USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot 180:sc= 0.0118 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.31) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -159:sc= 0.00187 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.1! C(o=-11!,f=-22!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0101 (180deg=-0.147) USER MOD Single : A 33 HIS : no HD1:sc= -0.265 K(o=-0.26,f=-3.6!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.00496 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -14.140 12.147 -7.221 1.00 9.58 N ATOM 2 CA GLU A 4 -13.455 12.986 -8.251 1.00 9.09 C ATOM 3 C GLU A 4 -12.073 13.416 -7.735 1.00 8.06 C ATOM 4 O GLU A 4 -11.072 13.223 -8.400 1.00 8.10 O ATOM 5 CB GLU A 4 -14.306 14.227 -8.554 1.00 9.77 C ATOM 6 CG GLU A 4 -15.370 13.874 -9.599 1.00 10.24 C ATOM 7 CD GLU A 4 -16.366 15.029 -9.732 1.00 11.04 C ATOM 8 OE1 GLU A 4 -16.118 15.911 -10.538 1.00 11.49 O ATOM 9 OE2 GLU A 4 -17.361 15.011 -9.026 1.00 11.36 O ATOM 0 HA GLU A 4 -13.330 12.404 -9.164 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -14.782 14.586 -7.642 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -13.673 15.034 -8.922 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -14.897 13.676 -10.561 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -15.892 12.963 -9.307 1.00 10.24 H new ATOM 16 N LEU A 5 -12.011 13.986 -6.552 1.00 7.36 N ATOM 17 CA LEU A 5 -10.694 14.417 -5.985 1.00 6.53 C ATOM 18 C LEU A 5 -10.613 14.008 -4.511 1.00 6.17 C ATOM 19 O LEU A 5 -10.180 14.766 -3.663 1.00 6.61 O ATOM 20 CB LEU A 5 -10.499 15.947 -6.125 1.00 6.34 C ATOM 21 CG LEU A 5 -11.779 16.750 -5.782 1.00 7.26 C ATOM 22 CD1 LEU A 5 -12.823 16.584 -6.888 1.00 7.60 C ATOM 23 CD2 LEU A 5 -12.375 16.294 -4.441 1.00 7.86 C ATOM 0 H LEU A 5 -12.818 14.171 -5.956 1.00 7.36 H new ATOM 0 HA LEU A 5 -9.898 13.925 -6.545 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -9.689 16.267 -5.470 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -10.194 16.178 -7.146 1.00 6.34 H new ATOM 0 HG LEU A 5 -11.501 17.801 -5.701 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -13.717 17.154 -6.633 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -12.416 16.950 -7.831 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -13.081 15.530 -6.989 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -13.272 16.874 -4.225 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -12.632 15.236 -4.498 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -11.644 16.448 -3.647 1.00 7.86 H new ATOM 35 N ARG A 6 -11.032 12.811 -4.203 1.00 5.61 N ATOM 36 CA ARG A 6 -10.991 12.346 -2.794 1.00 5.48 C ATOM 37 C ARG A 6 -9.970 11.216 -2.644 1.00 4.69 C ATOM 38 O ARG A 6 -9.357 10.777 -3.601 1.00 4.64 O ATOM 39 CB ARG A 6 -12.378 11.837 -2.399 1.00 6.06 C ATOM 40 CG ARG A 6 -13.278 13.019 -2.023 1.00 6.84 C ATOM 41 CD ARG A 6 -12.768 13.672 -0.733 1.00 7.76 C ATOM 42 NE ARG A 6 -12.135 14.984 -1.055 1.00 8.57 N ATOM 43 CZ ARG A 6 -12.623 16.088 -0.554 1.00 9.27 C ATOM 44 NH1 ARG A 6 -13.704 16.616 -1.066 1.00 9.70 N ATOM 45 NH2 ARG A 6 -12.026 16.665 0.458 1.00 9.77 N ATOM 0 H ARG A 6 -11.402 12.135 -4.871 1.00 5.61 H new ATOM 0 HA ARG A 6 -10.699 13.173 -2.147 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -12.820 11.280 -3.225 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -12.297 11.148 -1.558 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -13.290 13.750 -2.831 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -14.304 12.677 -1.887 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -13.593 13.816 -0.035 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -12.046 13.019 -0.243 1.00 7.76 H new ATOM 0 HE ARG A 6 -11.320 15.019 -1.667 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -14.166 16.166 -1.856 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -14.085 17.478 -0.675 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -11.181 16.253 0.854 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -12.406 17.527 0.850 1.00 9.77 H new ATOM 59 N CYS A 7 -9.795 10.748 -1.439 1.00 4.47 N ATOM 60 CA CYS A 7 -8.829 9.645 -1.178 1.00 4.05 C ATOM 61 C CYS A 7 -9.486 8.303 -1.504 1.00 4.38 C ATOM 62 O CYS A 7 -10.477 7.925 -0.904 1.00 4.93 O ATOM 63 CB CYS A 7 -8.421 9.679 0.296 1.00 4.32 C ATOM 64 SG CYS A 7 -7.545 11.224 0.648 1.00 4.79 S ATOM 0 H CYS A 7 -10.288 11.088 -0.613 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.946 9.770 -1.804 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -9.304 9.597 0.930 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.782 8.826 0.527 1.00 4.32 H new ATOM 69 N GLN A 8 -8.931 7.578 -2.447 1.00 4.51 N ATOM 70 CA GLN A 8 -9.503 6.246 -2.823 1.00 5.30 C ATOM 71 C GLN A 8 -9.497 5.317 -1.598 1.00 5.47 C ATOM 72 O GLN A 8 -10.302 4.410 -1.498 1.00 6.21 O ATOM 73 CB GLN A 8 -8.655 5.626 -3.942 1.00 5.63 C ATOM 74 CG GLN A 8 -9.518 4.685 -4.790 1.00 6.22 C ATOM 75 CD GLN A 8 -10.513 5.504 -5.620 1.00 7.21 C ATOM 76 OE1 GLN A 8 -11.690 5.539 -5.316 1.00 7.78 O ATOM 77 NE2 GLN A 8 -10.091 6.167 -6.662 1.00 7.68 N ATOM 0 H GLN A 8 -8.103 7.854 -2.974 1.00 4.51 H new ATOM 0 HA GLN A 8 -10.528 6.376 -3.171 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.234 6.412 -4.569 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -7.817 5.077 -3.513 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -8.885 4.089 -5.447 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -10.054 3.988 -4.146 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -9.104 6.139 -6.919 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -10.748 6.713 -7.219 1.00 7.68 H new ATOM 86 N CYS A 9 -8.595 5.543 -0.669 1.00 5.04 N ATOM 87 CA CYS A 9 -8.526 4.690 0.550 1.00 5.45 C ATOM 88 C CYS A 9 -8.237 5.555 1.780 1.00 5.99 C ATOM 89 O CYS A 9 -7.128 6.017 1.976 1.00 6.13 O ATOM 90 CB CYS A 9 -7.414 3.651 0.387 1.00 5.08 C ATOM 91 SG CYS A 9 -8.139 2.043 -0.024 1.00 5.12 S ATOM 0 H CYS A 9 -7.901 6.289 -0.709 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.483 4.185 0.684 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.725 3.962 -0.398 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -6.835 3.576 1.308 1.00 5.08 H new ATOM 96 N ILE A 10 -9.224 5.753 2.623 1.00 6.61 N ATOM 97 CA ILE A 10 -9.003 6.560 3.864 1.00 7.44 C ATOM 98 C ILE A 10 -8.069 5.764 4.788 1.00 7.48 C ATOM 99 O ILE A 10 -7.247 6.323 5.490 1.00 8.16 O ATOM 100 CB ILE A 10 -10.345 6.819 4.572 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.255 7.681 3.676 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.104 7.546 5.900 1.00 9.31 C ATOM 103 CD1 ILE A 10 -10.570 9.012 3.345 1.00 9.47 C ATOM 0 H ILE A 10 -10.170 5.391 2.505 1.00 6.61 H new ATOM 0 HA ILE A 10 -8.558 7.523 3.612 1.00 7.44 H new ATOM 0 HB ILE A 10 -10.830 5.862 4.766 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -11.485 7.144 2.756 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -12.203 7.868 4.181 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.058 7.726 6.395 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -9.472 6.932 6.542 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -9.610 8.498 5.709 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -11.225 9.610 2.711 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -10.363 9.554 4.268 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -9.634 8.819 2.820 1.00 9.47 H new ATOM 115 N LYS A 11 -8.180 4.454 4.761 1.00 6.93 N ATOM 116 CA LYS A 11 -7.299 3.586 5.598 1.00 7.15 C ATOM 117 C LYS A 11 -6.369 2.802 4.661 1.00 6.42 C ATOM 118 O LYS A 11 -6.539 2.828 3.455 1.00 6.35 O ATOM 119 CB LYS A 11 -8.162 2.611 6.407 1.00 8.05 C ATOM 120 CG LYS A 11 -7.697 2.597 7.865 1.00 8.65 C ATOM 121 CD LYS A 11 -8.723 1.848 8.722 1.00 9.04 C ATOM 122 CE LYS A 11 -8.090 1.464 10.062 1.00 9.50 C ATOM 123 NZ LYS A 11 -8.075 2.650 10.968 1.00 9.69 N ATOM 0 H LYS A 11 -8.853 3.948 4.186 1.00 6.93 H new ATOM 0 HA LYS A 11 -6.712 4.192 6.288 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.210 2.906 6.352 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -8.091 1.609 5.983 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -6.722 2.115 7.942 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -7.578 3.617 8.230 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -9.599 2.474 8.888 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -9.065 0.954 8.200 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -8.652 0.650 10.521 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -7.074 1.101 9.905 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -7.645 2.387 11.877 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -7.521 3.414 10.531 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -9.049 2.977 11.128 1.00 9.69 H new ATOM 137 N THR A 12 -5.388 2.110 5.188 1.00 6.02 N ATOM 138 CA THR A 12 -4.466 1.346 4.291 1.00 5.35 C ATOM 139 C THR A 12 -4.157 -0.040 4.860 1.00 5.31 C ATOM 140 O THR A 12 -4.720 -0.466 5.852 1.00 5.80 O ATOM 141 CB THR A 12 -3.156 2.115 4.085 1.00 5.23 C ATOM 142 OG1 THR A 12 -2.979 3.086 5.114 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.187 2.794 2.717 1.00 5.32 C ATOM 0 H THR A 12 -5.188 2.041 6.186 1.00 6.02 H new ATOM 0 HA THR A 12 -4.970 1.224 3.332 1.00 5.35 H new ATOM 0 HB THR A 12 -2.318 1.419 4.129 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.350 3.774 4.810 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.258 3.343 2.562 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.296 2.039 1.938 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.029 3.485 2.673 1.00 5.32 H new ATOM 151 N TYR A 13 -3.269 -0.748 4.207 1.00 4.96 N ATOM 152 CA TYR A 13 -2.901 -2.120 4.646 1.00 5.03 C ATOM 153 C TYR A 13 -1.629 -2.081 5.497 1.00 5.08 C ATOM 154 O TYR A 13 -0.584 -1.641 5.051 1.00 4.67 O ATOM 155 CB TYR A 13 -2.656 -2.976 3.398 1.00 4.85 C ATOM 156 CG TYR A 13 -2.845 -4.438 3.704 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.767 -4.845 4.671 1.00 5.75 C ATOM 158 CD2 TYR A 13 -2.086 -5.383 3.010 1.00 5.34 C ATOM 159 CE1 TYR A 13 -3.932 -6.206 4.950 1.00 6.30 C ATOM 160 CE2 TYR A 13 -2.248 -6.747 3.286 1.00 5.79 C ATOM 161 CZ TYR A 13 -3.171 -7.160 4.258 1.00 6.23 C ATOM 162 OH TYR A 13 -3.330 -8.504 4.533 1.00 6.84 O ATOM 0 H TYR A 13 -2.778 -0.423 3.374 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.707 -2.543 5.246 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.341 -2.675 2.605 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.645 -2.805 3.028 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.352 -4.110 5.203 1.00 5.75 H new ATOM 0 HD2 TYR A 13 -1.376 -5.063 2.262 1.00 5.34 H new ATOM 0 HE1 TYR A 13 -4.645 -6.522 5.697 1.00 6.30 H new ATOM 0 HE2 TYR A 13 -1.663 -7.480 2.751 1.00 5.79 H new ATOM 0 HH TYR A 13 -2.728 -9.028 3.964 1.00 6.84 H new ATOM 172 N SER A 14 -1.710 -2.560 6.712 1.00 5.82 N ATOM 173 CA SER A 14 -0.511 -2.585 7.603 1.00 6.06 C ATOM 174 C SER A 14 0.136 -3.973 7.534 1.00 6.51 C ATOM 175 O SER A 14 1.339 -4.109 7.662 1.00 6.88 O ATOM 176 CB SER A 14 -0.931 -2.284 9.043 1.00 6.42 C ATOM 177 OG SER A 14 0.216 -1.914 9.800 1.00 6.80 O ATOM 0 H SER A 14 -2.561 -2.938 7.128 1.00 5.82 H new ATOM 0 HA SER A 14 0.204 -1.830 7.276 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.666 -1.480 9.059 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.406 -3.159 9.486 1.00 6.42 H new ATOM 0 HG SER A 14 -0.050 -1.719 10.723 1.00 6.80 H new ATOM 183 N LYS A 15 -0.654 -5.002 7.317 1.00 6.59 N ATOM 184 CA LYS A 15 -0.085 -6.381 7.221 1.00 7.06 C ATOM 185 C LYS A 15 0.580 -6.532 5.848 1.00 6.32 C ATOM 186 O LYS A 15 0.044 -6.087 4.857 1.00 6.13 O ATOM 187 CB LYS A 15 -1.174 -7.455 7.362 1.00 7.75 C ATOM 188 CG LYS A 15 -2.439 -6.892 8.027 1.00 8.64 C ATOM 189 CD LYS A 15 -3.369 -8.044 8.416 1.00 9.43 C ATOM 190 CE LYS A 15 -4.799 -7.520 8.555 1.00 10.20 C ATOM 191 NZ LYS A 15 -5.679 -8.601 9.085 1.00 10.59 N ATOM 0 H LYS A 15 -1.666 -4.943 7.203 1.00 6.59 H new ATOM 0 HA LYS A 15 0.632 -6.518 8.030 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.425 -7.851 6.378 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.791 -8.287 7.953 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -2.171 -6.313 8.911 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.950 -6.213 7.344 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -3.330 -8.828 7.660 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -3.041 -8.489 9.355 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.818 -6.660 9.225 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -5.168 -7.179 7.588 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -6.651 -8.243 9.179 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -5.669 -9.409 8.430 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -5.331 -8.906 10.016 1.00 10.59 H new ATOM 205 N PRO A 16 1.739 -7.138 5.837 1.00 6.02 N ATOM 206 CA PRO A 16 2.518 -7.340 4.605 1.00 5.35 C ATOM 207 C PRO A 16 2.045 -8.584 3.846 1.00 5.50 C ATOM 208 O PRO A 16 1.428 -9.473 4.405 1.00 6.37 O ATOM 209 CB PRO A 16 3.942 -7.525 5.123 1.00 5.39 C ATOM 210 CG PRO A 16 3.821 -7.997 6.595 1.00 6.26 C ATOM 211 CD PRO A 16 2.384 -7.674 7.047 1.00 6.51 C ATOM 0 HA PRO A 16 2.420 -6.515 3.899 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.480 -8.260 4.524 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.501 -6.592 5.060 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.021 -9.065 6.677 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.549 -7.487 7.226 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.871 -8.564 7.411 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.375 -6.947 7.859 1.00 6.51 H new ATOM 219 N PHE A 17 2.346 -8.648 2.573 1.00 4.76 N ATOM 220 CA PHE A 17 1.936 -9.832 1.752 1.00 4.96 C ATOM 221 C PHE A 17 2.785 -9.891 0.471 1.00 4.78 C ATOM 222 O PHE A 17 3.271 -8.881 -0.010 1.00 4.77 O ATOM 223 CB PHE A 17 0.432 -9.754 1.415 1.00 4.69 C ATOM 224 CG PHE A 17 0.150 -8.704 0.360 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.208 -7.340 0.681 1.00 3.29 C ATOM 226 CD2 PHE A 17 -0.181 -9.100 -0.943 1.00 3.74 C ATOM 227 CE1 PHE A 17 -0.065 -6.379 -0.300 1.00 2.59 C ATOM 228 CE2 PHE A 17 -0.454 -8.137 -1.922 1.00 3.14 C ATOM 229 CZ PHE A 17 -0.394 -6.778 -1.599 1.00 2.38 C ATOM 0 H PHE A 17 2.860 -7.929 2.064 1.00 4.76 H new ATOM 0 HA PHE A 17 2.105 -10.744 2.324 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.087 -10.726 1.063 1.00 4.69 H new ATOM 0 HB3 PHE A 17 -0.132 -9.523 2.319 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.463 -7.031 1.684 1.00 3.29 H new ATOM 0 HD2 PHE A 17 -0.226 -10.150 -1.192 1.00 3.74 H new ATOM 0 HE1 PHE A 17 -0.021 -5.329 -0.053 1.00 2.59 H new ATOM 0 HE2 PHE A 17 -0.711 -8.444 -2.925 1.00 3.14 H new ATOM 0 HZ PHE A 17 -0.602 -6.035 -2.355 1.00 2.38 H new ATOM 239 N HIS A 18 2.978 -11.072 -0.069 1.00 4.92 N ATOM 240 CA HIS A 18 3.807 -11.228 -1.304 1.00 5.06 C ATOM 241 C HIS A 18 3.149 -10.470 -2.491 1.00 4.32 C ATOM 242 O HIS A 18 1.942 -10.482 -2.639 1.00 4.10 O ATOM 243 CB HIS A 18 3.971 -12.724 -1.573 1.00 5.95 C ATOM 244 CG HIS A 18 4.551 -12.927 -2.923 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.914 -12.990 -3.163 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.950 -13.060 -4.122 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.069 -13.154 -4.488 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.902 -13.210 -5.108 1.00 7.07 N ATOM 0 H HIS A 18 2.592 -11.942 0.298 1.00 4.92 H new ATOM 0 HA HIS A 18 4.796 -10.789 -1.175 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.618 -13.171 -0.818 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.005 -13.224 -1.502 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.657 -12.924 -2.468 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.883 -13.051 -4.286 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.025 -13.230 -4.984 1.00 6.81 H new ATOM 256 N PRO A 19 3.984 -9.776 -3.256 1.00 4.16 N ATOM 257 CA PRO A 19 3.546 -8.917 -4.392 1.00 3.77 C ATOM 258 C PRO A 19 3.169 -9.664 -5.681 1.00 4.27 C ATOM 259 O PRO A 19 2.248 -9.256 -6.359 1.00 4.32 O ATOM 260 CB PRO A 19 4.765 -8.031 -4.656 1.00 3.96 C ATOM 261 CG PRO A 19 5.987 -8.786 -4.095 1.00 4.62 C ATOM 262 CD PRO A 19 5.450 -9.783 -3.055 1.00 4.65 C ATOM 0 HA PRO A 19 2.629 -8.393 -4.122 1.00 3.77 H new ATOM 0 HB2 PRO A 19 4.883 -7.842 -5.723 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.652 -7.062 -4.171 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.520 -9.306 -4.891 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.694 -8.093 -3.638 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.867 -10.779 -3.208 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.713 -9.479 -2.042 1.00 4.65 H new ATOM 270 N LYS A 20 3.880 -10.701 -6.067 1.00 4.91 N ATOM 271 CA LYS A 20 3.540 -11.399 -7.362 1.00 5.52 C ATOM 272 C LYS A 20 2.039 -11.732 -7.434 1.00 5.00 C ATOM 273 O LYS A 20 1.470 -11.773 -8.510 1.00 5.39 O ATOM 274 CB LYS A 20 4.363 -12.666 -7.548 1.00 6.44 C ATOM 275 CG LYS A 20 4.300 -13.118 -9.011 1.00 7.16 C ATOM 276 CD LYS A 20 5.414 -14.132 -9.286 1.00 7.91 C ATOM 277 CE LYS A 20 5.059 -15.478 -8.646 1.00 8.41 C ATOM 278 NZ LYS A 20 4.459 -16.381 -9.672 1.00 8.95 N ATOM 0 H LYS A 20 4.670 -11.093 -5.554 1.00 4.91 H new ATOM 0 HA LYS A 20 3.786 -10.711 -8.171 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.398 -12.484 -7.259 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.985 -13.455 -6.898 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.328 -13.564 -9.222 1.00 7.16 H new ATOM 0 HG3 LYS A 20 4.406 -12.258 -9.672 1.00 7.16 H new ATOM 0 HD2 LYS A 20 5.550 -14.254 -10.361 1.00 7.91 H new ATOM 0 HD3 LYS A 20 6.359 -13.766 -8.885 1.00 7.91 H new ATOM 0 HE2 LYS A 20 5.952 -15.937 -8.222 1.00 8.41 H new ATOM 0 HE3 LYS A 20 4.358 -15.328 -7.825 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 4.219 -17.293 -9.234 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 3.597 -15.945 -10.057 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 5.142 -16.535 -10.441 1.00 8.95 H new ATOM 292 N PHE A 21 1.381 -11.935 -6.307 1.00 4.37 N ATOM 293 CA PHE A 21 -0.087 -12.219 -6.335 1.00 4.15 C ATOM 294 C PHE A 21 -0.803 -11.028 -6.984 1.00 3.56 C ATOM 295 O PHE A 21 -1.745 -11.185 -7.735 1.00 3.88 O ATOM 296 CB PHE A 21 -0.626 -12.388 -4.915 1.00 4.02 C ATOM 297 CG PHE A 21 0.180 -13.392 -4.115 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.795 -14.486 -4.741 1.00 5.11 C ATOM 299 CD2 PHE A 21 0.296 -13.228 -2.728 1.00 5.12 C ATOM 300 CE1 PHE A 21 1.526 -15.407 -3.980 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.022 -14.150 -1.970 1.00 5.85 C ATOM 302 CZ PHE A 21 1.639 -15.239 -2.594 1.00 6.13 C ATOM 0 H PHE A 21 1.801 -11.915 -5.378 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.261 -13.136 -6.897 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.612 -11.424 -4.406 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.666 -12.711 -4.959 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.705 -14.618 -5.809 1.00 5.11 H new ATOM 0 HD2 PHE A 21 -0.177 -12.387 -2.244 1.00 5.12 H new ATOM 0 HE1 PHE A 21 2.003 -16.247 -4.462 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.107 -14.022 -0.901 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.202 -15.950 -2.008 1.00 6.13 H new ATOM 312 N ILE A 22 -0.337 -9.836 -6.689 1.00 2.94 N ATOM 313 CA ILE A 22 -0.940 -8.592 -7.259 1.00 2.62 C ATOM 314 C ILE A 22 -0.816 -8.605 -8.786 1.00 3.41 C ATOM 315 O ILE A 22 0.266 -8.704 -9.333 1.00 4.13 O ATOM 316 CB ILE A 22 -0.187 -7.375 -6.697 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.345 -7.328 -5.174 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.751 -6.090 -7.302 1.00 2.53 C ATOM 319 CD1 ILE A 22 0.771 -6.473 -4.568 1.00 2.47 C ATOM 0 H ILE A 22 0.452 -9.673 -6.064 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.995 -8.539 -6.988 1.00 2.62 H new ATOM 0 HB ILE A 22 0.869 -7.463 -6.953 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -1.318 -6.913 -4.912 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.308 -8.337 -4.763 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.213 -5.232 -6.900 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.634 -6.116 -8.385 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.809 -6.004 -7.053 1.00 2.53 H new ATOM 0 HD11 ILE A 22 0.657 -6.441 -3.484 1.00 2.47 H new ATOM 0 HD12 ILE A 22 1.739 -6.907 -4.818 1.00 2.47 H new ATOM 0 HD13 ILE A 22 0.713 -5.461 -4.969 1.00 2.47 H new ATOM 331 N LYS A 23 -1.924 -8.484 -9.471 1.00 3.62 N ATOM 332 CA LYS A 23 -1.896 -8.462 -10.962 1.00 4.61 C ATOM 333 C LYS A 23 -1.795 -7.006 -11.447 1.00 5.00 C ATOM 334 O LYS A 23 -1.377 -6.748 -12.560 1.00 5.88 O ATOM 335 CB LYS A 23 -3.179 -9.097 -11.507 1.00 5.10 C ATOM 336 CG LYS A 23 -2.935 -9.617 -12.927 1.00 5.85 C ATOM 337 CD LYS A 23 -4.246 -10.150 -13.517 1.00 6.35 C ATOM 338 CE LYS A 23 -4.361 -11.656 -13.251 1.00 6.93 C ATOM 339 NZ LYS A 23 -3.446 -12.401 -14.165 1.00 7.72 N ATOM 0 H LYS A 23 -2.852 -8.399 -9.057 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.035 -9.026 -11.320 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.495 -9.915 -10.859 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.986 -8.364 -11.511 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.542 -8.817 -13.554 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.185 -10.408 -12.911 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -5.094 -9.627 -13.074 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -4.278 -9.957 -14.589 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.108 -11.872 -12.213 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -5.389 -11.984 -13.404 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -3.744 -13.396 -14.220 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -3.481 -11.976 -15.114 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -2.474 -12.351 -13.799 1.00 7.72 H new ATOM 353 N GLU A 24 -2.175 -6.055 -10.618 1.00 4.51 N ATOM 354 CA GLU A 24 -2.100 -4.621 -11.030 1.00 5.13 C ATOM 355 C GLU A 24 -1.767 -3.751 -9.808 1.00 4.55 C ATOM 356 O GLU A 24 -2.590 -3.568 -8.928 1.00 4.65 O ATOM 357 CB GLU A 24 -3.447 -4.189 -11.619 1.00 5.78 C ATOM 358 CG GLU A 24 -3.212 -3.469 -12.947 1.00 6.35 C ATOM 359 CD GLU A 24 -4.557 -3.174 -13.616 1.00 7.36 C ATOM 360 OE1 GLU A 24 -5.025 -4.019 -14.361 1.00 7.92 O ATOM 361 OE2 GLU A 24 -5.097 -2.107 -13.373 1.00 7.77 O ATOM 0 H GLU A 24 -2.533 -6.216 -9.676 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.320 -4.499 -11.782 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.085 -5.059 -11.772 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.967 -3.531 -10.923 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.667 -2.540 -12.777 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -2.596 -4.085 -13.602 1.00 6.35 H new HETATM 368 N MLE A 25 -0.565 -3.216 -9.741 1.00 4.25 N HETATM 369 CN MLE A 25 0.033 -2.680 -11.007 1.00 5.13 C HETATM 370 CA MLE A 25 -0.187 -2.360 -8.563 1.00 3.66 C HETATM 371 CB MLE A 25 1.174 -2.812 -8.006 1.00 3.52 C HETATM 372 CG MLE A 25 1.746 -1.729 -7.074 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.273 -2.371 -5.793 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.888 -0.989 -7.782 1.00 3.54 C HETATM 375 C MLE A 25 -0.103 -0.892 -8.998 1.00 4.19 C HETATM 376 O MLE A 25 0.857 -0.476 -9.624 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.676 -1.697 -8.040 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.510 -0.521 -8.691 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.291 -0.223 -7.120 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.460 -2.889 -5.285 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.060 -3.084 -6.040 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.676 -1.599 -5.138 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.330 -1.667 -11.180 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.119 -2.666 -10.919 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.255 -3.317 -11.844 1.00 5.13 H new HETATM 0 HG MLE A 25 0.955 -1.022 -6.823 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.060 -3.749 -7.461 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.867 -3.001 -8.826 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.945 -2.464 -7.787 1.00 3.66 H new ATOM 390 N ARG A 26 -1.089 -0.102 -8.678 1.00 4.14 N ATOM 391 CA ARG A 26 -1.032 1.325 -9.086 1.00 4.79 C ATOM 392 C ARG A 26 -1.112 2.227 -7.847 1.00 4.70 C ATOM 393 O ARG A 26 -2.068 2.184 -7.096 1.00 4.97 O ATOM 394 CB ARG A 26 -2.183 1.649 -10.054 1.00 5.59 C ATOM 395 CG ARG A 26 -3.537 1.296 -9.425 1.00 5.99 C ATOM 396 CD ARG A 26 -4.510 0.851 -10.520 1.00 6.35 C ATOM 397 NE ARG A 26 -5.061 -0.494 -10.185 1.00 7.16 N ATOM 398 CZ ARG A 26 -6.353 -0.683 -10.162 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.014 -0.816 -11.283 1.00 8.32 N ATOM 400 NH2 ARG A 26 -6.986 -0.738 -9.018 1.00 8.52 N ATOM 0 H ARG A 26 -1.921 -0.380 -8.158 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.087 1.508 -9.597 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.161 2.708 -10.311 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.052 1.093 -10.982 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.412 0.501 -8.690 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.940 2.159 -8.895 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -5.321 1.573 -10.616 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -3.999 0.816 -11.482 1.00 6.35 H new ATOM 0 HE ARG A 26 -4.429 -1.266 -9.974 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -6.520 -0.772 -12.174 1.00 8.32 H new ATOM 0 HH12 ARG A 26 -8.023 -0.964 -11.266 1.00 8.32 H new ATOM 0 HH21 ARG A 26 -6.470 -0.633 -8.144 1.00 8.52 H new ATOM 0 HH22 ARG A 26 -7.995 -0.886 -9.000 1.00 8.52 H new ATOM 414 N VAL A 27 -0.107 3.043 -7.629 1.00 4.69 N ATOM 415 CA VAL A 27 -0.110 3.950 -6.443 1.00 4.83 C ATOM 416 C VAL A 27 -0.753 5.293 -6.814 1.00 4.79 C ATOM 417 O VAL A 27 -0.688 5.731 -7.949 1.00 5.45 O ATOM 418 CB VAL A 27 1.333 4.183 -5.971 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.906 2.881 -5.409 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.207 4.654 -7.141 1.00 6.04 C ATOM 0 H VAL A 27 0.717 3.118 -8.226 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.685 3.488 -5.641 1.00 4.83 H new ATOM 0 HB VAL A 27 1.328 4.950 -5.197 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.930 3.048 -5.075 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.299 2.550 -4.567 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.898 2.115 -6.185 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.227 4.815 -6.792 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.207 3.895 -7.924 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.809 5.587 -7.540 1.00 6.04 H new ATOM 430 N ILE A 28 -1.373 5.951 -5.861 1.00 4.28 N ATOM 431 CA ILE A 28 -2.021 7.267 -6.149 1.00 4.40 C ATOM 432 C ILE A 28 -1.079 8.399 -5.725 1.00 4.70 C ATOM 433 O ILE A 28 -0.461 8.340 -4.678 1.00 5.01 O ATOM 434 CB ILE A 28 -3.342 7.378 -5.370 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.238 6.168 -5.679 1.00 4.94 C ATOM 436 CG2 ILE A 28 -4.073 8.666 -5.769 1.00 4.49 C ATOM 437 CD1 ILE A 28 -4.440 6.025 -7.194 1.00 5.05 C ATOM 0 H ILE A 28 -1.457 5.631 -4.896 1.00 4.28 H new ATOM 0 HA ILE A 28 -2.228 7.343 -7.217 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.121 7.400 -4.303 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.786 5.261 -5.279 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -5.203 6.287 -5.187 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -5.008 8.740 -5.214 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.445 9.527 -5.539 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -4.285 8.648 -6.838 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -5.077 5.164 -7.396 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -4.913 6.926 -7.585 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -3.474 5.884 -7.678 1.00 5.05 H new ATOM 449 N GLU A 29 -0.971 9.428 -6.531 1.00 5.08 N ATOM 450 CA GLU A 29 -0.073 10.571 -6.185 1.00 5.75 C ATOM 451 C GLU A 29 -0.652 11.364 -5.007 1.00 5.30 C ATOM 452 O GLU A 29 -1.736 11.085 -4.524 1.00 4.95 O ATOM 453 CB GLU A 29 0.075 11.497 -7.397 1.00 6.63 C ATOM 454 CG GLU A 29 -1.308 11.878 -7.946 1.00 7.40 C ATOM 455 CD GLU A 29 -1.323 13.362 -8.318 1.00 8.35 C ATOM 456 OE1 GLU A 29 -1.400 14.180 -7.415 1.00 8.53 O ATOM 457 OE2 GLU A 29 -1.259 13.657 -9.501 1.00 9.09 O ATOM 0 H GLU A 29 -1.469 9.524 -7.416 1.00 5.08 H new ATOM 0 HA GLU A 29 0.903 10.176 -5.903 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.621 12.396 -7.112 1.00 6.63 H new ATOM 0 HB3 GLU A 29 0.659 11.002 -8.173 1.00 6.63 H new ATOM 0 HG2 GLU A 29 -1.543 11.271 -8.821 1.00 7.40 H new ATOM 0 HG3 GLU A 29 -2.076 11.672 -7.200 1.00 7.40 H new ATOM 464 N SER A 30 0.069 12.354 -4.544 1.00 5.67 N ATOM 465 CA SER A 30 -0.419 13.175 -3.396 1.00 5.68 C ATOM 466 C SER A 30 -0.787 14.586 -3.868 1.00 6.20 C ATOM 467 O SER A 30 -0.292 15.072 -4.869 1.00 6.77 O ATOM 468 CB SER A 30 0.671 13.269 -2.326 1.00 6.35 C ATOM 469 OG SER A 30 1.956 13.186 -2.933 1.00 7.18 O ATOM 0 H SER A 30 0.979 12.629 -4.914 1.00 5.67 H new ATOM 0 HA SER A 30 -1.304 12.696 -2.978 1.00 5.68 H new ATOM 0 HB2 SER A 30 0.577 14.208 -1.781 1.00 6.35 H new ATOM 0 HB3 SER A 30 0.550 12.465 -1.600 1.00 6.35 H new ATOM 0 HG SER A 30 2.649 13.249 -2.243 1.00 7.18 H new ATOM 475 N GLY A 31 -1.655 15.242 -3.141 1.00 6.36 N ATOM 476 CA GLY A 31 -2.082 16.627 -3.513 1.00 7.19 C ATOM 477 C GLY A 31 -3.154 17.107 -2.522 1.00 7.66 C ATOM 478 O GLY A 31 -3.193 16.650 -1.396 1.00 7.75 O ATOM 0 H GLY A 31 -2.091 14.874 -2.296 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.226 17.301 -3.496 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.477 16.638 -4.529 1.00 7.19 H new ATOM 482 N PRO A 32 -4.017 17.991 -2.976 1.00 8.17 N ATOM 483 CA PRO A 32 -5.124 18.510 -2.146 1.00 8.85 C ATOM 484 C PRO A 32 -6.186 17.411 -2.005 1.00 8.11 C ATOM 485 O PRO A 32 -6.779 17.230 -0.958 1.00 8.52 O ATOM 486 CB PRO A 32 -5.642 19.715 -2.938 1.00 9.69 C ATOM 487 CG PRO A 32 -5.193 19.498 -4.401 1.00 9.20 C ATOM 488 CD PRO A 32 -3.981 18.547 -4.349 1.00 8.39 C ATOM 0 HA PRO A 32 -4.836 18.798 -1.135 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.728 19.787 -2.871 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -5.236 20.645 -2.541 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.999 19.067 -4.995 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.924 20.445 -4.869 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.059 17.761 -5.100 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -3.049 19.079 -4.540 1.00 8.39 H new ATOM 496 N HIS A 33 -6.387 16.659 -3.060 1.00 7.21 N ATOM 497 CA HIS A 33 -7.360 15.524 -3.047 1.00 6.64 C ATOM 498 C HIS A 33 -6.945 14.507 -1.969 1.00 5.94 C ATOM 499 O HIS A 33 -7.778 13.881 -1.339 1.00 6.05 O ATOM 500 CB HIS A 33 -7.349 14.837 -4.429 1.00 6.27 C ATOM 501 CG HIS A 33 -5.958 14.329 -4.739 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.945 15.161 -5.195 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.388 13.089 -4.606 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.828 14.423 -5.306 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.042 13.150 -4.963 1.00 5.23 N ATOM 0 H HIS A 33 -5.905 16.789 -3.950 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.360 15.898 -2.827 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.059 14.010 -4.439 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.668 15.541 -5.198 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -5.904 12.200 -4.275 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.874 14.811 -5.632 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.366 12.386 -4.962 1.00 5.23 H new ATOM 513 N CYS A 34 -5.656 14.348 -1.761 1.00 5.51 N ATOM 514 CA CYS A 34 -5.147 13.393 -0.742 1.00 5.12 C ATOM 515 C CYS A 34 -3.666 13.699 -0.481 1.00 5.54 C ATOM 516 O CYS A 34 -2.800 13.316 -1.249 1.00 5.84 O ATOM 517 CB CYS A 34 -5.302 11.955 -1.254 1.00 4.12 C ATOM 518 SG CYS A 34 -5.628 10.844 0.139 1.00 4.37 S ATOM 0 H CYS A 34 -4.929 14.853 -2.268 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.715 13.497 0.183 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.119 11.901 -1.974 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.396 11.645 -1.775 1.00 4.12 H new ATOM 523 N ALA A 35 -3.374 14.401 0.587 1.00 5.90 N ATOM 524 CA ALA A 35 -1.952 14.755 0.902 1.00 6.66 C ATOM 525 C ALA A 35 -1.128 13.487 1.152 1.00 6.33 C ATOM 526 O ALA A 35 0.017 13.396 0.748 1.00 6.77 O ATOM 527 CB ALA A 35 -1.911 15.641 2.149 1.00 7.59 C ATOM 0 H ALA A 35 -4.061 14.746 1.257 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.527 15.291 0.053 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.877 15.899 2.378 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -2.480 16.553 1.967 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.347 15.104 2.992 1.00 7.59 H new ATOM 533 N ASN A 36 -1.698 12.513 1.816 1.00 5.85 N ATOM 534 CA ASN A 36 -0.952 11.253 2.097 1.00 5.88 C ATOM 535 C ASN A 36 -0.983 10.344 0.864 1.00 5.34 C ATOM 536 O ASN A 36 -2.037 10.035 0.337 1.00 5.26 O ATOM 537 CB ASN A 36 -1.604 10.531 3.281 1.00 6.50 C ATOM 538 CG ASN A 36 -1.047 11.093 4.591 1.00 7.27 C ATOM 539 OD1 ASN A 36 -0.115 10.550 5.149 1.00 7.78 O ATOM 540 ND2 ASN A 36 -1.579 12.169 5.108 1.00 7.61 N ATOM 0 H ASN A 36 -2.652 12.539 2.176 1.00 5.85 H new ATOM 0 HA ASN A 36 0.083 11.493 2.338 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.686 10.660 3.248 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.409 9.460 3.220 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -1.211 12.552 5.979 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -2.362 12.626 4.640 1.00 7.61 H new ATOM 547 N THR A 37 0.168 9.911 0.406 1.00 5.30 N ATOM 548 CA THR A 37 0.220 9.015 -0.790 1.00 5.18 C ATOM 549 C THR A 37 -0.341 7.640 -0.407 1.00 4.58 C ATOM 550 O THR A 37 0.013 7.083 0.616 1.00 4.95 O ATOM 551 CB THR A 37 1.673 8.868 -1.263 1.00 5.98 C ATOM 552 OG1 THR A 37 2.276 10.153 -1.346 1.00 6.76 O ATOM 553 CG2 THR A 37 1.705 8.204 -2.642 1.00 6.31 C ATOM 0 H THR A 37 1.075 10.141 0.811 1.00 5.30 H new ATOM 0 HA THR A 37 -0.374 9.443 -1.597 1.00 5.18 H new ATOM 0 HB THR A 37 2.221 8.250 -0.552 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.204 10.060 -1.646 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.739 8.102 -2.973 1.00 6.31 H new ATOM 0 HG22 THR A 37 1.244 7.218 -2.582 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.155 8.819 -3.355 1.00 6.31 H new ATOM 561 N GLU A 38 -1.221 7.097 -1.213 1.00 3.94 N ATOM 562 CA GLU A 38 -1.817 5.768 -0.893 1.00 3.67 C ATOM 563 C GLU A 38 -1.577 4.799 -2.053 1.00 2.99 C ATOM 564 O GLU A 38 -1.829 5.115 -3.200 1.00 3.33 O ATOM 565 CB GLU A 38 -3.329 5.909 -0.659 1.00 4.35 C ATOM 566 CG GLU A 38 -3.902 7.067 -1.488 1.00 4.96 C ATOM 567 CD GLU A 38 -5.384 6.814 -1.771 1.00 5.76 C ATOM 568 OE1 GLU A 38 -6.200 7.234 -0.966 1.00 6.28 O ATOM 569 OE2 GLU A 38 -5.680 6.207 -2.786 1.00 6.10 O ATOM 0 H GLU A 38 -1.551 7.520 -2.080 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.346 5.382 0.011 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.832 4.980 -0.928 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.523 6.082 0.399 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -3.780 8.007 -0.950 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.354 7.162 -2.425 1.00 4.96 H new ATOM 576 N ILE A 39 -1.103 3.616 -1.755 1.00 2.48 N ATOM 577 CA ILE A 39 -0.856 2.606 -2.829 1.00 2.38 C ATOM 578 C ILE A 39 -2.165 1.849 -3.105 1.00 2.16 C ATOM 579 O ILE A 39 -3.042 1.802 -2.266 1.00 2.22 O ATOM 580 CB ILE A 39 0.235 1.631 -2.346 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.588 2.353 -2.311 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.330 0.428 -3.292 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.080 2.474 -0.867 1.00 2.94 C ATOM 0 H ILE A 39 -0.876 3.305 -0.811 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.523 3.090 -3.747 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.025 1.280 -1.347 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.317 1.805 -2.908 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.492 3.344 -2.755 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.105 -0.252 -2.939 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.627 -0.093 -3.316 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.580 0.773 -4.295 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.041 2.988 -0.852 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.356 3.041 -0.282 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.194 1.479 -0.437 1.00 2.94 H new ATOM 595 N ILE A 40 -2.303 1.254 -4.266 1.00 2.34 N ATOM 596 CA ILE A 40 -3.553 0.488 -4.576 1.00 2.36 C ATOM 597 C ILE A 40 -3.202 -0.717 -5.449 1.00 2.37 C ATOM 598 O ILE A 40 -2.927 -0.590 -6.627 1.00 3.02 O ATOM 599 CB ILE A 40 -4.579 1.364 -5.302 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.915 2.583 -4.438 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.853 0.541 -5.544 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.842 3.527 -5.208 1.00 4.01 C ATOM 0 H ILE A 40 -1.606 1.265 -5.011 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.995 0.157 -3.636 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.169 1.701 -6.254 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.394 2.263 -3.513 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -4.000 3.105 -4.159 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.590 1.155 -6.061 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.613 -0.329 -6.155 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.261 0.212 -4.588 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -6.077 4.392 -4.588 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.347 3.859 -6.121 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.763 3.003 -5.465 1.00 4.01 H new ATOM 614 N VAL A 41 -3.205 -1.880 -4.866 1.00 2.04 N ATOM 615 CA VAL A 41 -2.872 -3.117 -5.617 1.00 2.10 C ATOM 616 C VAL A 41 -4.150 -3.925 -5.891 1.00 2.33 C ATOM 617 O VAL A 41 -5.197 -3.663 -5.328 1.00 2.79 O ATOM 618 CB VAL A 41 -1.895 -3.952 -4.780 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.627 -3.138 -4.509 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.540 -4.342 -3.444 1.00 3.20 C ATOM 0 H VAL A 41 -3.429 -2.027 -3.882 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.414 -2.858 -6.572 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.643 -4.857 -5.333 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.067 -3.732 -3.914 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.157 -2.871 -5.455 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.887 -2.230 -3.964 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.836 -4.934 -2.859 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.803 -3.441 -2.890 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.439 -4.928 -3.632 1.00 3.20 H new ATOM 630 N LYS A 42 -4.063 -4.905 -6.753 1.00 2.44 N ATOM 631 CA LYS A 42 -5.252 -5.749 -7.076 1.00 2.97 C ATOM 632 C LYS A 42 -4.827 -7.223 -7.098 1.00 2.77 C ATOM 633 O LYS A 42 -4.174 -7.674 -8.021 1.00 2.98 O ATOM 634 CB LYS A 42 -5.810 -5.353 -8.450 1.00 3.77 C ATOM 635 CG LYS A 42 -7.230 -4.799 -8.290 1.00 4.68 C ATOM 636 CD LYS A 42 -8.248 -5.848 -8.752 1.00 5.42 C ATOM 637 CE LYS A 42 -9.602 -5.177 -8.996 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.498 -6.109 -9.741 1.00 6.76 N ATOM 0 H LYS A 42 -3.210 -5.159 -7.252 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.024 -5.599 -6.322 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.167 -4.604 -8.912 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.819 -6.218 -9.113 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.413 -4.535 -7.248 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.343 -3.886 -8.875 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.900 -6.330 -9.666 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -8.348 -6.629 -7.998 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -10.058 -4.901 -8.045 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -9.466 -4.257 -9.564 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -11.417 -5.650 -9.905 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.064 -6.352 -10.654 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.638 -6.976 -9.183 1.00 6.76 H new ATOM 652 N LEU A 43 -5.182 -7.970 -6.079 1.00 3.01 N ATOM 653 CA LEU A 43 -4.798 -9.412 -6.015 1.00 3.31 C ATOM 654 C LEU A 43 -5.380 -10.179 -7.205 1.00 3.92 C ATOM 655 O LEU A 43 -6.472 -9.895 -7.670 1.00 4.54 O ATOM 656 CB LEU A 43 -5.334 -10.019 -4.719 1.00 4.01 C ATOM 657 CG LEU A 43 -4.496 -9.523 -3.533 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.186 -9.899 -2.220 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.105 -10.166 -3.579 1.00 3.91 C ATOM 0 H LEU A 43 -5.726 -7.637 -5.283 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.711 -9.486 -6.046 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.379 -9.741 -4.580 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.298 -11.107 -4.773 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.398 -8.439 -3.594 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.588 -9.545 -1.380 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.173 -9.438 -2.182 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.289 -10.982 -2.161 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.512 -9.812 -2.736 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.203 -11.250 -3.524 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.609 -9.894 -4.511 1.00 3.91 H new ATOM 671 N SER A 44 -4.645 -11.156 -7.688 1.00 3.99 N ATOM 672 CA SER A 44 -5.104 -11.982 -8.848 1.00 4.72 C ATOM 673 C SER A 44 -6.440 -12.668 -8.526 1.00 5.55 C ATOM 674 O SER A 44 -7.218 -12.958 -9.418 1.00 6.08 O ATOM 675 CB SER A 44 -4.046 -13.043 -9.167 1.00 4.98 C ATOM 676 OG SER A 44 -4.358 -13.661 -10.411 1.00 5.08 O ATOM 0 H SER A 44 -3.731 -11.418 -7.319 1.00 3.99 H new ATOM 0 HA SER A 44 -5.246 -11.330 -9.710 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.058 -12.585 -9.213 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.014 -13.791 -8.375 1.00 4.98 H new ATOM 0 HG SER A 44 -3.682 -14.339 -10.618 1.00 5.08 H new ATOM 682 N ASP A 45 -6.720 -12.915 -7.265 1.00 5.91 N ATOM 683 CA ASP A 45 -8.010 -13.562 -6.891 1.00 7.02 C ATOM 684 C ASP A 45 -9.184 -12.612 -7.196 1.00 7.25 C ATOM 685 O ASP A 45 -10.336 -13.007 -7.148 1.00 8.19 O ATOM 686 CB ASP A 45 -8.002 -13.889 -5.392 1.00 7.64 C ATOM 687 CG ASP A 45 -7.108 -15.104 -5.136 1.00 8.01 C ATOM 688 OD1 ASP A 45 -5.925 -14.908 -4.908 1.00 7.89 O ATOM 689 OD2 ASP A 45 -7.622 -16.211 -5.171 1.00 8.63 O ATOM 0 H ASP A 45 -6.106 -12.694 -6.481 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.129 -14.478 -7.469 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.639 -13.032 -4.825 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.016 -14.092 -5.049 1.00 7.64 H new ATOM 694 N GLY A 46 -8.901 -11.362 -7.498 1.00 6.57 N ATOM 695 CA GLY A 46 -9.982 -10.380 -7.792 1.00 7.07 C ATOM 696 C GLY A 46 -10.220 -9.516 -6.554 1.00 6.74 C ATOM 697 O GLY A 46 -11.337 -9.122 -6.273 1.00 7.17 O ATOM 0 H GLY A 46 -7.955 -10.984 -7.552 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.702 -9.754 -8.639 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -10.898 -10.901 -8.069 1.00 7.07 H new ATOM 701 N ARG A 47 -9.180 -9.228 -5.804 1.00 6.21 N ATOM 702 CA ARG A 47 -9.345 -8.403 -4.574 1.00 6.07 C ATOM 703 C ARG A 47 -8.684 -7.032 -4.770 1.00 5.32 C ATOM 704 O ARG A 47 -7.917 -6.826 -5.691 1.00 5.06 O ATOM 705 CB ARG A 47 -8.677 -9.133 -3.404 1.00 6.43 C ATOM 706 CG ARG A 47 -9.262 -8.644 -2.075 1.00 7.27 C ATOM 707 CD ARG A 47 -9.586 -9.847 -1.185 1.00 7.96 C ATOM 708 NE ARG A 47 -9.926 -9.376 0.189 1.00 8.82 N ATOM 709 CZ ARG A 47 -9.767 -10.173 1.213 1.00 9.62 C ATOM 710 NH1 ARG A 47 -10.699 -11.038 1.518 1.00 10.10 N ATOM 711 NH2 ARG A 47 -8.676 -10.104 1.932 1.00 10.15 N ATOM 0 H ARG A 47 -8.225 -9.532 -5.995 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.405 -8.255 -4.368 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.827 -10.208 -3.503 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.601 -8.958 -3.423 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.552 -7.988 -1.573 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -10.164 -8.059 -2.256 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -10.421 -10.408 -1.605 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -8.733 -10.525 -1.147 1.00 7.96 H new ATOM 0 HE ARG A 47 -10.283 -8.431 0.330 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -11.549 -11.091 0.957 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -10.576 -11.660 2.317 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -7.950 -9.429 1.693 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -8.552 -10.726 2.731 1.00 10.15 H new ATOM 725 N GLU A 48 -8.976 -6.099 -3.899 1.00 5.24 N ATOM 726 CA GLU A 48 -8.367 -4.740 -4.001 1.00 4.73 C ATOM 727 C GLU A 48 -7.953 -4.295 -2.597 1.00 4.69 C ATOM 728 O GLU A 48 -8.768 -4.222 -1.694 1.00 5.44 O ATOM 729 CB GLU A 48 -9.385 -3.754 -4.586 1.00 5.60 C ATOM 730 CG GLU A 48 -8.643 -2.634 -5.324 1.00 5.76 C ATOM 731 CD GLU A 48 -9.414 -1.319 -5.178 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.205 -0.638 -4.187 1.00 7.44 O ATOM 733 OE2 GLU A 48 -10.199 -1.015 -6.063 1.00 7.12 O ATOM 0 H GLU A 48 -9.616 -6.223 -3.115 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.497 -4.766 -4.657 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.058 -4.272 -5.270 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.000 -3.335 -3.790 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -7.637 -2.523 -4.919 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -8.536 -2.889 -6.378 1.00 5.76 H new ATOM 740 N LEU A 49 -6.691 -4.012 -2.403 1.00 4.08 N ATOM 741 CA LEU A 49 -6.217 -3.589 -1.050 1.00 4.35 C ATOM 742 C LEU A 49 -5.228 -2.437 -1.191 1.00 3.99 C ATOM 743 O LEU A 49 -4.203 -2.574 -1.823 1.00 3.87 O ATOM 744 CB LEU A 49 -5.495 -4.754 -0.372 1.00 4.67 C ATOM 745 CG LEU A 49 -6.250 -5.199 0.883 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.312 -6.236 0.511 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.256 -5.826 1.866 1.00 4.69 C ATOM 0 H LEU A 49 -5.968 -4.055 -3.122 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.077 -3.279 -0.457 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.409 -5.590 -1.067 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.481 -4.455 -0.106 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.735 -4.336 1.340 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.846 -6.548 1.409 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -8.017 -5.798 -0.196 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.831 -7.101 0.055 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.785 -6.146 2.764 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.778 -6.687 1.400 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.497 -5.091 2.135 1.00 4.69 H new ATOM 759 N CYS A 50 -5.501 -1.323 -0.574 1.00 3.99 N ATOM 760 CA CYS A 50 -4.550 -0.187 -0.648 1.00 3.63 C ATOM 761 C CYS A 50 -3.469 -0.420 0.397 1.00 3.49 C ATOM 762 O CYS A 50 -3.739 -0.909 1.476 1.00 4.14 O ATOM 763 CB CYS A 50 -5.256 1.124 -0.373 1.00 3.72 C ATOM 764 SG CYS A 50 -6.818 1.190 -1.293 1.00 4.64 S ATOM 0 H CYS A 50 -6.342 -1.152 -0.022 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.118 -0.129 -1.647 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.449 1.226 0.695 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.618 1.959 -0.663 1.00 3.72 H new ATOM 769 N LEU A 51 -2.251 -0.110 0.074 1.00 2.91 N ATOM 770 CA LEU A 51 -1.141 -0.354 1.025 1.00 2.96 C ATOM 771 C LEU A 51 -0.707 0.935 1.710 1.00 3.35 C ATOM 772 O LEU A 51 -0.876 2.029 1.196 1.00 3.56 O ATOM 773 CB LEU A 51 0.045 -0.951 0.279 1.00 2.71 C ATOM 774 CG LEU A 51 -0.377 -2.210 -0.502 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.842 -3.103 -0.698 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.438 -3.002 0.274 1.00 2.61 C ATOM 0 H LEU A 51 -1.975 0.305 -0.816 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.493 -1.047 1.789 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.457 -0.212 -0.408 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.835 -1.204 0.986 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.792 -1.901 -1.461 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.553 -3.997 -1.250 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.604 -2.561 -1.258 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.242 -3.391 0.274 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.721 -3.887 -0.296 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.031 -3.307 1.238 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.316 -2.376 0.432 1.00 2.61 H new ATOM 788 N ASP A 52 -0.136 0.785 2.872 1.00 3.84 N ATOM 789 CA ASP A 52 0.343 1.952 3.658 1.00 4.35 C ATOM 790 C ASP A 52 1.865 2.077 3.480 1.00 4.47 C ATOM 791 O ASP A 52 2.607 1.205 3.898 1.00 4.73 O ATOM 792 CB ASP A 52 0.004 1.716 5.136 1.00 4.93 C ATOM 793 CG ASP A 52 0.234 2.994 5.953 1.00 5.39 C ATOM 794 OD1 ASP A 52 -0.081 4.066 5.460 1.00 5.96 O ATOM 795 OD2 ASP A 52 0.713 2.874 7.066 1.00 5.40 O ATOM 0 H ASP A 52 0.021 -0.119 3.318 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.135 2.870 3.317 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.035 1.399 5.230 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.620 0.909 5.532 1.00 4.93 H new ATOM 800 N PRO A 53 2.290 3.161 2.864 1.00 4.54 N ATOM 801 CA PRO A 53 3.724 3.415 2.609 1.00 4.96 C ATOM 802 C PRO A 53 4.485 3.720 3.908 1.00 5.21 C ATOM 803 O PRO A 53 5.700 3.812 3.906 1.00 5.67 O ATOM 804 CB PRO A 53 3.718 4.612 1.651 1.00 5.26 C ATOM 805 CG PRO A 53 2.353 5.310 1.836 1.00 5.04 C ATOM 806 CD PRO A 53 1.394 4.241 2.392 1.00 4.55 C ATOM 0 HA PRO A 53 4.236 2.550 2.188 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.537 5.295 1.877 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.851 4.285 0.620 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.437 6.152 2.523 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.987 5.706 0.889 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.784 4.636 3.204 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.708 3.883 1.624 1.00 4.55 H new ATOM 814 N LYS A 54 3.792 3.857 5.020 1.00 5.18 N ATOM 815 CA LYS A 54 4.483 4.128 6.308 1.00 5.61 C ATOM 816 C LYS A 54 5.377 2.932 6.676 1.00 5.02 C ATOM 817 O LYS A 54 6.377 3.092 7.352 1.00 5.42 O ATOM 818 CB LYS A 54 3.446 4.365 7.413 1.00 6.23 C ATOM 819 CG LYS A 54 3.663 5.745 8.042 1.00 7.12 C ATOM 820 CD LYS A 54 3.075 6.826 7.130 1.00 7.85 C ATOM 821 CE LYS A 54 3.470 8.211 7.655 1.00 8.63 C ATOM 822 NZ LYS A 54 4.785 8.611 7.077 1.00 9.56 N ATOM 0 H LYS A 54 2.776 3.791 5.081 1.00 5.18 H new ATOM 0 HA LYS A 54 5.102 5.019 6.205 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.439 4.298 7.000 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.530 3.591 8.175 1.00 6.23 H new ATOM 0 HG2 LYS A 54 3.190 5.787 9.023 1.00 7.12 H new ATOM 0 HG3 LYS A 54 4.728 5.923 8.194 1.00 7.12 H new ATOM 0 HD2 LYS A 54 3.439 6.694 6.111 1.00 7.85 H new ATOM 0 HD3 LYS A 54 1.989 6.735 7.094 1.00 7.85 H new ATOM 0 HE2 LYS A 54 2.707 8.943 7.389 1.00 8.63 H new ATOM 0 HE3 LYS A 54 3.530 8.195 8.743 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 5.050 9.551 7.435 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 5.510 7.918 7.352 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 4.713 8.643 6.040 1.00 9.56 H new ATOM 836 N GLU A 55 5.038 1.737 6.228 1.00 4.37 N ATOM 837 CA GLU A 55 5.878 0.552 6.544 1.00 4.14 C ATOM 838 C GLU A 55 7.037 0.478 5.553 1.00 3.84 C ATOM 839 O GLU A 55 7.078 1.193 4.568 1.00 3.83 O ATOM 840 CB GLU A 55 5.044 -0.722 6.405 1.00 4.19 C ATOM 841 CG GLU A 55 4.109 -0.868 7.605 1.00 4.76 C ATOM 842 CD GLU A 55 2.854 -0.020 7.397 1.00 5.39 C ATOM 843 OE1 GLU A 55 2.007 -0.433 6.624 1.00 5.43 O ATOM 844 OE2 GLU A 55 2.761 1.026 8.016 1.00 6.13 O ATOM 0 H GLU A 55 4.214 1.543 5.658 1.00 4.37 H new ATOM 0 HA GLU A 55 6.254 0.642 7.563 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.463 -0.688 5.483 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.700 -1.590 6.337 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.833 -1.914 7.736 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.621 -0.557 8.515 1.00 4.76 H new ATOM 851 N ASN A 56 7.962 -0.404 5.800 1.00 3.90 N ATOM 852 CA ASN A 56 9.118 -0.567 4.875 1.00 3.93 C ATOM 853 C ASN A 56 8.830 -1.699 3.886 1.00 3.74 C ATOM 854 O ASN A 56 9.476 -1.808 2.863 1.00 3.89 O ATOM 855 CB ASN A 56 10.370 -0.896 5.674 1.00 4.29 C ATOM 856 CG ASN A 56 11.385 0.242 5.536 1.00 4.70 C ATOM 857 OD1 ASN A 56 12.382 0.101 4.856 1.00 4.90 O ATOM 858 ND2 ASN A 56 11.173 1.373 6.154 1.00 5.15 N ATOM 0 H ASN A 56 7.968 -1.025 6.609 1.00 3.90 H new ATOM 0 HA ASN A 56 9.273 0.362 4.326 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.115 -1.043 6.723 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.805 -1.830 5.318 1.00 4.29 H new ATOM 0 HD21 ASN A 56 11.844 2.136 6.065 1.00 5.15 H new ATOM 0 HD22 ASN A 56 10.337 1.493 6.725 1.00 5.15 H new ATOM 865 N TRP A 57 7.863 -2.541 4.179 1.00 3.55 N ATOM 866 CA TRP A 57 7.536 -3.653 3.258 1.00 3.47 C ATOM 867 C TRP A 57 6.641 -3.138 2.135 1.00 3.28 C ATOM 868 O TRP A 57 6.774 -3.541 1.005 1.00 3.48 O ATOM 869 CB TRP A 57 6.855 -4.787 4.034 1.00 3.64 C ATOM 870 CG TRP A 57 5.443 -4.461 4.396 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.056 -4.030 5.602 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.232 -4.552 3.586 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.688 -3.874 5.605 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.134 -4.168 4.384 1.00 3.80 C ATOM 875 CE3 TRP A 57 3.981 -4.927 2.256 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.831 -4.153 3.887 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.673 -4.911 1.750 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.599 -4.525 2.563 1.00 3.38 C ATOM 0 H TRP A 57 7.291 -2.496 5.022 1.00 3.55 H new ATOM 0 HA TRP A 57 8.451 -4.047 2.815 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.873 -5.696 3.433 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.422 -4.994 4.942 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.711 -3.836 6.438 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.150 -3.575 6.418 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.799 -5.229 1.620 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.009 -3.856 4.522 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.492 -5.199 0.725 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.595 -4.516 2.166 1.00 3.38 H new ATOM 889 N VAL A 58 5.742 -2.240 2.441 1.00 3.02 N ATOM 890 CA VAL A 58 4.850 -1.682 1.383 1.00 2.84 C ATOM 891 C VAL A 58 5.699 -0.882 0.388 1.00 2.99 C ATOM 892 O VAL A 58 5.515 -0.976 -0.812 1.00 3.21 O ATOM 893 CB VAL A 58 3.810 -0.763 2.040 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.318 0.294 1.049 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.624 -1.589 2.522 1.00 2.85 C ATOM 0 H VAL A 58 5.587 -1.869 3.378 1.00 3.02 H new ATOM 0 HA VAL A 58 4.338 -2.487 0.856 1.00 2.84 H new ATOM 0 HB VAL A 58 4.281 -0.262 2.886 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.582 0.934 1.535 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.161 0.899 0.714 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.861 -0.197 0.190 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.889 -0.933 2.987 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.168 -2.101 1.674 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.965 -2.325 3.250 1.00 2.85 H new ATOM 905 N GLN A 59 6.628 -0.100 0.882 1.00 3.12 N ATOM 906 CA GLN A 59 7.493 0.707 -0.021 1.00 3.61 C ATOM 907 C GLN A 59 8.523 -0.200 -0.715 1.00 3.90 C ATOM 908 O GLN A 59 8.898 0.039 -1.847 1.00 4.47 O ATOM 909 CB GLN A 59 8.193 1.795 0.790 1.00 3.82 C ATOM 910 CG GLN A 59 9.103 1.143 1.818 1.00 4.33 C ATOM 911 CD GLN A 59 9.750 2.211 2.707 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.064 3.013 3.311 1.00 4.84 O ATOM 913 NE2 GLN A 59 11.049 2.251 2.819 1.00 5.29 N ATOM 0 H GLN A 59 6.822 0.011 1.877 1.00 3.12 H new ATOM 0 HA GLN A 59 6.880 1.177 -0.790 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.773 2.441 0.131 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.456 2.426 1.287 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.531 0.447 2.431 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.876 0.562 1.314 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.625 1.579 2.313 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.488 2.954 3.413 1.00 5.29 H new ATOM 922 N ARG A 60 8.958 -1.251 -0.056 1.00 3.65 N ATOM 923 CA ARG A 60 9.938 -2.183 -0.686 1.00 3.97 C ATOM 924 C ARG A 60 9.181 -3.080 -1.666 1.00 3.96 C ATOM 925 O ARG A 60 9.657 -3.374 -2.744 1.00 4.42 O ATOM 926 CB ARG A 60 10.608 -3.044 0.391 1.00 4.07 C ATOM 927 CG ARG A 60 11.789 -2.281 1.005 1.00 4.60 C ATOM 928 CD ARG A 60 13.056 -2.549 0.187 1.00 4.81 C ATOM 929 NE ARG A 60 14.261 -2.270 1.023 1.00 5.26 N ATOM 930 CZ ARG A 60 14.817 -3.232 1.714 1.00 5.84 C ATOM 931 NH1 ARG A 60 15.651 -4.057 1.132 1.00 6.35 N ATOM 932 NH2 ARG A 60 14.540 -3.369 2.986 1.00 6.25 N ATOM 0 H ARG A 60 8.674 -1.500 0.891 1.00 3.65 H new ATOM 0 HA ARG A 60 10.710 -1.618 -1.208 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.886 -3.300 1.166 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.955 -3.981 -0.044 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.575 -1.212 1.023 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.939 -2.593 2.039 1.00 4.60 H new ATOM 0 HD2 ARG A 60 13.069 -3.584 -0.153 1.00 4.81 H new ATOM 0 HD3 ARG A 60 13.066 -1.921 -0.704 1.00 4.81 H new ATOM 0 HE ARG A 60 14.651 -1.328 1.056 1.00 5.26 H new ATOM 0 HH11 ARG A 60 15.867 -3.949 0.141 1.00 6.35 H new ATOM 0 HH12 ARG A 60 16.085 -4.807 1.670 1.00 6.35 H new ATOM 0 HH21 ARG A 60 13.891 -2.726 3.439 1.00 6.25 H new ATOM 0 HH22 ARG A 60 14.974 -4.119 3.524 1.00 6.25 H new ATOM 946 N VAL A 61 7.991 -3.500 -1.297 1.00 3.58 N ATOM 947 CA VAL A 61 7.171 -4.361 -2.198 1.00 3.55 C ATOM 948 C VAL A 61 6.859 -3.588 -3.487 1.00 3.25 C ATOM 949 O VAL A 61 6.922 -4.134 -4.572 1.00 3.52 O ATOM 950 CB VAL A 61 5.873 -4.746 -1.470 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.783 -5.124 -2.473 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.149 -5.935 -0.548 1.00 4.31 C ATOM 0 H VAL A 61 7.554 -3.279 -0.402 1.00 3.58 H new ATOM 0 HA VAL A 61 7.715 -5.269 -2.458 1.00 3.55 H new ATOM 0 HB VAL A 61 5.529 -3.891 -0.888 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.873 -5.393 -1.937 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.581 -4.276 -3.128 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.117 -5.973 -3.070 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.232 -6.213 -0.028 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.501 -6.780 -1.140 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.910 -5.660 0.182 1.00 4.31 H new ATOM 962 N VAL A 62 6.543 -2.319 -3.373 1.00 2.99 N ATOM 963 CA VAL A 62 6.247 -1.503 -4.593 1.00 3.22 C ATOM 964 C VAL A 62 7.525 -1.397 -5.441 1.00 3.80 C ATOM 965 O VAL A 62 7.479 -1.507 -6.652 1.00 4.15 O ATOM 966 CB VAL A 62 5.777 -0.098 -4.177 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.745 0.825 -5.401 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.371 -0.184 -3.575 1.00 3.34 C ATOM 0 H VAL A 62 6.478 -1.814 -2.489 1.00 2.99 H new ATOM 0 HA VAL A 62 5.458 -1.980 -5.175 1.00 3.22 H new ATOM 0 HB VAL A 62 6.470 0.304 -3.438 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.411 1.818 -5.099 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.744 0.893 -5.832 1.00 4.40 H new ATOM 0 HG13 VAL A 62 5.057 0.421 -6.143 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.040 0.812 -3.281 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.683 -0.592 -4.315 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.389 -0.834 -2.700 1.00 3.34 H new ATOM 978 N GLU A 63 8.660 -1.187 -4.811 1.00 4.04 N ATOM 979 CA GLU A 63 9.940 -1.079 -5.564 1.00 4.68 C ATOM 980 C GLU A 63 10.261 -2.416 -6.241 1.00 4.70 C ATOM 981 O GLU A 63 10.585 -2.458 -7.412 1.00 5.23 O ATOM 982 CB GLU A 63 11.074 -0.706 -4.602 1.00 5.11 C ATOM 983 CG GLU A 63 11.191 0.818 -4.506 1.00 5.73 C ATOM 984 CD GLU A 63 11.959 1.194 -3.234 1.00 6.00 C ATOM 985 OE1 GLU A 63 13.177 1.143 -3.265 1.00 6.04 O ATOM 986 OE2 GLU A 63 11.314 1.527 -2.254 1.00 6.46 O ATOM 0 H GLU A 63 8.748 -1.086 -3.800 1.00 4.04 H new ATOM 0 HA GLU A 63 9.841 -0.306 -6.326 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.881 -1.128 -3.616 1.00 5.11 H new ATOM 0 HB3 GLU A 63 12.015 -1.131 -4.952 1.00 5.11 H new ATOM 0 HG2 GLU A 63 11.706 1.210 -5.383 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.199 1.269 -4.491 1.00 5.73 H new ATOM 993 N LYS A 64 10.172 -3.509 -5.516 1.00 4.35 N ATOM 994 CA LYS A 64 10.467 -4.841 -6.115 1.00 4.71 C ATOM 995 C LYS A 64 9.442 -5.157 -7.217 1.00 4.54 C ATOM 996 O LYS A 64 9.758 -5.806 -8.197 1.00 5.00 O ATOM 997 CB LYS A 64 10.399 -5.918 -5.029 1.00 4.74 C ATOM 998 CG LYS A 64 11.409 -7.025 -5.341 1.00 5.62 C ATOM 999 CD LYS A 64 11.684 -7.837 -4.073 1.00 6.24 C ATOM 1000 CE LYS A 64 13.077 -8.464 -4.154 1.00 7.07 C ATOM 1001 NZ LYS A 64 13.416 -9.092 -2.845 1.00 7.79 N ATOM 0 H LYS A 64 9.906 -3.530 -4.531 1.00 4.35 H new ATOM 0 HA LYS A 64 11.467 -4.825 -6.549 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.614 -5.480 -4.054 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.393 -6.334 -4.977 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.021 -7.675 -6.125 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.336 -6.591 -5.716 1.00 5.62 H new ATOM 0 HD2 LYS A 64 11.615 -7.194 -3.196 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.930 -8.616 -3.958 1.00 6.24 H new ATOM 0 HE2 LYS A 64 13.105 -9.212 -4.946 1.00 7.07 H new ATOM 0 HE3 LYS A 64 13.816 -7.703 -4.407 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 14.363 -9.518 -2.899 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 13.405 -8.367 -2.099 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 12.717 -9.829 -2.622 1.00 7.79 H new ATOM 1015 N PHE A 65 8.220 -4.700 -7.062 1.00 4.02 N ATOM 1016 CA PHE A 65 7.171 -4.962 -8.089 1.00 3.99 C ATOM 1017 C PHE A 65 7.446 -4.111 -9.335 1.00 4.72 C ATOM 1018 O PHE A 65 7.373 -4.591 -10.451 1.00 5.31 O ATOM 1019 CB PHE A 65 5.806 -4.582 -7.508 1.00 3.16 C ATOM 1020 CG PHE A 65 4.711 -5.328 -8.234 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.545 -6.705 -8.039 1.00 2.97 C ATOM 1022 CD2 PHE A 65 3.859 -4.637 -9.100 1.00 3.45 C ATOM 1023 CE1 PHE A 65 3.526 -7.388 -8.713 1.00 3.10 C ATOM 1024 CE2 PHE A 65 2.840 -5.319 -9.775 1.00 3.48 C ATOM 1025 CZ PHE A 65 2.674 -6.695 -9.581 1.00 3.19 C ATOM 0 H PHE A 65 7.907 -4.153 -6.260 1.00 4.02 H new ATOM 0 HA PHE A 65 7.180 -6.017 -8.365 1.00 3.99 H new ATOM 0 HB2 PHE A 65 5.775 -4.819 -6.444 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.648 -3.507 -7.600 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.203 -7.239 -7.369 1.00 2.97 H new ATOM 0 HD2 PHE A 65 3.987 -3.575 -9.249 1.00 3.45 H new ATOM 0 HE1 PHE A 65 3.397 -8.450 -8.563 1.00 3.10 H new ATOM 0 HE2 PHE A 65 2.183 -4.784 -10.445 1.00 3.48 H new ATOM 0 HZ PHE A 65 1.888 -7.222 -10.101 1.00 3.19 H new ATOM 1035 N LEU A 66 7.760 -2.849 -9.147 1.00 4.92 N ATOM 1036 CA LEU A 66 8.040 -1.955 -10.313 1.00 5.86 C ATOM 1037 C LEU A 66 9.381 -2.339 -10.951 1.00 6.61 C ATOM 1038 O LEU A 66 9.469 -2.530 -12.149 1.00 7.33 O ATOM 1039 CB LEU A 66 8.089 -0.492 -9.840 1.00 6.18 C ATOM 1040 CG LEU A 66 7.377 0.421 -10.849 1.00 7.14 C ATOM 1041 CD1 LEU A 66 8.084 0.350 -12.206 1.00 7.61 C ATOM 1042 CD2 LEU A 66 5.917 -0.021 -11.009 1.00 7.67 C ATOM 0 H LEU A 66 7.834 -2.401 -8.234 1.00 4.92 H new ATOM 0 HA LEU A 66 7.248 -2.069 -11.053 1.00 5.86 H new ATOM 0 HB2 LEU A 66 7.615 -0.403 -8.862 1.00 6.18 H new ATOM 0 HB3 LEU A 66 9.125 -0.176 -9.722 1.00 6.18 H new ATOM 0 HG LEU A 66 7.406 1.447 -10.481 1.00 7.14 H new ATOM 0 HD11 LEU A 66 7.574 1.000 -12.917 1.00 7.61 H new ATOM 0 HD12 LEU A 66 9.118 0.675 -12.095 1.00 7.61 H new ATOM 0 HD13 LEU A 66 8.064 -0.676 -12.574 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.416 0.630 -11.726 1.00 7.67 H new ATOM 0 HD22 LEU A 66 5.886 -1.049 -11.369 1.00 7.67 H new ATOM 0 HD23 LEU A 66 5.410 0.042 -10.046 1.00 7.67 H new ATOM 1054 N LYS A 67 10.423 -2.455 -10.162 1.00 6.57 N ATOM 1055 CA LYS A 67 11.757 -2.831 -10.724 1.00 7.47 C ATOM 1056 C LYS A 67 11.787 -4.340 -10.994 1.00 7.85 C ATOM 1057 O LYS A 67 11.873 -5.142 -10.081 1.00 8.14 O ATOM 1058 CB LYS A 67 12.863 -2.461 -9.727 1.00 7.84 C ATOM 1059 CG LYS A 67 13.071 -0.942 -9.724 1.00 8.78 C ATOM 1060 CD LYS A 67 13.916 -0.533 -10.935 1.00 9.42 C ATOM 1061 CE LYS A 67 15.357 -0.257 -10.491 1.00 10.12 C ATOM 1062 NZ LYS A 67 16.213 -1.440 -10.799 1.00 10.40 N ATOM 0 H LYS A 67 10.406 -2.305 -9.153 1.00 6.57 H new ATOM 0 HA LYS A 67 11.923 -2.291 -11.656 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.594 -2.803 -8.728 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.792 -2.964 -9.996 1.00 7.84 H new ATOM 0 HG2 LYS A 67 12.107 -0.433 -9.753 1.00 8.78 H new ATOM 0 HG3 LYS A 67 13.566 -0.635 -8.803 1.00 8.78 H new ATOM 0 HD2 LYS A 67 13.902 -1.324 -11.684 1.00 9.42 H new ATOM 0 HD3 LYS A 67 13.493 0.356 -11.402 1.00 9.42 H new ATOM 0 HE2 LYS A 67 15.742 0.626 -11.001 1.00 10.12 H new ATOM 0 HE3 LYS A 67 15.384 -0.045 -9.422 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 17.190 -1.250 -10.497 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 15.850 -2.273 -10.293 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 16.197 -1.623 -11.823 1.00 10.40 H new ATOM 1076 N ARG A 68 11.706 -4.730 -12.245 1.00 8.12 N ATOM 1077 CA ARG A 68 11.718 -6.186 -12.591 1.00 8.78 C ATOM 1078 C ARG A 68 13.056 -6.559 -13.246 1.00 8.99 C ATOM 1079 O ARG A 68 13.860 -5.705 -13.572 1.00 8.81 O ATOM 1080 CB ARG A 68 10.579 -6.488 -13.570 1.00 9.33 C ATOM 1081 CG ARG A 68 9.229 -6.222 -12.896 1.00 9.61 C ATOM 1082 CD ARG A 68 8.104 -6.732 -13.798 1.00 10.05 C ATOM 1083 NE ARG A 68 6.810 -6.702 -13.055 1.00 10.53 N ATOM 1084 CZ ARG A 68 5.686 -6.886 -13.697 1.00 10.90 C ATOM 1085 NH1 ARG A 68 5.318 -8.094 -14.042 1.00 11.35 N ATOM 1086 NH2 ARG A 68 4.931 -5.859 -13.996 1.00 11.02 N ATOM 0 H ARG A 68 11.632 -4.099 -13.043 1.00 8.12 H new ATOM 0 HA ARG A 68 11.587 -6.768 -11.679 1.00 8.78 H new ATOM 0 HB2 ARG A 68 10.679 -5.868 -14.461 1.00 9.33 H new ATOM 0 HB3 ARG A 68 10.634 -7.526 -13.897 1.00 9.33 H new ATOM 0 HG2 ARG A 68 9.189 -6.721 -11.928 1.00 9.61 H new ATOM 0 HG3 ARG A 68 9.106 -5.155 -12.710 1.00 9.61 H new ATOM 0 HD2 ARG A 68 8.035 -6.114 -14.693 1.00 10.05 H new ATOM 0 HD3 ARG A 68 8.322 -7.748 -14.128 1.00 10.05 H new ATOM 0 HE ARG A 68 6.803 -6.538 -12.048 1.00 10.53 H new ATOM 0 HH11 ARG A 68 5.908 -8.893 -13.810 1.00 11.35 H new ATOM 0 HH12 ARG A 68 4.441 -8.236 -14.543 1.00 11.35 H new ATOM 0 HH21 ARG A 68 5.220 -4.918 -13.728 1.00 11.02 H new ATOM 0 HH22 ARG A 68 4.054 -6.000 -14.497 1.00 11.02 H new ATOM 1100 N ALA A 69 13.289 -7.835 -13.446 1.00 9.61 N ATOM 1101 CA ALA A 69 14.563 -8.286 -14.085 1.00 10.14 C ATOM 1102 C ALA A 69 14.240 -9.082 -15.360 1.00 10.89 C ATOM 1103 O ALA A 69 14.800 -10.136 -15.608 1.00 11.20 O ATOM 1104 CB ALA A 69 15.337 -9.168 -13.101 1.00 10.08 C ATOM 0 H ALA A 69 12.647 -8.586 -13.192 1.00 9.61 H new ATOM 0 HA ALA A 69 15.171 -7.421 -14.348 1.00 10.14 H new ATOM 0 HB1 ALA A 69 16.267 -9.499 -13.563 1.00 10.08 H new ATOM 0 HB2 ALA A 69 15.563 -8.597 -12.200 1.00 10.08 H new ATOM 0 HB3 ALA A 69 14.733 -10.037 -12.838 1.00 10.08 H new ATOM 1110 N GLU A 70 13.336 -8.583 -16.171 1.00 11.37 N ATOM 1111 CA GLU A 70 12.966 -9.300 -17.431 1.00 12.24 C ATOM 1112 C GLU A 70 12.355 -8.309 -18.431 1.00 12.45 C ATOM 1113 O GLU A 70 11.904 -7.239 -18.062 1.00 12.32 O ATOM 1114 CB GLU A 70 11.950 -10.408 -17.116 1.00 12.79 C ATOM 1115 CG GLU A 70 10.661 -9.796 -16.551 1.00 12.48 C ATOM 1116 CD GLU A 70 9.864 -10.869 -15.804 1.00 13.18 C ATOM 1117 OE1 GLU A 70 10.192 -11.132 -14.658 1.00 13.63 O ATOM 1118 OE2 GLU A 70 8.939 -11.408 -16.389 1.00 13.39 O ATOM 0 H GLU A 70 12.838 -7.707 -16.013 1.00 11.37 H new ATOM 0 HA GLU A 70 13.861 -9.745 -17.867 1.00 12.24 H new ATOM 0 HB2 GLU A 70 11.727 -10.975 -18.020 1.00 12.79 H new ATOM 0 HB3 GLU A 70 12.375 -11.108 -16.397 1.00 12.79 H new ATOM 0 HG2 GLU A 70 10.902 -8.974 -15.877 1.00 12.48 H new ATOM 0 HG3 GLU A 70 10.060 -9.380 -17.359 1.00 12.48 H new ATOM 1125 N ASN A 71 12.339 -8.660 -19.694 1.00 12.96 N ATOM 1126 CA ASN A 71 11.760 -7.748 -20.727 1.00 13.39 C ATOM 1127 C ASN A 71 10.733 -8.519 -21.568 1.00 13.77 C ATOM 1128 O ASN A 71 11.090 -9.275 -22.455 1.00 13.98 O ATOM 1129 CB ASN A 71 12.881 -7.226 -21.632 1.00 13.14 C ATOM 1130 CG ASN A 71 13.766 -6.253 -20.846 1.00 12.70 C ATOM 1131 OD1 ASN A 71 13.431 -5.095 -20.696 1.00 12.77 O ATOM 1132 ND2 ASN A 71 14.889 -6.679 -20.332 1.00 12.41 N ATOM 0 H ASN A 71 12.703 -9.542 -20.054 1.00 12.96 H new ATOM 0 HA ASN A 71 11.269 -6.906 -20.239 1.00 13.39 H new ATOM 0 HB2 ASN A 71 13.479 -8.058 -22.004 1.00 13.14 H new ATOM 0 HB3 ASN A 71 12.456 -6.725 -22.502 1.00 13.14 H new ATOM 0 HD21 ASN A 71 15.484 -6.039 -19.805 1.00 12.41 H new ATOM 0 HD22 ASN A 71 15.171 -7.651 -20.458 1.00 12.41 H new ATOM 1139 N SER A 72 9.461 -8.336 -21.296 1.00 14.02 N ATOM 1140 CA SER A 72 8.410 -9.058 -22.079 1.00 14.59 C ATOM 1141 C SER A 72 8.185 -8.345 -23.419 1.00 15.09 C ATOM 1142 O SER A 72 7.890 -7.159 -23.402 1.00 15.38 O ATOM 1143 CB SER A 72 7.101 -9.084 -21.283 1.00 14.66 C ATOM 1144 OG SER A 72 7.261 -9.918 -20.143 1.00 14.60 O ATOM 1145 OXT SER A 72 8.315 -8.998 -24.442 1.00 15.30 O ATOM 0 H SER A 72 9.107 -7.718 -20.566 1.00 14.02 H new ATOM 0 HA SER A 72 8.738 -10.081 -22.265 1.00 14.59 H new ATOM 0 HB2 SER A 72 6.830 -8.075 -20.974 1.00 14.66 H new ATOM 0 HB3 SER A 72 6.289 -9.455 -21.908 1.00 14.66 H new ATOM 0 HG SER A 72 6.426 -9.935 -19.631 1.00 14.60 H new TER 1151 SER A 72