USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 809 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 69 CYS SG : rot -111:sc= 0.164 USER MOD Set 1.2: A 78 GLN : amide:sc= -1.17 X(o=-1,f=-1.1) USER MOD Set 2.1: A 1 MET N :NH3+ -169:sc= -0.123! (180deg=-0.543) USER MOD Set 2.2: A 46 SER OG : rot -60:sc= 0.0562 USER MOD Set 3.1: A 32 CYS SG : rot -179:sc= 0.286! USER MOD Set 3.2: A 35 CYS SG : rot 70:sc= -0.653! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0737 K(o=-0.074,f=-0.9) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=0.000825 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.147 (180deg=-0.851) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.171 (180deg=-0.776) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.624 K(o=0.62,f=-4.4!) USER MOD Single : A 44 SER OG : rot 128:sc= 1.11 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -138:sc= 0.553 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.38) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.17) USER MOD Single : A 67 SER OG : rot 88:sc= 0.745 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc=-0.00398 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.788 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 0.393 (180deg=0.0504) USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= -0.0875 (180deg=-0.48) USER MOD Single : A 84 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0.775 (180deg=0.706) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -5.09! K(o=-5.1!,f=-0.13) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 58:sc= -0.471 USER MOD Single : A 102 ASN : amide:sc= -2.42! C(o=-2.4!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.695 0.233 11.498 1.00 3.13 N ATOM 2 CA MET A 1 -5.804 -1.035 10.722 1.00 1.06 C ATOM 3 C MET A 1 -4.577 -1.185 9.818 1.00 0.87 C ATOM 4 O MET A 1 -4.165 -2.286 9.506 1.00 0.95 O ATOM 5 CB MET A 1 -7.069 -1.035 9.864 1.00 1.35 C ATOM 6 CG MET A 1 -8.289 -1.231 10.768 1.00 1.85 C ATOM 7 SD MET A 1 -8.479 -2.841 11.576 1.00 1.79 S ATOM 8 CE MET A 1 -9.467 -2.274 12.984 1.00 2.39 C ATOM 0 H1 MET A 1 -6.422 0.249 12.241 1.00 3.13 H new ATOM 0 H2 MET A 1 -4.753 0.293 11.934 1.00 3.13 H new ATOM 0 H3 MET A 1 -5.834 1.043 10.861 1.00 3.13 H new ATOM 0 HA MET A 1 -5.856 -1.869 11.421 1.00 1.06 H new ATOM 0 HB2 MET A 1 -7.153 -0.095 9.318 1.00 1.35 H new ATOM 0 HB3 MET A 1 -7.020 -1.832 9.122 1.00 1.35 H new ATOM 0 HG2 MET A 1 -8.259 -0.466 11.544 1.00 1.85 H new ATOM 0 HG3 MET A 1 -9.183 -1.046 10.172 1.00 1.85 H new ATOM 0 HE1 MET A 1 -9.703 -3.121 13.628 1.00 2.39 H new ATOM 0 HE2 MET A 1 -8.902 -1.534 13.551 1.00 2.39 H new ATOM 0 HE3 MET A 1 -10.392 -1.825 12.622 1.00 2.39 H new ATOM 20 N VAL A 2 -4.016 -0.075 9.414 1.00 0.65 N ATOM 21 CA VAL A 2 -2.814 -0.146 8.537 1.00 0.46 C ATOM 22 C VAL A 2 -1.822 -1.160 9.118 1.00 0.44 C ATOM 23 O VAL A 2 -1.766 -1.348 10.318 1.00 0.46 O ATOM 24 CB VAL A 2 -2.164 1.233 8.475 1.00 0.43 C ATOM 25 CG1 VAL A 2 -1.113 1.244 7.363 1.00 0.19 C ATOM 26 CG2 VAL A 2 -3.235 2.279 8.163 1.00 0.54 C ATOM 0 H VAL A 2 -4.334 0.865 9.650 1.00 0.65 H new ATOM 0 HA VAL A 2 -3.102 -0.460 7.534 1.00 0.46 H new ATOM 0 HB VAL A 2 -1.692 1.461 9.431 1.00 0.43 H new ATOM 0 HG11 VAL A 2 -0.645 2.227 7.314 1.00 0.19 H new ATOM 0 HG12 VAL A 2 -0.353 0.491 7.573 1.00 0.19 H new ATOM 0 HG13 VAL A 2 -1.591 1.022 6.409 1.00 0.19 H new ATOM 0 HG21 VAL A 2 -2.776 3.267 8.117 1.00 0.54 H new ATOM 0 HG22 VAL A 2 -3.699 2.050 7.204 1.00 0.54 H new ATOM 0 HG23 VAL A 2 -3.994 2.267 8.945 1.00 0.54 H new ATOM 36 N LYS A 3 -1.063 -1.791 8.260 1.00 0.41 N ATOM 37 CA LYS A 3 -0.078 -2.805 8.755 1.00 0.40 C ATOM 38 C LYS A 3 1.261 -2.658 8.027 1.00 0.27 C ATOM 39 O LYS A 3 1.302 -2.380 6.844 1.00 0.16 O ATOM 40 CB LYS A 3 -0.638 -4.204 8.506 1.00 0.43 C ATOM 41 CG LYS A 3 0.008 -5.185 9.486 1.00 0.54 C ATOM 42 CD LYS A 3 -0.208 -6.613 8.980 1.00 0.48 C ATOM 43 CE LYS A 3 0.946 -6.997 8.052 1.00 1.95 C ATOM 44 NZ LYS A 3 0.509 -8.037 7.079 1.00 2.89 N ATOM 0 H LYS A 3 -1.080 -1.652 7.250 1.00 0.41 H new ATOM 0 HA LYS A 3 0.087 -2.648 9.821 1.00 0.40 H new ATOM 0 HB2 LYS A 3 -1.721 -4.204 8.633 1.00 0.43 H new ATOM 0 HB3 LYS A 3 -0.438 -4.512 7.480 1.00 0.43 H new ATOM 0 HG2 LYS A 3 1.074 -4.976 9.579 1.00 0.54 H new ATOM 0 HG3 LYS A 3 -0.428 -5.068 10.478 1.00 0.54 H new ATOM 0 HD2 LYS A 3 -0.261 -7.305 9.820 1.00 0.48 H new ATOM 0 HD3 LYS A 3 -1.157 -6.684 8.449 1.00 0.48 H new ATOM 0 HE2 LYS A 3 1.299 -6.115 7.517 1.00 1.95 H new ATOM 0 HE3 LYS A 3 1.785 -7.370 8.640 1.00 1.95 H new ATOM 0 HZ1 LYS A 3 1.304 -8.286 6.457 1.00 2.89 H new ATOM 0 HZ2 LYS A 3 0.194 -8.884 7.594 1.00 2.89 H new ATOM 0 HZ3 LYS A 3 -0.277 -7.668 6.506 1.00 2.89 H new ATOM 58 N GLN A 4 2.329 -2.853 8.755 1.00 0.34 N ATOM 59 CA GLN A 4 3.682 -2.738 8.132 1.00 0.32 C ATOM 60 C GLN A 4 4.231 -4.134 7.821 1.00 0.24 C ATOM 61 O GLN A 4 4.073 -5.054 8.600 1.00 0.19 O ATOM 62 CB GLN A 4 4.621 -2.026 9.105 1.00 0.49 C ATOM 63 CG GLN A 4 6.010 -1.920 8.475 1.00 0.58 C ATOM 64 CD GLN A 4 6.782 -0.780 9.142 1.00 0.73 C ATOM 65 OE1 GLN A 4 6.248 0.281 9.397 1.00 0.78 O ATOM 66 NE2 GLN A 4 8.039 -0.958 9.442 1.00 1.83 N ATOM 0 H GLN A 4 2.324 -3.086 9.748 1.00 0.34 H new ATOM 0 HA GLN A 4 3.609 -2.169 7.205 1.00 0.32 H new ATOM 0 HB2 GLN A 4 4.237 -1.033 9.338 1.00 0.49 H new ATOM 0 HB3 GLN A 4 4.676 -2.576 10.045 1.00 0.49 H new ATOM 0 HG2 GLN A 4 6.549 -2.859 8.596 1.00 0.58 H new ATOM 0 HG3 GLN A 4 5.923 -1.738 7.404 1.00 0.58 H new ATOM 0 HE21 GLN A 4 8.493 -1.847 9.230 1.00 1.83 H new ATOM 0 HE22 GLN A 4 8.568 -0.209 9.888 1.00 1.83 H new ATOM 75 N ILE A 5 4.864 -4.264 6.686 1.00 0.26 N ATOM 76 CA ILE A 5 5.426 -5.596 6.309 1.00 0.27 C ATOM 77 C ILE A 5 6.815 -5.781 6.939 1.00 0.41 C ATOM 78 O ILE A 5 7.285 -4.934 7.674 1.00 0.54 O ATOM 79 CB ILE A 5 5.541 -5.670 4.779 1.00 0.27 C ATOM 80 CG1 ILE A 5 4.204 -5.231 4.146 1.00 0.32 C ATOM 81 CG2 ILE A 5 5.893 -7.109 4.340 1.00 0.28 C ATOM 82 CD1 ILE A 5 3.047 -6.057 4.726 1.00 0.31 C ATOM 0 H ILE A 5 5.016 -3.516 6.010 1.00 0.26 H new ATOM 0 HA ILE A 5 4.768 -6.385 6.673 1.00 0.27 H new ATOM 0 HB ILE A 5 6.335 -5.003 4.443 1.00 0.27 H new ATOM 0 HG12 ILE A 5 4.034 -4.171 4.335 1.00 0.32 H new ATOM 0 HG13 ILE A 5 4.246 -5.359 3.064 1.00 0.32 H new ATOM 0 HG21 ILE A 5 5.972 -7.149 3.254 1.00 0.28 H new ATOM 0 HG22 ILE A 5 6.844 -7.402 4.784 1.00 0.28 H new ATOM 0 HG23 ILE A 5 5.111 -7.792 4.672 1.00 0.28 H new ATOM 0 HD11 ILE A 5 2.109 -5.738 4.272 1.00 0.31 H new ATOM 0 HD12 ILE A 5 3.212 -7.113 4.514 1.00 0.31 H new ATOM 0 HD13 ILE A 5 2.997 -5.907 5.804 1.00 0.31 H new ATOM 94 N GLU A 6 7.440 -6.890 6.635 1.00 0.46 N ATOM 95 CA GLU A 6 8.798 -7.155 7.200 1.00 0.62 C ATOM 96 C GLU A 6 9.693 -7.799 6.136 1.00 0.49 C ATOM 97 O GLU A 6 10.845 -7.440 5.990 1.00 0.41 O ATOM 98 CB GLU A 6 8.665 -8.098 8.395 1.00 0.94 C ATOM 99 CG GLU A 6 10.011 -8.781 8.646 1.00 1.61 C ATOM 100 CD GLU A 6 10.057 -9.303 10.084 1.00 1.83 C ATOM 101 OE1 GLU A 6 9.211 -10.127 10.388 1.00 2.07 O ATOM 102 OE2 GLU A 6 10.938 -8.849 10.797 1.00 2.34 O ATOM 0 H GLU A 6 7.072 -7.619 6.024 1.00 0.46 H new ATOM 0 HA GLU A 6 9.248 -6.214 7.518 1.00 0.62 H new ATOM 0 HB2 GLU A 6 8.355 -7.542 9.280 1.00 0.94 H new ATOM 0 HB3 GLU A 6 7.895 -8.845 8.201 1.00 0.94 H new ATOM 0 HG2 GLU A 6 10.150 -9.604 7.944 1.00 1.61 H new ATOM 0 HG3 GLU A 6 10.826 -8.077 8.477 1.00 1.61 H new ATOM 109 N SER A 7 9.143 -8.737 5.415 1.00 0.49 N ATOM 110 CA SER A 7 9.949 -9.415 4.357 1.00 0.43 C ATOM 111 C SER A 7 9.055 -9.796 3.171 1.00 0.42 C ATOM 112 O SER A 7 7.867 -9.536 3.178 1.00 0.40 O ATOM 113 CB SER A 7 10.585 -10.675 4.941 1.00 0.61 C ATOM 114 OG SER A 7 9.499 -11.364 5.545 1.00 0.62 O ATOM 0 H SER A 7 8.181 -9.062 5.510 1.00 0.49 H new ATOM 0 HA SER A 7 10.726 -8.734 4.008 1.00 0.43 H new ATOM 0 HB2 SER A 7 11.058 -11.278 4.166 1.00 0.61 H new ATOM 0 HB3 SER A 7 11.357 -10.430 5.671 1.00 0.61 H new ATOM 0 HG SER A 7 9.823 -12.196 5.948 1.00 0.62 H new ATOM 120 N LYS A 8 9.646 -10.403 2.177 1.00 0.51 N ATOM 121 CA LYS A 8 8.845 -10.808 0.982 1.00 0.63 C ATOM 122 C LYS A 8 8.044 -12.070 1.288 1.00 0.83 C ATOM 123 O LYS A 8 6.860 -12.144 1.019 1.00 0.79 O ATOM 124 CB LYS A 8 9.791 -11.075 -0.187 1.00 0.87 C ATOM 125 CG LYS A 8 8.971 -11.458 -1.421 1.00 1.02 C ATOM 126 CD LYS A 8 9.892 -11.498 -2.643 1.00 1.83 C ATOM 127 CE LYS A 8 10.995 -12.533 -2.408 1.00 1.77 C ATOM 128 NZ LYS A 8 11.483 -13.077 -3.706 1.00 2.34 N ATOM 0 H LYS A 8 10.639 -10.635 2.139 1.00 0.51 H new ATOM 0 HA LYS A 8 8.153 -10.006 0.724 1.00 0.63 H new ATOM 0 HB2 LYS A 8 10.391 -10.189 -0.395 1.00 0.87 H new ATOM 0 HB3 LYS A 8 10.485 -11.877 0.067 1.00 0.87 H new ATOM 0 HG2 LYS A 8 8.501 -12.430 -1.273 1.00 1.02 H new ATOM 0 HG3 LYS A 8 8.169 -10.737 -1.578 1.00 1.02 H new ATOM 0 HD2 LYS A 8 9.321 -11.754 -3.536 1.00 1.83 H new ATOM 0 HD3 LYS A 8 10.330 -10.515 -2.816 1.00 1.83 H new ATOM 0 HE2 LYS A 8 11.822 -12.076 -1.865 1.00 1.77 H new ATOM 0 HE3 LYS A 8 10.615 -13.344 -1.787 1.00 1.77 H new ATOM 0 HZ1 LYS A 8 12.231 -13.778 -3.530 1.00 2.34 H new ATOM 0 HZ2 LYS A 8 10.695 -13.531 -4.210 1.00 2.34 H new ATOM 0 HZ3 LYS A 8 11.864 -12.302 -4.286 1.00 2.34 H new ATOM 142 N THR A 9 8.710 -13.031 1.843 1.00 1.06 N ATOM 143 CA THR A 9 8.020 -14.303 2.182 1.00 1.33 C ATOM 144 C THR A 9 6.723 -14.002 2.924 1.00 1.28 C ATOM 145 O THR A 9 5.737 -14.697 2.776 1.00 1.42 O ATOM 146 CB THR A 9 8.939 -15.147 3.069 1.00 1.54 C ATOM 147 OG1 THR A 9 10.123 -15.325 2.299 1.00 1.59 O ATOM 148 CG2 THR A 9 8.384 -16.551 3.282 1.00 1.93 C ATOM 0 H THR A 9 9.702 -12.996 2.078 1.00 1.06 H new ATOM 0 HA THR A 9 7.787 -14.850 1.268 1.00 1.33 H new ATOM 0 HB THR A 9 9.070 -14.660 4.035 1.00 1.54 H new ATOM 0 HG1 THR A 9 10.767 -15.861 2.808 1.00 1.59 H new ATOM 0 HG21 THR A 9 9.065 -17.119 3.916 1.00 1.93 H new ATOM 0 HG22 THR A 9 7.408 -16.487 3.763 1.00 1.93 H new ATOM 0 HG23 THR A 9 8.282 -17.052 2.319 1.00 1.93 H new ATOM 156 N ALA A 10 6.758 -12.970 3.704 1.00 1.14 N ATOM 157 CA ALA A 10 5.547 -12.583 4.469 1.00 1.19 C ATOM 158 C ALA A 10 4.576 -11.825 3.567 1.00 0.94 C ATOM 159 O ALA A 10 3.397 -12.121 3.532 1.00 0.97 O ATOM 160 CB ALA A 10 5.956 -11.687 5.629 1.00 1.22 C ATOM 0 H ALA A 10 7.573 -12.374 3.848 1.00 1.14 H new ATOM 0 HA ALA A 10 5.058 -13.482 4.844 1.00 1.19 H new ATOM 0 HB1 ALA A 10 5.071 -11.399 6.196 1.00 1.22 H new ATOM 0 HB2 ALA A 10 6.644 -12.226 6.280 1.00 1.22 H new ATOM 0 HB3 ALA A 10 6.447 -10.793 5.243 1.00 1.22 H new ATOM 166 N PHE A 11 5.097 -10.855 2.860 1.00 0.70 N ATOM 167 CA PHE A 11 4.231 -10.058 1.943 1.00 0.44 C ATOM 168 C PHE A 11 3.265 -10.984 1.204 1.00 0.49 C ATOM 169 O PHE A 11 2.177 -10.592 0.836 1.00 0.36 O ATOM 170 CB PHE A 11 5.121 -9.331 0.934 1.00 0.28 C ATOM 171 CG PHE A 11 4.247 -8.643 -0.117 1.00 0.24 C ATOM 172 CD1 PHE A 11 3.360 -7.647 0.253 1.00 0.34 C ATOM 173 CD2 PHE A 11 4.332 -9.006 -1.450 1.00 0.30 C ATOM 174 CE1 PHE A 11 2.573 -7.027 -0.694 1.00 0.34 C ATOM 175 CE2 PHE A 11 3.543 -8.383 -2.395 1.00 0.26 C ATOM 176 CZ PHE A 11 2.665 -7.394 -2.017 1.00 0.18 C ATOM 0 H PHE A 11 6.080 -10.582 2.878 1.00 0.70 H new ATOM 0 HA PHE A 11 3.654 -9.335 2.518 1.00 0.44 H new ATOM 0 HB2 PHE A 11 5.741 -8.594 1.445 1.00 0.28 H new ATOM 0 HB3 PHE A 11 5.797 -10.038 0.453 1.00 0.28 H new ATOM 0 HD1 PHE A 11 3.284 -7.354 1.290 1.00 0.34 H new ATOM 0 HD2 PHE A 11 5.020 -9.782 -1.752 1.00 0.30 H new ATOM 0 HE1 PHE A 11 1.883 -6.251 -0.397 1.00 0.34 H new ATOM 0 HE2 PHE A 11 3.615 -8.672 -3.433 1.00 0.26 H new ATOM 0 HZ PHE A 11 2.049 -6.906 -2.758 1.00 0.18 H new ATOM 186 N GLN A 12 3.693 -12.200 1.002 1.00 0.74 N ATOM 187 CA GLN A 12 2.816 -13.180 0.295 1.00 0.88 C ATOM 188 C GLN A 12 1.721 -13.681 1.234 1.00 0.90 C ATOM 189 O GLN A 12 0.545 -13.574 0.946 1.00 0.80 O ATOM 190 CB GLN A 12 3.664 -14.359 -0.181 1.00 1.15 C ATOM 191 CG GLN A 12 4.796 -13.837 -1.069 1.00 1.31 C ATOM 192 CD GLN A 12 5.072 -14.847 -2.184 1.00 1.78 C ATOM 193 OE1 GLN A 12 6.041 -15.579 -2.146 1.00 2.66 O ATOM 194 NE2 GLN A 12 4.247 -14.918 -3.192 1.00 1.85 N ATOM 0 H GLN A 12 4.603 -12.557 1.292 1.00 0.74 H new ATOM 0 HA GLN A 12 2.348 -12.692 -0.560 1.00 0.88 H new ATOM 0 HB2 GLN A 12 4.074 -14.896 0.674 1.00 1.15 H new ATOM 0 HB3 GLN A 12 3.047 -15.066 -0.735 1.00 1.15 H new ATOM 0 HG2 GLN A 12 4.523 -12.872 -1.496 1.00 1.31 H new ATOM 0 HG3 GLN A 12 5.696 -13.679 -0.475 1.00 1.31 H new ATOM 0 HE21 GLN A 12 3.432 -14.306 -3.228 1.00 1.85 H new ATOM 0 HE22 GLN A 12 4.417 -15.586 -3.944 1.00 1.85 H new ATOM 203 N GLU A 13 2.139 -14.217 2.336 1.00 1.10 N ATOM 204 CA GLU A 13 1.152 -14.744 3.324 1.00 1.19 C ATOM 205 C GLU A 13 0.117 -13.669 3.668 1.00 1.06 C ATOM 206 O GLU A 13 -1.049 -13.961 3.841 1.00 1.12 O ATOM 207 CB GLU A 13 1.892 -15.164 4.593 1.00 1.35 C ATOM 208 CG GLU A 13 3.003 -16.147 4.221 1.00 1.96 C ATOM 209 CD GLU A 13 3.720 -16.607 5.492 1.00 2.19 C ATOM 210 OE1 GLU A 13 3.201 -16.294 6.550 1.00 1.42 O ATOM 211 OE2 GLU A 13 4.748 -17.245 5.331 1.00 3.35 O ATOM 0 H GLU A 13 3.119 -14.317 2.602 1.00 1.10 H new ATOM 0 HA GLU A 13 0.636 -15.601 2.892 1.00 1.19 H new ATOM 0 HB2 GLU A 13 2.314 -14.290 5.089 1.00 1.35 H new ATOM 0 HB3 GLU A 13 1.200 -15.627 5.296 1.00 1.35 H new ATOM 0 HG2 GLU A 13 2.584 -17.005 3.696 1.00 1.96 H new ATOM 0 HG3 GLU A 13 3.711 -15.673 3.542 1.00 1.96 H new ATOM 218 N ALA A 14 0.564 -12.445 3.756 1.00 0.91 N ATOM 219 CA ALA A 14 -0.386 -11.346 4.087 1.00 0.82 C ATOM 220 C ALA A 14 -1.531 -11.323 3.071 1.00 0.70 C ATOM 221 O ALA A 14 -2.687 -11.233 3.434 1.00 0.77 O ATOM 222 CB ALA A 14 0.357 -10.012 4.052 1.00 0.75 C ATOM 0 H ALA A 14 1.534 -12.161 3.615 1.00 0.91 H new ATOM 0 HA ALA A 14 -0.798 -11.511 5.082 1.00 0.82 H new ATOM 0 HB1 ALA A 14 -0.334 -9.204 4.294 1.00 0.75 H new ATOM 0 HB2 ALA A 14 1.167 -10.027 4.782 1.00 0.75 H new ATOM 0 HB3 ALA A 14 0.769 -9.851 3.056 1.00 0.75 H new ATOM 228 N LEU A 15 -1.182 -11.407 1.817 1.00 0.56 N ATOM 229 CA LEU A 15 -2.235 -11.398 0.761 1.00 0.45 C ATOM 230 C LEU A 15 -3.045 -12.696 0.820 1.00 0.55 C ATOM 231 O LEU A 15 -4.069 -12.822 0.179 1.00 0.52 O ATOM 232 CB LEU A 15 -1.567 -11.274 -0.609 1.00 0.45 C ATOM 233 CG LEU A 15 -0.730 -9.990 -0.652 1.00 0.34 C ATOM 234 CD1 LEU A 15 -0.026 -9.900 -2.005 1.00 0.46 C ATOM 235 CD2 LEU A 15 -1.644 -8.770 -0.482 1.00 0.16 C ATOM 0 H LEU A 15 -0.222 -11.481 1.479 1.00 0.56 H new ATOM 0 HA LEU A 15 -2.905 -10.554 0.924 1.00 0.45 H new ATOM 0 HB2 LEU A 15 -0.933 -12.141 -0.797 1.00 0.45 H new ATOM 0 HB3 LEU A 15 -2.323 -11.255 -1.394 1.00 0.45 H new ATOM 0 HG LEU A 15 0.004 -10.008 0.153 1.00 0.34 H new ATOM 0 HD11 LEU A 15 0.572 -8.989 -2.044 1.00 0.46 H new ATOM 0 HD12 LEU A 15 0.623 -10.766 -2.136 1.00 0.46 H new ATOM 0 HD13 LEU A 15 -0.770 -9.880 -2.802 1.00 0.46 H new ATOM 0 HD21 LEU A 15 -1.045 -7.860 -0.513 1.00 0.16 H new ATOM 0 HD22 LEU A 15 -2.377 -8.750 -1.288 1.00 0.16 H new ATOM 0 HD23 LEU A 15 -2.160 -8.832 0.476 1.00 0.16 H new ATOM 247 N ASP A 16 -2.568 -13.633 1.593 1.00 0.67 N ATOM 248 CA ASP A 16 -3.301 -14.928 1.711 1.00 0.78 C ATOM 249 C ASP A 16 -4.228 -14.895 2.926 1.00 0.83 C ATOM 250 O ASP A 16 -5.239 -15.568 2.960 1.00 0.88 O ATOM 251 CB ASP A 16 -2.293 -16.068 1.867 1.00 0.91 C ATOM 252 CG ASP A 16 -2.962 -17.392 1.491 1.00 1.05 C ATOM 253 OD1 ASP A 16 -3.613 -17.937 2.368 1.00 0.69 O ATOM 254 OD2 ASP A 16 -2.784 -17.784 0.349 1.00 1.83 O ATOM 0 H ASP A 16 -1.712 -13.561 2.143 1.00 0.67 H new ATOM 0 HA ASP A 16 -3.898 -15.086 0.813 1.00 0.78 H new ATOM 0 HB2 ASP A 16 -1.426 -15.892 1.230 1.00 0.91 H new ATOM 0 HB3 ASP A 16 -1.930 -16.110 2.894 1.00 0.91 H new ATOM 259 N ALA A 17 -3.859 -14.107 3.893 1.00 0.85 N ATOM 260 CA ALA A 17 -4.701 -14.001 5.123 1.00 0.94 C ATOM 261 C ALA A 17 -5.556 -12.733 5.058 1.00 0.78 C ATOM 262 O ALA A 17 -6.310 -12.438 5.964 1.00 0.79 O ATOM 263 CB ALA A 17 -3.791 -13.938 6.348 1.00 1.17 C ATOM 0 H ALA A 17 -3.016 -13.533 3.890 1.00 0.85 H new ATOM 0 HA ALA A 17 -5.355 -14.870 5.192 1.00 0.94 H new ATOM 0 HB1 ALA A 17 -4.399 -13.861 7.249 1.00 1.17 H new ATOM 0 HB2 ALA A 17 -3.183 -14.842 6.397 1.00 1.17 H new ATOM 0 HB3 ALA A 17 -3.140 -13.067 6.273 1.00 1.17 H new ATOM 269 N ALA A 18 -5.415 -12.011 3.980 1.00 0.66 N ATOM 270 CA ALA A 18 -6.205 -10.756 3.822 1.00 0.56 C ATOM 271 C ALA A 18 -7.559 -11.065 3.179 1.00 0.36 C ATOM 272 O ALA A 18 -8.241 -10.177 2.704 1.00 0.38 O ATOM 273 CB ALA A 18 -5.428 -9.795 2.929 1.00 0.56 C ATOM 0 H ALA A 18 -4.790 -12.234 3.205 1.00 0.66 H new ATOM 0 HA ALA A 18 -6.373 -10.307 4.801 1.00 0.56 H new ATOM 0 HB1 ALA A 18 -5.996 -8.873 2.806 1.00 0.56 H new ATOM 0 HB2 ALA A 18 -4.465 -9.570 3.388 1.00 0.56 H new ATOM 0 HB3 ALA A 18 -5.266 -10.254 1.954 1.00 0.56 H new ATOM 279 N GLY A 19 -7.919 -12.318 3.176 1.00 0.32 N ATOM 280 CA GLY A 19 -9.220 -12.702 2.566 1.00 0.25 C ATOM 281 C GLY A 19 -9.248 -12.312 1.089 1.00 0.27 C ATOM 282 O GLY A 19 -8.511 -12.854 0.288 1.00 0.25 O ATOM 0 H GLY A 19 -7.373 -13.086 3.566 1.00 0.32 H new ATOM 0 HA2 GLY A 19 -9.375 -13.776 2.669 1.00 0.25 H new ATOM 0 HA3 GLY A 19 -10.037 -12.210 3.095 1.00 0.25 H new ATOM 286 N ASP A 20 -10.099 -11.379 0.757 1.00 0.37 N ATOM 287 CA ASP A 20 -10.186 -10.941 -0.671 1.00 0.45 C ATOM 288 C ASP A 20 -10.455 -9.434 -0.769 1.00 0.52 C ATOM 289 O ASP A 20 -10.205 -8.832 -1.793 1.00 0.57 O ATOM 290 CB ASP A 20 -11.319 -11.702 -1.357 1.00 0.54 C ATOM 291 CG ASP A 20 -11.616 -12.981 -0.572 1.00 1.10 C ATOM 292 OD1 ASP A 20 -10.962 -13.965 -0.874 1.00 1.63 O ATOM 293 OD2 ASP A 20 -12.480 -12.902 0.286 1.00 2.03 O ATOM 0 H ASP A 20 -10.731 -10.905 1.401 1.00 0.37 H new ATOM 0 HA ASP A 20 -9.235 -11.153 -1.160 1.00 0.45 H new ATOM 0 HB2 ASP A 20 -12.212 -11.079 -1.410 1.00 0.54 H new ATOM 0 HB3 ASP A 20 -11.040 -11.947 -2.382 1.00 0.54 H new ATOM 298 N LYS A 21 -10.966 -8.860 0.290 1.00 0.55 N ATOM 299 CA LYS A 21 -11.250 -7.394 0.259 1.00 0.63 C ATOM 300 C LYS A 21 -10.084 -6.650 -0.390 1.00 0.59 C ATOM 301 O LYS A 21 -8.959 -7.103 -0.346 1.00 0.65 O ATOM 302 CB LYS A 21 -11.446 -6.891 1.685 1.00 0.66 C ATOM 303 CG LYS A 21 -12.603 -7.654 2.327 1.00 0.68 C ATOM 304 CD LYS A 21 -12.106 -8.340 3.599 1.00 0.66 C ATOM 305 CE LYS A 21 -13.249 -9.154 4.206 1.00 0.69 C ATOM 306 NZ LYS A 21 -14.488 -8.332 4.284 1.00 1.00 N ATOM 0 H LYS A 21 -11.196 -9.335 1.163 1.00 0.55 H new ATOM 0 HA LYS A 21 -12.154 -7.214 -0.323 1.00 0.63 H new ATOM 0 HB2 LYS A 21 -10.533 -7.034 2.264 1.00 0.66 H new ATOM 0 HB3 LYS A 21 -11.656 -5.821 1.681 1.00 0.66 H new ATOM 0 HG2 LYS A 21 -13.419 -6.971 2.563 1.00 0.68 H new ATOM 0 HG3 LYS A 21 -12.998 -8.394 1.631 1.00 0.68 H new ATOM 0 HD2 LYS A 21 -11.261 -8.990 3.371 1.00 0.66 H new ATOM 0 HD3 LYS A 21 -11.752 -7.597 4.314 1.00 0.66 H new ATOM 0 HE2 LYS A 21 -13.432 -10.042 3.602 1.00 0.69 H new ATOM 0 HE3 LYS A 21 -12.970 -9.498 5.202 1.00 0.69 H new ATOM 0 HZ1 LYS A 21 -15.145 -8.758 4.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -14.246 -7.368 4.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -14.939 -8.295 3.348 1.00 1.00 H new ATOM 320 N LEU A 22 -10.376 -5.528 -0.979 1.00 0.49 N ATOM 321 CA LEU A 22 -9.294 -4.751 -1.639 1.00 0.44 C ATOM 322 C LEU A 22 -8.065 -4.671 -0.728 1.00 0.39 C ATOM 323 O LEU A 22 -8.190 -4.548 0.475 1.00 0.40 O ATOM 324 CB LEU A 22 -9.805 -3.344 -1.934 1.00 0.43 C ATOM 325 CG LEU A 22 -9.944 -3.158 -3.452 1.00 0.24 C ATOM 326 CD1 LEU A 22 -10.569 -1.786 -3.731 1.00 1.33 C ATOM 327 CD2 LEU A 22 -8.555 -3.236 -4.115 1.00 1.22 C ATOM 0 H LEU A 22 -11.308 -5.117 -1.033 1.00 0.49 H new ATOM 0 HA LEU A 22 -9.008 -5.247 -2.567 1.00 0.44 H new ATOM 0 HB2 LEU A 22 -10.768 -3.186 -1.448 1.00 0.43 H new ATOM 0 HB3 LEU A 22 -9.117 -2.603 -1.527 1.00 0.43 H new ATOM 0 HG LEU A 22 -10.579 -3.944 -3.861 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -10.672 -1.645 -4.807 1.00 1.33 H new ATOM 0 HD12 LEU A 22 -11.552 -1.732 -3.263 1.00 1.33 H new ATOM 0 HD13 LEU A 22 -9.929 -1.004 -3.322 1.00 1.33 H new ATOM 0 HD21 LEU A 22 -8.658 -3.104 -5.192 1.00 1.22 H new ATOM 0 HD22 LEU A 22 -7.915 -2.451 -3.712 1.00 1.22 H new ATOM 0 HD23 LEU A 22 -8.108 -4.209 -3.910 1.00 1.22 H new ATOM 339 N VAL A 23 -6.905 -4.745 -1.329 1.00 0.35 N ATOM 340 CA VAL A 23 -5.646 -4.677 -0.530 1.00 0.29 C ATOM 341 C VAL A 23 -4.694 -3.684 -1.208 1.00 0.23 C ATOM 342 O VAL A 23 -3.988 -4.034 -2.131 1.00 0.22 O ATOM 343 CB VAL A 23 -5.010 -6.088 -0.493 1.00 0.25 C ATOM 344 CG1 VAL A 23 -4.083 -6.245 0.727 1.00 0.25 C ATOM 345 CG2 VAL A 23 -6.119 -7.144 -0.409 1.00 0.26 C ATOM 0 H VAL A 23 -6.776 -4.849 -2.335 1.00 0.35 H new ATOM 0 HA VAL A 23 -5.847 -4.346 0.489 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.423 -6.221 -1.401 1.00 0.25 H new ATOM 0 HG11 VAL A 23 -3.650 -7.245 0.728 1.00 0.25 H new ATOM 0 HG12 VAL A 23 -3.285 -5.504 0.676 1.00 0.25 H new ATOM 0 HG13 VAL A 23 -4.657 -6.097 1.642 1.00 0.25 H new ATOM 0 HG21 VAL A 23 -5.673 -8.138 -0.383 1.00 0.26 H new ATOM 0 HG22 VAL A 23 -6.705 -6.985 0.496 1.00 0.26 H new ATOM 0 HG23 VAL A 23 -6.768 -7.060 -1.281 1.00 0.26 H new ATOM 355 N VAL A 24 -4.692 -2.465 -0.729 1.00 0.21 N ATOM 356 CA VAL A 24 -3.822 -1.427 -1.370 1.00 0.15 C ATOM 357 C VAL A 24 -2.525 -1.228 -0.579 1.00 0.14 C ATOM 358 O VAL A 24 -2.550 -0.913 0.594 1.00 0.38 O ATOM 359 CB VAL A 24 -4.602 -0.111 -1.428 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.741 0.965 -2.100 1.00 0.07 C ATOM 361 CG2 VAL A 24 -5.887 -0.324 -2.247 1.00 0.15 C ATOM 0 H VAL A 24 -5.245 -2.145 0.066 1.00 0.21 H new ATOM 0 HA VAL A 24 -3.552 -1.756 -2.374 1.00 0.15 H new ATOM 0 HB VAL A 24 -4.857 0.210 -0.418 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.296 1.902 -2.141 1.00 0.07 H new ATOM 0 HG12 VAL A 24 -2.826 1.110 -1.525 1.00 0.07 H new ATOM 0 HG13 VAL A 24 -3.487 0.649 -3.112 1.00 0.07 H new ATOM 0 HG21 VAL A 24 -6.448 0.609 -2.293 1.00 0.15 H new ATOM 0 HG22 VAL A 24 -5.626 -0.641 -3.257 1.00 0.15 H new ATOM 0 HG23 VAL A 24 -6.498 -1.092 -1.772 1.00 0.15 H new ATOM 371 N VAL A 25 -1.415 -1.394 -1.259 1.00 0.15 N ATOM 372 CA VAL A 25 -0.094 -1.223 -0.576 1.00 0.12 C ATOM 373 C VAL A 25 0.442 0.186 -0.786 1.00 0.11 C ATOM 374 O VAL A 25 0.130 0.834 -1.766 1.00 0.14 O ATOM 375 CB VAL A 25 0.910 -2.220 -1.151 1.00 0.11 C ATOM 376 CG1 VAL A 25 2.283 -1.951 -0.537 1.00 0.28 C ATOM 377 CG2 VAL A 25 0.481 -3.640 -0.802 1.00 0.31 C ATOM 0 H VAL A 25 -1.367 -1.638 -2.248 1.00 0.15 H new ATOM 0 HA VAL A 25 -0.234 -1.397 0.491 1.00 0.12 H new ATOM 0 HB VAL A 25 0.953 -2.109 -2.234 1.00 0.11 H new ATOM 0 HG11 VAL A 25 3.007 -2.658 -0.941 1.00 0.28 H new ATOM 0 HG12 VAL A 25 2.596 -0.935 -0.776 1.00 0.28 H new ATOM 0 HG13 VAL A 25 2.227 -2.068 0.545 1.00 0.28 H new ATOM 0 HG21 VAL A 25 1.199 -4.349 -1.214 1.00 0.31 H new ATOM 0 HG22 VAL A 25 0.441 -3.752 0.281 1.00 0.31 H new ATOM 0 HG23 VAL A 25 -0.505 -3.836 -1.224 1.00 0.31 H new ATOM 387 N ASP A 26 1.242 0.625 0.148 1.00 0.20 N ATOM 388 CA ASP A 26 1.843 1.985 0.038 1.00 0.18 C ATOM 389 C ASP A 26 3.364 1.876 0.119 1.00 0.16 C ATOM 390 O ASP A 26 3.941 1.919 1.188 1.00 0.16 O ATOM 391 CB ASP A 26 1.335 2.851 1.184 1.00 0.17 C ATOM 392 CG ASP A 26 1.950 4.247 1.072 1.00 0.15 C ATOM 393 OD1 ASP A 26 2.021 4.718 -0.051 1.00 1.33 O ATOM 394 OD2 ASP A 26 2.313 4.764 2.115 1.00 1.06 O ATOM 0 H ASP A 26 1.505 0.101 0.982 1.00 0.20 H new ATOM 0 HA ASP A 26 1.562 2.435 -0.914 1.00 0.18 H new ATOM 0 HB2 ASP A 26 0.247 2.916 1.152 1.00 0.17 H new ATOM 0 HB3 ASP A 26 1.599 2.400 2.141 1.00 0.17 H new ATOM 399 N PHE A 27 3.980 1.725 -1.016 1.00 0.15 N ATOM 400 CA PHE A 27 5.461 1.609 -1.037 1.00 0.14 C ATOM 401 C PHE A 27 6.098 2.987 -0.867 1.00 0.12 C ATOM 402 O PHE A 27 6.221 3.740 -1.813 1.00 0.10 O ATOM 403 CB PHE A 27 5.884 1.003 -2.368 1.00 0.14 C ATOM 404 CG PHE A 27 5.566 -0.498 -2.371 1.00 0.16 C ATOM 405 CD1 PHE A 27 6.429 -1.396 -1.766 1.00 0.14 C ATOM 406 CD2 PHE A 27 4.411 -0.980 -2.979 1.00 0.21 C ATOM 407 CE1 PHE A 27 6.150 -2.747 -1.771 1.00 0.16 C ATOM 408 CE2 PHE A 27 4.141 -2.338 -2.976 1.00 0.23 C ATOM 409 CZ PHE A 27 5.010 -3.215 -2.374 1.00 0.20 C ATOM 0 H PHE A 27 3.524 1.677 -1.927 1.00 0.15 H new ATOM 0 HA PHE A 27 5.792 0.972 -0.217 1.00 0.14 H new ATOM 0 HB2 PHE A 27 5.362 1.498 -3.187 1.00 0.14 H new ATOM 0 HB3 PHE A 27 6.951 1.160 -2.529 1.00 0.14 H new ATOM 0 HD1 PHE A 27 7.327 -1.036 -1.287 1.00 0.14 H new ATOM 0 HD2 PHE A 27 3.725 -0.294 -3.454 1.00 0.21 H new ATOM 0 HE1 PHE A 27 6.832 -3.439 -1.298 1.00 0.16 H new ATOM 0 HE2 PHE A 27 3.244 -2.709 -3.449 1.00 0.23 H new ATOM 0 HZ PHE A 27 4.796 -4.274 -2.375 1.00 0.20 H new ATOM 419 N SER A 28 6.491 3.288 0.340 1.00 0.12 N ATOM 420 CA SER A 28 7.118 4.615 0.595 1.00 0.11 C ATOM 421 C SER A 28 8.181 4.491 1.690 1.00 0.09 C ATOM 422 O SER A 28 8.531 3.399 2.093 1.00 0.18 O ATOM 423 CB SER A 28 6.039 5.599 1.043 1.00 0.11 C ATOM 424 OG SER A 28 5.850 5.304 2.419 1.00 0.92 O ATOM 0 H SER A 28 6.406 2.679 1.154 1.00 0.12 H new ATOM 0 HA SER A 28 7.591 4.973 -0.320 1.00 0.11 H new ATOM 0 HB2 SER A 28 6.356 6.632 0.897 1.00 0.11 H new ATOM 0 HB3 SER A 28 5.117 5.465 0.476 1.00 0.11 H new ATOM 0 HG SER A 28 5.166 5.899 2.790 1.00 0.92 H new ATOM 430 N ALA A 29 8.668 5.618 2.148 1.00 0.05 N ATOM 431 CA ALA A 29 9.712 5.595 3.222 1.00 0.07 C ATOM 432 C ALA A 29 9.131 6.130 4.535 1.00 0.08 C ATOM 433 O ALA A 29 8.327 7.042 4.536 1.00 0.21 O ATOM 434 CB ALA A 29 10.888 6.469 2.794 1.00 0.07 C ATOM 0 H ALA A 29 8.391 6.546 1.829 1.00 0.05 H new ATOM 0 HA ALA A 29 10.047 4.569 3.376 1.00 0.07 H new ATOM 0 HB1 ALA A 29 11.652 6.457 3.571 1.00 0.07 H new ATOM 0 HB2 ALA A 29 11.309 6.083 1.865 1.00 0.07 H new ATOM 0 HB3 ALA A 29 10.544 7.492 2.639 1.00 0.07 H new ATOM 440 N THR A 30 9.552 5.552 5.628 1.00 0.23 N ATOM 441 CA THR A 30 9.034 6.015 6.949 1.00 0.26 C ATOM 442 C THR A 30 9.952 7.094 7.527 1.00 0.39 C ATOM 443 O THR A 30 9.510 7.987 8.223 1.00 0.44 O ATOM 444 CB THR A 30 8.979 4.826 7.911 1.00 0.41 C ATOM 445 OG1 THR A 30 8.247 5.302 9.036 1.00 0.42 O ATOM 446 CG2 THR A 30 10.366 4.479 8.452 1.00 0.58 C ATOM 0 H THR A 30 10.225 4.787 5.665 1.00 0.23 H new ATOM 0 HA THR A 30 8.036 6.433 6.816 1.00 0.26 H new ATOM 0 HB THR A 30 8.557 3.958 7.405 1.00 0.41 H new ATOM 0 HG1 THR A 30 8.169 4.587 9.702 1.00 0.42 H new ATOM 0 HG21 THR A 30 10.290 3.630 9.132 1.00 0.58 H new ATOM 0 HG22 THR A 30 11.026 4.222 7.623 1.00 0.58 H new ATOM 0 HG23 THR A 30 10.773 5.337 8.987 1.00 0.58 H new ATOM 454 N TRP A 31 11.208 6.984 7.222 1.00 0.46 N ATOM 455 CA TRP A 31 12.186 7.982 7.736 1.00 0.61 C ATOM 456 C TRP A 31 11.975 9.336 7.046 1.00 0.62 C ATOM 457 O TRP A 31 11.923 10.365 7.690 1.00 0.72 O ATOM 458 CB TRP A 31 13.586 7.474 7.426 1.00 0.71 C ATOM 459 CG TRP A 31 13.654 7.139 5.936 1.00 0.59 C ATOM 460 CD1 TRP A 31 13.298 5.965 5.422 1.00 0.48 C ATOM 461 CD2 TRP A 31 14.025 7.979 4.983 1.00 0.61 C ATOM 462 NE1 TRP A 31 13.471 6.131 4.103 1.00 0.39 N ATOM 463 CE2 TRP A 31 13.925 7.377 3.741 1.00 0.49 C ATOM 464 CE3 TRP A 31 14.449 9.299 5.067 1.00 0.78 C ATOM 465 CZ2 TRP A 31 14.246 8.081 2.603 1.00 0.56 C ATOM 466 CZ3 TRP A 31 14.768 9.997 3.923 1.00 0.85 C ATOM 467 CH2 TRP A 31 14.667 9.389 2.693 1.00 0.75 C ATOM 0 H TRP A 31 11.604 6.247 6.639 1.00 0.46 H new ATOM 0 HA TRP A 31 12.051 8.113 8.810 1.00 0.61 H new ATOM 0 HB2 TRP A 31 14.329 8.230 7.680 1.00 0.71 H new ATOM 0 HB3 TRP A 31 13.811 6.591 8.025 1.00 0.71 H new ATOM 0 HD1 TRP A 31 12.951 5.085 5.944 1.00 0.48 H new ATOM 0 HE1 TRP A 31 13.281 5.394 3.424 1.00 0.39 H new ATOM 0 HE3 TRP A 31 14.529 9.779 6.031 1.00 0.78 H new ATOM 0 HZ2 TRP A 31 14.167 7.606 1.636 1.00 0.56 H new ATOM 0 HZ3 TRP A 31 15.098 11.023 3.992 1.00 0.85 H new ATOM 0 HH2 TRP A 31 14.918 9.938 1.797 1.00 0.75 H new ATOM 478 N CYS A 32 11.852 9.299 5.745 1.00 0.56 N ATOM 479 CA CYS A 32 11.656 10.568 4.985 1.00 0.64 C ATOM 480 C CYS A 32 10.554 11.415 5.635 1.00 0.62 C ATOM 481 O CYS A 32 9.765 10.920 6.414 1.00 0.55 O ATOM 482 CB CYS A 32 11.266 10.233 3.548 1.00 0.62 C ATOM 483 SG CYS A 32 11.747 11.412 2.261 1.00 0.62 S ATOM 0 H CYS A 32 11.879 8.451 5.179 1.00 0.56 H new ATOM 0 HA CYS A 32 12.584 11.139 4.994 1.00 0.64 H new ATOM 0 HB2 CYS A 32 11.700 9.265 3.298 1.00 0.62 H new ATOM 0 HB3 CYS A 32 10.183 10.116 3.511 1.00 0.62 H new ATOM 0 HG CYS A 32 11.324 10.991 1.106 1.00 0.62 H new ATOM 489 N GLY A 33 10.524 12.677 5.294 1.00 0.69 N ATOM 490 CA GLY A 33 9.489 13.581 5.884 1.00 0.67 C ATOM 491 C GLY A 33 8.287 13.759 4.938 1.00 0.65 C ATOM 492 O GLY A 33 7.191 13.330 5.240 1.00 0.61 O ATOM 0 H GLY A 33 11.166 13.120 4.637 1.00 0.69 H new ATOM 0 HA2 GLY A 33 9.147 13.172 6.835 1.00 0.67 H new ATOM 0 HA3 GLY A 33 9.933 14.554 6.096 1.00 0.67 H new ATOM 496 N PRO A 34 8.519 14.397 3.807 1.00 0.71 N ATOM 497 CA PRO A 34 7.452 14.639 2.828 1.00 0.73 C ATOM 498 C PRO A 34 6.685 13.352 2.510 1.00 0.68 C ATOM 499 O PRO A 34 5.479 13.369 2.373 1.00 0.74 O ATOM 500 CB PRO A 34 8.165 15.176 1.583 1.00 0.83 C ATOM 501 CG PRO A 34 9.643 15.458 1.988 1.00 0.87 C ATOM 502 CD PRO A 34 9.843 14.906 3.414 1.00 0.79 C ATOM 0 HA PRO A 34 6.710 15.342 3.207 1.00 0.73 H new ATOM 0 HB2 PRO A 34 8.120 14.451 0.770 1.00 0.83 H new ATOM 0 HB3 PRO A 34 7.683 16.086 1.225 1.00 0.83 H new ATOM 0 HG2 PRO A 34 10.330 14.979 1.291 1.00 0.87 H new ATOM 0 HG3 PRO A 34 9.852 16.527 1.957 1.00 0.87 H new ATOM 0 HD2 PRO A 34 10.592 14.115 3.431 1.00 0.79 H new ATOM 0 HD3 PRO A 34 10.186 15.684 4.095 1.00 0.79 H new ATOM 510 N CYS A 35 7.392 12.263 2.403 1.00 0.69 N ATOM 511 CA CYS A 35 6.693 10.982 2.102 1.00 0.64 C ATOM 512 C CYS A 35 5.729 10.641 3.239 1.00 0.54 C ATOM 513 O CYS A 35 4.742 9.964 3.034 1.00 0.40 O ATOM 514 CB CYS A 35 7.718 9.861 1.949 1.00 0.64 C ATOM 515 SG CYS A 35 9.220 10.229 1.010 1.00 0.49 S ATOM 0 H CYS A 35 8.405 12.202 2.508 1.00 0.69 H new ATOM 0 HA CYS A 35 6.133 11.089 1.173 1.00 0.64 H new ATOM 0 HB2 CYS A 35 8.015 9.538 2.947 1.00 0.64 H new ATOM 0 HB3 CYS A 35 7.223 9.014 1.474 1.00 0.64 H new ATOM 0 HG CYS A 35 9.964 11.052 1.687 1.00 0.49 H new ATOM 521 N LYS A 36 6.036 11.123 4.418 1.00 0.71 N ATOM 522 CA LYS A 36 5.150 10.841 5.576 1.00 0.67 C ATOM 523 C LYS A 36 4.219 12.032 5.824 1.00 0.67 C ATOM 524 O LYS A 36 3.499 12.065 6.792 1.00 0.66 O ATOM 525 CB LYS A 36 6.008 10.577 6.814 1.00 0.69 C ATOM 526 CG LYS A 36 5.097 10.198 7.990 1.00 0.77 C ATOM 527 CD LYS A 36 5.872 9.316 8.971 1.00 0.34 C ATOM 528 CE LYS A 36 7.078 10.093 9.503 1.00 1.05 C ATOM 529 NZ LYS A 36 6.658 11.435 9.995 1.00 2.07 N ATOM 0 H LYS A 36 6.856 11.694 4.622 1.00 0.71 H new ATOM 0 HA LYS A 36 4.542 9.962 5.364 1.00 0.67 H new ATOM 0 HB2 LYS A 36 6.717 9.774 6.615 1.00 0.69 H new ATOM 0 HB3 LYS A 36 6.592 11.463 7.062 1.00 0.69 H new ATOM 0 HG2 LYS A 36 4.743 11.097 8.494 1.00 0.77 H new ATOM 0 HG3 LYS A 36 4.216 9.669 7.626 1.00 0.77 H new ATOM 0 HD2 LYS A 36 5.226 9.015 9.796 1.00 0.34 H new ATOM 0 HD3 LYS A 36 6.202 8.403 8.475 1.00 0.34 H new ATOM 0 HE2 LYS A 36 7.550 9.534 10.311 1.00 1.05 H new ATOM 0 HE3 LYS A 36 7.823 10.205 8.715 1.00 1.05 H new ATOM 0 HZ1 LYS A 36 7.396 11.823 10.617 1.00 2.07 H new ATOM 0 HZ2 LYS A 36 6.516 12.073 9.186 1.00 2.07 H new ATOM 0 HZ3 LYS A 36 5.768 11.347 10.527 1.00 2.07 H new ATOM 543 N MET A 37 4.270 12.998 4.949 1.00 0.80 N ATOM 544 CA MET A 37 3.358 14.168 5.112 1.00 0.82 C ATOM 545 C MET A 37 2.001 13.793 4.519 1.00 0.76 C ATOM 546 O MET A 37 1.007 14.464 4.719 1.00 0.89 O ATOM 547 CB MET A 37 3.942 15.373 4.373 1.00 0.89 C ATOM 548 CG MET A 37 3.140 16.633 4.724 1.00 1.33 C ATOM 549 SD MET A 37 2.543 17.649 3.349 1.00 2.70 S ATOM 550 CE MET A 37 0.909 18.020 4.032 1.00 3.58 C ATOM 0 H MET A 37 4.892 13.031 4.141 1.00 0.80 H new ATOM 0 HA MET A 37 3.246 14.427 6.165 1.00 0.82 H new ATOM 0 HB2 MET A 37 4.988 15.508 4.647 1.00 0.89 H new ATOM 0 HB3 MET A 37 3.914 15.200 3.297 1.00 0.89 H new ATOM 0 HG2 MET A 37 2.278 16.329 5.318 1.00 1.33 H new ATOM 0 HG3 MET A 37 3.761 17.261 5.362 1.00 1.33 H new ATOM 0 HE1 MET A 37 0.357 18.649 3.334 1.00 3.58 H new ATOM 0 HE2 MET A 37 0.363 17.091 4.193 1.00 3.58 H new ATOM 0 HE3 MET A 37 1.022 18.544 4.981 1.00 3.58 H new ATOM 560 N ILE A 38 2.009 12.711 3.796 1.00 0.61 N ATOM 561 CA ILE A 38 0.756 12.208 3.167 1.00 0.56 C ATOM 562 C ILE A 38 0.088 11.197 4.122 1.00 0.65 C ATOM 563 O ILE A 38 -0.933 10.616 3.819 1.00 0.81 O ATOM 564 CB ILE A 38 1.140 11.536 1.831 1.00 0.58 C ATOM 565 CG1 ILE A 38 1.235 12.610 0.747 1.00 0.99 C ATOM 566 CG2 ILE A 38 0.088 10.508 1.413 1.00 0.94 C ATOM 567 CD1 ILE A 38 2.232 13.683 1.186 1.00 0.57 C ATOM 0 H ILE A 38 2.838 12.147 3.611 1.00 0.61 H new ATOM 0 HA ILE A 38 0.050 13.017 2.978 1.00 0.56 H new ATOM 0 HB ILE A 38 2.096 11.027 1.959 1.00 0.58 H new ATOM 0 HG12 ILE A 38 1.554 12.165 -0.195 1.00 0.99 H new ATOM 0 HG13 ILE A 38 0.256 13.056 0.574 1.00 0.99 H new ATOM 0 HG21 ILE A 38 0.382 10.049 0.469 1.00 0.94 H new ATOM 0 HG22 ILE A 38 0.006 9.738 2.181 1.00 0.94 H new ATOM 0 HG23 ILE A 38 -0.876 11.003 1.291 1.00 0.94 H new ATOM 0 HD11 ILE A 38 2.303 14.451 0.416 1.00 0.57 H new ATOM 0 HD12 ILE A 38 1.893 14.135 2.119 1.00 0.57 H new ATOM 0 HD13 ILE A 38 3.212 13.229 1.337 1.00 0.57 H new ATOM 579 N LYS A 39 0.678 11.050 5.283 1.00 0.68 N ATOM 580 CA LYS A 39 0.133 10.082 6.282 1.00 0.91 C ATOM 581 C LYS A 39 -1.340 10.394 6.674 1.00 0.91 C ATOM 582 O LYS A 39 -2.157 9.500 6.698 1.00 0.88 O ATOM 583 CB LYS A 39 1.052 10.070 7.529 1.00 1.25 C ATOM 584 CG LYS A 39 0.227 9.964 8.820 1.00 2.95 C ATOM 585 CD LYS A 39 1.174 9.760 10.004 1.00 3.11 C ATOM 586 CE LYS A 39 0.460 10.186 11.289 1.00 5.01 C ATOM 587 NZ LYS A 39 1.337 9.964 12.470 1.00 5.29 N ATOM 0 H LYS A 39 1.511 11.558 5.581 1.00 0.68 H new ATOM 0 HA LYS A 39 0.120 9.093 5.825 1.00 0.91 H new ATOM 0 HB2 LYS A 39 1.745 9.231 7.466 1.00 1.25 H new ATOM 0 HB3 LYS A 39 1.653 10.979 7.551 1.00 1.25 H new ATOM 0 HG2 LYS A 39 -0.365 10.868 8.963 1.00 2.95 H new ATOM 0 HG3 LYS A 39 -0.474 9.132 8.751 1.00 2.95 H new ATOM 0 HD2 LYS A 39 1.476 8.715 10.069 1.00 3.11 H new ATOM 0 HD3 LYS A 39 2.082 10.346 9.865 1.00 3.11 H new ATOM 0 HE2 LYS A 39 0.183 11.238 11.227 1.00 5.01 H new ATOM 0 HE3 LYS A 39 -0.464 9.620 11.403 1.00 5.01 H new ATOM 0 HZ1 LYS A 39 0.838 10.258 13.333 1.00 5.29 H new ATOM 0 HZ2 LYS A 39 1.580 8.955 12.537 1.00 5.29 H new ATOM 0 HZ3 LYS A 39 2.208 10.523 12.366 1.00 5.29 H new ATOM 601 N PRO A 40 -1.665 11.652 6.973 1.00 1.05 N ATOM 602 CA PRO A 40 -3.038 11.993 7.377 1.00 1.16 C ATOM 603 C PRO A 40 -4.043 11.644 6.273 1.00 0.93 C ATOM 604 O PRO A 40 -5.238 11.749 6.466 1.00 0.98 O ATOM 605 CB PRO A 40 -3.025 13.502 7.636 1.00 1.43 C ATOM 606 CG PRO A 40 -1.561 13.995 7.437 1.00 1.51 C ATOM 607 CD PRO A 40 -0.738 12.804 6.914 1.00 1.21 C ATOM 0 HA PRO A 40 -3.344 11.431 8.259 1.00 1.16 H new ATOM 0 HB2 PRO A 40 -3.699 14.015 6.951 1.00 1.43 H new ATOM 0 HB3 PRO A 40 -3.370 13.721 8.646 1.00 1.43 H new ATOM 0 HG2 PRO A 40 -1.528 14.824 6.729 1.00 1.51 H new ATOM 0 HG3 PRO A 40 -1.149 14.362 8.377 1.00 1.51 H new ATOM 0 HD2 PRO A 40 -0.389 12.980 5.896 1.00 1.21 H new ATOM 0 HD3 PRO A 40 0.146 12.633 7.529 1.00 1.21 H new ATOM 615 N PHE A 41 -3.533 11.229 5.141 1.00 0.71 N ATOM 616 CA PHE A 41 -4.443 10.871 4.008 1.00 0.58 C ATOM 617 C PHE A 41 -4.522 9.345 3.834 1.00 0.33 C ATOM 618 O PHE A 41 -5.597 8.780 3.815 1.00 0.31 O ATOM 619 CB PHE A 41 -3.905 11.505 2.729 1.00 0.61 C ATOM 620 CG PHE A 41 -4.156 13.014 2.768 1.00 0.90 C ATOM 621 CD1 PHE A 41 -3.268 13.857 3.416 1.00 1.03 C ATOM 622 CD2 PHE A 41 -5.273 13.558 2.158 1.00 1.08 C ATOM 623 CE1 PHE A 41 -3.495 15.217 3.451 1.00 1.29 C ATOM 624 CE2 PHE A 41 -5.497 14.920 2.195 1.00 1.33 C ATOM 625 CZ PHE A 41 -4.609 15.748 2.841 1.00 1.42 C ATOM 0 H PHE A 41 -2.536 11.123 4.952 1.00 0.71 H new ATOM 0 HA PHE A 41 -5.445 11.243 4.222 1.00 0.58 H new ATOM 0 HB2 PHE A 41 -2.838 11.305 2.631 1.00 0.61 H new ATOM 0 HB3 PHE A 41 -4.393 11.066 1.859 1.00 0.61 H new ATOM 0 HD1 PHE A 41 -2.392 13.447 3.897 1.00 1.03 H new ATOM 0 HD2 PHE A 41 -5.974 12.913 1.650 1.00 1.08 H new ATOM 0 HE1 PHE A 41 -2.797 15.867 3.958 1.00 1.29 H new ATOM 0 HE2 PHE A 41 -6.371 15.336 1.716 1.00 1.33 H new ATOM 0 HZ PHE A 41 -4.785 16.813 2.870 1.00 1.42 H new ATOM 635 N PHE A 42 -3.383 8.709 3.709 1.00 0.22 N ATOM 636 CA PHE A 42 -3.388 7.221 3.527 1.00 0.09 C ATOM 637 C PHE A 42 -3.562 6.511 4.871 1.00 0.19 C ATOM 638 O PHE A 42 -4.103 5.425 4.937 1.00 0.21 O ATOM 639 CB PHE A 42 -2.060 6.778 2.903 1.00 0.23 C ATOM 640 CG PHE A 42 -2.114 5.267 2.627 1.00 0.24 C ATOM 641 CD1 PHE A 42 -2.927 4.771 1.622 1.00 0.25 C ATOM 642 CD2 PHE A 42 -1.353 4.377 3.377 1.00 0.26 C ATOM 643 CE1 PHE A 42 -2.981 3.415 1.372 1.00 0.30 C ATOM 644 CE2 PHE A 42 -1.414 3.022 3.122 1.00 0.29 C ATOM 645 CZ PHE A 42 -2.227 2.542 2.122 1.00 0.31 C ATOM 0 H PHE A 42 -2.462 9.146 3.724 1.00 0.22 H new ATOM 0 HA PHE A 42 -4.220 6.957 2.874 1.00 0.09 H new ATOM 0 HB2 PHE A 42 -1.879 7.323 1.977 1.00 0.23 H new ATOM 0 HB3 PHE A 42 -1.233 7.008 3.575 1.00 0.23 H new ATOM 0 HD1 PHE A 42 -3.523 5.450 1.030 1.00 0.25 H new ATOM 0 HD2 PHE A 42 -0.711 4.748 4.163 1.00 0.26 H new ATOM 0 HE1 PHE A 42 -3.617 3.038 0.585 1.00 0.30 H new ATOM 0 HE2 PHE A 42 -0.821 2.336 3.710 1.00 0.29 H new ATOM 0 HZ PHE A 42 -2.274 1.481 1.926 1.00 0.31 H new ATOM 655 N HIS A 43 -3.102 7.138 5.912 1.00 0.33 N ATOM 656 CA HIS A 43 -3.214 6.502 7.255 1.00 0.40 C ATOM 657 C HIS A 43 -4.599 6.788 7.851 1.00 0.37 C ATOM 658 O HIS A 43 -4.991 6.192 8.834 1.00 0.44 O ATOM 659 CB HIS A 43 -2.142 7.095 8.161 1.00 0.54 C ATOM 660 CG HIS A 43 -1.911 6.182 9.363 1.00 0.58 C ATOM 661 ND1 HIS A 43 -2.727 5.335 9.791 1.00 0.59 N ATOM 662 CD2 HIS A 43 -0.806 6.081 10.189 1.00 0.59 C ATOM 663 CE1 HIS A 43 -2.260 4.711 10.794 1.00 0.61 C ATOM 664 NE2 HIS A 43 -1.036 5.123 11.123 1.00 0.62 N ATOM 0 H HIS A 43 -2.656 8.055 5.896 1.00 0.33 H new ATOM 0 HA HIS A 43 -3.081 5.424 7.167 1.00 0.40 H new ATOM 0 HB2 HIS A 43 -1.213 7.220 7.605 1.00 0.54 H new ATOM 0 HB3 HIS A 43 -2.447 8.085 8.499 1.00 0.54 H new ATOM 0 HD1 HIS A 43 -3.648 5.167 9.387 1.00 0.59 H new ATOM 0 HD2 HIS A 43 0.095 6.670 10.104 1.00 0.59 H new ATOM 0 HE1 HIS A 43 -2.794 3.934 11.321 1.00 0.61 H new ATOM 672 N SER A 44 -5.309 7.698 7.239 1.00 0.33 N ATOM 673 CA SER A 44 -6.667 8.041 7.757 1.00 0.38 C ATOM 674 C SER A 44 -7.708 7.054 7.227 1.00 0.26 C ATOM 675 O SER A 44 -8.759 6.881 7.811 1.00 0.25 O ATOM 676 CB SER A 44 -7.031 9.458 7.312 1.00 0.51 C ATOM 677 OG SER A 44 -6.514 10.288 8.341 1.00 0.96 O ATOM 0 H SER A 44 -5.012 8.215 6.411 1.00 0.33 H new ATOM 0 HA SER A 44 -6.657 7.984 8.845 1.00 0.38 H new ATOM 0 HB2 SER A 44 -6.588 9.698 6.346 1.00 0.51 H new ATOM 0 HB3 SER A 44 -8.109 9.578 7.207 1.00 0.51 H new ATOM 0 HG SER A 44 -5.951 10.987 7.946 1.00 0.96 H new ATOM 683 N LEU A 45 -7.393 6.425 6.133 1.00 0.25 N ATOM 684 CA LEU A 45 -8.353 5.440 5.554 1.00 0.17 C ATOM 685 C LEU A 45 -8.496 4.247 6.500 1.00 0.04 C ATOM 686 O LEU A 45 -9.350 3.402 6.320 1.00 0.08 O ATOM 687 CB LEU A 45 -7.831 4.963 4.199 1.00 0.16 C ATOM 688 CG LEU A 45 -7.335 6.171 3.402 1.00 0.24 C ATOM 689 CD1 LEU A 45 -6.966 5.730 1.985 1.00 0.33 C ATOM 690 CD2 LEU A 45 -8.452 7.215 3.328 1.00 0.17 C ATOM 0 H LEU A 45 -6.522 6.546 5.616 1.00 0.25 H new ATOM 0 HA LEU A 45 -9.327 5.912 5.423 1.00 0.17 H new ATOM 0 HB2 LEU A 45 -7.022 4.246 4.339 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -8.621 4.449 3.651 1.00 0.16 H new ATOM 0 HG LEU A 45 -6.459 6.598 3.891 1.00 0.24 H new ATOM 0 HD11 LEU A 45 -6.613 6.590 1.417 1.00 0.33 H new ATOM 0 HD12 LEU A 45 -6.179 4.978 2.032 1.00 0.33 H new ATOM 0 HD13 LEU A 45 -7.843 5.307 1.495 1.00 0.33 H new ATOM 0 HD21 LEU A 45 -8.105 8.079 2.761 1.00 0.17 H new ATOM 0 HD22 LEU A 45 -9.322 6.782 2.834 1.00 0.17 H new ATOM 0 HD23 LEU A 45 -8.725 7.528 4.336 1.00 0.17 H new ATOM 702 N SER A 46 -7.650 4.210 7.491 1.00 0.16 N ATOM 703 CA SER A 46 -7.709 3.089 8.469 1.00 0.26 C ATOM 704 C SER A 46 -9.096 3.024 9.119 1.00 0.22 C ATOM 705 O SER A 46 -9.757 2.006 9.078 1.00 0.35 O ATOM 706 CB SER A 46 -6.655 3.323 9.548 1.00 0.45 C ATOM 707 OG SER A 46 -6.340 2.021 10.012 1.00 0.38 O ATOM 0 H SER A 46 -6.923 4.904 7.666 1.00 0.16 H new ATOM 0 HA SER A 46 -7.519 2.148 7.953 1.00 0.26 H new ATOM 0 HB2 SER A 46 -5.776 3.826 9.144 1.00 0.45 H new ATOM 0 HB3 SER A 46 -7.040 3.950 10.352 1.00 0.45 H new ATOM 0 HG SER A 46 -7.147 1.598 10.373 1.00 0.38 H new ATOM 713 N GLU A 47 -9.505 4.117 9.706 1.00 0.42 N ATOM 714 CA GLU A 47 -10.843 4.140 10.369 1.00 0.39 C ATOM 715 C GLU A 47 -11.946 4.406 9.339 1.00 0.37 C ATOM 716 O GLU A 47 -12.972 3.754 9.341 1.00 0.28 O ATOM 717 CB GLU A 47 -10.860 5.246 11.423 1.00 0.42 C ATOM 718 CG GLU A 47 -9.769 4.973 12.459 1.00 0.43 C ATOM 719 CD GLU A 47 -10.417 4.486 13.757 1.00 0.84 C ATOM 720 OE1 GLU A 47 -10.795 5.350 14.531 1.00 1.33 O ATOM 721 OE2 GLU A 47 -10.498 3.277 13.902 1.00 1.98 O ATOM 0 H GLU A 47 -8.977 4.988 9.756 1.00 0.42 H new ATOM 0 HA GLU A 47 -11.024 3.172 10.837 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -10.696 6.215 10.952 1.00 0.42 H new ATOM 0 HB3 GLU A 47 -11.836 5.288 11.907 1.00 0.42 H new ATOM 0 HG2 GLU A 47 -9.073 4.223 12.083 1.00 0.43 H new ATOM 0 HG3 GLU A 47 -9.192 5.879 12.644 1.00 0.43 H new ATOM 728 N LYS A 48 -11.710 5.359 8.481 1.00 0.49 N ATOM 729 CA LYS A 48 -12.741 5.687 7.451 1.00 0.49 C ATOM 730 C LYS A 48 -13.120 4.436 6.654 1.00 0.47 C ATOM 731 O LYS A 48 -14.242 3.973 6.718 1.00 0.42 O ATOM 732 CB LYS A 48 -12.184 6.743 6.505 1.00 0.57 C ATOM 733 CG LYS A 48 -13.250 7.820 6.287 1.00 0.90 C ATOM 734 CD LYS A 48 -13.370 8.682 7.550 1.00 1.87 C ATOM 735 CE LYS A 48 -12.813 10.078 7.261 1.00 2.83 C ATOM 736 NZ LYS A 48 -12.678 10.855 8.525 1.00 4.20 N ATOM 0 H LYS A 48 -10.859 5.920 8.446 1.00 0.49 H new ATOM 0 HA LYS A 48 -13.633 6.066 7.950 1.00 0.49 H new ATOM 0 HB2 LYS A 48 -11.280 7.186 6.923 1.00 0.57 H new ATOM 0 HB3 LYS A 48 -11.906 6.289 5.554 1.00 0.57 H new ATOM 0 HG2 LYS A 48 -12.984 8.442 5.433 1.00 0.90 H new ATOM 0 HG3 LYS A 48 -14.209 7.356 6.057 1.00 0.90 H new ATOM 0 HD2 LYS A 48 -14.413 8.750 7.860 1.00 1.87 H new ATOM 0 HD3 LYS A 48 -12.822 8.222 8.372 1.00 1.87 H new ATOM 0 HE2 LYS A 48 -11.842 9.995 6.772 1.00 2.83 H new ATOM 0 HE3 LYS A 48 -13.473 10.604 6.572 1.00 2.83 H new ATOM 0 HZ1 LYS A 48 -12.299 11.800 8.313 1.00 4.20 H new ATOM 0 HZ2 LYS A 48 -13.610 10.949 8.976 1.00 4.20 H new ATOM 0 HZ3 LYS A 48 -12.030 10.359 9.170 1.00 4.20 H new ATOM 750 N TYR A 49 -12.177 3.916 5.920 1.00 0.51 N ATOM 751 CA TYR A 49 -12.469 2.697 5.109 1.00 0.50 C ATOM 752 C TYR A 49 -12.136 1.435 5.910 1.00 0.46 C ATOM 753 O TYR A 49 -11.051 0.898 5.805 1.00 0.35 O ATOM 754 CB TYR A 49 -11.623 2.729 3.837 1.00 0.56 C ATOM 755 CG TYR A 49 -12.358 3.527 2.759 1.00 0.45 C ATOM 756 CD1 TYR A 49 -13.276 2.910 1.934 1.00 0.37 C ATOM 757 CD2 TYR A 49 -12.112 4.875 2.595 1.00 0.54 C ATOM 758 CE1 TYR A 49 -13.939 3.631 0.962 1.00 0.27 C ATOM 759 CE2 TYR A 49 -12.774 5.595 1.622 1.00 0.50 C ATOM 760 CZ TYR A 49 -13.693 4.978 0.798 1.00 0.31 C ATOM 761 OH TYR A 49 -14.356 5.699 -0.175 1.00 0.29 O ATOM 0 H TYR A 49 -11.226 4.276 5.845 1.00 0.51 H new ATOM 0 HA TYR A 49 -13.528 2.682 4.853 1.00 0.50 H new ATOM 0 HB2 TYR A 49 -10.653 3.182 4.043 1.00 0.56 H new ATOM 0 HB3 TYR A 49 -11.433 1.714 3.488 1.00 0.56 H new ATOM 0 HD1 TYR A 49 -13.477 1.855 2.050 1.00 0.37 H new ATOM 0 HD2 TYR A 49 -11.395 5.370 3.233 1.00 0.54 H new ATOM 0 HE1 TYR A 49 -14.657 3.136 0.324 1.00 0.27 H new ATOM 0 HE2 TYR A 49 -12.571 6.649 1.504 1.00 0.50 H new ATOM 0 HH TYR A 49 -13.727 6.305 -0.619 1.00 0.29 H new ATOM 771 N SER A 50 -13.077 0.988 6.696 1.00 0.59 N ATOM 772 CA SER A 50 -12.830 -0.242 7.503 1.00 0.56 C ATOM 773 C SER A 50 -13.167 -1.487 6.677 1.00 0.51 C ATOM 774 O SER A 50 -12.965 -2.602 7.118 1.00 0.45 O ATOM 775 CB SER A 50 -13.706 -0.205 8.756 1.00 0.69 C ATOM 776 OG SER A 50 -15.030 -0.325 8.257 1.00 0.71 O ATOM 0 H SER A 50 -13.996 1.415 6.814 1.00 0.59 H new ATOM 0 HA SER A 50 -11.779 -0.281 7.789 1.00 0.56 H new ATOM 0 HB2 SER A 50 -13.462 -1.020 9.437 1.00 0.69 H new ATOM 0 HB3 SER A 50 -13.571 0.724 9.309 1.00 0.69 H new ATOM 0 HG SER A 50 -15.664 -0.312 9.004 1.00 0.71 H new ATOM 782 N ASN A 51 -13.674 -1.269 5.494 1.00 0.55 N ATOM 783 CA ASN A 51 -14.031 -2.427 4.620 1.00 0.55 C ATOM 784 C ASN A 51 -12.896 -2.709 3.630 1.00 0.47 C ATOM 785 O ASN A 51 -13.082 -3.404 2.650 1.00 0.57 O ATOM 786 CB ASN A 51 -15.308 -2.096 3.851 1.00 0.66 C ATOM 787 CG ASN A 51 -15.863 -3.374 3.218 1.00 0.70 C ATOM 788 OD1 ASN A 51 -16.138 -4.346 3.893 1.00 1.31 O ATOM 789 ND2 ASN A 51 -16.042 -3.414 1.926 1.00 1.18 N ATOM 0 H ASN A 51 -13.856 -0.348 5.096 1.00 0.55 H new ATOM 0 HA ASN A 51 -14.188 -3.311 5.238 1.00 0.55 H new ATOM 0 HB2 ASN A 51 -16.047 -1.658 4.522 1.00 0.66 H new ATOM 0 HB3 ASN A 51 -15.100 -1.355 3.079 1.00 0.66 H new ATOM 0 HD21 ASN A 51 -16.411 -4.258 1.488 1.00 1.18 H new ATOM 0 HD22 ASN A 51 -15.813 -2.601 1.354 1.00 1.18 H new ATOM 796 N VAL A 52 -11.744 -2.161 3.910 1.00 0.45 N ATOM 797 CA VAL A 52 -10.580 -2.383 3.003 1.00 0.38 C ATOM 798 C VAL A 52 -9.302 -2.558 3.829 1.00 0.35 C ATOM 799 O VAL A 52 -9.183 -2.011 4.908 1.00 0.37 O ATOM 800 CB VAL A 52 -10.425 -1.178 2.074 1.00 0.31 C ATOM 801 CG1 VAL A 52 -9.227 -1.412 1.147 1.00 0.41 C ATOM 802 CG2 VAL A 52 -11.696 -1.025 1.232 1.00 0.21 C ATOM 0 H VAL A 52 -11.559 -1.573 4.722 1.00 0.45 H new ATOM 0 HA VAL A 52 -10.750 -3.283 2.412 1.00 0.38 H new ATOM 0 HB VAL A 52 -10.265 -0.274 2.662 1.00 0.31 H new ATOM 0 HG11 VAL A 52 -9.110 -0.557 0.481 1.00 0.41 H new ATOM 0 HG12 VAL A 52 -8.323 -1.534 1.744 1.00 0.41 H new ATOM 0 HG13 VAL A 52 -9.395 -2.312 0.556 1.00 0.41 H new ATOM 0 HG21 VAL A 52 -11.591 -0.167 0.568 1.00 0.21 H new ATOM 0 HG22 VAL A 52 -11.850 -1.927 0.639 1.00 0.21 H new ATOM 0 HG23 VAL A 52 -12.552 -0.872 1.890 1.00 0.21 H new ATOM 812 N ILE A 53 -8.375 -3.315 3.306 1.00 0.32 N ATOM 813 CA ILE A 53 -7.102 -3.535 4.053 1.00 0.30 C ATOM 814 C ILE A 53 -6.015 -2.599 3.531 1.00 0.29 C ATOM 815 O ILE A 53 -5.908 -2.366 2.339 1.00 0.29 O ATOM 816 CB ILE A 53 -6.665 -4.984 3.877 1.00 0.27 C ATOM 817 CG1 ILE A 53 -7.639 -5.888 4.634 1.00 0.48 C ATOM 818 CG2 ILE A 53 -5.260 -5.160 4.449 1.00 0.27 C ATOM 819 CD1 ILE A 53 -7.715 -7.237 3.927 1.00 0.98 C ATOM 0 H ILE A 53 -8.442 -3.786 2.404 1.00 0.32 H new ATOM 0 HA ILE A 53 -7.263 -3.325 5.110 1.00 0.30 H new ATOM 0 HB ILE A 53 -6.661 -5.247 2.819 1.00 0.27 H new ATOM 0 HG12 ILE A 53 -7.307 -6.021 5.664 1.00 0.48 H new ATOM 0 HG13 ILE A 53 -8.626 -5.428 4.674 1.00 0.48 H new ATOM 0 HG21 ILE A 53 -4.944 -6.196 4.325 1.00 0.27 H new ATOM 0 HG22 ILE A 53 -4.568 -4.504 3.922 1.00 0.27 H new ATOM 0 HG23 ILE A 53 -5.264 -4.907 5.509 1.00 0.27 H new ATOM 0 HD11 ILE A 53 -8.407 -7.889 4.460 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -8.066 -7.093 2.905 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -6.726 -7.695 3.910 1.00 0.98 H new ATOM 831 N PHE A 54 -5.223 -2.091 4.441 1.00 0.29 N ATOM 832 CA PHE A 54 -4.139 -1.147 4.042 1.00 0.29 C ATOM 833 C PHE A 54 -2.787 -1.613 4.587 1.00 0.27 C ATOM 834 O PHE A 54 -2.671 -1.959 5.746 1.00 0.31 O ATOM 835 CB PHE A 54 -4.463 0.224 4.626 1.00 0.32 C ATOM 836 CG PHE A 54 -5.730 0.770 3.965 1.00 0.33 C ATOM 837 CD1 PHE A 54 -5.654 1.497 2.788 1.00 0.43 C ATOM 838 CD2 PHE A 54 -6.971 0.542 4.535 1.00 0.25 C ATOM 839 CE1 PHE A 54 -6.801 1.986 2.193 1.00 0.45 C ATOM 840 CE2 PHE A 54 -8.115 1.032 3.938 1.00 0.29 C ATOM 841 CZ PHE A 54 -8.029 1.754 2.769 1.00 0.39 C ATOM 0 H PHE A 54 -5.281 -2.289 5.440 1.00 0.29 H new ATOM 0 HA PHE A 54 -4.079 -1.106 2.954 1.00 0.29 H new ATOM 0 HB2 PHE A 54 -4.605 0.148 5.704 1.00 0.32 H new ATOM 0 HB3 PHE A 54 -3.630 0.908 4.462 1.00 0.32 H new ATOM 0 HD1 PHE A 54 -4.692 1.683 2.333 1.00 0.43 H new ATOM 0 HD2 PHE A 54 -7.044 -0.023 5.453 1.00 0.25 H new ATOM 0 HE1 PHE A 54 -6.734 2.551 1.275 1.00 0.45 H new ATOM 0 HE2 PHE A 54 -9.079 0.849 4.389 1.00 0.29 H new ATOM 0 HZ PHE A 54 -8.925 2.138 2.304 1.00 0.39 H new ATOM 851 N LEU A 55 -1.795 -1.610 3.732 1.00 0.21 N ATOM 852 CA LEU A 55 -0.428 -2.023 4.176 1.00 0.19 C ATOM 853 C LEU A 55 0.562 -0.895 3.877 1.00 0.12 C ATOM 854 O LEU A 55 0.339 -0.083 2.999 1.00 0.20 O ATOM 855 CB LEU A 55 0.011 -3.292 3.434 1.00 0.21 C ATOM 856 CG LEU A 55 -1.211 -4.195 3.181 1.00 0.24 C ATOM 857 CD1 LEU A 55 -2.025 -3.665 1.999 1.00 0.43 C ATOM 858 CD2 LEU A 55 -0.733 -5.608 2.846 1.00 0.34 C ATOM 0 H LEU A 55 -1.871 -1.341 2.751 1.00 0.21 H new ATOM 0 HA LEU A 55 -0.449 -2.227 5.247 1.00 0.19 H new ATOM 0 HB2 LEU A 55 0.481 -3.027 2.487 1.00 0.21 H new ATOM 0 HB3 LEU A 55 0.756 -3.829 4.021 1.00 0.21 H new ATOM 0 HG LEU A 55 -1.832 -4.204 4.077 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.886 -4.312 1.831 1.00 0.43 H new ATOM 0 HD12 LEU A 55 -2.368 -2.654 2.218 1.00 0.43 H new ATOM 0 HD13 LEU A 55 -1.401 -3.651 1.105 1.00 0.43 H new ATOM 0 HD21 LEU A 55 -1.595 -6.251 2.666 1.00 0.34 H new ATOM 0 HD22 LEU A 55 -0.109 -5.579 1.952 1.00 0.34 H new ATOM 0 HD23 LEU A 55 -0.153 -6.003 3.680 1.00 0.34 H new ATOM 870 N GLU A 56 1.636 -0.879 4.612 1.00 0.19 N ATOM 871 CA GLU A 56 2.665 0.185 4.409 1.00 0.14 C ATOM 872 C GLU A 56 4.054 -0.456 4.345 1.00 0.13 C ATOM 873 O GLU A 56 4.573 -0.911 5.345 1.00 0.25 O ATOM 874 CB GLU A 56 2.607 1.163 5.580 1.00 0.22 C ATOM 875 CG GLU A 56 3.150 2.518 5.127 1.00 0.47 C ATOM 876 CD GLU A 56 3.328 3.426 6.346 1.00 0.68 C ATOM 877 OE1 GLU A 56 2.489 3.320 7.225 1.00 1.20 O ATOM 878 OE2 GLU A 56 4.292 4.172 6.328 1.00 1.35 O ATOM 0 H GLU A 56 1.849 -1.555 5.345 1.00 0.19 H new ATOM 0 HA GLU A 56 2.470 0.716 3.477 1.00 0.14 H new ATOM 0 HB2 GLU A 56 1.581 1.268 5.932 1.00 0.22 H new ATOM 0 HB3 GLU A 56 3.194 0.783 6.416 1.00 0.22 H new ATOM 0 HG2 GLU A 56 4.103 2.388 4.614 1.00 0.47 H new ATOM 0 HG3 GLU A 56 2.465 2.977 4.414 1.00 0.47 H new ATOM 885 N VAL A 57 4.629 -0.479 3.174 1.00 0.03 N ATOM 886 CA VAL A 57 5.980 -1.102 3.045 1.00 0.05 C ATOM 887 C VAL A 57 7.079 -0.054 3.224 1.00 0.08 C ATOM 888 O VAL A 57 7.073 0.975 2.574 1.00 0.18 O ATOM 889 CB VAL A 57 6.121 -1.738 1.666 1.00 0.03 C ATOM 890 CG1 VAL A 57 7.585 -2.136 1.452 1.00 0.13 C ATOM 891 CG2 VAL A 57 5.243 -2.985 1.584 1.00 0.16 C ATOM 0 H VAL A 57 4.232 -0.101 2.314 1.00 0.03 H new ATOM 0 HA VAL A 57 6.084 -1.861 3.821 1.00 0.05 H new ATOM 0 HB VAL A 57 5.810 -1.028 0.900 1.00 0.03 H new ATOM 0 HG11 VAL A 57 7.698 -2.592 0.469 1.00 0.13 H new ATOM 0 HG12 VAL A 57 8.216 -1.250 1.515 1.00 0.13 H new ATOM 0 HG13 VAL A 57 7.884 -2.850 2.220 1.00 0.13 H new ATOM 0 HG21 VAL A 57 5.345 -3.438 0.598 1.00 0.16 H new ATOM 0 HG22 VAL A 57 5.554 -3.700 2.346 1.00 0.16 H new ATOM 0 HG23 VAL A 57 4.202 -2.708 1.750 1.00 0.16 H new ATOM 901 N ASP A 58 8.000 -0.343 4.101 1.00 0.24 N ATOM 902 CA ASP A 58 9.119 0.610 4.331 1.00 0.29 C ATOM 903 C ASP A 58 10.306 0.231 3.441 1.00 0.35 C ATOM 904 O ASP A 58 10.942 -0.784 3.650 1.00 0.44 O ATOM 905 CB ASP A 58 9.536 0.546 5.801 1.00 0.36 C ATOM 906 CG ASP A 58 10.570 1.638 6.081 1.00 0.34 C ATOM 907 OD1 ASP A 58 10.697 2.497 5.223 1.00 0.76 O ATOM 908 OD2 ASP A 58 11.175 1.553 7.137 1.00 1.28 O ATOM 0 H ASP A 58 8.026 -1.193 4.665 1.00 0.24 H new ATOM 0 HA ASP A 58 8.797 1.622 4.086 1.00 0.29 H new ATOM 0 HB2 ASP A 58 8.666 0.679 6.444 1.00 0.36 H new ATOM 0 HB3 ASP A 58 9.954 -0.434 6.030 1.00 0.36 H new ATOM 913 N VAL A 59 10.579 1.055 2.467 1.00 0.32 N ATOM 914 CA VAL A 59 11.715 0.752 1.544 1.00 0.39 C ATOM 915 C VAL A 59 13.063 0.946 2.257 1.00 0.43 C ATOM 916 O VAL A 59 14.078 1.146 1.619 1.00 0.44 O ATOM 917 CB VAL A 59 11.639 1.687 0.339 1.00 0.37 C ATOM 918 CG1 VAL A 59 10.312 1.466 -0.392 1.00 0.37 C ATOM 919 CG2 VAL A 59 11.710 3.137 0.821 1.00 0.30 C ATOM 0 H VAL A 59 10.072 1.918 2.269 1.00 0.32 H new ATOM 0 HA VAL A 59 11.641 -0.287 1.222 1.00 0.39 H new ATOM 0 HB VAL A 59 12.469 1.481 -0.336 1.00 0.37 H new ATOM 0 HG11 VAL A 59 10.255 2.132 -1.253 1.00 0.37 H new ATOM 0 HG12 VAL A 59 10.250 0.431 -0.729 1.00 0.37 H new ATOM 0 HG13 VAL A 59 9.484 1.677 0.285 1.00 0.37 H new ATOM 0 HG21 VAL A 59 11.656 3.808 -0.036 1.00 0.30 H new ATOM 0 HG22 VAL A 59 10.876 3.338 1.493 1.00 0.30 H new ATOM 0 HG23 VAL A 59 12.649 3.299 1.350 1.00 0.30 H new ATOM 929 N ASP A 60 13.044 0.882 3.561 1.00 0.47 N ATOM 930 CA ASP A 60 14.317 1.053 4.321 1.00 0.52 C ATOM 931 C ASP A 60 14.917 -0.318 4.654 1.00 0.28 C ATOM 932 O ASP A 60 16.044 -0.605 4.302 1.00 0.27 O ATOM 933 CB ASP A 60 14.030 1.810 5.617 1.00 0.74 C ATOM 934 CG ASP A 60 15.343 2.035 6.370 1.00 0.94 C ATOM 935 OD1 ASP A 60 16.035 2.964 5.985 1.00 0.56 O ATOM 936 OD2 ASP A 60 15.580 1.268 7.288 1.00 1.73 O ATOM 0 H ASP A 60 12.212 0.721 4.129 1.00 0.47 H new ATOM 0 HA ASP A 60 15.027 1.614 3.713 1.00 0.52 H new ATOM 0 HB2 ASP A 60 13.555 2.766 5.396 1.00 0.74 H new ATOM 0 HB3 ASP A 60 13.334 1.244 6.236 1.00 0.74 H new ATOM 941 N ASP A 61 14.140 -1.133 5.325 1.00 0.36 N ATOM 942 CA ASP A 61 14.636 -2.497 5.699 1.00 0.47 C ATOM 943 C ASP A 61 13.895 -3.570 4.892 1.00 0.36 C ATOM 944 O ASP A 61 14.328 -4.703 4.819 1.00 0.57 O ATOM 945 CB ASP A 61 14.389 -2.724 7.190 1.00 0.84 C ATOM 946 CG ASP A 61 14.603 -4.204 7.519 1.00 0.98 C ATOM 947 OD1 ASP A 61 15.756 -4.602 7.493 1.00 2.25 O ATOM 948 OD2 ASP A 61 13.602 -4.852 7.776 1.00 0.90 O ATOM 0 H ASP A 61 13.191 -0.916 5.629 1.00 0.36 H new ATOM 0 HA ASP A 61 15.702 -2.565 5.481 1.00 0.47 H new ATOM 0 HB2 ASP A 61 15.066 -2.107 7.781 1.00 0.84 H new ATOM 0 HB3 ASP A 61 13.374 -2.424 7.452 1.00 0.84 H new ATOM 953 N CYS A 62 12.792 -3.189 4.304 1.00 0.33 N ATOM 954 CA CYS A 62 12.008 -4.176 3.501 1.00 0.35 C ATOM 955 C CYS A 62 12.339 -4.030 2.013 1.00 0.36 C ATOM 956 O CYS A 62 11.494 -4.234 1.164 1.00 0.38 O ATOM 957 CB CYS A 62 10.518 -3.922 3.714 1.00 0.37 C ATOM 958 SG CYS A 62 9.971 -3.533 5.395 1.00 0.43 S ATOM 0 H CYS A 62 12.402 -2.247 4.343 1.00 0.33 H new ATOM 0 HA CYS A 62 12.266 -5.185 3.824 1.00 0.35 H new ATOM 0 HB2 CYS A 62 10.220 -3.099 3.064 1.00 0.37 H new ATOM 0 HB3 CYS A 62 9.974 -4.805 3.379 1.00 0.37 H new ATOM 0 HG CYS A 62 8.685 -3.344 5.400 1.00 0.43 H new ATOM 964 N GLN A 63 13.563 -3.682 1.729 1.00 0.36 N ATOM 965 CA GLN A 63 13.963 -3.517 0.306 1.00 0.39 C ATOM 966 C GLN A 63 13.705 -4.808 -0.474 1.00 0.46 C ATOM 967 O GLN A 63 13.662 -4.806 -1.688 1.00 0.49 O ATOM 968 CB GLN A 63 15.449 -3.171 0.240 1.00 0.39 C ATOM 969 CG GLN A 63 15.616 -1.655 0.345 1.00 0.76 C ATOM 970 CD GLN A 63 15.274 -1.015 -1.003 1.00 2.63 C ATOM 971 OE1 GLN A 63 14.436 -0.141 -1.093 1.00 3.96 O ATOM 972 NE2 GLN A 63 15.901 -1.423 -2.073 1.00 3.24 N ATOM 0 H GLN A 63 14.297 -3.506 2.415 1.00 0.36 H new ATOM 0 HA GLN A 63 13.373 -2.715 -0.139 1.00 0.39 H new ATOM 0 HB2 GLN A 63 15.986 -3.665 1.049 1.00 0.39 H new ATOM 0 HB3 GLN A 63 15.878 -3.533 -0.695 1.00 0.39 H new ATOM 0 HG2 GLN A 63 14.965 -1.259 1.124 1.00 0.76 H new ATOM 0 HG3 GLN A 63 16.639 -1.409 0.629 1.00 0.76 H new ATOM 0 HE21 GLN A 63 16.606 -2.157 -2.002 1.00 3.24 H new ATOM 0 HE22 GLN A 63 15.686 -1.008 -2.980 1.00 3.24 H new ATOM 981 N ASP A 64 13.535 -5.882 0.241 1.00 0.49 N ATOM 982 CA ASP A 64 13.281 -7.179 -0.438 1.00 0.55 C ATOM 983 C ASP A 64 11.935 -7.140 -1.156 1.00 0.50 C ATOM 984 O ASP A 64 11.774 -7.702 -2.222 1.00 0.69 O ATOM 985 CB ASP A 64 13.278 -8.297 0.602 1.00 0.60 C ATOM 986 CG ASP A 64 12.674 -7.772 1.906 1.00 0.59 C ATOM 987 OD1 ASP A 64 11.715 -7.027 1.797 1.00 1.11 O ATOM 988 OD2 ASP A 64 13.207 -8.147 2.939 1.00 1.82 O ATOM 0 H ASP A 64 13.561 -5.918 1.260 1.00 0.49 H new ATOM 0 HA ASP A 64 14.065 -7.362 -1.172 1.00 0.55 H new ATOM 0 HB2 ASP A 64 12.702 -9.147 0.237 1.00 0.60 H new ATOM 0 HB3 ASP A 64 14.294 -8.651 0.775 1.00 0.60 H new ATOM 993 N VAL A 65 11.001 -6.475 -0.552 1.00 0.29 N ATOM 994 CA VAL A 65 9.655 -6.372 -1.166 1.00 0.24 C ATOM 995 C VAL A 65 9.626 -5.237 -2.188 1.00 0.28 C ATOM 996 O VAL A 65 8.932 -5.307 -3.183 1.00 0.31 O ATOM 997 CB VAL A 65 8.636 -6.101 -0.077 1.00 0.20 C ATOM 998 CG1 VAL A 65 7.230 -6.358 -0.626 1.00 0.13 C ATOM 999 CG2 VAL A 65 8.899 -7.037 1.103 1.00 0.21 C ATOM 0 H VAL A 65 11.110 -5.997 0.342 1.00 0.29 H new ATOM 0 HA VAL A 65 9.418 -7.307 -1.674 1.00 0.24 H new ATOM 0 HB VAL A 65 8.716 -5.065 0.253 1.00 0.20 H new ATOM 0 HG11 VAL A 65 6.494 -6.164 0.154 1.00 0.13 H new ATOM 0 HG12 VAL A 65 7.044 -5.698 -1.473 1.00 0.13 H new ATOM 0 HG13 VAL A 65 7.150 -7.395 -0.951 1.00 0.13 H new ATOM 0 HG21 VAL A 65 8.168 -6.846 1.889 1.00 0.21 H new ATOM 0 HG22 VAL A 65 8.814 -8.072 0.772 1.00 0.21 H new ATOM 0 HG23 VAL A 65 9.903 -6.861 1.490 1.00 0.21 H new ATOM 1009 N ALA A 66 10.377 -4.217 -1.915 1.00 0.33 N ATOM 1010 CA ALA A 66 10.419 -3.065 -2.852 1.00 0.39 C ATOM 1011 C ALA A 66 11.188 -3.445 -4.113 1.00 0.51 C ATOM 1012 O ALA A 66 10.839 -3.050 -5.206 1.00 0.67 O ATOM 1013 CB ALA A 66 11.105 -1.885 -2.166 1.00 0.42 C ATOM 0 H ALA A 66 10.964 -4.128 -1.086 1.00 0.33 H new ATOM 0 HA ALA A 66 9.402 -2.788 -3.130 1.00 0.39 H new ATOM 0 HB1 ALA A 66 11.139 -1.036 -2.849 1.00 0.42 H new ATOM 0 HB2 ALA A 66 10.546 -1.609 -1.272 1.00 0.42 H new ATOM 0 HB3 ALA A 66 12.120 -2.167 -1.887 1.00 0.42 H new ATOM 1019 N SER A 67 12.222 -4.206 -3.929 1.00 0.50 N ATOM 1020 CA SER A 67 13.031 -4.637 -5.096 1.00 0.59 C ATOM 1021 C SER A 67 12.277 -5.706 -5.887 1.00 0.60 C ATOM 1022 O SER A 67 12.662 -6.062 -6.983 1.00 0.72 O ATOM 1023 CB SER A 67 14.362 -5.205 -4.602 1.00 0.64 C ATOM 1024 OG SER A 67 15.013 -4.093 -4.007 1.00 1.87 O ATOM 0 H SER A 67 12.543 -4.549 -3.023 1.00 0.50 H new ATOM 0 HA SER A 67 13.215 -3.781 -5.745 1.00 0.59 H new ATOM 0 HB2 SER A 67 14.210 -6.010 -3.883 1.00 0.64 H new ATOM 0 HB3 SER A 67 14.948 -5.618 -5.423 1.00 0.64 H new ATOM 0 HG SER A 67 14.743 -4.020 -3.068 1.00 1.87 H new ATOM 1030 N GLU A 68 11.217 -6.196 -5.309 1.00 0.49 N ATOM 1031 CA GLU A 68 10.420 -7.233 -5.996 1.00 0.52 C ATOM 1032 C GLU A 68 9.484 -6.568 -7.001 1.00 0.55 C ATOM 1033 O GLU A 68 9.213 -7.103 -8.059 1.00 0.63 O ATOM 1034 CB GLU A 68 9.615 -8.008 -4.946 1.00 0.47 C ATOM 1035 CG GLU A 68 8.727 -9.053 -5.629 1.00 0.15 C ATOM 1036 CD GLU A 68 9.595 -10.014 -6.445 1.00 1.57 C ATOM 1037 OE1 GLU A 68 10.427 -10.652 -5.822 1.00 2.40 O ATOM 1038 OE2 GLU A 68 9.374 -10.055 -7.644 1.00 2.53 O ATOM 0 H GLU A 68 10.873 -5.919 -4.390 1.00 0.49 H new ATOM 0 HA GLU A 68 11.073 -7.922 -6.531 1.00 0.52 H new ATOM 0 HB2 GLU A 68 10.292 -8.497 -4.245 1.00 0.47 H new ATOM 0 HB3 GLU A 68 9.000 -7.319 -4.367 1.00 0.47 H new ATOM 0 HG2 GLU A 68 8.159 -9.606 -4.881 1.00 0.15 H new ATOM 0 HG3 GLU A 68 8.003 -8.561 -6.279 1.00 0.15 H new ATOM 1045 N CYS A 69 9.014 -5.414 -6.642 1.00 0.49 N ATOM 1046 CA CYS A 69 8.102 -4.673 -7.556 1.00 0.52 C ATOM 1047 C CYS A 69 8.931 -3.830 -8.528 1.00 0.57 C ATOM 1048 O CYS A 69 8.398 -3.139 -9.374 1.00 0.60 O ATOM 1049 CB CYS A 69 7.197 -3.763 -6.728 1.00 0.48 C ATOM 1050 SG CYS A 69 5.865 -4.551 -5.788 1.00 0.44 S ATOM 0 H CYS A 69 9.219 -4.949 -5.758 1.00 0.49 H new ATOM 0 HA CYS A 69 7.492 -5.377 -8.122 1.00 0.52 H new ATOM 0 HB2 CYS A 69 7.824 -3.211 -6.027 1.00 0.48 H new ATOM 0 HB3 CYS A 69 6.749 -3.031 -7.400 1.00 0.48 H new ATOM 0 HG CYS A 69 4.718 -4.232 -6.310 1.00 0.44 H new ATOM 1056 N GLU A 70 10.225 -3.910 -8.376 1.00 0.59 N ATOM 1057 CA GLU A 70 11.128 -3.135 -9.274 1.00 0.64 C ATOM 1058 C GLU A 70 10.782 -1.648 -9.239 1.00 0.63 C ATOM 1059 O GLU A 70 10.761 -0.990 -10.261 1.00 0.74 O ATOM 1060 CB GLU A 70 10.991 -3.660 -10.702 1.00 0.71 C ATOM 1061 CG GLU A 70 11.224 -5.172 -10.704 1.00 1.45 C ATOM 1062 CD GLU A 70 11.235 -5.680 -12.147 1.00 1.53 C ATOM 1063 OE1 GLU A 70 11.907 -5.042 -12.940 1.00 0.89 O ATOM 1064 OE2 GLU A 70 10.569 -6.677 -12.374 1.00 2.73 O ATOM 0 H GLU A 70 10.695 -4.477 -7.670 1.00 0.59 H new ATOM 0 HA GLU A 70 12.155 -3.258 -8.929 1.00 0.64 H new ATOM 0 HB2 GLU A 70 9.999 -3.432 -11.093 1.00 0.71 H new ATOM 0 HB3 GLU A 70 11.712 -3.168 -11.354 1.00 0.71 H new ATOM 0 HG2 GLU A 70 12.170 -5.406 -10.217 1.00 1.45 H new ATOM 0 HG3 GLU A 70 10.440 -5.673 -10.136 1.00 1.45 H new ATOM 1071 N VAL A 71 10.518 -1.144 -8.067 1.00 0.50 N ATOM 1072 CA VAL A 71 10.187 0.306 -7.966 1.00 0.49 C ATOM 1073 C VAL A 71 11.475 1.128 -7.889 1.00 0.60 C ATOM 1074 O VAL A 71 12.509 0.633 -7.486 1.00 0.70 O ATOM 1075 CB VAL A 71 9.350 0.558 -6.715 1.00 0.28 C ATOM 1076 CG1 VAL A 71 8.329 1.657 -7.011 1.00 0.37 C ATOM 1077 CG2 VAL A 71 8.609 -0.726 -6.333 1.00 0.27 C ATOM 0 H VAL A 71 10.516 -1.661 -7.188 1.00 0.50 H new ATOM 0 HA VAL A 71 9.620 0.603 -8.848 1.00 0.49 H new ATOM 0 HB VAL A 71 9.998 0.864 -5.894 1.00 0.28 H new ATOM 0 HG11 VAL A 71 7.727 1.843 -6.122 1.00 0.37 H new ATOM 0 HG12 VAL A 71 8.850 2.571 -7.294 1.00 0.37 H new ATOM 0 HG13 VAL A 71 7.681 1.341 -7.829 1.00 0.37 H new ATOM 0 HG21 VAL A 71 8.010 -0.549 -5.440 1.00 0.27 H new ATOM 0 HG22 VAL A 71 7.957 -1.027 -7.153 1.00 0.27 H new ATOM 0 HG23 VAL A 71 9.331 -1.518 -6.134 1.00 0.27 H new ATOM 1087 N LYS A 72 11.385 2.367 -8.278 1.00 0.64 N ATOM 1088 CA LYS A 72 12.591 3.239 -8.236 1.00 0.78 C ATOM 1089 C LYS A 72 12.187 4.664 -7.859 1.00 0.64 C ATOM 1090 O LYS A 72 12.891 5.611 -8.147 1.00 0.66 O ATOM 1091 CB LYS A 72 13.257 3.239 -9.612 1.00 1.05 C ATOM 1092 CG LYS A 72 14.699 2.746 -9.472 1.00 1.47 C ATOM 1093 CD LYS A 72 15.376 2.783 -10.843 1.00 1.34 C ATOM 1094 CE LYS A 72 16.587 1.851 -10.829 1.00 1.96 C ATOM 1095 NZ LYS A 72 17.357 1.978 -12.097 1.00 2.31 N ATOM 0 H LYS A 72 10.534 2.813 -8.622 1.00 0.64 H new ATOM 0 HA LYS A 72 13.290 2.860 -7.490 1.00 0.78 H new ATOM 0 HB2 LYS A 72 12.705 2.595 -10.297 1.00 1.05 H new ATOM 0 HB3 LYS A 72 13.243 4.243 -10.036 1.00 1.05 H new ATOM 0 HG2 LYS A 72 15.244 3.373 -8.767 1.00 1.47 H new ATOM 0 HG3 LYS A 72 14.713 1.732 -9.073 1.00 1.47 H new ATOM 0 HD2 LYS A 72 14.674 2.475 -11.617 1.00 1.34 H new ATOM 0 HD3 LYS A 72 15.687 3.800 -11.081 1.00 1.34 H new ATOM 0 HE2 LYS A 72 17.229 2.091 -9.981 1.00 1.96 H new ATOM 0 HE3 LYS A 72 16.258 0.820 -10.698 1.00 1.96 H new ATOM 0 HZ1 LYS A 72 18.176 1.338 -12.071 1.00 2.31 H new ATOM 0 HZ2 LYS A 72 16.747 1.726 -12.901 1.00 2.31 H new ATOM 0 HZ3 LYS A 72 17.687 2.958 -12.206 1.00 2.31 H new ATOM 1109 N CYS A 73 11.057 4.784 -7.219 1.00 0.51 N ATOM 1110 CA CYS A 73 10.589 6.140 -6.817 1.00 0.38 C ATOM 1111 C CYS A 73 9.417 6.032 -5.847 1.00 0.33 C ATOM 1112 O CYS A 73 8.480 5.293 -6.076 1.00 0.41 O ATOM 1113 CB CYS A 73 10.155 6.909 -8.064 1.00 0.40 C ATOM 1114 SG CYS A 73 9.359 5.965 -9.387 1.00 0.65 S ATOM 0 H CYS A 73 10.443 4.012 -6.959 1.00 0.51 H new ATOM 0 HA CYS A 73 11.404 6.667 -6.321 1.00 0.38 H new ATOM 0 HB2 CYS A 73 9.469 7.697 -7.753 1.00 0.40 H new ATOM 0 HB3 CYS A 73 11.035 7.399 -8.481 1.00 0.40 H new ATOM 0 HG CYS A 73 9.053 6.764 -10.366 1.00 0.65 H new ATOM 1120 N THR A 74 9.506 6.780 -4.781 1.00 0.22 N ATOM 1121 CA THR A 74 8.422 6.760 -3.758 1.00 0.17 C ATOM 1122 C THR A 74 7.746 8.147 -3.702 1.00 0.16 C ATOM 1123 O THR A 74 8.354 9.138 -4.053 1.00 0.15 O ATOM 1124 CB THR A 74 9.063 6.443 -2.399 1.00 0.13 C ATOM 1125 OG1 THR A 74 10.294 7.161 -2.409 1.00 0.18 O ATOM 1126 CG2 THR A 74 9.462 4.974 -2.304 1.00 0.16 C ATOM 0 H THR A 74 10.285 7.406 -4.574 1.00 0.22 H new ATOM 0 HA THR A 74 7.671 6.011 -4.008 1.00 0.17 H new ATOM 0 HB THR A 74 8.374 6.689 -1.591 1.00 0.13 H new ATOM 0 HG1 THR A 74 10.768 7.010 -1.565 1.00 0.18 H new ATOM 0 HG21 THR A 74 9.913 4.782 -1.330 1.00 0.16 H new ATOM 0 HG22 THR A 74 8.578 4.348 -2.424 1.00 0.16 H new ATOM 0 HG23 THR A 74 10.181 4.741 -3.089 1.00 0.16 H new ATOM 1134 N PRO A 75 6.495 8.199 -3.260 1.00 0.16 N ATOM 1135 CA PRO A 75 5.700 7.020 -2.840 1.00 0.17 C ATOM 1136 C PRO A 75 5.141 6.257 -4.059 1.00 0.22 C ATOM 1137 O PRO A 75 4.918 6.835 -5.108 1.00 0.27 O ATOM 1138 CB PRO A 75 4.535 7.610 -2.036 1.00 0.17 C ATOM 1139 CG PRO A 75 4.551 9.153 -2.266 1.00 0.17 C ATOM 1140 CD PRO A 75 5.811 9.481 -3.089 1.00 0.16 C ATOM 0 HA PRO A 75 6.305 6.312 -2.273 1.00 0.17 H new ATOM 0 HB2 PRO A 75 3.587 7.182 -2.362 1.00 0.17 H new ATOM 0 HB3 PRO A 75 4.642 7.378 -0.976 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.653 9.472 -2.795 1.00 0.17 H new ATOM 0 HG3 PRO A 75 4.565 9.683 -1.314 1.00 0.17 H new ATOM 0 HD2 PRO A 75 5.550 9.921 -4.052 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.445 10.201 -2.571 1.00 0.16 H new ATOM 1148 N THR A 76 4.929 4.973 -3.882 1.00 0.21 N ATOM 1149 CA THR A 76 4.367 4.146 -4.998 1.00 0.26 C ATOM 1150 C THR A 76 3.173 3.345 -4.473 1.00 0.21 C ATOM 1151 O THR A 76 3.297 2.606 -3.515 1.00 0.15 O ATOM 1152 CB THR A 76 5.445 3.189 -5.522 1.00 0.31 C ATOM 1153 OG1 THR A 76 6.029 3.876 -6.624 1.00 0.49 O ATOM 1154 CG2 THR A 76 4.833 1.920 -6.121 1.00 0.72 C ATOM 0 H THR A 76 5.120 4.465 -3.018 1.00 0.21 H new ATOM 0 HA THR A 76 4.042 4.795 -5.811 1.00 0.26 H new ATOM 0 HB THR A 76 6.124 2.917 -4.714 1.00 0.31 H new ATOM 0 HG1 THR A 76 6.868 4.296 -6.340 1.00 0.49 H new ATOM 0 HG21 THR A 76 5.628 1.267 -6.481 1.00 0.72 H new ATOM 0 HG22 THR A 76 4.255 1.400 -5.358 1.00 0.72 H new ATOM 0 HG23 THR A 76 4.180 2.188 -6.951 1.00 0.72 H new ATOM 1162 N PHE A 77 2.041 3.511 -5.107 1.00 0.24 N ATOM 1163 CA PHE A 77 0.824 2.782 -4.637 1.00 0.19 C ATOM 1164 C PHE A 77 0.526 1.575 -5.518 1.00 0.15 C ATOM 1165 O PHE A 77 0.529 1.673 -6.730 1.00 0.15 O ATOM 1166 CB PHE A 77 -0.366 3.729 -4.683 1.00 0.19 C ATOM 1167 CG PHE A 77 -0.276 4.696 -3.510 1.00 0.22 C ATOM 1168 CD1 PHE A 77 -0.432 4.233 -2.218 1.00 0.25 C ATOM 1169 CD2 PHE A 77 -0.040 6.043 -3.721 1.00 0.21 C ATOM 1170 CE1 PHE A 77 -0.352 5.104 -1.151 1.00 0.27 C ATOM 1171 CE2 PHE A 77 0.041 6.911 -2.653 1.00 0.24 C ATOM 1172 CZ PHE A 77 -0.116 6.442 -1.369 1.00 0.27 C ATOM 0 H PHE A 77 1.906 4.112 -5.920 1.00 0.24 H new ATOM 0 HA PHE A 77 1.004 2.432 -3.621 1.00 0.19 H new ATOM 0 HB2 PHE A 77 -0.374 4.279 -5.624 1.00 0.19 H new ATOM 0 HB3 PHE A 77 -1.298 3.165 -4.636 1.00 0.19 H new ATOM 0 HD1 PHE A 77 -0.618 3.184 -2.042 1.00 0.25 H new ATOM 0 HD2 PHE A 77 0.081 6.416 -4.727 1.00 0.21 H new ATOM 0 HE1 PHE A 77 -0.475 4.735 -0.143 1.00 0.27 H new ATOM 0 HE2 PHE A 77 0.228 7.961 -2.824 1.00 0.24 H new ATOM 0 HZ PHE A 77 -0.054 7.123 -0.533 1.00 0.27 H new ATOM 1182 N GLN A 78 0.276 0.460 -4.881 1.00 0.14 N ATOM 1183 CA GLN A 78 -0.054 -0.779 -5.653 1.00 0.13 C ATOM 1184 C GLN A 78 -1.380 -1.372 -5.163 1.00 0.12 C ATOM 1185 O GLN A 78 -1.732 -1.245 -4.007 1.00 0.17 O ATOM 1186 CB GLN A 78 1.064 -1.793 -5.465 1.00 0.15 C ATOM 1187 CG GLN A 78 2.190 -1.483 -6.455 1.00 0.12 C ATOM 1188 CD GLN A 78 3.405 -2.348 -6.126 1.00 0.84 C ATOM 1189 OE1 GLN A 78 3.282 -3.494 -5.743 1.00 1.72 O ATOM 1190 NE2 GLN A 78 4.598 -1.838 -6.260 1.00 0.64 N ATOM 0 H GLN A 78 0.285 0.352 -3.867 1.00 0.14 H new ATOM 0 HA GLN A 78 -0.154 -0.530 -6.710 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.440 -1.753 -4.443 1.00 0.15 H new ATOM 0 HB3 GLN A 78 0.687 -2.803 -5.627 1.00 0.15 H new ATOM 0 HG2 GLN A 78 1.857 -1.677 -7.475 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.456 -0.427 -6.402 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.708 -0.876 -6.581 1.00 0.64 H new ATOM 0 HE22 GLN A 78 5.421 -2.401 -6.044 1.00 0.64 H new ATOM 1199 N PHE A 79 -2.084 -2.009 -6.067 1.00 0.13 N ATOM 1200 CA PHE A 79 -3.401 -2.616 -5.702 1.00 0.18 C ATOM 1201 C PHE A 79 -3.316 -4.144 -5.806 1.00 0.23 C ATOM 1202 O PHE A 79 -2.981 -4.670 -6.849 1.00 0.26 O ATOM 1203 CB PHE A 79 -4.467 -2.108 -6.682 1.00 0.20 C ATOM 1204 CG PHE A 79 -4.812 -0.640 -6.381 1.00 0.15 C ATOM 1205 CD1 PHE A 79 -3.847 0.356 -6.485 1.00 0.12 C ATOM 1206 CD2 PHE A 79 -6.098 -0.286 -6.002 1.00 0.16 C ATOM 1207 CE1 PHE A 79 -4.170 1.673 -6.218 1.00 0.08 C ATOM 1208 CE2 PHE A 79 -6.413 1.031 -5.736 1.00 0.13 C ATOM 1209 CZ PHE A 79 -5.453 2.007 -5.845 1.00 0.09 C ATOM 0 H PHE A 79 -1.804 -2.134 -7.040 1.00 0.13 H new ATOM 0 HA PHE A 79 -3.660 -2.337 -4.681 1.00 0.18 H new ATOM 0 HB2 PHE A 79 -4.104 -2.201 -7.705 1.00 0.20 H new ATOM 0 HB3 PHE A 79 -5.364 -2.723 -6.605 1.00 0.20 H new ATOM 0 HD1 PHE A 79 -2.839 0.099 -6.776 1.00 0.12 H new ATOM 0 HD2 PHE A 79 -6.859 -1.047 -5.914 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.415 2.441 -6.302 1.00 0.08 H new ATOM 0 HE2 PHE A 79 -7.418 1.295 -5.441 1.00 0.13 H new ATOM 0 HZ PHE A 79 -5.704 3.037 -5.638 1.00 0.09 H new ATOM 1219 N PHE A 80 -3.627 -4.823 -4.724 1.00 0.26 N ATOM 1220 CA PHE A 80 -3.566 -6.320 -4.747 1.00 0.32 C ATOM 1221 C PHE A 80 -4.920 -6.914 -4.342 1.00 0.41 C ATOM 1222 O PHE A 80 -5.580 -6.419 -3.449 1.00 0.46 O ATOM 1223 CB PHE A 80 -2.488 -6.789 -3.768 1.00 0.27 C ATOM 1224 CG PHE A 80 -1.106 -6.471 -4.343 1.00 0.18 C ATOM 1225 CD1 PHE A 80 -0.590 -7.216 -5.389 1.00 0.20 C ATOM 1226 CD2 PHE A 80 -0.354 -5.432 -3.824 1.00 0.14 C ATOM 1227 CE1 PHE A 80 0.658 -6.925 -5.905 1.00 0.20 C ATOM 1228 CE2 PHE A 80 0.893 -5.145 -4.341 1.00 0.07 C ATOM 1229 CZ PHE A 80 1.397 -5.891 -5.380 1.00 0.13 C ATOM 0 H PHE A 80 -3.917 -4.411 -3.837 1.00 0.26 H new ATOM 0 HA PHE A 80 -3.325 -6.655 -5.756 1.00 0.32 H new ATOM 0 HB2 PHE A 80 -2.616 -6.295 -2.805 1.00 0.27 H new ATOM 0 HB3 PHE A 80 -2.583 -7.860 -3.591 1.00 0.27 H new ATOM 0 HD1 PHE A 80 -1.166 -8.030 -5.804 1.00 0.20 H new ATOM 0 HD2 PHE A 80 -0.746 -4.842 -3.009 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.054 -7.510 -6.722 1.00 0.20 H new ATOM 0 HE2 PHE A 80 1.474 -4.333 -3.929 1.00 0.07 H new ATOM 0 HZ PHE A 80 2.373 -5.665 -5.784 1.00 0.13 H new ATOM 1239 N LYS A 81 -5.304 -7.963 -5.017 1.00 0.44 N ATOM 1240 CA LYS A 81 -6.606 -8.619 -4.690 1.00 0.53 C ATOM 1241 C LYS A 81 -6.466 -10.137 -4.831 1.00 0.41 C ATOM 1242 O LYS A 81 -5.967 -10.624 -5.826 1.00 0.39 O ATOM 1243 CB LYS A 81 -7.681 -8.113 -5.650 1.00 0.71 C ATOM 1244 CG LYS A 81 -9.056 -8.542 -5.133 1.00 0.81 C ATOM 1245 CD LYS A 81 -10.140 -7.936 -6.026 1.00 0.64 C ATOM 1246 CE LYS A 81 -11.514 -8.354 -5.500 1.00 1.15 C ATOM 1247 NZ LYS A 81 -11.780 -7.723 -4.176 1.00 2.66 N ATOM 0 H LYS A 81 -4.777 -8.394 -5.777 1.00 0.44 H new ATOM 0 HA LYS A 81 -6.889 -8.378 -3.665 1.00 0.53 H new ATOM 0 HB2 LYS A 81 -7.632 -7.027 -5.731 1.00 0.71 H new ATOM 0 HB3 LYS A 81 -7.513 -8.515 -6.649 1.00 0.71 H new ATOM 0 HG2 LYS A 81 -9.135 -9.629 -5.132 1.00 0.81 H new ATOM 0 HG3 LYS A 81 -9.190 -8.212 -4.103 1.00 0.81 H new ATOM 0 HD2 LYS A 81 -10.056 -6.849 -6.035 1.00 0.64 H new ATOM 0 HD3 LYS A 81 -10.012 -8.274 -7.054 1.00 0.64 H new ATOM 0 HE2 LYS A 81 -12.287 -8.061 -6.211 1.00 1.15 H new ATOM 0 HE3 LYS A 81 -11.560 -9.439 -5.408 1.00 1.15 H new ATOM 0 HZ1 LYS A 81 -12.792 -7.803 -3.951 1.00 2.66 H new ATOM 0 HZ2 LYS A 81 -11.223 -8.206 -3.443 1.00 2.66 H new ATOM 0 HZ3 LYS A 81 -11.511 -6.719 -4.210 1.00 2.66 H new ATOM 1261 N LYS A 82 -6.907 -10.855 -3.834 1.00 0.38 N ATOM 1262 CA LYS A 82 -6.792 -12.340 -3.904 1.00 0.27 C ATOM 1263 C LYS A 82 -5.351 -12.736 -4.227 1.00 0.22 C ATOM 1264 O LYS A 82 -5.068 -13.876 -4.540 1.00 0.32 O ATOM 1265 CB LYS A 82 -7.719 -12.867 -4.986 1.00 0.40 C ATOM 1266 CG LYS A 82 -8.109 -14.300 -4.636 1.00 0.76 C ATOM 1267 CD LYS A 82 -9.333 -14.283 -3.717 1.00 1.80 C ATOM 1268 CE LYS A 82 -10.603 -14.311 -4.569 1.00 1.11 C ATOM 1269 NZ LYS A 82 -10.774 -15.645 -5.209 1.00 0.80 N ATOM 0 H LYS A 82 -7.336 -10.485 -2.986 1.00 0.38 H new ATOM 0 HA LYS A 82 -7.072 -12.768 -2.942 1.00 0.27 H new ATOM 0 HB2 LYS A 82 -8.608 -12.240 -5.061 1.00 0.40 H new ATOM 0 HB3 LYS A 82 -7.224 -12.836 -5.957 1.00 0.40 H new ATOM 0 HG2 LYS A 82 -8.330 -14.861 -5.544 1.00 0.76 H new ATOM 0 HG3 LYS A 82 -7.278 -14.805 -4.144 1.00 0.76 H new ATOM 0 HD2 LYS A 82 -9.311 -15.142 -3.047 1.00 1.80 H new ATOM 0 HD3 LYS A 82 -9.320 -13.391 -3.091 1.00 1.80 H new ATOM 0 HE2 LYS A 82 -11.470 -14.086 -3.948 1.00 1.11 H new ATOM 0 HE3 LYS A 82 -10.551 -13.538 -5.335 1.00 1.11 H new ATOM 0 HZ1 LYS A 82 -11.784 -15.819 -5.385 1.00 0.80 H new ATOM 0 HZ2 LYS A 82 -10.257 -15.666 -6.111 1.00 0.80 H new ATOM 0 HZ3 LYS A 82 -10.400 -16.383 -4.579 1.00 0.80 H new ATOM 1283 N GLY A 83 -4.468 -11.780 -4.145 1.00 0.20 N ATOM 1284 CA GLY A 83 -3.041 -12.070 -4.444 1.00 0.25 C ATOM 1285 C GLY A 83 -2.750 -11.821 -5.923 1.00 0.46 C ATOM 1286 O GLY A 83 -1.964 -12.522 -6.529 1.00 0.86 O ATOM 0 H GLY A 83 -4.673 -10.815 -3.885 1.00 0.20 H new ATOM 0 HA2 GLY A 83 -2.398 -11.441 -3.829 1.00 0.25 H new ATOM 0 HA3 GLY A 83 -2.812 -13.105 -4.190 1.00 0.25 H new ATOM 1290 N GLN A 84 -3.392 -10.825 -6.472 1.00 0.39 N ATOM 1291 CA GLN A 84 -3.165 -10.509 -7.913 1.00 0.56 C ATOM 1292 C GLN A 84 -3.159 -8.995 -8.128 1.00 0.48 C ATOM 1293 O GLN A 84 -4.080 -8.303 -7.738 1.00 0.47 O ATOM 1294 CB GLN A 84 -4.275 -11.146 -8.750 1.00 0.78 C ATOM 1295 CG GLN A 84 -3.883 -12.588 -9.086 1.00 0.59 C ATOM 1296 CD GLN A 84 -5.066 -13.291 -9.753 1.00 1.10 C ATOM 1297 OE1 GLN A 84 -5.318 -14.458 -9.523 1.00 1.92 O ATOM 1298 NE2 GLN A 84 -5.815 -12.621 -10.584 1.00 1.53 N ATOM 0 H GLN A 84 -4.058 -10.221 -5.991 1.00 0.39 H new ATOM 0 HA GLN A 84 -2.199 -10.909 -8.220 1.00 0.56 H new ATOM 0 HB2 GLN A 84 -5.216 -11.130 -8.201 1.00 0.78 H new ATOM 0 HB3 GLN A 84 -4.430 -10.575 -9.666 1.00 0.78 H new ATOM 0 HG2 GLN A 84 -3.019 -12.597 -9.750 1.00 0.59 H new ATOM 0 HG3 GLN A 84 -3.594 -13.119 -8.179 1.00 0.59 H new ATOM 0 HE21 GLN A 84 -5.608 -11.642 -10.781 1.00 1.53 H new ATOM 0 HE22 GLN A 84 -6.607 -13.076 -11.037 1.00 1.53 H new ATOM 1307 N LYS A 85 -2.119 -8.513 -8.746 1.00 0.44 N ATOM 1308 CA LYS A 85 -2.021 -7.050 -8.997 1.00 0.36 C ATOM 1309 C LYS A 85 -3.048 -6.621 -10.051 1.00 0.40 C ATOM 1310 O LYS A 85 -2.950 -6.997 -11.203 1.00 0.58 O ATOM 1311 CB LYS A 85 -0.608 -6.742 -9.495 1.00 0.32 C ATOM 1312 CG LYS A 85 -0.377 -5.229 -9.503 1.00 0.23 C ATOM 1313 CD LYS A 85 1.127 -4.958 -9.544 1.00 0.20 C ATOM 1314 CE LYS A 85 1.709 -5.556 -10.826 1.00 0.30 C ATOM 1315 NZ LYS A 85 3.052 -4.976 -11.108 1.00 0.38 N ATOM 0 H LYS A 85 -1.334 -9.067 -9.088 1.00 0.44 H new ATOM 0 HA LYS A 85 -2.226 -6.503 -8.077 1.00 0.36 H new ATOM 0 HB2 LYS A 85 0.127 -7.228 -8.853 1.00 0.32 H new ATOM 0 HB3 LYS A 85 -0.471 -7.145 -10.498 1.00 0.32 H new ATOM 0 HG2 LYS A 85 -0.865 -4.778 -10.367 1.00 0.23 H new ATOM 0 HG3 LYS A 85 -0.818 -4.776 -8.615 1.00 0.23 H new ATOM 0 HD2 LYS A 85 1.317 -3.885 -9.510 1.00 0.20 H new ATOM 0 HD3 LYS A 85 1.612 -5.396 -8.671 1.00 0.20 H new ATOM 0 HE2 LYS A 85 1.787 -6.639 -10.727 1.00 0.30 H new ATOM 0 HE3 LYS A 85 1.039 -5.360 -11.663 1.00 0.30 H new ATOM 0 HZ1 LYS A 85 3.352 -5.246 -12.067 1.00 0.38 H new ATOM 0 HZ2 LYS A 85 3.004 -3.939 -11.039 1.00 0.38 H new ATOM 0 HZ3 LYS A 85 3.739 -5.338 -10.416 1.00 0.38 H new ATOM 1329 N VAL A 86 -4.011 -5.839 -9.629 1.00 0.59 N ATOM 1330 CA VAL A 86 -5.064 -5.373 -10.586 1.00 0.62 C ATOM 1331 C VAL A 86 -4.880 -3.885 -10.906 1.00 0.56 C ATOM 1332 O VAL A 86 -5.422 -3.386 -11.872 1.00 0.69 O ATOM 1333 CB VAL A 86 -6.438 -5.592 -9.956 1.00 0.64 C ATOM 1334 CG1 VAL A 86 -6.767 -7.087 -9.974 1.00 0.72 C ATOM 1335 CG2 VAL A 86 -6.412 -5.101 -8.507 1.00 0.62 C ATOM 0 H VAL A 86 -4.114 -5.505 -8.671 1.00 0.59 H new ATOM 0 HA VAL A 86 -4.980 -5.940 -11.513 1.00 0.62 H new ATOM 0 HB VAL A 86 -7.192 -5.041 -10.518 1.00 0.64 H new ATOM 0 HG11 VAL A 86 -7.747 -7.249 -9.525 1.00 0.72 H new ATOM 0 HG12 VAL A 86 -6.775 -7.445 -11.003 1.00 0.72 H new ATOM 0 HG13 VAL A 86 -6.013 -7.632 -9.406 1.00 0.72 H new ATOM 0 HG21 VAL A 86 -7.391 -5.255 -8.053 1.00 0.62 H new ATOM 0 HG22 VAL A 86 -5.661 -5.658 -7.947 1.00 0.62 H new ATOM 0 HG23 VAL A 86 -6.166 -4.039 -8.487 1.00 0.62 H new ATOM 1345 N GLY A 87 -4.120 -3.205 -10.089 1.00 0.38 N ATOM 1346 CA GLY A 87 -3.898 -1.751 -10.342 1.00 0.32 C ATOM 1347 C GLY A 87 -2.555 -1.301 -9.761 1.00 0.25 C ATOM 1348 O GLY A 87 -2.057 -1.885 -8.818 1.00 0.24 O ATOM 0 H GLY A 87 -3.649 -3.586 -9.268 1.00 0.38 H new ATOM 0 HA2 GLY A 87 -3.920 -1.556 -11.414 1.00 0.32 H new ATOM 0 HA3 GLY A 87 -4.706 -1.171 -9.896 1.00 0.32 H new ATOM 1352 N GLU A 88 -1.992 -0.271 -10.337 1.00 0.23 N ATOM 1353 CA GLU A 88 -0.683 0.226 -9.818 1.00 0.25 C ATOM 1354 C GLU A 88 -0.331 1.578 -10.442 1.00 0.27 C ATOM 1355 O GLU A 88 -0.264 1.716 -11.647 1.00 0.32 O ATOM 1356 CB GLU A 88 0.407 -0.799 -10.155 1.00 0.38 C ATOM 1357 CG GLU A 88 1.771 -0.100 -10.211 1.00 0.87 C ATOM 1358 CD GLU A 88 2.881 -1.148 -10.092 1.00 1.39 C ATOM 1359 OE1 GLU A 88 2.888 -2.028 -10.938 1.00 1.20 O ATOM 1360 OE2 GLU A 88 3.659 -1.009 -9.163 1.00 2.39 O ATOM 0 H GLU A 88 -2.374 0.241 -11.132 1.00 0.23 H new ATOM 0 HA GLU A 88 -0.754 0.356 -8.738 1.00 0.25 H new ATOM 0 HB2 GLU A 88 0.422 -1.589 -9.404 1.00 0.38 H new ATOM 0 HB3 GLU A 88 0.191 -1.274 -11.112 1.00 0.38 H new ATOM 0 HG2 GLU A 88 1.873 0.450 -11.147 1.00 0.87 H new ATOM 0 HG3 GLU A 88 1.853 0.627 -9.403 1.00 0.87 H new ATOM 1367 N PHE A 89 -0.115 2.545 -9.596 1.00 0.29 N ATOM 1368 CA PHE A 89 0.249 3.895 -10.087 1.00 0.36 C ATOM 1369 C PHE A 89 1.053 4.637 -9.010 1.00 0.36 C ATOM 1370 O PHE A 89 0.739 4.556 -7.836 1.00 0.36 O ATOM 1371 CB PHE A 89 -1.039 4.639 -10.408 1.00 0.38 C ATOM 1372 CG PHE A 89 -1.561 5.355 -9.160 1.00 0.36 C ATOM 1373 CD1 PHE A 89 -1.043 6.581 -8.779 1.00 0.38 C ATOM 1374 CD2 PHE A 89 -2.569 4.785 -8.399 1.00 0.32 C ATOM 1375 CE1 PHE A 89 -1.525 7.222 -7.655 1.00 0.37 C ATOM 1376 CE2 PHE A 89 -3.048 5.428 -7.277 1.00 0.32 C ATOM 1377 CZ PHE A 89 -2.525 6.645 -6.905 1.00 0.34 C ATOM 0 H PHE A 89 -0.176 2.455 -8.582 1.00 0.29 H new ATOM 0 HA PHE A 89 0.868 3.828 -10.982 1.00 0.36 H new ATOM 0 HB2 PHE A 89 -0.861 5.363 -11.204 1.00 0.38 H new ATOM 0 HB3 PHE A 89 -1.790 3.939 -10.776 1.00 0.38 H new ATOM 0 HD1 PHE A 89 -0.258 7.038 -9.364 1.00 0.38 H new ATOM 0 HD2 PHE A 89 -2.983 3.830 -8.687 1.00 0.32 H new ATOM 0 HE1 PHE A 89 -1.117 8.178 -7.363 1.00 0.37 H new ATOM 0 HE2 PHE A 89 -3.834 4.976 -6.690 1.00 0.32 H new ATOM 0 HZ PHE A 89 -2.899 7.147 -6.025 1.00 0.34 H new ATOM 1387 N SER A 90 2.077 5.339 -9.431 1.00 0.35 N ATOM 1388 CA SER A 90 2.923 6.078 -8.442 1.00 0.35 C ATOM 1389 C SER A 90 2.644 7.581 -8.500 1.00 0.31 C ATOM 1390 O SER A 90 1.963 8.054 -9.389 1.00 0.30 O ATOM 1391 CB SER A 90 4.396 5.821 -8.759 1.00 0.33 C ATOM 1392 OG SER A 90 4.574 6.378 -10.053 1.00 0.42 O ATOM 0 H SER A 90 2.362 5.432 -10.406 1.00 0.35 H new ATOM 0 HA SER A 90 2.684 5.723 -7.439 1.00 0.35 H new ATOM 0 HB2 SER A 90 5.050 6.296 -8.027 1.00 0.33 H new ATOM 0 HB3 SER A 90 4.626 4.756 -8.748 1.00 0.33 H new ATOM 0 HG SER A 90 5.504 6.257 -10.336 1.00 0.42 H new ATOM 1398 N GLY A 91 3.185 8.295 -7.541 1.00 0.32 N ATOM 1399 CA GLY A 91 2.976 9.774 -7.503 1.00 0.29 C ATOM 1400 C GLY A 91 2.282 10.175 -6.199 1.00 0.33 C ATOM 1401 O GLY A 91 1.383 9.499 -5.739 1.00 0.36 O ATOM 0 H GLY A 91 3.759 7.918 -6.787 1.00 0.32 H new ATOM 0 HA2 GLY A 91 3.934 10.287 -7.586 1.00 0.29 H new ATOM 0 HA3 GLY A 91 2.373 10.086 -8.356 1.00 0.29 H new ATOM 1405 N ALA A 92 2.714 11.267 -5.632 1.00 0.33 N ATOM 1406 CA ALA A 92 2.092 11.725 -4.355 1.00 0.37 C ATOM 1407 C ALA A 92 0.748 12.406 -4.633 1.00 0.21 C ATOM 1408 O ALA A 92 0.670 13.616 -4.712 1.00 0.45 O ATOM 1409 CB ALA A 92 3.031 12.715 -3.668 1.00 0.56 C ATOM 0 H ALA A 92 3.463 11.858 -5.992 1.00 0.33 H new ATOM 0 HA ALA A 92 1.923 10.863 -3.710 1.00 0.37 H new ATOM 0 HB1 ALA A 92 2.583 13.054 -2.734 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.983 12.228 -3.458 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.198 13.571 -4.322 1.00 0.56 H new ATOM 1415 N ASN A 93 -0.280 11.609 -4.777 1.00 0.26 N ATOM 1416 CA ASN A 93 -1.632 12.184 -5.049 1.00 0.10 C ATOM 1417 C ASN A 93 -2.683 11.489 -4.179 1.00 0.18 C ATOM 1418 O ASN A 93 -2.759 10.277 -4.141 1.00 0.25 O ATOM 1419 CB ASN A 93 -1.977 11.982 -6.523 1.00 0.09 C ATOM 1420 CG ASN A 93 -2.994 13.041 -6.952 1.00 0.20 C ATOM 1421 OD1 ASN A 93 -3.107 13.375 -8.115 1.00 0.15 O ATOM 1422 ND2 ASN A 93 -3.752 13.594 -6.046 1.00 0.37 N ATOM 0 H ASN A 93 -0.243 10.591 -4.718 1.00 0.26 H new ATOM 0 HA ASN A 93 -1.624 13.248 -4.813 1.00 0.10 H new ATOM 0 HB2 ASN A 93 -1.077 12.057 -7.133 1.00 0.09 H new ATOM 0 HB3 ASN A 93 -2.386 10.984 -6.680 1.00 0.09 H new ATOM 0 HD21 ASN A 93 -4.435 14.302 -6.315 1.00 0.37 H new ATOM 0 HD22 ASN A 93 -3.662 13.318 -5.068 1.00 0.37 H new ATOM 1429 N LYS A 94 -3.473 12.276 -3.500 1.00 0.27 N ATOM 1430 CA LYS A 94 -4.526 11.681 -2.623 1.00 0.44 C ATOM 1431 C LYS A 94 -5.867 11.660 -3.359 1.00 0.47 C ATOM 1432 O LYS A 94 -6.540 10.649 -3.405 1.00 0.52 O ATOM 1433 CB LYS A 94 -4.660 12.519 -1.344 1.00 0.63 C ATOM 1434 CG LYS A 94 -3.274 13.011 -0.903 1.00 0.22 C ATOM 1435 CD LYS A 94 -3.059 14.447 -1.400 1.00 0.66 C ATOM 1436 CE LYS A 94 -1.557 14.736 -1.465 1.00 1.44 C ATOM 1437 NZ LYS A 94 -1.312 16.140 -1.899 1.00 2.19 N ATOM 0 H LYS A 94 -3.437 13.295 -3.513 1.00 0.27 H new ATOM 0 HA LYS A 94 -4.242 10.661 -2.365 1.00 0.44 H new ATOM 0 HB2 LYS A 94 -5.319 13.369 -1.521 1.00 0.63 H new ATOM 0 HB3 LYS A 94 -5.114 11.923 -0.553 1.00 0.63 H new ATOM 0 HG2 LYS A 94 -3.192 12.975 0.183 1.00 0.22 H new ATOM 0 HG3 LYS A 94 -2.500 12.357 -1.303 1.00 0.22 H new ATOM 0 HD2 LYS A 94 -3.509 14.575 -2.384 1.00 0.66 H new ATOM 0 HD3 LYS A 94 -3.549 15.154 -0.730 1.00 0.66 H new ATOM 0 HE2 LYS A 94 -1.106 14.568 -0.487 1.00 1.44 H new ATOM 0 HE3 LYS A 94 -1.078 14.046 -2.160 1.00 1.44 H new ATOM 0 HZ1 LYS A 94 -0.288 16.318 -1.937 1.00 2.19 H new ATOM 0 HZ2 LYS A 94 -1.725 16.289 -2.842 1.00 2.19 H new ATOM 0 HZ3 LYS A 94 -1.752 16.795 -1.221 1.00 2.19 H new ATOM 1451 N GLU A 95 -6.227 12.781 -3.922 1.00 0.50 N ATOM 1452 CA GLU A 95 -7.516 12.848 -4.657 1.00 0.65 C ATOM 1453 C GLU A 95 -7.629 11.671 -5.628 1.00 0.53 C ATOM 1454 O GLU A 95 -8.710 11.312 -6.050 1.00 0.58 O ATOM 1455 CB GLU A 95 -7.584 14.162 -5.434 1.00 0.77 C ATOM 1456 CG GLU A 95 -8.485 15.144 -4.682 1.00 0.73 C ATOM 1457 CD GLU A 95 -9.940 14.682 -4.794 1.00 1.68 C ATOM 1458 OE1 GLU A 95 -10.144 13.702 -5.490 1.00 2.62 O ATOM 1459 OE2 GLU A 95 -10.764 15.336 -4.176 1.00 2.13 O ATOM 0 H GLU A 95 -5.687 13.646 -3.904 1.00 0.50 H new ATOM 0 HA GLU A 95 -8.340 12.798 -3.945 1.00 0.65 H new ATOM 0 HB2 GLU A 95 -6.585 14.582 -5.550 1.00 0.77 H new ATOM 0 HB3 GLU A 95 -7.974 13.986 -6.436 1.00 0.77 H new ATOM 0 HG2 GLU A 95 -8.188 15.199 -3.635 1.00 0.73 H new ATOM 0 HG3 GLU A 95 -8.376 16.146 -5.097 1.00 0.73 H new ATOM 1466 N LYS A 96 -6.508 11.095 -5.959 1.00 0.40 N ATOM 1467 CA LYS A 96 -6.535 9.938 -6.900 1.00 0.31 C ATOM 1468 C LYS A 96 -6.847 8.644 -6.141 1.00 0.22 C ATOM 1469 O LYS A 96 -7.746 7.919 -6.500 1.00 0.10 O ATOM 1470 CB LYS A 96 -5.177 9.811 -7.585 1.00 0.28 C ATOM 1471 CG LYS A 96 -5.219 8.629 -8.563 1.00 0.32 C ATOM 1472 CD LYS A 96 -4.729 9.080 -9.943 1.00 0.51 C ATOM 1473 CE LYS A 96 -5.802 9.949 -10.604 1.00 1.03 C ATOM 1474 NZ LYS A 96 -5.171 11.072 -11.351 1.00 1.33 N ATOM 0 H LYS A 96 -5.584 11.369 -5.625 1.00 0.40 H new ATOM 0 HA LYS A 96 -7.311 10.106 -7.647 1.00 0.31 H new ATOM 0 HB2 LYS A 96 -4.936 10.731 -8.117 1.00 0.28 H new ATOM 0 HB3 LYS A 96 -4.394 9.658 -6.843 1.00 0.28 H new ATOM 0 HG2 LYS A 96 -4.594 7.816 -8.193 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -6.235 8.242 -8.636 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -3.800 9.641 -9.846 1.00 0.51 H new ATOM 0 HD3 LYS A 96 -4.513 8.212 -10.566 1.00 0.51 H new ATOM 0 HE2 LYS A 96 -6.402 9.344 -11.283 1.00 1.03 H new ATOM 0 HE3 LYS A 96 -6.479 10.343 -9.846 1.00 1.03 H new ATOM 0 HZ1 LYS A 96 -5.911 11.653 -11.794 1.00 1.33 H new ATOM 0 HZ2 LYS A 96 -4.617 11.658 -10.694 1.00 1.33 H new ATOM 0 HZ3 LYS A 96 -4.543 10.690 -12.087 1.00 1.33 H new ATOM 1488 N LEU A 97 -6.092 8.389 -5.107 1.00 0.31 N ATOM 1489 CA LEU A 97 -6.321 7.146 -4.302 1.00 0.27 C ATOM 1490 C LEU A 97 -7.821 6.894 -4.110 1.00 0.25 C ATOM 1491 O LEU A 97 -8.313 5.821 -4.389 1.00 0.22 O ATOM 1492 CB LEU A 97 -5.665 7.321 -2.933 1.00 0.38 C ATOM 1493 CG LEU A 97 -4.142 7.136 -3.064 1.00 0.35 C ATOM 1494 CD1 LEU A 97 -3.469 7.539 -1.747 1.00 0.39 C ATOM 1495 CD2 LEU A 97 -3.810 5.663 -3.367 1.00 0.31 C ATOM 0 H LEU A 97 -5.328 8.982 -4.783 1.00 0.31 H new ATOM 0 HA LEU A 97 -5.889 6.296 -4.830 1.00 0.27 H new ATOM 0 HB2 LEU A 97 -5.889 8.311 -2.535 1.00 0.38 H new ATOM 0 HB3 LEU A 97 -6.071 6.595 -2.228 1.00 0.38 H new ATOM 0 HG LEU A 97 -3.777 7.761 -3.879 1.00 0.35 H new ATOM 0 HD11 LEU A 97 -2.390 7.410 -1.835 1.00 0.39 H new ATOM 0 HD12 LEU A 97 -3.693 8.583 -1.529 1.00 0.39 H new ATOM 0 HD13 LEU A 97 -3.845 6.911 -0.939 1.00 0.39 H new ATOM 0 HD21 LEU A 97 -2.730 5.545 -3.457 1.00 0.31 H new ATOM 0 HD22 LEU A 97 -4.178 5.033 -2.557 1.00 0.31 H new ATOM 0 HD23 LEU A 97 -4.287 5.367 -4.301 1.00 0.31 H new ATOM 1507 N GLU A 98 -8.512 7.893 -3.634 1.00 0.32 N ATOM 1508 CA GLU A 98 -9.980 7.732 -3.404 1.00 0.32 C ATOM 1509 C GLU A 98 -10.667 7.182 -4.652 1.00 0.27 C ATOM 1510 O GLU A 98 -11.097 6.047 -4.680 1.00 0.26 O ATOM 1511 CB GLU A 98 -10.578 9.096 -3.048 1.00 0.35 C ATOM 1512 CG GLU A 98 -12.105 9.046 -3.198 1.00 0.65 C ATOM 1513 CD GLU A 98 -12.637 7.728 -2.626 1.00 1.71 C ATOM 1514 OE1 GLU A 98 -12.372 7.498 -1.458 1.00 2.35 O ATOM 1515 OE2 GLU A 98 -13.280 7.027 -3.391 1.00 2.88 O ATOM 0 H GLU A 98 -8.130 8.808 -3.395 1.00 0.32 H new ATOM 0 HA GLU A 98 -10.137 7.027 -2.588 1.00 0.32 H new ATOM 0 HB2 GLU A 98 -10.312 9.365 -2.026 1.00 0.35 H new ATOM 0 HB3 GLU A 98 -10.164 9.866 -3.698 1.00 0.35 H new ATOM 0 HG2 GLU A 98 -12.559 9.889 -2.677 1.00 0.65 H new ATOM 0 HG3 GLU A 98 -12.380 9.135 -4.249 1.00 0.65 H new ATOM 1522 N ALA A 99 -10.757 7.996 -5.651 1.00 0.24 N ATOM 1523 CA ALA A 99 -11.425 7.543 -6.908 1.00 0.19 C ATOM 1524 C ALA A 99 -10.799 6.239 -7.407 1.00 0.21 C ATOM 1525 O ALA A 99 -11.457 5.436 -8.039 1.00 0.36 O ATOM 1526 CB ALA A 99 -11.282 8.625 -7.978 1.00 0.18 C ATOM 0 H ALA A 99 -10.402 8.952 -5.662 1.00 0.24 H new ATOM 0 HA ALA A 99 -12.481 7.366 -6.703 1.00 0.19 H new ATOM 0 HB1 ALA A 99 -11.769 8.296 -8.896 1.00 0.18 H new ATOM 0 HB2 ALA A 99 -11.750 9.546 -7.629 1.00 0.18 H new ATOM 0 HB3 ALA A 99 -10.225 8.806 -8.173 1.00 0.18 H new ATOM 1532 N THR A 100 -9.542 6.051 -7.116 1.00 0.15 N ATOM 1533 CA THR A 100 -8.878 4.796 -7.565 1.00 0.15 C ATOM 1534 C THR A 100 -9.471 3.613 -6.804 1.00 0.18 C ATOM 1535 O THR A 100 -9.701 2.559 -7.366 1.00 0.21 O ATOM 1536 CB THR A 100 -7.377 4.882 -7.297 1.00 0.14 C ATOM 1537 OG1 THR A 100 -6.980 6.135 -7.849 1.00 0.11 O ATOM 1538 CG2 THR A 100 -6.608 3.830 -8.094 1.00 0.10 C ATOM 0 H THR A 100 -8.953 6.701 -6.595 1.00 0.15 H new ATOM 0 HA THR A 100 -9.041 4.660 -8.634 1.00 0.15 H new ATOM 0 HB THR A 100 -7.180 4.751 -6.233 1.00 0.14 H new ATOM 0 HG1 THR A 100 -7.495 6.855 -7.429 1.00 0.11 H new ATOM 0 HG21 THR A 100 -5.543 3.919 -7.880 1.00 0.10 H new ATOM 0 HG22 THR A 100 -6.953 2.835 -7.812 1.00 0.10 H new ATOM 0 HG23 THR A 100 -6.778 3.984 -9.159 1.00 0.10 H new ATOM 1546 N ILE A 101 -9.707 3.810 -5.533 1.00 0.21 N ATOM 1547 CA ILE A 101 -10.306 2.712 -4.728 1.00 0.25 C ATOM 1548 C ILE A 101 -11.665 2.375 -5.309 1.00 0.20 C ATOM 1549 O ILE A 101 -11.993 1.223 -5.522 1.00 0.18 O ATOM 1550 CB ILE A 101 -10.466 3.179 -3.264 1.00 0.31 C ATOM 1551 CG1 ILE A 101 -9.102 3.110 -2.532 1.00 0.50 C ATOM 1552 CG2 ILE A 101 -11.503 2.297 -2.547 1.00 0.29 C ATOM 1553 CD1 ILE A 101 -8.817 1.687 -2.011 1.00 1.58 C ATOM 0 H ILE A 101 -9.513 4.673 -5.025 1.00 0.21 H new ATOM 0 HA ILE A 101 -9.663 1.832 -4.753 1.00 0.25 H new ATOM 0 HB ILE A 101 -10.814 4.212 -3.254 1.00 0.31 H new ATOM 0 HG12 ILE A 101 -8.307 3.417 -3.211 1.00 0.50 H new ATOM 0 HG13 ILE A 101 -9.098 3.812 -1.698 1.00 0.50 H new ATOM 0 HG21 ILE A 101 -11.612 2.630 -1.515 1.00 0.29 H new ATOM 0 HG22 ILE A 101 -12.463 2.376 -3.057 1.00 0.29 H new ATOM 0 HG23 ILE A 101 -11.169 1.259 -2.560 1.00 0.29 H new ATOM 0 HD11 ILE A 101 -7.853 1.672 -1.503 1.00 1.58 H new ATOM 0 HD12 ILE A 101 -9.600 1.392 -1.313 1.00 1.58 H new ATOM 0 HD13 ILE A 101 -8.796 0.990 -2.849 1.00 1.58 H new ATOM 1565 N ASN A 102 -12.427 3.391 -5.550 1.00 0.25 N ATOM 1566 CA ASN A 102 -13.771 3.172 -6.129 1.00 0.22 C ATOM 1567 C ASN A 102 -13.634 2.490 -7.488 1.00 0.22 C ATOM 1568 O ASN A 102 -14.598 2.003 -8.044 1.00 0.21 O ATOM 1569 CB ASN A 102 -14.466 4.522 -6.290 1.00 0.29 C ATOM 1570 CG ASN A 102 -15.199 4.555 -7.629 1.00 1.05 C ATOM 1571 OD1 ASN A 102 -16.410 4.474 -7.692 1.00 1.25 O ATOM 1572 ND2 ASN A 102 -14.501 4.676 -8.721 1.00 2.49 N ATOM 0 H ASN A 102 -12.180 4.364 -5.372 1.00 0.25 H new ATOM 0 HA ASN A 102 -14.362 2.535 -5.471 1.00 0.22 H new ATOM 0 HB2 ASN A 102 -15.170 4.682 -5.473 1.00 0.29 H new ATOM 0 HB3 ASN A 102 -13.734 5.329 -6.243 1.00 0.29 H new ATOM 0 HD21 ASN A 102 -14.971 4.703 -9.626 1.00 2.49 H new ATOM 0 HD22 ASN A 102 -13.484 4.744 -8.672 1.00 2.49 H new ATOM 1579 N GLU A 103 -12.430 2.470 -7.994 1.00 0.25 N ATOM 1580 CA GLU A 103 -12.206 1.826 -9.316 1.00 0.27 C ATOM 1581 C GLU A 103 -12.207 0.302 -9.179 1.00 0.25 C ATOM 1582 O GLU A 103 -12.852 -0.386 -9.945 1.00 0.24 O ATOM 1583 CB GLU A 103 -10.861 2.280 -9.874 1.00 0.32 C ATOM 1584 CG GLU A 103 -10.911 2.234 -11.402 1.00 0.39 C ATOM 1585 CD GLU A 103 -11.474 3.556 -11.927 1.00 1.44 C ATOM 1586 OE1 GLU A 103 -12.492 3.962 -11.391 1.00 2.69 O ATOM 1587 OE2 GLU A 103 -10.854 4.085 -12.836 1.00 1.58 O ATOM 0 H GLU A 103 -11.601 2.868 -7.553 1.00 0.25 H new ATOM 0 HA GLU A 103 -13.011 2.118 -9.991 1.00 0.27 H new ATOM 0 HB2 GLU A 103 -10.636 3.291 -9.536 1.00 0.32 H new ATOM 0 HB3 GLU A 103 -10.064 1.635 -9.504 1.00 0.32 H new ATOM 0 HG2 GLU A 103 -9.913 2.064 -11.805 1.00 0.39 H new ATOM 0 HG3 GLU A 103 -11.534 1.403 -11.733 1.00 0.39 H new ATOM 1594 N LEU A 104 -11.485 -0.196 -8.205 1.00 0.25 N ATOM 1595 CA LEU A 104 -11.427 -1.680 -8.026 1.00 0.27 C ATOM 1596 C LEU A 104 -12.368 -2.134 -6.899 1.00 0.21 C ATOM 1597 O LEU A 104 -12.536 -3.316 -6.673 1.00 0.20 O ATOM 1598 CB LEU A 104 -9.989 -2.091 -7.686 1.00 0.34 C ATOM 1599 CG LEU A 104 -9.004 -1.419 -8.654 1.00 0.35 C ATOM 1600 CD1 LEU A 104 -7.620 -2.047 -8.462 1.00 0.35 C ATOM 1601 CD2 LEU A 104 -9.462 -1.641 -10.101 1.00 0.37 C ATOM 0 H LEU A 104 -10.942 0.350 -7.536 1.00 0.25 H new ATOM 0 HA LEU A 104 -11.745 -2.156 -8.954 1.00 0.27 H new ATOM 0 HB2 LEU A 104 -9.754 -1.806 -6.660 1.00 0.34 H new ATOM 0 HB3 LEU A 104 -9.888 -3.175 -7.747 1.00 0.34 H new ATOM 0 HG LEU A 104 -8.965 -0.349 -8.451 1.00 0.35 H new ATOM 0 HD11 LEU A 104 -6.910 -1.579 -9.144 1.00 0.35 H new ATOM 0 HD12 LEU A 104 -7.291 -1.894 -7.434 1.00 0.35 H new ATOM 0 HD13 LEU A 104 -7.673 -3.115 -8.671 1.00 0.35 H new ATOM 0 HD21 LEU A 104 -8.759 -1.162 -10.783 1.00 0.37 H new ATOM 0 HD22 LEU A 104 -9.500 -2.710 -10.311 1.00 0.37 H new ATOM 0 HD23 LEU A 104 -10.453 -1.209 -10.239 1.00 0.37 H new ATOM 1613 N VAL A 105 -12.963 -1.192 -6.216 1.00 0.22 N ATOM 1614 CA VAL A 105 -13.889 -1.577 -5.104 1.00 0.18 C ATOM 1615 C VAL A 105 -14.840 -2.686 -5.568 1.00 0.19 C ATOM 1616 O VAL A 105 -15.218 -2.628 -6.726 1.00 1.02 O ATOM 1617 CB VAL A 105 -14.702 -0.353 -4.671 1.00 0.15 C ATOM 1618 CG1 VAL A 105 -15.673 0.047 -5.789 1.00 0.22 C ATOM 1619 CG2 VAL A 105 -15.503 -0.706 -3.416 1.00 0.06 C ATOM 1620 OXT VAL A 105 -15.135 -3.528 -4.734 1.00 1.02 O ATOM 0 H VAL A 105 -12.853 -0.190 -6.373 1.00 0.22 H new ATOM 0 HA VAL A 105 -13.301 -1.944 -4.263 1.00 0.18 H new ATOM 0 HB VAL A 105 -14.026 0.477 -4.464 1.00 0.15 H new ATOM 0 HG11 VAL A 105 -16.249 0.918 -5.476 1.00 0.22 H new ATOM 0 HG12 VAL A 105 -15.110 0.289 -6.691 1.00 0.22 H new ATOM 0 HG13 VAL A 105 -16.351 -0.781 -5.996 1.00 0.22 H new ATOM 0 HG21 VAL A 105 -16.085 0.160 -3.100 1.00 0.06 H new ATOM 0 HG22 VAL A 105 -16.176 -1.535 -3.635 1.00 0.06 H new ATOM 0 HG23 VAL A 105 -14.820 -0.994 -2.617 1.00 0.06 H new TER 1630 VAL A 105