATOM 569 CG1 VAL A 36 3.169 6.646 -5.736 1.00 1.44 C ATOM 570 CG2 VAL A 36 3.884 7.447 -3.490 1.00 1.02 C ATOM 0 H VAL A 36 0.472 6.645 -2.708 1.00 0.95 H new ATOM 0 HA VAL A 36 1.784 8.759 -4.334 1.00 1.09 H new ATOM 0 HB VAL A 36 2.441 5.858 -3.892 1.00 1.08 H new ATOM 0 HG11 VAL A 36 4.051 6.006 -5.763 1.00 1.44 H new ATOM 0 HG12 VAL A 36 2.365 6.181 -6.306 1.00 1.44 H new ATOM 0 HG13 VAL A 36 3.410 7.615 -6.173 1.00 1.44 H new ATOM 0 HG21 VAL A 36 4.765 6.814 -3.594 1.00 1.02 H new ATOM 0 HG22 VAL A 36 4.105 8.442 -3.876 1.00 1.02 H new ATOM 0 HG23 VAL A 36 3.611 7.519 -2.437 1.00 1.02 H new ATOM 580 N ASP A 37 -0.161 8.342 -5.862 1.00 1.36 N ATOM 581 CA ASP A 37 -0.888 8.048 -7.090 1.00 1.44 C ATOM 582 C ASP A 37 0.087 7.914 -8.237 1.00 1.16 C ATOM 583 O ASP A 37 0.854 8.826 -8.523 1.00 1.13 O ATOM 584 CB ASP A 37 -2.021 9.025 -7.410 1.00 1.89 C ATOM 585 CG ASP A 37 -3.162 8.957 -6.429 1.00 2.43 C ATOM 586 OD1 ASP A 37 -3.154 9.637 -5.388 1.00 2.35 O ATOM 587 OD2 ASP A 37 -4.138 8.254 -6.784 1.00 3.87 O ATOM 0 H ASP A 37 -0.087 9.335 -5.641 1.00 1.36 H new ATOM 0 HA ASP A 37 -1.398 7.098 -6.932 1.00 1.44 H new ATOM 0 HB2 ASP A 37 -1.623 10.040 -7.424 1.00 1.89 H new ATOM 0 HB3 ASP A 37 -2.399 8.817 -8.411 1.00 1.89 H new ATOM 592 N ILE A 38 0.077 6.761 -8.892 1.00 1.16 N ATOM 593 CA ILE A 38 0.992 6.510 -9.984 1.00 1.07 C ATOM 594 C ILE A 38 0.708 7.424 -11.173 1.00 1.18 C ATOM 595 O ILE A 38 1.644 8.001 -11.718 1.00 1.19 O ATOM 596 CB ILE A 38 0.975 5.025 -10.350 1.00 1.40 C ATOM 597 CG1 ILE A 38 -0.434 4.430 -10.502 1.00 1.79 C ATOM 598 CG2 ILE A 38 1.741 4.250 -9.273 1.00 1.53 C ATOM 599 CD1 ILE A 38 -0.484 3.387 -11.617 1.00 2.21 C ATOM 0 H ILE A 38 -0.556 5.989 -8.682 1.00 1.16 H new ATOM 0 HA ILE A 38 2.005 6.752 -9.662 1.00 1.07 H new ATOM 0 HB ILE A 38 1.446 4.935 -11.329 1.00 1.40 H new ATOM 0 HG12 ILE A 38 -0.741 3.973 -9.561 1.00 1.79 H new ATOM 0 HG13 ILE A 38 -1.146 5.227 -10.716 1.00 1.79 H new ATOM 0 HG21 ILE A 38 1.739 3.188 -9.518 1.00 1.53 H new ATOM 0 HG22 ILE A 38 2.769 4.610 -9.227 1.00 1.53 H new ATOM 0 HG23 ILE A 38 1.261 4.400 -8.306 1.00 1.53 H new ATOM 0 HD11 ILE A 38 -1.495 2.987 -11.696 1.00 2.21 H new ATOM 0 HD12 ILE A 38 -0.202 3.851 -12.562 1.00 2.21 H new ATOM 0 HD13 ILE A 38 0.209 2.577 -11.389 1.00 2.21 H new ATOM 611 N ARG A 39 -0.561 7.611 -11.545 1.00 1.64 N ATOM 612 CA ARG A 39 -0.957 8.560 -12.584 1.00 1.77 C ATOM 613 C ARG A 39 -1.027 9.961 -11.975 1.00 1.58 C ATOM 614 O ARG A 39 -2.061 10.630 -11.986 1.00 2.28 O ATOM 615 CB ARG A 39 -2.231 8.135 -13.347 1.00 2.70 C ATOM 616 CG ARG A 39 -2.866 6.819 -12.895 1.00 3.78 C ATOM 617 CD ARG A 39 -3.690 7.004 -11.618 1.00 3.72 C ATOM 618 NE ARG A 39 -3.906 5.692 -10.995 1.00 4.87 N ATOM 619 CZ ARG A 39 -3.637 5.368 -9.727 1.00 5.99 C ATOM 620 NH1 ARG A 39 -3.476 6.307 -8.791 1.00 6.18 N ATOM 621 NH2 ARG A 39 -3.503 4.084 -9.414 1.00 7.35 N ATOM 0 H ARG A 39 -1.344 7.106 -11.131 1.00 1.64 H new ATOM 0 HA ARG A 39 -0.196 8.570 -13.364 1.00 1.77 H new ATOM 0 HB2 ARG A 39 -2.973 8.928 -13.249 1.00 2.70 H new ATOM 0 HB3 ARG A 39 -1.988 8.055 -14.407 1.00 2.70 H new ATOM 0 HG2 ARG A 39 -3.505 6.430 -13.688 1.00 3.78 H new ATOM 0 HG3 ARG A 39 -2.086 6.078 -12.722 1.00 3.78 H new ATOM 0 HD2 ARG A 39 -3.170 7.668 -10.927 1.00 3.72 H new ATOM 0 HD3 ARG A 39 -4.646 7.472 -11.851 1.00 3.72 H new ATOM 0 HE ARG A 39 -4.298 4.959 -11.586 1.00 4.87 H new ATOM 0 HH11 ARG A 39 -3.558 7.293 -9.038 1.00 6.18 H new ATOM 0 HH12 ARG A 39 -3.271 6.038 -7.829 1.00 6.18 H new ATOM 0 HH21 ARG A 39 -3.606 3.370 -10.135 1.00 7.35 H new ATOM 0 HH22 ARG A 39 -3.298 3.812 -8.453 1.00 7.35 H new ATOM 635 N ALA A 40 0.108 10.380 -11.434 1.00 1.52 N ATOM 636 CA ALA A 40 0.423 11.737 -11.048 1.00 1.56 C ATOM 637 C ALA A 40 1.901 11.903 -11.383 1.00 1.37 C ATOM 638 O ALA A 40 2.271 12.721 -12.223 1.00 1.57 O ATOM 639 CB ALA A 40 0.100 11.975 -9.575 1.00 1.81 C ATOM 0 H ALA A 40 0.877 9.737 -11.244 1.00 1.52 H new ATOM 0 HA ALA A 40 -0.173 12.481 -11.576 1.00 1.56 H new ATOM 0 HB1 ALA A 40 0.346 13.003 -9.310 1.00 1.81 H new ATOM 0 HB2 ALA A 40 -0.962 11.800 -9.403 1.00 1.81 H new ATOM 0 HB3 ALA A 40 0.685 11.292 -8.959 1.00 1.81 H new ATOM 645 N GLU A 41 2.739 11.026 -10.835 1.00 1.19 N ATOM 646 CA GLU A 41 4.163 11.016 -11.113 1.00 1.43 C ATOM 647 C GLU A 41 4.335 10.457 -12.532 1.00 1.46 C ATOM 648 O GLU A 41 4.821 11.152 -13.425 1.00 1.96 O ATOM 649 CB GLU A 41 4.852 10.189 -10.017 1.00 1.51 C ATOM 650 CG GLU A 41 5.094 10.943 -8.693 1.00 2.21 C ATOM 651 CD GLU A 41 4.114 12.046 -8.352 1.00 3.61 C ATOM 652 OE1 GLU A 41 2.921 11.739 -8.184 1.00 4.41 O ATOM 653 OE2 GLU A 41 4.562 13.194 -8.147 1.00 4.82 O ATOM 0 H GLU A 41 2.442 10.300 -10.183 1.00 1.19 H new ATOM 0 HA GLU A 41 4.626 12.002 -11.092 1.00 1.43 H new ATOM 0 HB2 GLU A 41 4.245 9.307 -9.811 1.00 1.51 H new ATOM 0 HB3 GLU A 41 5.810 9.834 -10.397 1.00 1.51 H new ATOM 0 HG2 GLU A 41 5.085 10.216 -7.881 1.00 2.21 H new ATOM 0 HG3 GLU A 41 6.095 11.374 -8.724 1.00 2.21 H new ATOM 660 N GLY A 42 3.789 9.273 -12.798 1.00 1.30 N ATOM 661 CA GLY A 42 3.521 8.793 -14.149 1.00 1.26 C ATOM 662 C GLY A 42 3.830 7.314 -14.331 1.00 1.15 C ATOM 663 O GLY A 42 4.305 6.908 -15.389 1.00 1.37 O ATOM 0 H GLY A 42 3.517 8.612 -12.071 1.00 1.30 H new ATOM 0 HA2 GLY A 42 2.473 8.971 -14.390 1.00 1.26 H new ATOM 0 HA3 GLY A 42 4.114 9.371 -14.858 1.00 1.26 H new ATOM 667 N ILE A 43 3.536 6.494 -13.330 1.00 1.04 N ATOM 668 CA ILE A 43 3.738 5.054 -13.404 1.00 0.91 C ATOM 669 C ILE A 43 2.476 4.420 -14.008 1.00 0.94 C ATOM 670 O ILE A 43 1.395 5.013 -13.947 1.00 1.19 O ATOM 671 CB ILE A 43 4.152 4.546 -12.005 1.00 0.92 C ATOM 672 CG1 ILE A 43 5.679 4.585 -11.847 1.00 1.36 C ATOM 673 CG2 ILE A 43 3.698 3.116 -11.700 1.00 0.88 C ATOM 674 CD1 ILE A 43 6.272 5.988 -11.955 1.00 1.65 C ATOM 0 H ILE A 43 3.149 6.811 -12.441 1.00 1.04 H new ATOM 0 HA ILE A 43 4.553 4.763 -14.067 1.00 0.91 H new ATOM 0 HB ILE A 43 3.654 5.218 -11.306 1.00 0.92 H new ATOM 0 HG12 ILE A 43 5.946 4.161 -10.879 1.00 1.36 H new ATOM 0 HG13 ILE A 43 6.131 3.950 -12.609 1.00 1.36 H new ATOM 0 HG21 ILE A 43 4.028 2.835 -10.700 1.00 0.88 H new ATOM 0 HG22 ILE A 43 2.611 3.060 -11.752 1.00 0.88 H new ATOM 0 HG23 ILE A 43 4.132 2.433 -12.430 1.00 0.88 H new ATOM 0 HD11 ILE A 43 7.354 5.936 -11.833 1.00 1.65 H new ATOM 0 HD12 ILE A 43 6.037 6.408 -12.933 1.00 1.65 H new ATOM 0 HD13 ILE A 43 5.849 6.623 -11.176 1.00 1.65 H new ATOM 686 N THR A 44 2.615 3.253 -14.636 1.00 0.86 N ATOM 687 CA THR A 44 1.537 2.510 -15.275 1.00 0.93 C ATOM 688 C THR A 44 1.128 1.320 -14.397 1.00 0.84 C ATOM 689 O THR A 44 1.804 0.997 -13.423 1.00 0.75 O ATOM 690 CB THR A 44 1.991 2.064 -16.676 1.00 1.03 C ATOM 691 OG1 THR A 44 2.971 1.056 -16.589 1.00 1.00 O ATOM 692 CG2 THR A 44 2.586 3.225 -17.475 1.00 1.38 C ATOM 0 H THR A 44 3.517 2.784 -14.715 1.00 0.86 H new ATOM 0 HA THR A 44 0.659 3.145 -15.390 1.00 0.93 H new ATOM 0 HB THR A 44 1.102 1.689 -17.183 1.00 1.03 H new ATOM 0 HG1 THR A 44 3.244 0.786 -17.491 1.00 1.00 H new ATOM 0 HG21 THR A 44 2.895 2.870 -18.458 1.00 1.38 H new ATOM 0 HG22 THR A 44 1.837 4.008 -17.591 1.00 1.38 H new ATOM 0 HG23 THR A 44 3.451 3.625 -16.946 1.00 1.38 H new ATOM 700 N LYS A 45 0.029 0.649 -14.740 1.00 0.99 N ATOM 701 CA LYS A 45 -0.439 -0.566 -14.097 1.00 1.06 C ATOM 702 C LYS A 45 0.558 -1.712 -14.311 1.00 0.97 C ATOM 703 O LYS A 45 0.872 -2.481 -13.406 1.00 0.98 O ATOM 704 CB LYS A 45 -1.810 -0.868 -14.709 1.00 1.36 C ATOM 705 CG LYS A 45 -2.639 -1.817 -13.845 1.00 1.40 C ATOM 706 CD LYS A 45 -4.100 -1.840 -14.316 1.00 2.26 C ATOM 707 CE LYS A 45 -4.250 -2.526 -15.685 1.00 3.41 C ATOM 708 NZ LYS A 45 -5.187 -1.835 -16.584 1.00 4.31 N ATOM 0 H LYS A 45 -0.578 0.952 -15.502 1.00 0.99 H new ATOM 0 HA LYS A 45 -0.524 -0.448 -13.017 1.00 1.06 H new ATOM 0 HB2 LYS A 45 -2.357 0.065 -14.846 1.00 1.36 H new ATOM 0 HB3 LYS A 45 -1.675 -1.306 -15.698 1.00 1.36 H new ATOM 0 HG2 LYS A 45 -2.220 -2.822 -13.894 1.00 1.40 H new ATOM 0 HG3 LYS A 45 -2.592 -1.503 -12.802 1.00 1.40 H new ATOM 0 HD2 LYS A 45 -4.711 -2.362 -13.579 1.00 2.26 H new ATOM 0 HD3 LYS A 45 -4.478 -0.819 -14.378 1.00 2.26 H new ATOM 0 HE2 LYS A 45 -3.273 -2.582 -16.164 1.00 3.41 H new ATOM 0 HE3 LYS A 45 -4.591 -3.550 -15.535 1.00 3.41 H new ATOM 0 HZ1 LYS A 45 -5.243 -2.347 -17.488 1.00 4.31 H new ATOM 0 HZ2 LYS A 45 -6.129 -1.803 -16.145 1.00 4.31 H new ATOM 0 HZ3 LYS A 45 -4.852 -0.865 -16.756 1.00 4.31 H new ATOM 722 N GLU A 46 1.071 -1.814 -15.531 1.00 0.95 N ATOM 723 CA GLU A 46 2.099 -2.767 -15.881 1.00 0.90 C ATOM 724 C GLU A 46 3.353 -2.490 -15.049 1.00 0.78 C ATOM 725 O GLU A 46 3.910 -3.384 -14.411 1.00 0.77 O ATOM 726 CB GLU A 46 2.389 -2.678 -17.388 1.00 0.96 C ATOM 727 CG GLU A 46 1.413 -1.816 -18.207 1.00 2.28 C ATOM 728 CD GLU A 46 1.728 -1.830 -19.681 1.00 2.22 C ATOM 729 OE1 GLU A 46 2.381 -2.792 -20.140 1.00 2.15 O ATOM 730 OE2 GLU A 46 1.295 -0.871 -20.354 1.00 3.36 O ATOM 0 H GLU A 46 0.776 -1.226 -16.310 1.00 0.95 H new ATOM 0 HA GLU A 46 1.764 -3.781 -15.662 1.00 0.90 H new ATOM 0 HB2 GLU A 46 3.395 -2.281 -17.523 1.00 0.96 H new ATOM 0 HB3 GLU A 46 2.386 -3.687 -17.800 1.00 0.96 H new ATOM 0 HG2 GLU A 46 0.396 -2.178 -18.053 1.00 2.28 H new ATOM 0 HG3 GLU A 46 1.445 -0.790 -17.842 1.00 2.28 H new ATOM 737 N ASP A 47 3.796 -1.231 -15.071 1.00 0.76 N ATOM 738 CA ASP A 47 5.015 -0.812 -14.400 1.00 0.73 C ATOM 739 C ASP A 47 4.880 -1.115 -12.918 1.00 0.67 C ATOM 740 O ASP A 47 5.806 -1.632 -12.313 1.00 0.66 O ATOM 741 CB ASP A 47 5.225 0.686 -14.545 1.00 0.82 C ATOM 742 CG ASP A 47 6.452 1.111 -13.770 1.00 0.91 C ATOM 743 OD1 ASP A 47 6.369 1.388 -12.564 1.00 1.74 O ATOM 744 OD2 ASP A 47 7.541 1.091 -14.383 1.00 2.36 O ATOM 0 H ASP A 47 3.313 -0.476 -15.558 1.00 0.76 H new ATOM 0 HA ASP A 47 5.856 -1.343 -14.846 1.00 0.73 H new ATOM 0 HB2 ASP A 47 5.341 0.946 -15.597 1.00 0.82 H new ATOM 0 HB3 ASP A 47 4.349 1.222 -14.179 1.00 0.82 H new ATOM 749 N LEU A 48 3.718 -0.806 -12.351 1.00 0.70 N ATOM 750 CA LEU A 48 3.338 -1.179 -11.000 1.00 0.74 C ATOM 751 C LEU A 48 3.690 -2.636 -10.698 1.00 0.64 C ATOM 752 O LEU A 48 4.244 -2.925 -9.640 1.00 0.69 O ATOM 753 CB LEU A 48 1.833 -0.944 -10.796 1.00 0.85 C ATOM 754 CG LEU A 48 1.471 0.364 -10.097 1.00 1.05 C ATOM 755 CD1 LEU A 48 -0.057 0.503 -10.040 1.00 1.24 C ATOM 756 CD2 LEU A 48 1.967 0.453 -8.655 1.00 1.20 C ATOM 0 H LEU A 48 2.996 -0.273 -12.836 1.00 0.70 H new ATOM 0 HA LEU A 48 3.900 -0.552 -10.308 1.00 0.74 H new ATOM 0 HB2 LEU A 48 1.342 -0.966 -11.769 1.00 0.85 H new ATOM 0 HB3 LEU A 48 1.427 -1.773 -10.216 1.00 0.85 H new ATOM 0 HG LEU A 48 1.952 1.150 -10.678 1.00 1.05 H new ATOM 0 HD11 LEU A 48 -0.319 1.436 -9.541 1.00 1.24 H new ATOM 0 HD12 LEU A 48 -0.460 0.507 -11.053 1.00 1.24 H new ATOM 0 HD13 LEU A 48 -0.478 -0.335 -9.485 1.00 1.24 H new ATOM 0 HD21 LEU A 48 1.671 1.411 -8.227 1.00 1.20 H new ATOM 0 HD22 LEU A 48 1.531 -0.357 -8.070 1.00 1.20 H new ATOM 0 HD23 LEU A 48 3.054 0.369 -8.638 1.00 1.20 H new ATOM 768 N GLN A 49 3.356 -3.578 -11.577 1.00 0.60 N ATOM 769 CA GLN A 49 3.693 -4.974 -11.386 1.00 0.56 C ATOM 770 C GLN A 49 5.209 -5.160 -11.338 1.00 0.57 C ATOM 771 O GLN A 49 5.733 -5.885 -10.496 1.00 0.65 O ATOM 772 CB GLN A 49 2.986 -5.792 -12.474 1.00 0.70 C ATOM 773 CG GLN A 49 3.907 -6.648 -13.348 1.00 0.82 C ATOM 774 CD GLN A 49 3.118 -7.568 -14.262 1.00 1.12 C ATOM 775 OE1 GLN A 49 3.345 -8.776 -14.293 1.00 1.95 O ATOM 776 NE2 GLN A 49 2.176 -7.013 -15.005 1.00 1.67 N ATOM 0 H GLN A 49 2.845 -3.388 -12.439 1.00 0.60 H new ATOM 0 HA GLN A 49 3.338 -5.341 -10.423 1.00 0.56 H new ATOM 0 HB2 GLN A 49 2.254 -6.444 -11.998 1.00 0.70 H new ATOM 0 HB3 GLN A 49 2.432 -5.109 -13.118 1.00 0.70 H new ATOM 0 HG2 GLN A 49 4.546 -6.000 -13.948 1.00 0.82 H new ATOM 0 HG3 GLN A 49 4.563 -7.242 -12.712 1.00 0.82 H new ATOM 0 HE21 GLN A 49 2.014 -6.007 -14.955 1.00 1.67 H new ATOM 0 HE22 GLN A 49 1.612 -7.591 -15.628 1.00 1.67 H new ATOM 785 N GLN A 50 5.919 -4.500 -12.245 1.00 0.58 N ATOM 786 CA GLN A 50 7.369 -4.551 -12.313 1.00 0.69 C ATOM 787 C GLN A 50 7.980 -3.942 -11.040 1.00 0.85 C ATOM 788 O GLN A 50 8.963 -4.454 -10.509 1.00 1.12 O ATOM 789 CB GLN A 50 7.789 -3.848 -13.607 1.00 0.72 C ATOM 790 CG GLN A 50 9.295 -3.806 -13.851 1.00 1.51 C ATOM 791 CD GLN A 50 9.560 -3.084 -15.164 1.00 2.56 C ATOM 792 OE1 GLN A 50 9.890 -3.702 -16.173 1.00 2.96 O ATOM 793 NE2 GLN A 50 9.364 -1.772 -15.186 1.00 4.02 N ATOM 0 H GLN A 50 5.497 -3.909 -12.961 1.00 0.58 H new ATOM 0 HA GLN A 50 7.744 -5.574 -12.347 1.00 0.69 H new ATOM 0 HB2 GLN A 50 7.312 -4.351 -14.449 1.00 0.72 H new ATOM 0 HB3 GLN A 50 7.409 -2.827 -13.589 1.00 0.72 H new ATOM 0 HG2 GLN A 50 9.796 -3.292 -13.030 1.00 1.51 H new ATOM 0 HG3 GLN A 50 9.699 -4.817 -13.888 1.00 1.51 H new ATOM 0 HE21 GLN A 50 9.090 -1.283 -14.334 1.00 4.02 H new ATOM 0 HE22 GLN A 50 9.487 -1.252 -16.055 1.00 4.02 H new ATOM 802 N LYS A 51 7.380 -2.869 -10.526 1.00 0.86 N ATOM 803 CA LYS A 51 7.763 -2.177 -9.307 1.00 1.13 C ATOM 804 C LYS A 51 7.616 -3.178 -8.162 1.00 1.01 C ATOM 805 O LYS A 51 8.530 -3.384 -7.370 1.00 1.17 O ATOM 806 CB LYS A 51 6.840 -0.951 -9.106 1.00 1.32 C ATOM 807 CG LYS A 51 7.470 0.282 -8.440 1.00 1.93 C ATOM 808 CD LYS A 51 8.374 -0.038 -7.243 1.00 1.76 C ATOM 809 CE LYS A 51 8.576 1.150 -6.288 1.00 1.94 C ATOM 810 NZ LYS A 51 7.484 1.345 -5.309 1.00 3.14 N ATOM 0 H LYS A 51 6.571 -2.440 -10.977 1.00 0.86 H new ATOM 0 HA LYS A 51 8.789 -1.813 -9.350 1.00 1.13 H new ATOM 0 HB2 LYS A 51 6.454 -0.652 -10.080 1.00 1.32 H new ATOM 0 HB3 LYS A 51 5.985 -1.263 -8.506 1.00 1.32 H new ATOM 0 HG2 LYS A 51 8.052 0.825 -9.185 1.00 1.93 H new ATOM 0 HG3 LYS A 51 6.673 0.949 -8.110 1.00 1.93 H new ATOM 0 HD2 LYS A 51 7.945 -0.871 -6.687 1.00 1.76 H new ATOM 0 HD3 LYS A 51 9.346 -0.367 -7.610 1.00 1.76 H new ATOM 0 HE2 LYS A 51 9.511 1.009 -5.746 1.00 1.94 H new ATOM 0 HE3 LYS A 51 8.684 2.060 -6.878 1.00 1.94 H new ATOM 0 HZ1 LYS A 51 7.882 1.671 -4.405 1.00 3.14 H new ATOM 0 HZ2 LYS A 51 6.817 2.056 -5.670 1.00 3.14 H new ATOM 0 HZ3 LYS A 51 6.984 0.445 -5.162 1.00 3.14 H new ATOM 824 N ALA A 52 6.440 -3.797 -8.090 1.00 0.81 N ATOM 825 CA ALA A 52 6.091 -4.804 -7.108 1.00 0.79 C ATOM 826 C ALA A 52 6.999 -6.024 -7.212 1.00 0.81 C ATOM 827 O ALA A 52 7.280 -6.683 -6.214 1.00 0.97 O ATOM 828 CB ALA A 52 4.630 -5.202 -7.310 1.00 0.72 C ATOM 0 H ALA A 52 5.680 -3.599 -8.741 1.00 0.81 H new ATOM 0 HA ALA A 52 6.227 -4.388 -6.110 1.00 0.79 H new ATOM 0 HB1 ALA A 52 4.355 -5.960 -6.577 1.00 0.72 H new ATOM 0 HB2 ALA A 52 3.993 -4.326 -7.183 1.00 0.72 H new ATOM 0 HB3 ALA A 52 4.498 -5.604 -8.314 1.00 0.72 H new ATOM 834 N GLY A 53 7.433 -6.344 -8.426 1.00 0.78 N ATOM 835 CA GLY A 53 8.157 -7.559 -8.729 1.00 0.89 C ATOM 836 C GLY A 53 7.270 -8.778 -8.496 1.00 0.92 C ATOM 837 O GLY A 53 7.719 -9.789 -7.952 1.00 1.17 O ATOM 0 H GLY A 53 7.285 -5.748 -9.241 1.00 0.78 H new ATOM 0 HA2 GLY A 53 8.495 -7.540 -9.765 1.00 0.89 H new ATOM 0 HA3 GLY A 53 9.048 -7.625 -8.104 1.00 0.89 H new ATOM 841 N LYS A 54 6.008 -8.686 -8.910 1.00 0.81 N ATOM 842 CA LYS A 54 5.081 -9.809 -8.938 1.00 0.96 C ATOM 843 C LYS A 54 3.967 -9.475 -9.933 1.00 0.85 C ATOM 844 O LYS A 54 3.724 -8.291 -10.176 1.00 0.70 O ATOM 845 CB LYS A 54 4.587 -10.158 -7.512 1.00 1.17 C ATOM 846 CG LYS A 54 3.840 -9.081 -6.709 1.00 1.64 C ATOM 847 CD LYS A 54 2.341 -8.933 -7.019 1.00 2.49 C ATOM 848 CE LYS A 54 1.465 -10.121 -6.586 1.00 2.87 C ATOM 849 NZ LYS A 54 1.053 -10.103 -5.168 1.00 3.08 N ATOM 0 H LYS A 54 5.597 -7.813 -9.240 1.00 0.81 H new ATOM 0 HA LYS A 54 5.570 -10.720 -9.283 1.00 0.96 H new ATOM 0 HB2 LYS A 54 3.932 -11.026 -7.591 1.00 1.17 H new ATOM 0 HB3 LYS A 54 5.454 -10.465 -6.927 1.00 1.17 H new ATOM 0 HG2 LYS A 54 3.952 -9.303 -5.648 1.00 1.64 H new ATOM 0 HG3 LYS A 54 4.325 -8.121 -6.886 1.00 1.64 H new ATOM 0 HD2 LYS A 54 1.972 -8.032 -6.529 1.00 2.49 H new ATOM 0 HD3 LYS A 54 2.221 -8.785 -8.092 1.00 2.49 H new ATOM 0 HE2 LYS A 54 0.571 -10.141 -7.209 1.00 2.87 H new ATOM 0 HE3 LYS A 54 2.009 -11.045 -6.780 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 0.468 -10.938 -4.966 1.00 3.08 H new ATOM 0 HZ2 LYS A 54 1.897 -10.117 -4.561 1.00 3.08 H new ATOM 0 HZ3 LYS A 54 0.504 -9.241 -4.977 1.00 3.08 H new ATOM 863 N PRO A 55 3.269 -10.469 -10.504 1.00 0.99 N ATOM 864 CA PRO A 55 2.167 -10.216 -11.406 1.00 0.98 C ATOM 865 C PRO A 55 0.967 -9.746 -10.589 1.00 0.98 C ATOM 866 O PRO A 55 0.177 -10.554 -10.096 1.00 1.42 O ATOM 867 CB PRO A 55 1.930 -11.534 -12.147 1.00 1.23 C ATOM 868 CG PRO A 55 2.375 -12.590 -11.137 1.00 1.40 C ATOM 869 CD PRO A 55 3.495 -11.896 -10.359 1.00 1.25 C ATOM 0 HA PRO A 55 2.361 -9.429 -12.135 1.00 0.98 H new ATOM 0 HB2 PRO A 55 0.883 -11.658 -12.423 1.00 1.23 H new ATOM 0 HB3 PRO A 55 2.511 -11.588 -13.068 1.00 1.23 H new ATOM 0 HG2 PRO A 55 1.557 -12.888 -10.481 1.00 1.40 H new ATOM 0 HG3 PRO A 55 2.731 -13.493 -11.632 1.00 1.40 H new ATOM 0 HD2 PRO A 55 3.477 -12.188 -9.309 1.00 1.25 H new ATOM 0 HD3 PRO A 55 4.472 -12.177 -10.751 1.00 1.25 H new ATOM 877 N VAL A 56 0.857 -8.432 -10.417 1.00 0.81 N ATOM 878 CA VAL A 56 -0.325 -7.754 -9.924 1.00 0.86 C ATOM 879 C VAL A 56 -0.887 -6.911 -11.052 1.00 1.01 C ATOM 880 O VAL A 56 -0.148 -6.324 -11.835 1.00 1.27 O ATOM 881 CB VAL A 56 -0.026 -6.907 -8.675 1.00 0.91 C ATOM 882 CG1 VAL A 56 1.292 -6.135 -8.752 1.00 1.05 C ATOM 883 CG2 VAL A 56 -1.137 -5.918 -8.298 1.00 1.35 C ATOM 0 H VAL A 56 1.622 -7.791 -10.627 1.00 0.81 H new ATOM 0 HA VAL A 56 -1.063 -8.492 -9.610 1.00 0.86 H new ATOM 0 HB VAL A 56 0.046 -7.665 -7.895 1.00 0.91 H new ATOM 0 HG11 VAL A 56 1.432 -5.562 -7.835 1.00 1.05 H new ATOM 0 HG12 VAL A 56 2.118 -6.836 -8.872 1.00 1.05 H new ATOM 0 HG13 VAL A 56 1.266 -5.456 -9.604 1.00 1.05 H new ATOM 0 HG21 VAL A 56 -0.843 -5.363 -7.407 1.00 1.35 H new ATOM 0 HG22 VAL A 56 -1.300 -5.223 -9.121 1.00 1.35 H new ATOM 0 HG23 VAL A 56 -2.058 -6.465 -8.097 1.00 1.35 H new ATOM 893 N GLU A 57 -2.208 -6.853 -11.076 1.00 1.09 N ATOM 894 CA GLU A 57 -2.985 -5.941 -11.893 1.00 1.33 C ATOM 895 C GLU A 57 -3.745 -4.998 -10.957 1.00 1.37 C ATOM 896 O GLU A 57 -3.997 -3.841 -11.287 1.00 1.99 O ATOM 897 CB GLU A 57 -3.944 -6.762 -12.769 1.00 1.60 C ATOM 898 CG GLU A 57 -4.384 -6.006 -14.026 1.00 2.22 C ATOM 899 CD GLU A 57 -3.272 -5.975 -15.054 1.00 2.94 C ATOM 900 OE1 GLU A 57 -3.074 -7.023 -15.704 1.00 3.32 O ATOM 901 OE2 GLU A 57 -2.643 -4.919 -15.227 1.00 4.05 O ATOM 0 H GLU A 57 -2.790 -7.465 -10.504 1.00 1.09 H new ATOM 0 HA GLU A 57 -2.350 -5.347 -12.550 1.00 1.33 H new ATOM 0 HB2 GLU A 57 -3.458 -7.693 -13.061 1.00 1.60 H new ATOM 0 HB3 GLU A 57 -4.824 -7.032 -12.185 1.00 1.60 H new ATOM 0 HG2 GLU A 57 -5.266 -6.484 -14.453 1.00 2.22 H new ATOM 0 HG3 GLU A 57 -4.669 -4.988 -13.762 1.00 2.22 H new ATOM 908 N THR A 58 -4.138 -5.502 -9.784 1.00 1.13 N ATOM 909 CA THR A 58 -5.089 -4.801 -8.947 1.00 1.13 C ATOM 910 C THR A 58 -4.386 -3.746 -8.091 1.00 0.99 C ATOM 911 O THR A 58 -3.383 -4.030 -7.431 1.00 1.10 O ATOM 912 CB THR A 58 -5.871 -5.806 -8.085 1.00 1.28 C ATOM 913 OG1 THR A 58 -4.994 -6.690 -7.413 1.00 1.34 O ATOM 914 CG2 THR A 58 -6.818 -6.644 -8.945 1.00 1.60 C ATOM 0 H THR A 58 -3.809 -6.389 -9.402 1.00 1.13 H new ATOM 0 HA THR A 58 -5.802 -4.276 -9.583 1.00 1.13 H new ATOM 0 HB THR A 58 -6.441 -5.225 -7.360 1.00 1.28 H new ATOM 0 HG1 THR A 58 -5.515 -7.318 -6.870 1.00 1.34 H new ATOM 0 HG21 THR A 58 -7.359 -7.347 -8.311 1.00 1.60 H new ATOM 0 HG22 THR A 58 -7.528 -5.988 -9.449 1.00 1.60 H new ATOM 0 HG23 THR A 58 -6.242 -7.195 -9.689 1.00 1.60 H new ATOM 922 N VAL A 59 -4.962 -2.553 -8.021 1.00 1.31 N ATOM 923 CA VAL A 59 -4.562 -1.512 -7.094 1.00 1.01 C ATOM 924 C VAL A 59 -5.267 -1.804 -5.760 1.00 1.02 C ATOM 925 O VAL A 59 -6.255 -2.545 -5.737 1.00 1.28 O ATOM 926 CB VAL A 59 -4.948 -0.132 -7.675 1.00 1.01 C ATOM 927 CG1 VAL A 59 -4.062 0.206 -8.880 1.00 1.61 C ATOM 928 CG2 VAL A 59 -6.425 -0.030 -8.097 1.00 1.27 C ATOM 0 H VAL A 59 -5.738 -2.280 -8.623 1.00 1.31 H new ATOM 0 HA VAL A 59 -3.484 -1.495 -6.933 1.00 1.01 H new ATOM 0 HB VAL A 59 -4.792 0.583 -6.867 1.00 1.01 H new ATOM 0 HG11 VAL A 59 -4.346 1.180 -9.278 1.00 1.61 H new ATOM 0 HG12 VAL A 59 -3.018 0.231 -8.568 1.00 1.61 H new ATOM 0 HG13 VAL A 59 -4.192 -0.553 -9.651 1.00 1.61 H new ATOM 0 HG21 VAL A 59 -6.622 0.966 -8.495 1.00 1.27 H new ATOM 0 HG22 VAL A 59 -6.637 -0.775 -8.864 1.00 1.27 H new ATOM 0 HG23 VAL A 59 -7.064 -0.208 -7.232 1.00 1.27 H new ATOM 938 N PRO A 60 -4.784 -1.265 -4.632 1.00 0.93 N ATOM 939 CA PRO A 60 -3.573 -0.482 -4.479 1.00 0.72 C ATOM 940 C PRO A 60 -2.388 -1.420 -4.244 1.00 0.65 C ATOM 941 O PRO A 60 -2.557 -2.636 -4.150 1.00 0.77 O ATOM 942 CB PRO A 60 -3.854 0.376 -3.242 1.00 0.79 C ATOM 943 CG PRO A 60 -4.674 -0.560 -2.350 1.00 0.98 C ATOM 944 CD PRO A 60 -5.382 -1.497 -3.334 1.00 1.21 C ATOM 0 HA PRO A 60 -3.325 0.122 -5.351 1.00 0.72 H new ATOM 0 HB2 PRO A 60 -2.933 0.694 -2.754 1.00 0.79 H new ATOM 0 HB3 PRO A 60 -4.408 1.280 -3.495 1.00 0.79 H new ATOM 0 HG2 PRO A 60 -4.036 -1.114 -1.662 1.00 0.98 H new ATOM 0 HG3 PRO A 60 -5.390 -0.005 -1.744 1.00 0.98 H new ATOM 0 HD2 PRO A 60 -5.261 -2.538 -3.033 1.00 1.21 H new ATOM 0 HD3 PRO A 60 -6.453 -1.294 -3.359 1.00 1.21 H new ATOM 952 N GLN A 61 -1.195 -0.844 -4.136 1.00 0.58 N ATOM 953 CA GLN A 61 0.017 -1.523 -3.726 1.00 0.60 C ATOM 954 C GLN A 61 0.606 -0.760 -2.543 1.00 0.56 C ATOM 955 O GLN A 61 1.132 0.336 -2.732 1.00 0.67 O ATOM 956 CB GLN A 61 1.019 -1.486 -4.877 1.00 0.80 C ATOM 957 CG GLN A 61 0.669 -2.394 -6.056 1.00 1.12 C ATOM 958 CD GLN A 61 1.874 -2.525 -6.984 1.00 2.43 C ATOM 959 OE1 GLN A 61 2.946 -1.985 -6.727 1.00 3.80 O ATOM 960 NE2 GLN A 61 1.718 -3.203 -8.108 1.00 2.68 N ATOM 0 H GLN A 61 -1.046 0.144 -4.340 1.00 0.58 H new ATOM 0 HA GLN A 61 -0.197 -2.556 -3.454 1.00 0.60 H new ATOM 0 HB2 GLN A 61 1.101 -0.460 -5.237 1.00 0.80 H new ATOM 0 HB3 GLN A 61 2.000 -1.769 -4.496 1.00 0.80 H new ATOM 0 HG2 GLN A 61 0.369 -3.377 -5.693 1.00 1.12 H new ATOM 0 HG3 GLN A 61 -0.180 -1.984 -6.603 1.00 1.12 H new ATOM 0 HE21 GLN A 61 0.824 -3.649 -8.315 1.00 2.68 H new ATOM 0 HE22 GLN A 61 2.491 -3.280 -8.769 1.00 2.68 H new ATOM 969 N ILE A 62 0.553 -1.305 -1.333 1.00 0.56 N ATOM 970 CA ILE A 62 1.368 -0.794 -0.247 1.00 0.56 C ATOM 971 C ILE A 62 2.752 -1.443 -0.360 1.00 0.50 C ATOM 972 O ILE A 62 2.870 -2.668 -0.429 1.00 0.64 O ATOM 973 CB ILE A 62 0.678 -0.998 1.117 1.00 0.66 C ATOM 974 CG1 ILE A 62 -0.440 0.050 1.344 1.00 0.73 C ATOM 975 CG2 ILE A 62 1.706 -0.873 2.239 1.00 0.64 C ATOM 976 CD1 ILE A 62 -1.808 -0.528 1.052 1.00 0.87 C ATOM 0 H ILE A 62 -0.042 -2.095 -1.084 1.00 0.56 H new ATOM 0 HA ILE A 62 1.494 0.286 -0.321 1.00 0.56 H new ATOM 0 HB ILE A 62 0.232 -1.993 1.120 1.00 0.66 H new ATOM 0 HG12 ILE A 62 -0.405 0.403 2.375 1.00 0.73 H new ATOM 0 HG13 ILE A 62 -0.265 0.915 0.704 1.00 0.73 H new ATOM 0 HG21 ILE A 62 1.214 -1.018 3.201 1.00 0.64 H new ATOM 0 HG22 ILE A 62 2.480 -1.630 2.110 1.00 0.64 H new ATOM 0 HG23 ILE A 62 2.159 0.118 2.209 1.00 0.64 H new ATOM 0 HD11 ILE A 62 -2.569 0.234 1.221 1.00 0.87 H new ATOM 0 HD12 ILE A 62 -1.850 -0.858 0.014 1.00 0.87 H new ATOM 0 HD13 ILE A 62 -1.992 -1.377 1.710 1.00 0.87 H new ATOM 988 N PHE A 63 3.788 -0.604 -0.383 1.00 0.40 N ATOM 989 CA PHE A 63 5.177 -0.972 -0.175 1.00 0.44 C ATOM 990 C PHE A 63 5.506 -0.643 1.269 1.00 0.43 C ATOM 991 O PHE A 63 5.462 0.525 1.649 1.00 0.59 O ATOM 992 CB PHE A 63 6.108 -0.144 -1.073 1.00 0.47 C ATOM 993 CG PHE A 63 6.081 -0.509 -2.541 1.00 0.57 C ATOM 994 CD1 PHE A 63 5.019 -0.075 -3.354 1.00 1.88 C ATOM 995 CD2 PHE A 63 7.084 -1.338 -3.076 1.00 1.99 C ATOM 996 CE1 PHE A 63 4.931 -0.514 -4.684 1.00 1.88 C ATOM 997 CE2 PHE A 63 6.997 -1.772 -4.407 1.00 2.00 C ATOM 998 CZ PHE A 63 5.893 -1.402 -5.194 1.00 0.61 C ATOM 0 H PHE A 63 3.670 0.394 -0.555 1.00 0.40 H new ATOM 0 HA PHE A 63 5.317 -2.027 -0.409 1.00 0.44 H new ATOM 0 HB2 PHE A 63 5.842 0.908 -0.972 1.00 0.47 H new ATOM 0 HB3 PHE A 63 7.129 -0.251 -0.707 1.00 0.47 H new ATOM 0 HD1 PHE A 63 4.272 0.595 -2.955 1.00 1.88 H new ATOM 0 HD2 PHE A 63 7.920 -1.640 -2.463 1.00 1.99 H new ATOM 0 HE1 PHE A 63 4.125 -0.170 -5.315 1.00 1.88 H new ATOM 0 HE2 PHE A 63 7.777 -2.390 -4.826 1.00 2.00 H new ATOM 0 HZ PHE A 63 5.784 -1.801 -6.192 1.00 0.61 H new ATOM 1008 N VAL A 64 5.852 -1.649 2.057 1.00 0.40 N ATOM 1009 CA VAL A 64 6.423 -1.451 3.375 1.00 0.48 C ATOM 1010 C VAL A 64 7.918 -1.275 3.149 1.00 0.54 C ATOM 1011 O VAL A 64 8.560 -2.227 2.707 1.00 0.65 O ATOM 1012 CB VAL A 64 6.099 -2.690 4.220 1.00 0.83 C ATOM 1013 CG1 VAL A 64 6.969 -2.796 5.474 1.00 1.24 C ATOM 1014 CG2 VAL A 64 4.623 -2.624 4.630 1.00 0.90 C ATOM 0 H VAL A 64 5.743 -2.629 1.797 1.00 0.40 H new ATOM 0 HA VAL A 64 6.028 -0.584 3.905 1.00 0.48 H new ATOM 0 HB VAL A 64 6.305 -3.572 3.614 1.00 0.83 H new ATOM 0 HG11 VAL A 64 6.695 -3.691 6.032 1.00 1.24 H new ATOM 0 HG12 VAL A 64 8.018 -2.855 5.185 1.00 1.24 H new ATOM 0 HG13 VAL A 64 6.814 -1.917 6.100 1.00 1.24 H new ATOM 0 HG21 VAL A 64 4.373 -3.498 5.232 1.00 0.90 H new ATOM 0 HG22 VAL A 64 4.447 -1.719 5.212 1.00 0.90 H new ATOM 0 HG23 VAL A 64 3.998 -2.608 3.737 1.00 0.90 H new ATOM 1024 N ASP A 65 8.467 -0.088 3.414 1.00 0.70 N ATOM 1025 CA ASP A 65 9.871 0.234 3.204 1.00 0.99 C ATOM 1026 C ASP A 65 10.237 -0.055 1.747 1.00 1.15 C ATOM 1027 O ASP A 65 9.930 0.767 0.886 1.00 2.91 O ATOM 1028 CB ASP A 65 10.764 -0.422 4.270 1.00 1.22 C ATOM 1029 CG ASP A 65 10.766 0.389 5.551 1.00 1.74 C ATOM 1030 OD1 ASP A 65 9.672 0.574 6.119 1.00 2.90 O ATOM 1031 OD2 ASP A 65 11.856 0.858 5.958 1.00 2.42 O ATOM 0 H ASP A 65 7.929 0.693 3.790 1.00 0.70 H new ATOM 0 HA ASP A 65 10.055 1.298 3.350 1.00 0.99 H new ATOM 0 HB2 ASP A 65 10.409 -1.432 4.475 1.00 1.22 H new ATOM 0 HB3 ASP A 65 11.782 -0.513 3.891 1.00 1.22 H new ATOM 1036 N GLN A 66 10.800 -1.219 1.419 1.00 1.19 N ATOM 1037 CA GLN A 66 10.877 -1.680 0.050 1.00 1.17 C ATOM 1038 C GLN A 66 10.627 -3.181 -0.058 1.00 1.33 C ATOM 1039 O GLN A 66 11.403 -3.908 -0.681 1.00 2.16 O ATOM 1040 CB GLN A 66 12.176 -1.220 -0.629 1.00 1.20 C ATOM 1041 CG GLN A 66 12.061 -1.271 -2.164 1.00 2.27 C ATOM 1042 CD GLN A 66 13.199 -2.020 -2.852 1.00 3.37 C ATOM 1043 OE1 GLN A 66 13.761 -1.548 -3.834 1.00 3.98 O ATOM 1044 NE2 GLN A 66 13.501 -3.235 -2.418 1.00 4.46 N ATOM 0 H GLN A 66 11.211 -1.859 2.098 1.00 1.19 H new ATOM 0 HA GLN A 66 10.068 -1.209 -0.508 1.00 1.17 H new ATOM 0 HB2 GLN A 66 12.411 -0.203 -0.315 1.00 1.20 H new ATOM 0 HB3 GLN A 66 13.001 -1.853 -0.304 1.00 1.20 H new ATOM 0 HG2 GLN A 66 11.116 -1.744 -2.431 1.00 2.27 H new ATOM 0 HG3 GLN A 66 12.027 -0.252 -2.549 1.00 2.27 H new ATOM 0 HE21 GLN A 66 13.027 -3.617 -1.600 1.00 4.46 H new ATOM 0 HE22 GLN A 66 14.208 -3.788 -2.902 1.00 4.46 H new ATOM 1053 N GLN A 67 9.528 -3.654 0.518 1.00 0.76 N ATOM 1054 CA GLN A 67 8.922 -4.915 0.192 1.00 0.75 C ATOM 1055 C GLN A 67 7.504 -4.521 -0.213 1.00 0.56 C ATOM 1056 O GLN A 67 6.731 -4.035 0.617 1.00 0.61 O ATOM 1057 CB GLN A 67 8.943 -5.817 1.427 1.00 0.77 C ATOM 1058 CG GLN A 67 7.860 -6.901 1.351 1.00 0.83 C ATOM 1059 CD GLN A 67 8.034 -8.006 2.385 1.00 1.25 C ATOM 1060 OE1 GLN A 67 9.099 -8.160 2.981 1.00 2.03 O ATOM 1061 NE2 GLN A 67 7.013 -8.818 2.601 1.00 2.25 N ATOM 0 H GLN A 67 9.027 -3.145 1.247 1.00 0.76 H new ATOM 0 HA GLN A 67 9.427 -5.474 -0.595 1.00 0.75 H new ATOM 0 HB2 GLN A 67 9.923 -6.286 1.520 1.00 0.77 H new ATOM 0 HB3 GLN A 67 8.793 -5.213 2.322 1.00 0.77 H new ATOM 0 HG2 GLN A 67 6.883 -6.438 1.487 1.00 0.83 H new ATOM 0 HG3 GLN A 67 7.868 -7.342 0.354 1.00 0.83 H new ATOM 0 HE21 GLN A 67 6.136 -8.679 2.100 1.00 2.25 H new ATOM 0 HE22 GLN A 67 7.103 -9.584 3.269 1.00 2.25 H new ATOM 1070 N HIS A 68 7.171 -4.685 -1.485 1.00 0.44 N ATOM 1071 CA HIS A 68 5.797 -4.680 -1.940 1.00 0.39 C ATOM 1072 C HIS A 68 5.020 -5.740 -1.164 1.00 0.44 C ATOM 1073 O HIS A 68 5.436 -6.898 -1.118 1.00 0.59 O ATOM 1074 CB HIS A 68 5.769 -4.983 -3.432 1.00 0.52 C ATOM 1075 CG HIS A 68 4.366 -5.089 -3.946 1.00 0.71 C ATOM 1076 ND1 HIS A 68 3.674 -6.255 -4.149 1.00 0.89 N ATOM 1077 CD2 HIS A 68 3.492 -4.051 -4.094 1.00 0.96 C ATOM 1078 CE1 HIS A 68 2.411 -5.923 -4.454 1.00 1.07 C ATOM 1079 NE2 HIS A 68 2.246 -4.592 -4.422 1.00 1.15 N ATOM 0 H HIS A 68 7.853 -4.826 -2.230 1.00 0.44 H new ATOM 0 HA HIS A 68 5.339 -3.706 -1.769 1.00 0.39 H new ATOM 0 HB2 HIS A 68 6.297 -4.198 -3.973 1.00 0.52 H new ATOM 0 HB3 HIS A 68 6.299 -5.916 -3.625 1.00 0.52 H new ATOM 0 HD1 HIS A 68 4.050 -7.201 -4.081 1.00 0.89 H new ATOM 0 HD2 HIS A 68 3.722 -3.002 -3.979 1.00 0.96 H new ATOM 0 HE1 HIS A 68 1.632 -6.632 -4.693 1.00 1.07 H new ATOM 1087 N ILE A 69 3.897 -5.350 -0.571 1.00 0.49 N ATOM 1088 CA ILE A 69 3.023 -6.251 0.155 1.00 0.63 C ATOM 1089 C ILE A 69 1.885 -6.676 -0.760 1.00 0.72 C ATOM 1090 O ILE A 69 1.656 -7.872 -0.954 1.00 0.83 O ATOM 1091 CB ILE A 69 2.498 -5.555 1.418 1.00 0.70 C ATOM 1092 CG1 ILE A 69 3.642 -5.082 2.327 1.00 0.66 C ATOM 1093 CG2 ILE A 69 1.555 -6.493 2.178 1.00 0.90 C ATOM 1094 CD1 ILE A 69 4.442 -6.242 2.920 1.00 0.71 C ATOM 0 H ILE A 69 3.568 -4.385 -0.584 1.00 0.49 H new ATOM 0 HA ILE A 69 3.569 -7.141 0.468 1.00 0.63 H new ATOM 0 HB ILE A 69 1.946 -4.668 1.108 1.00 0.70 H new ATOM 0 HG12 ILE A 69 4.312 -4.438 1.756 1.00 0.66 H new ATOM 0 HG13 ILE A 69 3.232 -4.478 3.136 1.00 0.66 H new ATOM 0 HG21 ILE A 69 1.187 -5.992 3.073 1.00 0.90 H new ATOM 0 HG22 ILE A 69 0.713 -6.759 1.539 1.00 0.90 H new ATOM 0 HG23 ILE A 69 2.093 -7.397 2.464 1.00 0.90 H new ATOM 0 HD11 ILE A 69 5.237 -5.849 3.554 1.00 0.71 H new ATOM 0 HD12 ILE A 69 3.782 -6.873 3.515 1.00 0.71 H new ATOM 0 HD13 ILE A 69 4.878 -6.832 2.114 1.00 0.71 H new ATOM 1106 N GLY A 70 1.173 -5.697 -1.316 1.00 0.73 N ATOM 1107 CA GLY A 70 -0.071 -5.927 -2.031 1.00 0.83 C ATOM 1108 C GLY A 70 -1.133 -4.925 -1.596 1.00 0.67 C ATOM 1109 O GLY A 70 -0.801 -3.794 -1.240 1.00 1.01 O ATOM 0 H GLY A 70 1.450 -4.716 -1.280 1.00 0.73 H new ATOM 0 HA2 GLY A 70 0.099 -5.842 -3.104 1.00 0.83 H new ATOM 0 HA3 GLY A 70 -0.422 -6.942 -1.843 1.00 0.83 H new ATOM 1113 N GLY A 71 -2.400 -5.328 -1.665 1.00 0.59 N ATOM 1114 CA GLY A 71 -3.537 -4.464 -1.395 1.00 0.58 C ATOM 1115 C GLY A 71 -3.911 -4.489 0.080 1.00 0.46 C ATOM 1116 O GLY A 71 -3.132 -4.947 0.914 1.00 0.48 O ATOM 0 H GLY A 71 -2.665 -6.281 -1.915 1.00 0.59 H new ATOM 0 HA2 GLY A 71 -3.300 -3.443 -1.695 1.00 0.58 H new ATOM 0 HA3 GLY A 71 -4.390 -4.783 -1.994 1.00 0.58 H new ATOM 1120 N TYR A 72 -5.106 -4.005 0.408 1.00 0.46 N ATOM 1121 CA TYR A 72 -5.629 -4.012 1.758 1.00 0.42 C ATOM 1122 C TYR A 72 -5.587 -5.409 2.356 1.00 0.40 C ATOM 1123 O TYR A 72 -5.184 -5.539 3.501 1.00 0.41 O ATOM 1124 CB TYR A 72 -7.075 -3.507 1.784 1.00 0.48 C ATOM 1125 CG TYR A 72 -7.797 -3.802 3.086 1.00 0.49 C ATOM 1126 CD1 TYR A 72 -7.331 -3.252 4.296 1.00 1.40 C ATOM 1127 CD2 TYR A 72 -8.899 -4.678 3.095 1.00 1.08 C ATOM 1128 CE1 TYR A 72 -7.999 -3.538 5.499 1.00 1.43 C ATOM 1129 CE2 TYR A 72 -9.552 -4.974 4.302 1.00 1.15 C ATOM 1130 CZ TYR A 72 -9.099 -4.406 5.501 1.00 0.72 C ATOM 1131 OH TYR A 72 -9.690 -4.760 6.674 1.00 0.94 O ATOM 0 H TYR A 72 -5.743 -3.592 -0.273 1.00 0.46 H new ATOM 0 HA TYR A 72 -4.999 -3.349 2.351 1.00 0.42 H new ATOM 0 HB2 TYR A 72 -7.079 -2.431 1.612 1.00 0.48 H new ATOM 0 HB3 TYR A 72 -7.625 -3.963 0.961 1.00 0.48 H new ATOM 0 HD1 TYR A 72 -6.462 -2.611 4.299 1.00 1.40 H new ATOM 0 HD2 TYR A 72 -9.242 -5.123 2.173 1.00 1.08 H new ATOM 0 HE1 TYR A 72 -7.664 -3.089 6.422 1.00 1.43 H new ATOM 0 HE2 TYR A 72 -10.403 -5.639 4.307 1.00 1.15 H new ATOM 0 HH TYR A 72 -10.438 -5.367 6.493 1.00 0.94 H new ATOM 1141 N THR A 73 -6.027 -6.439 1.643 1.00 0.48 N ATOM 1142 CA THR A 73 -6.059 -7.784 2.205 1.00 0.53 C ATOM 1143 C THR A 73 -4.659 -8.187 2.674 1.00 0.52 C ATOM 1144 O THR A 73 -4.414 -8.527 3.836 1.00 0.61 O ATOM 1145 CB THR A 73 -6.545 -8.739 1.108 1.00 0.85 C ATOM 1146 OG1 THR A 73 -5.821 -8.501 -0.089 1.00 2.10 O ATOM 1147 CG2 THR A 73 -8.019 -8.524 0.782 1.00 1.32 C ATOM 0 H THR A 73 -6.364 -6.370 0.683 1.00 0.48 H new ATOM 0 HA THR A 73 -6.729 -7.823 3.064 1.00 0.53 H new ATOM 0 HB THR A 73 -6.393 -9.752 1.480 1.00 0.85 H new ATOM 0 HG1 THR A 73 -6.133 -9.114 -0.787 1.00 2.10 H new ATOM 0 HG21 THR A 73 -8.324 -9.220 0.000 1.00 1.32 H new ATOM 0 HG22 THR A 73 -8.618 -8.697 1.676 1.00 1.32 H new ATOM 0 HG23 THR A 73 -8.170 -7.501 0.436 1.00 1.32 H new ATOM 1155 N ASP A 74 -3.741 -8.117 1.714 1.00 0.56 N ATOM 1156 CA ASP A 74 -2.343 -8.481 1.832 1.00 0.62 C ATOM 1157 C ASP A 74 -1.708 -7.703 2.984 1.00 0.55 C ATOM 1158 O ASP A 74 -0.924 -8.243 3.766 1.00 0.61 O ATOM 1159 CB ASP A 74 -1.634 -8.181 0.501 1.00 0.72 C ATOM 1160 CG ASP A 74 -2.314 -8.809 -0.699 1.00 0.97 C ATOM 1161 OD1 ASP A 74 -2.541 -10.038 -0.695 1.00 2.18 O ATOM 1162 OD2 ASP A 74 -2.620 -8.075 -1.667 1.00 1.55 O ATOM 0 H ASP A 74 -3.973 -7.784 0.778 1.00 0.56 H new ATOM 0 HA ASP A 74 -2.245 -9.545 2.047 1.00 0.62 H new ATOM 0 HB2 ASP A 74 -1.587 -7.101 0.359 1.00 0.72 H new ATOM 0 HB3 ASP A 74 -0.606 -8.541 0.556 1.00 0.72 H new ATOM 1167 N PHE A 75 -2.041 -6.418 3.059 1.00 0.47 N ATOM 1168 CA PHE A 75 -1.531 -5.461 4.023 1.00 0.42 C ATOM 1169 C PHE A 75 -2.077 -5.773 5.418 1.00 0.45 C ATOM 1170 O PHE A 75 -1.332 -5.879 6.386 1.00 0.50 O ATOM 1171 CB PHE A 75 -1.958 -4.070 3.547 1.00 0.39 C ATOM 1172 CG PHE A 75 -1.616 -2.897 4.433 1.00 0.42 C ATOM 1173 CD1 PHE A 75 -0.369 -2.812 5.082 1.00 1.83 C ATOM 1174 CD2 PHE A 75 -2.474 -1.786 4.419 1.00 2.03 C ATOM 1175 CE1 PHE A 75 0.024 -1.608 5.691 1.00 1.77 C ATOM 1176 CE2 PHE A 75 -2.092 -0.595 5.044 1.00 2.14 C ATOM 1177 CZ PHE A 75 -0.824 -0.489 5.634 1.00 0.71 C ATOM 0 H PHE A 75 -2.710 -5.999 2.413 1.00 0.47 H new ATOM 0 HA PHE A 75 -0.444 -5.511 4.093 1.00 0.42 H new ATOM 0 HB2 PHE A 75 -1.508 -3.896 2.569 1.00 0.39 H new ATOM 0 HB3 PHE A 75 -3.038 -4.080 3.404 1.00 0.39 H new ATOM 0 HD1 PHE A 75 0.285 -3.671 5.112 1.00 1.83 H new ATOM 0 HD2 PHE A 75 -3.432 -1.851 3.924 1.00 2.03 H new ATOM 0 HE1 PHE A 75 0.974 -1.543 6.201 1.00 1.77 H new ATOM 0 HE2 PHE A 75 -2.773 0.243 5.072 1.00 2.14 H new ATOM 0 HZ PHE A 75 -0.499 0.455 6.046 1.00 0.71 H new ATOM 1187 N ALA A 76 -3.390 -5.937 5.522 1.00 0.51 N ATOM 1188 CA ALA A 76 -4.091 -6.306 6.736 1.00 0.63 C ATOM 1189 C ALA A 76 -3.451 -7.554 7.330 1.00 0.74 C ATOM 1190 O ALA A 76 -3.237 -7.616 8.544 1.00 0.92 O ATOM 1191 CB ALA A 76 -5.577 -6.504 6.418 1.00 0.68 C ATOM 0 H ALA A 76 -4.017 -5.810 4.728 1.00 0.51 H new ATOM 0 HA ALA A 76 -4.016 -5.515 7.482 1.00 0.63 H new ATOM 0 HB1 ALA A 76 -6.110 -6.782 7.327 1.00 0.68 H new ATOM 0 HB2 ALA A 76 -5.991 -5.576 6.024 1.00 0.68 H new ATOM 0 HB3 ALA A 76 -5.688 -7.295 5.676 1.00 0.68 H new ATOM 1197 N ALA A 77 -3.121 -8.514 6.464 1.00 0.72 N ATOM 1198 CA ALA A 77 -2.372 -9.693 6.846 1.00 0.83 C ATOM 1199 C ALA A 77 -0.989 -9.310 7.381 1.00 0.80 C ATOM 1200 O ALA A 77 -0.723 -9.630 8.533 1.00 0.99 O ATOM 1201 CB ALA A 77 -2.313 -10.685 5.689 1.00 0.88 C ATOM 0 H ALA A 77 -3.371 -8.487 5.476 1.00 0.72 H new ATOM 0 HA ALA A 77 -2.888 -10.196 7.664 1.00 0.83 H new ATOM 0 HB1 ALA A 77 -1.747 -11.565 5.993 1.00 0.88 H new ATOM 0 HB2 ALA A 77 -3.325 -10.982 5.413 1.00 0.88 H new ATOM 0 HB3 ALA A 77 -1.826 -10.218 4.833 1.00 0.88 H new ATOM 1207 N TRP A 78 -0.142 -8.616 6.599 1.00 0.64 N ATOM 1208 CA TRP A 78 1.165 -8.088 7.037 1.00 0.72 C ATOM 1209 C TRP A 78 1.070 -7.561 8.471 1.00 0.72 C ATOM 1210 O TRP A 78 1.738 -8.080 9.361 1.00 0.78 O ATOM 1211 CB TRP A 78 1.689 -7.033 6.046 1.00 0.69 C ATOM 1212 CG TRP A 78 2.967 -6.336 6.413 1.00 0.83 C ATOM 1213 CD1 TRP A 78 4.213 -6.762 6.109 1.00 0.99 C ATOM 1214 CD2 TRP A 78 3.150 -5.115 7.197 1.00 0.94 C ATOM 1215 NE1 TRP A 78 5.145 -5.899 6.644 1.00 1.17 N ATOM 1216 CE2 TRP A 78 4.547 -4.864 7.332 1.00 1.18 C ATOM 1217 CE3 TRP A 78 2.281 -4.220 7.854 1.00 0.95 C ATOM 1218 CZ2 TRP A 78 5.045 -3.774 8.067 1.00 1.41 C ATOM 1219 CZ3 TRP A 78 2.771 -3.174 8.654 1.00 1.20 C ATOM 1220 CH2 TRP A 78 4.151 -2.941 8.751 1.00 1.43 C ATOM 0 H TRP A 78 -0.351 -8.402 5.624 1.00 0.64 H new ATOM 0 HA TRP A 78 1.896 -8.897 7.041 1.00 0.72 H new ATOM 0 HB2 TRP A 78 1.831 -7.516 5.079 1.00 0.69 H new ATOM 0 HB3 TRP A 78 0.915 -6.277 5.914 1.00 0.69 H new ATOM 0 HD1 TRP A 78 4.444 -7.646 5.533 1.00 0.99 H new ATOM 0 HE1 TRP A 78 6.154 -6.012 6.543 1.00 1.17 H new ATOM 0 HE3 TRP A 78 1.214 -4.341 7.740 1.00 0.95 H new ATOM 0 HZ2 TRP A 78 6.107 -3.581 8.104 1.00 1.41 H new ATOM 0 HZ3 TRP A 78 2.081 -2.546 9.198 1.00 1.20 H new ATOM 0 HH2 TRP A 78 4.522 -2.123 9.350 1.00 1.43 H new ATOM 1231 N VAL A 79 0.207 -6.577 8.724 1.00 0.72 N ATOM 1232 CA VAL A 79 0.042 -6.020 10.063 1.00 0.75 C ATOM 1233 C VAL A 79 -0.114 -7.165 11.070 1.00 0.76 C ATOM 1234 O VAL A 79 0.601 -7.242 12.071 1.00 0.79 O ATOM 1235 CB VAL A 79 -1.184 -5.086 10.102 1.00 0.78 C ATOM 1236 CG1 VAL A 79 -1.389 -4.503 11.504 1.00 0.94 C ATOM 1237 CG2 VAL A 79 -1.090 -3.906 9.128 1.00 0.76 C ATOM 0 H VAL A 79 -0.389 -6.149 8.016 1.00 0.72 H new ATOM 0 HA VAL A 79 0.922 -5.433 10.327 1.00 0.75 H new ATOM 0 HB VAL A 79 -2.022 -5.717 9.807 1.00 0.78 H new ATOM 0 HG11 VAL A 79 -2.260 -3.848 11.502 1.00 0.94 H new ATOM 0 HG12 VAL A 79 -1.546 -5.314 12.216 1.00 0.94 H new ATOM 0 HG13 VAL A 79 -0.507 -3.932 11.793 1.00 0.94 H new ATOM 0 HG21 VAL A 79 -1.987 -3.293 9.211 1.00 0.76 H new ATOM 0 HG22 VAL A 79 -0.215 -3.303 9.370 1.00 0.76 H new ATOM 0 HG23 VAL A 79 -1.001 -4.282 8.109 1.00 0.76 H new ATOM 1247 N LYS A 80 -1.042 -8.073 10.780 1.00 0.78 N ATOM 1248 CA LYS A 80 -1.415 -9.156 11.663 1.00 0.89 C ATOM 1249 C LYS A 80 -0.450 -10.354 11.626 1.00 0.97 C ATOM 1250 O LYS A 80 -0.767 -11.375 12.239 1.00 1.62 O ATOM 1251 CB LYS A 80 -2.862 -9.569 11.342 1.00 1.20 C ATOM 1252 CG LYS A 80 -3.624 -9.974 12.609 1.00 2.12 C ATOM 1253 CD LYS A 80 -4.107 -8.729 13.369 1.00 3.54 C ATOM 1254 CE LYS A 80 -5.477 -8.269 12.847 1.00 3.92 C ATOM 1255 NZ LYS A 80 -5.684 -6.818 13.004 1.00 5.14 N ATOM 0 H LYS A 80 -1.563 -8.069 9.903 1.00 0.78 H new ATOM 0 HA LYS A 80 -1.348 -8.793 12.689 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -3.378 -8.742 10.854 1.00 1.20 H new ATOM 0 HB3 LYS A 80 -2.856 -10.401 10.638 1.00 1.20 H new ATOM 0 HG2 LYS A 80 -4.477 -10.598 12.343 1.00 2.12 H new ATOM 0 HG3 LYS A 80 -2.979 -10.572 13.252 1.00 2.12 H new ATOM 0 HD2 LYS A 80 -4.174 -8.951 14.434 1.00 3.54 H new ATOM 0 HD3 LYS A 80 -3.381 -7.924 13.256 1.00 3.54 H new ATOM 0 HE2 LYS A 80 -5.568 -8.534 11.794 1.00 3.92 H new ATOM 0 HE3 LYS A 80 -6.263 -8.804 13.379 1.00 3.92 H new ATOM 0 HZ1 LYS A 80 -6.622 -6.559 12.637 1.00 5.14 H new ATOM 0 HZ2 LYS A 80 -5.625 -6.566 14.011 1.00 5.14 H new ATOM 0 HZ3 LYS A 80 -4.951 -6.304 12.475 1.00 5.14 H new ATOM 1269 N GLU A 81 0.698 -10.273 10.951 1.00 0.86 N ATOM 1270 CA GLU A 81 1.765 -11.262 11.073 1.00 0.95 C ATOM 1271 C GLU A 81 3.010 -10.628 11.684 1.00 0.95 C ATOM 1272 O GLU A 81 3.739 -11.309 12.392 1.00 1.34 O ATOM 1273 CB GLU A 81 2.056 -11.971 9.742 1.00 1.04 C ATOM 1274 CG GLU A 81 2.430 -10.987 8.636 1.00 1.92 C ATOM 1275 CD GLU A 81 2.825 -11.633 7.334 1.00 2.15 C ATOM 1276 OE1 GLU A 81 2.182 -12.635 6.951 1.00 2.06 O ATOM 1277 OE2 GLU A 81 3.722 -11.075 6.664 1.00 3.29 O ATOM 0 H GLU A 81 0.912 -9.516 10.302 1.00 0.86 H new ATOM 0 HA GLU A 81 1.425 -12.043 11.753 1.00 0.95 H new ATOM 0 HB2 GLU A 81 2.868 -12.684 9.882 1.00 1.04 H new ATOM 0 HB3 GLU A 81 1.179 -12.542 9.437 1.00 1.04 H new ATOM 0 HG2 GLU A 81 1.584 -10.323 8.456 1.00 1.92 H new ATOM 0 HG3 GLU A 81 3.255 -10.365 8.984 1.00 1.92 H new ATOM 1284 N ASN A 82 3.278 -9.335 11.469 1.00 0.84 N ATOM 1285 CA ASN A 82 4.450 -8.741 12.077 1.00 1.09 C ATOM 1286 C ASN A 82 4.053 -8.344 13.493 1.00 1.30 C ATOM 1287 O ASN A 82 4.715 -8.713 14.462 1.00 1.68 O ATOM 1288 CB ASN A 82 4.983 -7.505 11.339 1.00 1.43 C ATOM 1289 CG ASN A 82 4.360 -7.129 10.012 1.00 2.03 C ATOM 1290 OD1 ASN A 82 3.796 -6.048 9.916 1.00 3.71 O ATOM 1291 ND2 ASN A 82 4.455 -7.940 8.969 1.00 1.54 N ATOM 0 H ASN A 82 2.714 -8.706 10.897 1.00 0.84 H new ATOM 0 HA ASN A 82 5.257 -9.473 12.045 1.00 1.09 H new ATOM 0 HB2 ASN A 82 4.879 -6.650 12.007 1.00 1.43 H new ATOM 0 HB3 ASN A 82 6.050 -7.653 11.174 1.00 1.43 H new ATOM 0 HD21 ASN A 82 4.055 -7.666 8.072 1.00 1.54 H new ATOM 0 HD22 ASN A 82 4.928 -8.839 9.063 1.00 1.54 H new ATOM 1298 N LEU A 83 2.975 -7.568 13.623 1.00 1.21 N ATOM 1299 CA LEU A 83 2.611 -6.958 14.892 1.00 1.45 C ATOM 1300 C LEU A 83 1.817 -7.934 15.758 1.00 1.48 C ATOM 1301 O LEU A 83 1.650 -7.698 16.953 1.00 1.78 O ATOM 1302 CB LEU A 83 1.800 -5.676 14.664 1.00 1.59 C ATOM 1303 CG LEU A 83 2.459 -4.635 13.737 1.00 1.42 C ATOM 1304 CD1 LEU A 83 1.684 -3.318 13.854 1.00 1.89 C ATOM 1305 CD2 LEU A 83 3.925 -4.358 14.108 1.00 1.73 C ATOM 0 H LEU A 83 2.339 -7.350 12.856 1.00 1.21 H new ATOM 0 HA LEU A 83 3.532 -6.701 15.416 1.00 1.45 H new ATOM 0 HB2 LEU A 83 0.831 -5.948 14.246 1.00 1.59 H new ATOM 0 HB3 LEU A 83 1.610 -5.209 15.630 1.00 1.59 H new ATOM 0 HG LEU A 83 2.436 -5.037 12.724 1.00 1.42 H new ATOM 0 HD11 LEU A 83 2.138 -2.570 13.204 1.00 1.89 H new ATOM 0 HD12 LEU A 83 0.648 -3.478 13.556 1.00 1.89 H new ATOM 0 HD13 LEU A 83 1.715 -2.968 14.886 1.00 1.89 H new ATOM 0 HD21 LEU A 83 4.340 -3.618 13.424 1.00 1.73 H new ATOM 0 HD22 LEU A 83 3.977 -3.978 15.128 1.00 1.73 H new ATOM 0 HD23 LEU A 83 4.499 -5.282 14.036 1.00 1.73 H new