USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 542 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 60 HIS : no HD1:sc= 0.248 K(o=0.92,f=-4.4!) USER MOD Set 1.2: A 61 THR OG1 : rot 20:sc= 0.675 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 SER OG : rot 108:sc= 0.622 USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.102 USER MOD Set 3.2: A 15 CYS SG : rot 180:sc= -0.229 USER MOD Set 3.3: A 18 CYS SG : rot 120:sc= -0.4 USER MOD Single : A 13 MET CE :methyl -168:sc= -0.477 (180deg=-1.13) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.22) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 27 THR OG1 : rot 85:sc= 0.268 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -0.812 K(o=-0.81,f=-3.1) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.481 USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.791 USER MOD Single : A 42 ASN : amide:sc= 0.64 K(o=0.64,f=-0.0042) USER MOD Single : A 43 LYS NZ :NH3+ 134:sc= 1.27 (180deg=-3.48!) USER MOD Single : A 45 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.67 (180deg=-1.62!) USER MOD Single : A 48 TYR OH : rot 0:sc=-0.00703 USER MOD Single : A 64 SER OG : rot 72:sc= 1.01 USER MOD Single : A 70 SER OG : rot -98:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.041 -1.862 -5.914 1.00 0.97 N ATOM 47 CA VAL A 5 -8.068 -0.790 -6.069 1.00 0.84 C ATOM 48 C VAL A 5 -8.231 0.230 -4.938 1.00 0.84 C ATOM 49 O VAL A 5 -9.295 0.839 -4.825 1.00 1.18 O ATOM 50 CB VAL A 5 -8.279 -0.120 -7.440 1.00 1.10 C ATOM 51 CG1 VAL A 5 -7.068 0.752 -7.786 1.00 2.11 C ATOM 52 CG2 VAL A 5 -8.518 -1.157 -8.549 1.00 2.58 C ATOM 0 HA VAL A 5 -7.057 -1.194 -6.019 1.00 0.84 H new ATOM 0 HB VAL A 5 -9.170 0.504 -7.374 1.00 1.10 H new ATOM 0 HG11 VAL A 5 -7.224 1.223 -8.757 1.00 2.11 H new ATOM 0 HG12 VAL A 5 -6.945 1.522 -7.025 1.00 2.11 H new ATOM 0 HG13 VAL A 5 -6.172 0.132 -7.823 1.00 2.11 H new ATOM 0 HG21 VAL A 5 -8.662 -0.645 -9.501 1.00 2.58 H new ATOM 0 HG22 VAL A 5 -7.655 -1.819 -8.620 1.00 2.58 H new ATOM 0 HG23 VAL A 5 -9.406 -1.743 -8.314 1.00 2.58 H new ATOM 62 N LEU A 6 -7.204 0.428 -4.106 1.00 0.68 N ATOM 63 CA LEU A 6 -7.210 1.434 -3.049 1.00 0.71 C ATOM 64 C LEU A 6 -5.969 2.318 -3.175 1.00 0.68 C ATOM 65 O LEU A 6 -4.859 1.802 -3.306 1.00 0.72 O ATOM 66 CB LEU A 6 -7.241 0.780 -1.658 1.00 0.93 C ATOM 67 CG LEU A 6 -8.616 0.225 -1.244 1.00 1.40 C ATOM 68 CD1 LEU A 6 -8.920 -1.146 -1.865 1.00 2.63 C ATOM 69 CD2 LEU A 6 -8.662 0.106 0.285 1.00 1.89 C ATOM 0 H LEU A 6 -6.340 -0.112 -4.151 1.00 0.68 H new ATOM 0 HA LEU A 6 -8.109 2.040 -3.160 1.00 0.71 H new ATOM 0 HB2 LEU A 6 -6.514 -0.032 -1.636 1.00 0.93 H new ATOM 0 HB3 LEU A 6 -6.922 1.514 -0.918 1.00 0.93 H new ATOM 0 HG LEU A 6 -9.372 0.919 -1.611 1.00 1.40 H new ATOM 0 HD11 LEU A 6 -9.902 -1.485 -1.536 1.00 2.63 H new ATOM 0 HD12 LEU A 6 -8.910 -1.063 -2.952 1.00 2.63 H new ATOM 0 HD13 LEU A 6 -8.164 -1.865 -1.549 1.00 2.63 H new ATOM 0 HD21 LEU A 6 -9.632 -0.286 0.590 1.00 1.89 H new ATOM 0 HD22 LEU A 6 -7.875 -0.569 0.621 1.00 1.89 H new ATOM 0 HD23 LEU A 6 -8.512 1.089 0.731 1.00 1.89 H new ATOM 81 N GLU A 7 -6.162 3.641 -3.090 1.00 0.74 N ATOM 82 CA GLU A 7 -5.093 4.618 -2.963 1.00 0.77 C ATOM 83 C GLU A 7 -5.047 5.089 -1.512 1.00 0.75 C ATOM 84 O GLU A 7 -5.845 5.934 -1.101 1.00 1.21 O ATOM 85 CB GLU A 7 -5.288 5.801 -3.918 1.00 0.85 C ATOM 86 CG GLU A 7 -5.156 5.398 -5.393 1.00 0.89 C ATOM 87 CD GLU A 7 -4.442 6.484 -6.184 1.00 1.60 C ATOM 88 OE1 GLU A 7 -4.805 7.674 -6.047 1.00 2.26 O ATOM 89 OE2 GLU A 7 -3.435 6.171 -6.858 1.00 2.66 O ATOM 0 H GLU A 7 -7.090 4.063 -3.109 1.00 0.74 H new ATOM 0 HA GLU A 7 -4.146 4.153 -3.236 1.00 0.77 H new ATOM 0 HB2 GLU A 7 -6.272 6.239 -3.752 1.00 0.85 H new ATOM 0 HB3 GLU A 7 -4.553 6.573 -3.689 1.00 0.85 H new ATOM 0 HG2 GLU A 7 -4.604 4.461 -5.471 1.00 0.89 H new ATOM 0 HG3 GLU A 7 -6.145 5.222 -5.817 1.00 0.89 H new ATOM 96 N LEU A 8 -4.114 4.531 -0.741 1.00 0.43 N ATOM 97 CA LEU A 8 -3.845 4.956 0.624 1.00 0.47 C ATOM 98 C LEU A 8 -2.644 5.900 0.573 1.00 0.42 C ATOM 99 O LEU A 8 -1.662 5.630 -0.117 1.00 0.44 O ATOM 100 CB LEU A 8 -3.640 3.765 1.584 1.00 0.57 C ATOM 101 CG LEU A 8 -2.955 2.550 0.943 1.00 0.71 C ATOM 102 CD1 LEU A 8 -2.182 1.761 1.997 1.00 0.93 C ATOM 103 CD2 LEU A 8 -3.977 1.592 0.314 1.00 1.43 C ATOM 0 H LEU A 8 -3.520 3.763 -1.054 1.00 0.43 H new ATOM 0 HA LEU A 8 -4.708 5.481 1.035 1.00 0.47 H new ATOM 0 HB2 LEU A 8 -3.044 4.097 2.434 1.00 0.57 H new ATOM 0 HB3 LEU A 8 -4.610 3.457 1.975 1.00 0.57 H new ATOM 0 HG LEU A 8 -2.287 2.935 0.173 1.00 0.71 H new ATOM 0 HD11 LEU A 8 -1.701 0.902 1.529 1.00 0.93 H new ATOM 0 HD12 LEU A 8 -1.423 2.401 2.447 1.00 0.93 H new ATOM 0 HD13 LEU A 8 -2.869 1.416 2.769 1.00 0.93 H new ATOM 0 HD21 LEU A 8 -3.456 0.744 -0.130 1.00 1.43 H new ATOM 0 HD22 LEU A 8 -4.662 1.235 1.083 1.00 1.43 H new ATOM 0 HD23 LEU A 8 -4.540 2.116 -0.458 1.00 1.43 H new ATOM 115 N VAL A 9 -2.741 7.031 1.270 1.00 0.43 N ATOM 116 CA VAL A 9 -1.664 8.000 1.386 1.00 0.44 C ATOM 117 C VAL A 9 -0.788 7.524 2.539 1.00 0.40 C ATOM 118 O VAL A 9 -1.247 7.469 3.678 1.00 0.50 O ATOM 119 CB VAL A 9 -2.216 9.422 1.575 1.00 0.57 C ATOM 120 CG1 VAL A 9 -1.077 10.449 1.603 1.00 0.80 C ATOM 121 CG2 VAL A 9 -3.144 9.788 0.407 1.00 1.01 C ATOM 0 H VAL A 9 -3.585 7.300 1.776 1.00 0.43 H new ATOM 0 HA VAL A 9 -1.066 8.061 0.477 1.00 0.44 H new ATOM 0 HB VAL A 9 -2.759 9.441 2.520 1.00 0.57 H new ATOM 0 HG11 VAL A 9 -1.491 11.448 1.738 1.00 0.80 H new ATOM 0 HG12 VAL A 9 -0.402 10.222 2.428 1.00 0.80 H new ATOM 0 HG13 VAL A 9 -0.527 10.408 0.663 1.00 0.80 H new ATOM 0 HG21 VAL A 9 -3.529 10.797 0.551 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -2.587 9.743 -0.529 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -3.975 9.084 0.369 1.00 1.01 H new ATOM 131 N VAL A 10 0.443 7.133 2.222 1.00 0.40 N ATOM 132 CA VAL A 10 1.391 6.499 3.113 1.00 0.38 C ATOM 133 C VAL A 10 2.392 7.553 3.577 1.00 0.38 C ATOM 134 O VAL A 10 3.365 7.849 2.885 1.00 0.49 O ATOM 135 CB VAL A 10 2.053 5.304 2.407 1.00 0.40 C ATOM 136 CG1 VAL A 10 1.166 4.064 2.540 1.00 0.65 C ATOM 137 CG2 VAL A 10 2.309 5.542 0.916 1.00 0.64 C ATOM 0 H VAL A 10 0.820 7.260 1.283 1.00 0.40 H new ATOM 0 HA VAL A 10 0.896 6.096 3.997 1.00 0.38 H new ATOM 0 HB VAL A 10 3.017 5.164 2.896 1.00 0.40 H new ATOM 0 HG11 VAL A 10 1.641 3.221 2.038 1.00 0.65 H new ATOM 0 HG12 VAL A 10 1.028 3.827 3.595 1.00 0.65 H new ATOM 0 HG13 VAL A 10 0.196 4.260 2.082 1.00 0.65 H new ATOM 0 HG21 VAL A 10 2.777 4.659 0.482 1.00 0.64 H new ATOM 0 HG22 VAL A 10 1.363 5.736 0.411 1.00 0.64 H new ATOM 0 HG23 VAL A 10 2.969 6.401 0.793 1.00 0.64 H new ATOM 147 N ARG A 11 2.168 8.133 4.756 1.00 0.50 N ATOM 148 CA ARG A 11 3.020 9.224 5.211 1.00 0.58 C ATOM 149 C ARG A 11 4.319 8.590 5.698 1.00 0.59 C ATOM 150 O ARG A 11 4.290 7.539 6.341 1.00 0.81 O ATOM 151 CB ARG A 11 2.391 10.059 6.341 1.00 0.97 C ATOM 152 CG ARG A 11 1.088 10.806 6.010 1.00 1.01 C ATOM 153 CD ARG A 11 -0.030 9.838 5.607 1.00 2.14 C ATOM 154 NE ARG A 11 -1.389 10.252 5.967 1.00 3.11 N ATOM 155 CZ ARG A 11 -2.075 11.323 5.560 1.00 4.06 C ATOM 156 NH1 ARG A 11 -1.493 12.264 4.813 1.00 4.59 N ATOM 157 NH2 ARG A 11 -3.359 11.407 5.912 1.00 5.46 N ATOM 0 H ARG A 11 1.420 7.871 5.399 1.00 0.50 H new ATOM 0 HA ARG A 11 3.178 9.917 4.385 1.00 0.58 H new ATOM 0 HB2 ARG A 11 2.198 9.397 7.185 1.00 0.97 H new ATOM 0 HB3 ARG A 11 3.127 10.791 6.672 1.00 0.97 H new ATOM 0 HG2 ARG A 11 0.772 11.388 6.876 1.00 1.01 H new ATOM 0 HG3 ARG A 11 1.268 11.512 5.200 1.00 1.01 H new ATOM 0 HD2 ARG A 11 0.012 9.693 4.528 1.00 2.14 H new ATOM 0 HD3 ARG A 11 0.169 8.870 6.067 1.00 2.14 H new ATOM 0 HE ARG A 11 -1.878 9.638 6.618 1.00 3.11 H new ATOM 0 HH11 ARG A 11 -0.513 12.170 4.546 1.00 4.59 H new ATOM 0 HH12 ARG A 11 -2.028 13.077 4.509 1.00 4.59 H new ATOM 0 HH21 ARG A 11 -3.783 10.668 6.473 1.00 5.46 H new ATOM 0 HH22 ARG A 11 -3.916 12.210 5.620 1.00 5.46 H new ATOM 171 N GLY A 12 5.445 9.216 5.347 1.00 0.56 N ATOM 172 CA GLY A 12 6.772 8.788 5.757 1.00 0.67 C ATOM 173 C GLY A 12 7.622 8.300 4.584 1.00 0.70 C ATOM 174 O GLY A 12 8.845 8.379 4.667 1.00 0.98 O ATOM 0 H GLY A 12 5.453 10.049 4.759 1.00 0.56 H new ATOM 0 HA2 GLY A 12 7.281 9.617 6.249 1.00 0.67 H new ATOM 0 HA3 GLY A 12 6.681 7.988 6.492 1.00 0.67 H new ATOM 178 N MET A 13 7.020 7.799 3.494 1.00 0.63 N ATOM 179 CA MET A 13 7.815 7.257 2.404 1.00 0.81 C ATOM 180 C MET A 13 8.378 8.391 1.545 1.00 0.97 C ATOM 181 O MET A 13 7.775 8.806 0.555 1.00 1.82 O ATOM 182 CB MET A 13 7.056 6.183 1.616 1.00 1.10 C ATOM 183 CG MET A 13 5.707 6.625 1.046 1.00 0.94 C ATOM 184 SD MET A 13 5.273 5.931 -0.571 1.00 1.44 S ATOM 185 CE MET A 13 6.609 6.579 -1.588 1.00 1.27 C ATOM 0 H MET A 13 6.010 7.762 3.354 1.00 0.63 H new ATOM 0 HA MET A 13 8.674 6.730 2.819 1.00 0.81 H new ATOM 0 HB2 MET A 13 7.687 5.845 0.794 1.00 1.10 H new ATOM 0 HB3 MET A 13 6.893 5.324 2.267 1.00 1.10 H new ATOM 0 HG2 MET A 13 4.927 6.356 1.758 1.00 0.94 H new ATOM 0 HG3 MET A 13 5.705 7.712 0.967 1.00 0.94 H new ATOM 0 HE1 MET A 13 6.374 6.422 -2.641 1.00 1.27 H new ATOM 0 HE2 MET A 13 6.727 7.646 -1.397 1.00 1.27 H new ATOM 0 HE3 MET A 13 7.537 6.062 -1.343 1.00 1.27 H new ATOM 195 N THR A 14 9.524 8.923 1.959 1.00 0.71 N ATOM 196 CA THR A 14 10.126 10.103 1.371 1.00 0.92 C ATOM 197 C THR A 14 10.810 9.820 0.033 1.00 0.87 C ATOM 198 O THR A 14 10.844 10.713 -0.813 1.00 1.22 O ATOM 199 CB THR A 14 11.120 10.693 2.381 1.00 1.36 C ATOM 200 OG1 THR A 14 11.854 9.654 3.002 1.00 3.16 O ATOM 201 CG2 THR A 14 10.378 11.464 3.477 1.00 2.37 C ATOM 0 H THR A 14 10.067 8.533 2.729 1.00 0.71 H new ATOM 0 HA THR A 14 9.334 10.819 1.151 1.00 0.92 H new ATOM 0 HB THR A 14 11.788 11.363 1.840 1.00 1.36 H new ATOM 0 HG1 THR A 14 12.487 10.039 3.644 1.00 3.16 H new ATOM 0 HG21 THR A 14 11.099 11.875 4.184 1.00 2.37 H new ATOM 0 HG22 THR A 14 9.807 12.276 3.027 1.00 2.37 H new ATOM 0 HG23 THR A 14 9.700 10.790 4.001 1.00 2.37 H new ATOM 209 N CYS A 15 11.416 8.639 -0.145 1.00 0.72 N ATOM 210 CA CYS A 15 12.395 8.429 -1.209 1.00 0.71 C ATOM 211 C CYS A 15 12.334 7.016 -1.785 1.00 0.59 C ATOM 212 O CYS A 15 11.646 6.143 -1.258 1.00 0.52 O ATOM 213 CB CYS A 15 13.797 8.760 -0.681 1.00 0.81 C ATOM 214 SG CYS A 15 14.526 7.507 0.403 1.00 1.14 S ATOM 0 H CYS A 15 11.243 7.818 0.435 1.00 0.72 H new ATOM 0 HA CYS A 15 12.153 9.100 -2.033 1.00 0.71 H new ATOM 0 HB2 CYS A 15 14.462 8.913 -1.531 1.00 0.81 H new ATOM 0 HB3 CYS A 15 13.750 9.704 -0.139 1.00 0.81 H new ATOM 0 HG CYS A 15 15.707 7.896 0.783 1.00 1.14 H new ATOM 219 N ALA A 16 13.098 6.800 -2.862 1.00 0.62 N ATOM 220 CA ALA A 16 13.220 5.533 -3.574 1.00 0.61 C ATOM 221 C ALA A 16 13.409 4.348 -2.623 1.00 0.56 C ATOM 222 O ALA A 16 12.845 3.277 -2.845 1.00 0.57 O ATOM 223 CB ALA A 16 14.387 5.618 -4.560 1.00 0.73 C ATOM 0 H ALA A 16 13.670 7.537 -3.274 1.00 0.62 H new ATOM 0 HA ALA A 16 12.289 5.359 -4.113 1.00 0.61 H new ATOM 0 HB1 ALA A 16 14.482 4.673 -5.094 1.00 0.73 H new ATOM 0 HB2 ALA A 16 14.203 6.421 -5.273 1.00 0.73 H new ATOM 0 HB3 ALA A 16 15.309 5.821 -4.016 1.00 0.73 H new ATOM 229 N SER A 17 14.199 4.548 -1.562 1.00 0.58 N ATOM 230 CA SER A 17 14.375 3.539 -0.531 1.00 0.61 C ATOM 231 C SER A 17 13.007 3.103 -0.005 1.00 0.55 C ATOM 232 O SER A 17 12.670 1.922 -0.011 1.00 0.72 O ATOM 233 CB SER A 17 15.280 4.058 0.594 1.00 0.72 C ATOM 234 OG SER A 17 15.681 2.989 1.429 1.00 2.18 O ATOM 0 H SER A 17 14.726 5.407 -1.402 1.00 0.58 H new ATOM 0 HA SER A 17 14.871 2.668 -0.960 1.00 0.61 H new ATOM 0 HB2 SER A 17 16.157 4.546 0.169 1.00 0.72 H new ATOM 0 HB3 SER A 17 14.750 4.808 1.180 1.00 0.72 H new ATOM 0 HG SER A 17 16.259 3.330 2.143 1.00 2.18 H new ATOM 240 N CYS A 18 12.193 4.071 0.412 1.00 0.46 N ATOM 241 CA CYS A 18 10.878 3.805 0.947 1.00 0.46 C ATOM 242 C CYS A 18 9.966 3.198 -0.118 1.00 0.46 C ATOM 243 O CYS A 18 9.236 2.253 0.176 1.00 0.57 O ATOM 244 CB CYS A 18 10.291 5.093 1.509 1.00 0.51 C ATOM 245 SG CYS A 18 11.323 5.949 2.731 1.00 0.68 S ATOM 0 H CYS A 18 12.436 5.061 0.384 1.00 0.46 H new ATOM 0 HA CYS A 18 10.961 3.075 1.753 1.00 0.46 H new ATOM 0 HB2 CYS A 18 10.096 5.775 0.681 1.00 0.51 H new ATOM 0 HB3 CYS A 18 9.329 4.864 1.967 1.00 0.51 H new ATOM 0 HG CYS A 18 11.609 7.141 2.298 1.00 0.68 H new ATOM 250 N VAL A 19 10.014 3.730 -1.346 1.00 0.41 N ATOM 251 CA VAL A 19 9.217 3.243 -2.463 1.00 0.40 C ATOM 252 C VAL A 19 9.372 1.736 -2.534 1.00 0.42 C ATOM 253 O VAL A 19 8.406 0.982 -2.401 1.00 0.42 O ATOM 254 CB VAL A 19 9.660 3.889 -3.794 1.00 0.44 C ATOM 255 CG1 VAL A 19 8.969 3.303 -5.036 1.00 0.55 C ATOM 256 CG2 VAL A 19 9.424 5.395 -3.773 1.00 0.49 C ATOM 0 H VAL A 19 10.615 4.518 -1.587 1.00 0.41 H new ATOM 0 HA VAL A 19 8.172 3.512 -2.305 1.00 0.40 H new ATOM 0 HB VAL A 19 10.723 3.664 -3.875 1.00 0.44 H new ATOM 0 HG11 VAL A 19 9.335 3.810 -5.929 1.00 0.55 H new ATOM 0 HG12 VAL A 19 9.190 2.238 -5.107 1.00 0.55 H new ATOM 0 HG13 VAL A 19 7.891 3.445 -4.954 1.00 0.55 H new ATOM 0 HG21 VAL A 19 9.744 5.827 -4.721 1.00 0.49 H new ATOM 0 HG22 VAL A 19 8.363 5.595 -3.623 1.00 0.49 H new ATOM 0 HG23 VAL A 19 9.996 5.842 -2.960 1.00 0.49 H new ATOM 266 N HIS A 20 10.615 1.303 -2.740 1.00 0.47 N ATOM 267 CA HIS A 20 10.883 -0.091 -2.950 1.00 0.53 C ATOM 268 C HIS A 20 10.680 -0.900 -1.666 1.00 0.55 C ATOM 269 O HIS A 20 10.260 -2.052 -1.756 1.00 0.61 O ATOM 270 CB HIS A 20 12.188 -0.255 -3.733 1.00 0.59 C ATOM 271 CG HIS A 20 13.495 0.209 -3.140 1.00 0.64 C ATOM 272 ND1 HIS A 20 14.572 0.649 -3.878 1.00 0.79 N ATOM 273 CD2 HIS A 20 13.927 0.047 -1.854 1.00 0.65 C ATOM 274 CE1 HIS A 20 15.623 0.752 -3.047 1.00 0.87 C ATOM 275 NE2 HIS A 20 15.284 0.382 -1.803 1.00 0.79 N ATOM 0 H HIS A 20 11.438 1.905 -2.763 1.00 0.47 H new ATOM 0 HA HIS A 20 10.146 -0.556 -3.605 1.00 0.53 H new ATOM 0 HB2 HIS A 20 12.296 -1.315 -3.962 1.00 0.59 H new ATOM 0 HB3 HIS A 20 12.062 0.265 -4.683 1.00 0.59 H new ATOM 0 HD2 HIS A 20 13.325 -0.283 -1.021 1.00 0.65 H new ATOM 0 HE1 HIS A 20 16.607 1.087 -3.341 1.00 0.87 H new ATOM 0 HE2 HIS A 20 15.893 0.351 -0.985 1.00 0.79 H new ATOM 283 N LYS A 21 10.875 -0.301 -0.480 1.00 0.56 N ATOM 284 CA LYS A 21 10.475 -0.895 0.781 1.00 0.66 C ATOM 285 C LYS A 21 9.009 -1.326 0.716 1.00 0.55 C ATOM 286 O LYS A 21 8.719 -2.510 0.880 1.00 0.60 O ATOM 287 CB LYS A 21 10.715 0.100 1.929 1.00 0.83 C ATOM 288 CG LYS A 21 11.062 -0.617 3.227 1.00 1.28 C ATOM 289 CD LYS A 21 11.044 0.397 4.382 1.00 2.03 C ATOM 290 CE LYS A 21 11.512 -0.206 5.713 1.00 2.74 C ATOM 291 NZ LYS A 21 11.345 0.752 6.829 1.00 3.97 N ATOM 0 H LYS A 21 11.317 0.613 -0.381 1.00 0.56 H new ATOM 0 HA LYS A 21 11.078 -1.783 0.971 1.00 0.66 H new ATOM 0 HB2 LYS A 21 11.524 0.779 1.660 1.00 0.83 H new ATOM 0 HB3 LYS A 21 9.823 0.709 2.076 1.00 0.83 H new ATOM 0 HG2 LYS A 21 10.346 -1.417 3.418 1.00 1.28 H new ATOM 0 HG3 LYS A 21 12.045 -1.081 3.149 1.00 1.28 H new ATOM 0 HD2 LYS A 21 11.683 1.242 4.127 1.00 2.03 H new ATOM 0 HD3 LYS A 21 10.033 0.787 4.501 1.00 2.03 H new ATOM 0 HE2 LYS A 21 10.945 -1.113 5.922 1.00 2.74 H new ATOM 0 HE3 LYS A 21 12.560 -0.496 5.634 1.00 2.74 H new ATOM 0 HZ1 LYS A 21 11.686 0.320 7.711 1.00 3.97 H new ATOM 0 HZ2 LYS A 21 11.892 1.614 6.631 1.00 3.97 H new ATOM 0 HZ3 LYS A 21 10.339 0.996 6.930 1.00 3.97 H new ATOM 305 N ILE A 22 8.085 -0.384 0.477 1.00 0.46 N ATOM 306 CA ILE A 22 6.671 -0.748 0.435 1.00 0.42 C ATOM 307 C ILE A 22 6.452 -1.724 -0.706 1.00 0.41 C ATOM 308 O ILE A 22 5.976 -2.832 -0.484 1.00 0.45 O ATOM 309 CB ILE A 22 5.714 0.451 0.289 1.00 0.50 C ATOM 310 CG1 ILE A 22 6.040 1.528 1.324 1.00 0.50 C ATOM 311 CG2 ILE A 22 4.267 -0.047 0.465 1.00 0.83 C ATOM 312 CD1 ILE A 22 5.025 2.670 1.384 1.00 0.69 C ATOM 0 H ILE A 22 8.286 0.603 0.315 1.00 0.46 H new ATOM 0 HA ILE A 22 6.432 -1.200 1.398 1.00 0.42 H new ATOM 0 HB ILE A 22 5.831 0.894 -0.700 1.00 0.50 H new ATOM 0 HG12 ILE A 22 6.104 1.063 2.308 1.00 0.50 H new ATOM 0 HG13 ILE A 22 7.023 1.943 1.102 1.00 0.50 H new ATOM 0 HG21 ILE A 22 3.579 0.792 0.364 1.00 0.83 H new ATOM 0 HG22 ILE A 22 4.044 -0.793 -0.297 1.00 0.83 H new ATOM 0 HG23 ILE A 22 4.153 -0.493 1.453 1.00 0.83 H new ATOM 0 HD11 ILE A 22 5.331 3.390 2.143 1.00 0.69 H new ATOM 0 HD12 ILE A 22 4.976 3.165 0.414 1.00 0.69 H new ATOM 0 HD13 ILE A 22 4.043 2.271 1.638 1.00 0.69 H new ATOM 324 N GLU A 23 6.775 -1.302 -1.925 1.00 0.45 N ATOM 325 CA GLU A 23 6.384 -2.010 -3.130 1.00 0.53 C ATOM 326 C GLU A 23 6.893 -3.453 -3.078 1.00 0.52 C ATOM 327 O GLU A 23 6.112 -4.402 -3.166 1.00 0.53 O ATOM 328 CB GLU A 23 6.871 -1.202 -4.341 1.00 0.78 C ATOM 329 CG GLU A 23 5.993 -1.374 -5.583 1.00 1.44 C ATOM 330 CD GLU A 23 6.248 -0.233 -6.559 1.00 1.47 C ATOM 331 OE1 GLU A 23 5.786 0.886 -6.237 1.00 2.56 O ATOM 332 OE2 GLU A 23 6.911 -0.491 -7.584 1.00 2.23 O ATOM 0 H GLU A 23 7.317 -0.456 -2.101 1.00 0.45 H new ATOM 0 HA GLU A 23 5.301 -2.094 -3.219 1.00 0.53 H new ATOM 0 HB2 GLU A 23 6.905 -0.146 -4.073 1.00 0.78 H new ATOM 0 HB3 GLU A 23 7.891 -1.503 -4.582 1.00 0.78 H new ATOM 0 HG2 GLU A 23 6.208 -2.329 -6.062 1.00 1.44 H new ATOM 0 HG3 GLU A 23 4.941 -1.391 -5.296 1.00 1.44 H new ATOM 339 N SER A 24 8.200 -3.622 -2.852 1.00 0.57 N ATOM 340 CA SER A 24 8.799 -4.943 -2.787 1.00 0.66 C ATOM 341 C SER A 24 8.212 -5.751 -1.629 1.00 0.65 C ATOM 342 O SER A 24 7.940 -6.935 -1.798 1.00 0.78 O ATOM 343 CB SER A 24 10.328 -4.848 -2.695 1.00 0.79 C ATOM 344 OG SER A 24 10.919 -6.075 -3.085 1.00 1.44 O ATOM 0 H SER A 24 8.857 -2.855 -2.712 1.00 0.57 H new ATOM 0 HA SER A 24 8.560 -5.472 -3.709 1.00 0.66 H new ATOM 0 HB2 SER A 24 10.689 -4.043 -3.335 1.00 0.79 H new ATOM 0 HB3 SER A 24 10.624 -4.602 -1.675 1.00 0.79 H new ATOM 0 HG SER A 24 11.894 -6.002 -3.024 1.00 1.44 H new ATOM 350 N SER A 25 8.019 -5.146 -0.450 1.00 0.56 N ATOM 351 CA SER A 25 7.514 -5.897 0.694 1.00 0.63 C ATOM 352 C SER A 25 6.076 -6.373 0.446 1.00 0.63 C ATOM 353 O SER A 25 5.758 -7.548 0.622 1.00 0.88 O ATOM 354 CB SER A 25 7.621 -5.039 1.956 1.00 0.67 C ATOM 355 OG SER A 25 7.260 -5.795 3.093 1.00 0.91 O ATOM 0 H SER A 25 8.202 -4.159 -0.270 1.00 0.56 H new ATOM 0 HA SER A 25 8.122 -6.791 0.835 1.00 0.63 H new ATOM 0 HB2 SER A 25 8.640 -4.667 2.066 1.00 0.67 H new ATOM 0 HB3 SER A 25 6.971 -4.168 1.868 1.00 0.67 H new ATOM 0 HG SER A 25 7.862 -5.578 3.835 1.00 0.91 H new ATOM 361 N LEU A 26 5.202 -5.452 0.040 1.00 0.50 N ATOM 362 CA LEU A 26 3.779 -5.705 -0.115 1.00 0.57 C ATOM 363 C LEU A 26 3.517 -6.669 -1.266 1.00 0.55 C ATOM 364 O LEU A 26 2.702 -7.579 -1.113 1.00 0.63 O ATOM 365 CB LEU A 26 3.020 -4.384 -0.305 1.00 0.82 C ATOM 366 CG LEU A 26 2.593 -3.705 1.009 1.00 1.12 C ATOM 367 CD1 LEU A 26 1.408 -4.423 1.666 1.00 2.22 C ATOM 368 CD2 LEU A 26 3.730 -3.567 2.028 1.00 1.86 C ATOM 0 H LEU A 26 5.472 -4.496 -0.193 1.00 0.50 H new ATOM 0 HA LEU A 26 3.411 -6.179 0.795 1.00 0.57 H new ATOM 0 HB2 LEU A 26 3.649 -3.695 -0.869 1.00 0.82 H new ATOM 0 HB3 LEU A 26 2.132 -4.572 -0.909 1.00 0.82 H new ATOM 0 HG LEU A 26 2.291 -2.700 0.715 1.00 1.12 H new ATOM 0 HD11 LEU A 26 1.139 -3.911 2.590 1.00 2.22 H new ATOM 0 HD12 LEU A 26 0.556 -4.416 0.986 1.00 2.22 H new ATOM 0 HD13 LEU A 26 1.685 -5.453 1.889 1.00 2.22 H new ATOM 0 HD21 LEU A 26 3.355 -3.080 2.928 1.00 1.86 H new ATOM 0 HD22 LEU A 26 4.112 -4.555 2.283 1.00 1.86 H new ATOM 0 HD23 LEU A 26 4.533 -2.967 1.599 1.00 1.86 H new ATOM 380 N THR A 27 4.182 -6.494 -2.415 1.00 0.66 N ATOM 381 CA THR A 27 4.053 -7.411 -3.545 1.00 0.88 C ATOM 382 C THR A 27 4.735 -8.760 -3.256 1.00 1.08 C ATOM 383 O THR A 27 5.724 -9.129 -3.888 1.00 1.79 O ATOM 384 CB THR A 27 4.534 -6.720 -4.830 1.00 1.31 C ATOM 385 OG1 THR A 27 3.920 -5.450 -4.917 1.00 2.84 O ATOM 386 CG2 THR A 27 4.147 -7.499 -6.092 1.00 1.24 C ATOM 0 H THR A 27 4.820 -5.716 -2.583 1.00 0.66 H new ATOM 0 HA THR A 27 3.003 -7.661 -3.700 1.00 0.88 H new ATOM 0 HB THR A 27 5.621 -6.655 -4.777 1.00 1.31 H new ATOM 0 HG1 THR A 27 4.438 -4.800 -4.397 1.00 2.84 H new ATOM 0 HG21 THR A 27 4.510 -6.969 -6.972 1.00 1.24 H new ATOM 0 HG22 THR A 27 4.593 -8.493 -6.057 1.00 1.24 H new ATOM 0 HG23 THR A 27 3.062 -7.590 -6.145 1.00 1.24 H new ATOM 394 N LYS A 28 4.189 -9.492 -2.282 1.00 1.05 N ATOM 395 CA LYS A 28 4.592 -10.811 -1.819 1.00 1.24 C ATOM 396 C LYS A 28 3.342 -11.553 -1.346 1.00 1.16 C ATOM 397 O LYS A 28 3.094 -12.680 -1.771 1.00 1.57 O ATOM 398 CB LYS A 28 5.601 -10.705 -0.662 1.00 1.43 C ATOM 399 CG LYS A 28 6.872 -9.921 -1.001 1.00 2.65 C ATOM 400 CD LYS A 28 7.798 -10.658 -1.979 1.00 4.45 C ATOM 401 CE LYS A 28 8.855 -9.679 -2.505 1.00 6.25 C ATOM 402 NZ LYS A 28 9.872 -10.335 -3.346 1.00 7.92 N ATOM 0 H LYS A 28 3.387 -9.143 -1.757 1.00 1.05 H new ATOM 0 HA LYS A 28 5.074 -11.349 -2.635 1.00 1.24 H new ATOM 0 HB2 LYS A 28 5.112 -10.230 0.188 1.00 1.43 H new ATOM 0 HB3 LYS A 28 5.882 -11.710 -0.348 1.00 1.43 H new ATOM 0 HG2 LYS A 28 6.593 -8.959 -1.431 1.00 2.65 H new ATOM 0 HG3 LYS A 28 7.418 -9.713 -0.081 1.00 2.65 H new ATOM 0 HD2 LYS A 28 8.280 -11.499 -1.480 1.00 4.45 H new ATOM 0 HD3 LYS A 28 7.220 -11.068 -2.807 1.00 4.45 H new ATOM 0 HE2 LYS A 28 8.363 -8.896 -3.082 1.00 6.25 H new ATOM 0 HE3 LYS A 28 9.346 -9.193 -1.662 1.00 6.25 H new ATOM 0 HZ1 LYS A 28 10.560 -9.628 -3.674 1.00 7.92 H new ATOM 0 HZ2 LYS A 28 10.363 -11.065 -2.791 1.00 7.92 H new ATOM 0 HZ3 LYS A 28 9.411 -10.776 -4.167 1.00 7.92 H new ATOM 416 N HIS A 29 2.546 -10.931 -0.465 1.00 0.89 N ATOM 417 CA HIS A 29 1.311 -11.545 -0.003 1.00 1.08 C ATOM 418 C HIS A 29 0.337 -11.650 -1.185 1.00 1.02 C ATOM 419 O HIS A 29 -0.095 -10.632 -1.721 1.00 1.31 O ATOM 420 CB HIS A 29 0.735 -10.820 1.225 1.00 1.37 C ATOM 421 CG HIS A 29 0.132 -9.462 0.981 1.00 0.91 C ATOM 422 ND1 HIS A 29 -1.181 -9.223 0.643 1.00 1.57 N ATOM 423 CD2 HIS A 29 0.734 -8.251 1.190 1.00 0.88 C ATOM 424 CE1 HIS A 29 -1.357 -7.893 0.633 1.00 2.13 C ATOM 425 NE2 HIS A 29 -0.223 -7.258 0.965 1.00 1.65 N ATOM 0 H HIS A 29 2.740 -10.012 -0.066 1.00 0.89 H new ATOM 0 HA HIS A 29 1.507 -12.557 0.352 1.00 1.08 H new ATOM 0 HB2 HIS A 29 -0.029 -11.457 1.671 1.00 1.37 H new ATOM 0 HB3 HIS A 29 1.531 -10.713 1.962 1.00 1.37 H new ATOM 0 HD1 HIS A 29 -1.890 -9.927 0.438 1.00 1.57 H new ATOM 0 HD2 HIS A 29 1.763 -8.092 1.477 1.00 0.88 H new ATOM 0 HE1 HIS A 29 -2.287 -7.400 0.390 1.00 2.13 H new ATOM 433 N ARG A 30 0.007 -12.879 -1.600 1.00 1.37 N ATOM 434 CA ARG A 30 -0.766 -13.164 -2.811 1.00 1.73 C ATOM 435 C ARG A 30 -2.043 -12.329 -2.933 1.00 1.76 C ATOM 436 O ARG A 30 -2.492 -12.053 -4.040 1.00 3.45 O ATOM 437 CB ARG A 30 -1.139 -14.651 -2.871 1.00 2.32 C ATOM 438 CG ARG A 30 0.067 -15.563 -3.121 1.00 2.95 C ATOM 439 CD ARG A 30 -0.428 -17.000 -3.326 1.00 3.46 C ATOM 440 NE ARG A 30 0.674 -17.910 -3.676 1.00 4.68 N ATOM 441 CZ ARG A 30 0.515 -19.198 -4.024 1.00 5.62 C ATOM 442 NH1 ARG A 30 -0.709 -19.739 -4.027 1.00 5.53 N ATOM 443 NH2 ARG A 30 1.576 -19.935 -4.368 1.00 7.02 N ATOM 0 H ARG A 30 0.277 -13.720 -1.091 1.00 1.37 H new ATOM 0 HA ARG A 30 -0.118 -12.894 -3.645 1.00 1.73 H new ATOM 0 HB2 ARG A 30 -1.616 -14.938 -1.934 1.00 2.32 H new ATOM 0 HB3 ARG A 30 -1.873 -14.804 -3.662 1.00 2.32 H new ATOM 0 HG2 ARG A 30 0.618 -15.226 -3.999 1.00 2.95 H new ATOM 0 HG3 ARG A 30 0.754 -15.518 -2.276 1.00 2.95 H new ATOM 0 HD2 ARG A 30 -0.915 -17.351 -2.416 1.00 3.46 H new ATOM 0 HD3 ARG A 30 -1.179 -17.017 -4.116 1.00 3.46 H new ATOM 0 HE ARG A 30 1.623 -17.538 -3.653 1.00 4.68 H new ATOM 0 HH11 ARG A 30 -1.517 -19.174 -3.766 1.00 5.53 H new ATOM 0 HH12 ARG A 30 -0.834 -20.716 -4.291 1.00 5.53 H new ATOM 0 HH21 ARG A 30 2.508 -19.520 -4.366 1.00 7.02 H new ATOM 0 HH22 ARG A 30 1.454 -20.913 -4.632 1.00 7.02 H new ATOM 457 N GLY A 31 -2.648 -11.962 -1.801 1.00 0.67 N ATOM 458 CA GLY A 31 -3.837 -11.130 -1.782 1.00 0.85 C ATOM 459 C GLY A 31 -3.662 -9.812 -2.536 1.00 0.65 C ATOM 460 O GLY A 31 -4.630 -9.320 -3.112 1.00 0.70 O ATOM 0 H GLY A 31 -2.321 -12.237 -0.875 1.00 0.67 H new ATOM 0 HA2 GLY A 31 -4.667 -11.684 -2.220 1.00 0.85 H new ATOM 0 HA3 GLY A 31 -4.107 -10.916 -0.748 1.00 0.85 H new ATOM 464 N ILE A 32 -2.451 -9.236 -2.528 1.00 0.65 N ATOM 465 CA ILE A 32 -2.130 -8.118 -3.400 1.00 0.56 C ATOM 466 C ILE A 32 -1.855 -8.701 -4.779 1.00 0.64 C ATOM 467 O ILE A 32 -0.986 -9.560 -4.929 1.00 0.85 O ATOM 468 CB ILE A 32 -0.956 -7.275 -2.844 1.00 0.57 C ATOM 469 CG1 ILE A 32 -1.513 -5.903 -2.431 1.00 0.82 C ATOM 470 CG2 ILE A 32 0.218 -7.068 -3.816 1.00 1.02 C ATOM 471 CD1 ILE A 32 -0.471 -5.041 -1.720 1.00 2.00 C ATOM 0 H ILE A 32 -1.684 -9.532 -1.924 1.00 0.65 H new ATOM 0 HA ILE A 32 -2.961 -7.415 -3.461 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.542 -7.835 -2.006 1.00 0.57 H new ATOM 0 HG12 ILE A 32 -1.872 -5.378 -3.316 1.00 0.82 H new ATOM 0 HG13 ILE A 32 -2.372 -6.045 -1.775 1.00 0.82 H new ATOM 0 HG21 ILE A 32 0.988 -6.466 -3.334 1.00 1.02 H new ATOM 0 HG22 ILE A 32 0.635 -8.036 -4.094 1.00 1.02 H new ATOM 0 HG23 ILE A 32 -0.136 -6.555 -4.710 1.00 1.02 H new ATOM 0 HD11 ILE A 32 -0.915 -4.083 -1.449 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -0.131 -5.551 -0.819 1.00 2.00 H new ATOM 0 HD13 ILE A 32 0.377 -4.873 -2.384 1.00 2.00 H new ATOM 483 N LEU A 33 -2.585 -8.218 -5.783 1.00 0.63 N ATOM 484 CA LEU A 33 -2.310 -8.549 -7.168 1.00 0.72 C ATOM 485 C LEU A 33 -1.460 -7.453 -7.813 1.00 0.74 C ATOM 486 O LEU A 33 -0.791 -7.722 -8.809 1.00 0.91 O ATOM 487 CB LEU A 33 -3.590 -8.903 -7.938 1.00 0.97 C ATOM 488 CG LEU A 33 -4.630 -7.780 -8.057 1.00 1.17 C ATOM 489 CD1 LEU A 33 -5.360 -7.906 -9.399 1.00 1.68 C ATOM 490 CD2 LEU A 33 -5.669 -7.883 -6.936 1.00 2.45 C ATOM 0 H LEU A 33 -3.378 -7.590 -5.654 1.00 0.63 H new ATOM 0 HA LEU A 33 -1.713 -9.460 -7.208 1.00 0.72 H new ATOM 0 HB2 LEU A 33 -3.311 -9.222 -8.942 1.00 0.97 H new ATOM 0 HB3 LEU A 33 -4.060 -9.758 -7.451 1.00 0.97 H new ATOM 0 HG LEU A 33 -4.112 -6.824 -7.985 1.00 1.17 H new ATOM 0 HD11 LEU A 33 -6.099 -7.110 -9.487 1.00 1.68 H new ATOM 0 HD12 LEU A 33 -4.640 -7.825 -10.214 1.00 1.68 H new ATOM 0 HD13 LEU A 33 -5.860 -8.873 -9.452 1.00 1.68 H new ATOM 0 HD21 LEU A 33 -6.396 -7.078 -7.039 1.00 2.45 H new ATOM 0 HD22 LEU A 33 -6.180 -8.844 -7.000 1.00 2.45 H new ATOM 0 HD23 LEU A 33 -5.171 -7.801 -5.970 1.00 2.45 H new ATOM 502 N TYR A 34 -1.433 -6.232 -7.252 1.00 0.70 N ATOM 503 CA TYR A 34 -0.477 -5.220 -7.682 1.00 0.74 C ATOM 504 C TYR A 34 -0.237 -4.218 -6.556 1.00 0.67 C ATOM 505 O TYR A 34 -1.080 -4.067 -5.669 1.00 0.99 O ATOM 506 CB TYR A 34 -1.015 -4.520 -8.937 1.00 1.01 C ATOM 507 CG TYR A 34 -0.069 -3.574 -9.652 1.00 1.06 C ATOM 508 CD1 TYR A 34 1.180 -4.036 -10.108 1.00 1.65 C ATOM 509 CD2 TYR A 34 -0.516 -2.293 -10.027 1.00 2.13 C ATOM 510 CE1 TYR A 34 1.982 -3.218 -10.921 1.00 1.86 C ATOM 511 CE2 TYR A 34 0.257 -1.503 -10.892 1.00 2.29 C ATOM 512 CZ TYR A 34 1.515 -1.954 -11.322 1.00 1.61 C ATOM 513 OH TYR A 34 2.243 -1.201 -12.195 1.00 2.06 O ATOM 0 H TYR A 34 -2.061 -5.932 -6.506 1.00 0.70 H new ATOM 0 HA TYR A 34 0.477 -5.689 -7.923 1.00 0.74 H new ATOM 0 HB2 TYR A 34 -1.328 -5.287 -9.646 1.00 1.01 H new ATOM 0 HB3 TYR A 34 -1.908 -3.961 -8.657 1.00 1.01 H new ATOM 0 HD1 TYR A 34 1.523 -5.022 -9.832 1.00 1.65 H new ATOM 0 HD2 TYR A 34 -1.455 -1.917 -9.649 1.00 2.13 H new ATOM 0 HE1 TYR A 34 2.956 -3.560 -11.238 1.00 1.86 H new ATOM 0 HE2 TYR A 34 -0.117 -0.547 -11.227 1.00 2.29 H new ATOM 0 HH TYR A 34 1.776 -0.356 -12.367 1.00 2.06 H new ATOM 523 N CYS A 35 0.898 -3.521 -6.612 1.00 0.52 N ATOM 524 CA CYS A 35 1.175 -2.332 -5.825 1.00 0.46 C ATOM 525 C CYS A 35 1.883 -1.351 -6.749 1.00 0.55 C ATOM 526 O CYS A 35 2.622 -1.781 -7.637 1.00 0.89 O ATOM 527 CB CYS A 35 2.092 -2.651 -4.640 1.00 0.57 C ATOM 528 SG CYS A 35 2.295 -1.156 -3.650 1.00 2.06 S ATOM 0 H CYS A 35 1.670 -3.781 -7.227 1.00 0.52 H new ATOM 0 HA CYS A 35 0.246 -1.925 -5.426 1.00 0.46 H new ATOM 0 HB2 CYS A 35 1.664 -3.450 -4.035 1.00 0.57 H new ATOM 0 HB3 CYS A 35 3.060 -3.004 -4.995 1.00 0.57 H new ATOM 0 HG CYS A 35 3.070 -1.408 -2.637 1.00 2.06 H new ATOM 534 N SER A 36 1.670 -0.051 -6.568 1.00 0.48 N ATOM 535 CA SER A 36 2.582 0.967 -7.057 1.00 0.67 C ATOM 536 C SER A 36 2.572 2.113 -6.055 1.00 0.53 C ATOM 537 O SER A 36 1.493 2.640 -5.781 1.00 0.64 O ATOM 538 CB SER A 36 2.151 1.447 -8.444 1.00 1.04 C ATOM 539 OG SER A 36 2.081 0.355 -9.336 1.00 2.12 O ATOM 0 H SER A 36 0.858 0.322 -6.077 1.00 0.48 H new ATOM 0 HA SER A 36 3.591 0.565 -7.154 1.00 0.67 H new ATOM 0 HB2 SER A 36 1.180 1.938 -8.382 1.00 1.04 H new ATOM 0 HB3 SER A 36 2.859 2.187 -8.818 1.00 1.04 H new ATOM 0 HG SER A 36 1.143 0.157 -9.538 1.00 2.12 H new ATOM 545 N VAL A 37 3.721 2.495 -5.492 1.00 0.50 N ATOM 546 CA VAL A 37 3.800 3.638 -4.593 1.00 0.43 C ATOM 547 C VAL A 37 4.582 4.786 -5.232 1.00 0.50 C ATOM 548 O VAL A 37 5.444 4.562 -6.079 1.00 0.71 O ATOM 549 CB VAL A 37 4.342 3.209 -3.221 1.00 0.54 C ATOM 550 CG1 VAL A 37 3.704 1.914 -2.724 1.00 1.77 C ATOM 551 CG2 VAL A 37 5.842 2.956 -3.238 1.00 1.70 C ATOM 0 H VAL A 37 4.612 2.023 -5.647 1.00 0.50 H new ATOM 0 HA VAL A 37 2.797 4.026 -4.417 1.00 0.43 H new ATOM 0 HB VAL A 37 4.098 4.044 -2.564 1.00 0.54 H new ATOM 0 HG11 VAL A 37 4.120 1.653 -1.751 1.00 1.77 H new ATOM 0 HG12 VAL A 37 2.626 2.051 -2.633 1.00 1.77 H new ATOM 0 HG13 VAL A 37 3.909 1.112 -3.433 1.00 1.77 H new ATOM 0 HG21 VAL A 37 6.172 2.656 -2.243 1.00 1.70 H new ATOM 0 HG22 VAL A 37 6.069 2.163 -3.950 1.00 1.70 H new ATOM 0 HG23 VAL A 37 6.361 3.868 -3.533 1.00 1.70 H new ATOM 561 N ALA A 38 4.274 6.028 -4.842 1.00 0.58 N ATOM 562 CA ALA A 38 4.968 7.207 -5.345 1.00 0.65 C ATOM 563 C ALA A 38 5.066 8.298 -4.286 1.00 0.63 C ATOM 564 O ALA A 38 4.072 8.662 -3.659 1.00 0.60 O ATOM 565 CB ALA A 38 4.268 7.779 -6.574 1.00 0.70 C ATOM 0 H ALA A 38 3.537 6.238 -4.169 1.00 0.58 H new ATOM 0 HA ALA A 38 5.972 6.881 -5.616 1.00 0.65 H new ATOM 0 HB1 ALA A 38 4.810 8.657 -6.925 1.00 0.70 H new ATOM 0 HB2 ALA A 38 4.245 7.027 -7.363 1.00 0.70 H new ATOM 0 HB3 ALA A 38 3.248 8.062 -6.313 1.00 0.70 H new ATOM 571 N LEU A 39 6.266 8.861 -4.153 1.00 0.68 N ATOM 572 CA LEU A 39 6.570 9.935 -3.216 1.00 0.69 C ATOM 573 C LEU A 39 5.894 11.241 -3.627 1.00 0.65 C ATOM 574 O LEU A 39 5.563 12.049 -2.766 1.00 0.69 O ATOM 575 CB LEU A 39 8.088 10.064 -3.023 1.00 0.91 C ATOM 576 CG LEU A 39 8.848 10.529 -4.278 1.00 1.16 C ATOM 577 CD1 LEU A 39 9.055 12.049 -4.269 1.00 2.14 C ATOM 578 CD2 LEU A 39 10.223 9.855 -4.322 1.00 1.74 C ATOM 0 H LEU A 39 7.072 8.574 -4.709 1.00 0.68 H new ATOM 0 HA LEU A 39 6.152 9.684 -2.241 1.00 0.69 H new ATOM 0 HB2 LEU A 39 8.281 10.768 -2.214 1.00 0.91 H new ATOM 0 HB3 LEU A 39 8.486 9.099 -2.708 1.00 0.91 H new ATOM 0 HG LEU A 39 8.255 10.255 -5.151 1.00 1.16 H new ATOM 0 HD11 LEU A 39 9.595 12.348 -5.168 1.00 2.14 H new ATOM 0 HD12 LEU A 39 8.086 12.548 -4.244 1.00 2.14 H new ATOM 0 HD13 LEU A 39 9.632 12.332 -3.388 1.00 2.14 H new ATOM 0 HD21 LEU A 39 10.761 10.184 -5.211 1.00 1.74 H new ATOM 0 HD22 LEU A 39 10.791 10.128 -3.432 1.00 1.74 H new ATOM 0 HD23 LEU A 39 10.097 8.773 -4.354 1.00 1.74 H new ATOM 590 N ALA A 40 5.641 11.418 -4.931 1.00 0.71 N ATOM 591 CA ALA A 40 5.016 12.597 -5.527 1.00 0.85 C ATOM 592 C ALA A 40 3.844 13.142 -4.702 1.00 0.74 C ATOM 593 O ALA A 40 3.685 14.353 -4.581 1.00 0.90 O ATOM 594 CB ALA A 40 4.559 12.261 -6.949 1.00 1.12 C ATOM 0 H ALA A 40 5.878 10.710 -5.626 1.00 0.71 H new ATOM 0 HA ALA A 40 5.765 13.388 -5.547 1.00 0.85 H new ATOM 0 HB1 ALA A 40 4.092 13.138 -7.398 1.00 1.12 H new ATOM 0 HB2 ALA A 40 5.420 11.962 -7.547 1.00 1.12 H new ATOM 0 HB3 ALA A 40 3.839 11.443 -6.916 1.00 1.12 H new ATOM 600 N THR A 41 3.029 12.250 -4.134 1.00 0.68 N ATOM 601 CA THR A 41 2.034 12.616 -3.130 1.00 0.87 C ATOM 602 C THR A 41 1.950 11.540 -2.054 1.00 0.66 C ATOM 603 O THR A 41 0.871 11.247 -1.540 1.00 0.76 O ATOM 604 CB THR A 41 0.705 12.939 -3.814 1.00 1.40 C ATOM 605 OG1 THR A 41 -0.288 13.293 -2.875 1.00 2.73 O ATOM 606 CG2 THR A 41 0.173 11.828 -4.716 1.00 1.56 C ATOM 0 H THR A 41 3.042 11.255 -4.359 1.00 0.68 H new ATOM 0 HA THR A 41 2.330 13.525 -2.607 1.00 0.87 H new ATOM 0 HB THR A 41 0.931 13.789 -4.458 1.00 1.40 H new ATOM 0 HG1 THR A 41 -0.225 12.704 -2.094 1.00 2.73 H new ATOM 0 HG21 THR A 41 -0.772 12.141 -5.160 1.00 1.56 H new ATOM 0 HG22 THR A 41 0.895 11.624 -5.506 1.00 1.56 H new ATOM 0 HG23 THR A 41 0.015 10.925 -4.126 1.00 1.56 H new ATOM 614 N ASN A 42 3.119 10.976 -1.745 1.00 0.61 N ATOM 615 CA ASN A 42 3.365 9.893 -0.791 1.00 0.56 C ATOM 616 C ASN A 42 2.188 8.918 -0.776 1.00 0.50 C ATOM 617 O ASN A 42 1.554 8.698 0.255 1.00 0.53 O ATOM 618 CB ASN A 42 3.692 10.453 0.600 1.00 0.74 C ATOM 619 CG ASN A 42 4.836 11.463 0.574 1.00 0.89 C ATOM 620 OD1 ASN A 42 4.597 12.663 0.668 1.00 1.64 O ATOM 621 ND2 ASN A 42 6.087 11.020 0.458 1.00 1.56 N ATOM 0 H ASN A 42 3.983 11.288 -2.188 1.00 0.61 H new ATOM 0 HA ASN A 42 4.241 9.329 -1.111 1.00 0.56 H new ATOM 0 HB2 ASN A 42 2.803 10.928 1.014 1.00 0.74 H new ATOM 0 HB3 ASN A 42 3.954 9.631 1.266 1.00 0.74 H new ATOM 0 HD21 ASN A 42 6.863 11.682 0.446 1.00 1.56 H new ATOM 0 HD22 ASN A 42 6.269 10.019 0.381 1.00 1.56 H new ATOM 628 N LYS A 43 1.871 8.372 -1.951 1.00 0.52 N ATOM 629 CA LYS A 43 0.700 7.547 -2.176 1.00 0.52 C ATOM 630 C LYS A 43 1.114 6.106 -2.428 1.00 0.46 C ATOM 631 O LYS A 43 2.209 5.861 -2.933 1.00 0.78 O ATOM 632 CB LYS A 43 -0.140 8.111 -3.330 1.00 0.84 C ATOM 633 CG LYS A 43 0.586 8.165 -4.688 1.00 2.21 C ATOM 634 CD LYS A 43 -0.390 7.957 -5.858 1.00 1.95 C ATOM 635 CE LYS A 43 -1.525 8.993 -5.910 1.00 1.59 C ATOM 636 NZ LYS A 43 -2.565 8.607 -6.886 1.00 1.73 N ATOM 0 H LYS A 43 2.440 8.499 -2.788 1.00 0.52 H new ATOM 0 HA LYS A 43 0.076 7.560 -1.282 1.00 0.52 H new ATOM 0 HB2 LYS A 43 -1.039 7.504 -3.438 1.00 0.84 H new ATOM 0 HB3 LYS A 43 -0.465 9.118 -3.067 1.00 0.84 H new ATOM 0 HG2 LYS A 43 1.086 9.128 -4.796 1.00 2.21 H new ATOM 0 HG3 LYS A 43 1.361 7.399 -4.718 1.00 2.21 H new ATOM 0 HD2 LYS A 43 0.167 7.994 -6.794 1.00 1.95 H new ATOM 0 HD3 LYS A 43 -0.824 6.960 -5.784 1.00 1.95 H new ATOM 0 HE2 LYS A 43 -1.972 9.095 -4.921 1.00 1.59 H new ATOM 0 HE3 LYS A 43 -1.117 9.968 -6.177 1.00 1.59 H new ATOM 0 HZ1 LYS A 43 -3.505 8.728 -6.458 1.00 1.73 H new ATOM 0 HZ2 LYS A 43 -2.489 9.209 -7.730 1.00 1.73 H new ATOM 0 HZ3 LYS A 43 -2.434 7.612 -7.158 1.00 1.73 H new ATOM 650 N ALA A 44 0.223 5.172 -2.109 1.00 0.40 N ATOM 651 CA ALA A 44 0.353 3.766 -2.426 1.00 0.43 C ATOM 652 C ALA A 44 -0.963 3.296 -3.032 1.00 0.45 C ATOM 653 O ALA A 44 -1.995 3.293 -2.358 1.00 0.58 O ATOM 654 CB ALA A 44 0.751 2.995 -1.171 1.00 0.56 C ATOM 0 H ALA A 44 -0.637 5.388 -1.605 1.00 0.40 H new ATOM 0 HA ALA A 44 1.141 3.587 -3.158 1.00 0.43 H new ATOM 0 HB1 ALA A 44 0.849 1.936 -1.410 1.00 0.56 H new ATOM 0 HB2 ALA A 44 1.703 3.372 -0.799 1.00 0.56 H new ATOM 0 HB3 ALA A 44 -0.015 3.125 -0.406 1.00 0.56 H new ATOM 660 N HIS A 45 -0.919 2.942 -4.319 1.00 0.44 N ATOM 661 CA HIS A 45 -1.997 2.390 -5.079 1.00 0.53 C ATOM 662 C HIS A 45 -1.781 0.896 -4.913 1.00 0.47 C ATOM 663 O HIS A 45 -0.932 0.305 -5.582 1.00 0.61 O ATOM 664 CB HIS A 45 -1.830 2.909 -6.511 1.00 0.87 C ATOM 665 CG HIS A 45 -2.549 2.174 -7.602 1.00 0.82 C ATOM 666 ND1 HIS A 45 -2.259 2.332 -8.934 1.00 1.61 N ATOM 667 CD2 HIS A 45 -3.408 1.113 -7.480 1.00 1.10 C ATOM 668 CE1 HIS A 45 -2.929 1.389 -9.604 1.00 2.13 C ATOM 669 NE2 HIS A 45 -3.647 0.626 -8.767 1.00 1.78 N ATOM 0 H HIS A 45 -0.070 3.047 -4.874 1.00 0.44 H new ATOM 0 HA HIS A 45 -3.013 2.652 -4.782 1.00 0.53 H new ATOM 0 HB2 HIS A 45 -2.158 3.948 -6.533 1.00 0.87 H new ATOM 0 HB3 HIS A 45 -0.766 2.906 -6.748 1.00 0.87 H new ATOM 0 HD1 HIS A 45 -1.645 3.039 -9.338 1.00 1.61 H new ATOM 0 HD2 HIS A 45 -3.822 0.726 -6.561 1.00 1.10 H new ATOM 0 HE1 HIS A 45 -2.896 1.259 -10.676 1.00 2.13 H new ATOM 677 N ILE A 46 -2.517 0.310 -3.978 1.00 0.50 N ATOM 678 CA ILE A 46 -2.537 -1.119 -3.751 1.00 0.45 C ATOM 679 C ILE A 46 -3.720 -1.655 -4.544 1.00 0.52 C ATOM 680 O ILE A 46 -4.775 -1.017 -4.579 1.00 0.89 O ATOM 681 CB ILE A 46 -2.671 -1.391 -2.242 1.00 0.50 C ATOM 682 CG1 ILE A 46 -1.304 -1.440 -1.543 1.00 0.52 C ATOM 683 CG2 ILE A 46 -3.383 -2.712 -1.960 1.00 0.91 C ATOM 684 CD1 ILE A 46 -0.577 -0.103 -1.550 1.00 1.18 C ATOM 0 H ILE A 46 -3.127 0.830 -3.347 1.00 0.50 H new ATOM 0 HA ILE A 46 -1.621 -1.613 -4.077 1.00 0.45 H new ATOM 0 HB ILE A 46 -3.259 -0.561 -1.850 1.00 0.50 H new ATOM 0 HG12 ILE A 46 -1.442 -1.765 -0.512 1.00 0.52 H new ATOM 0 HG13 ILE A 46 -0.680 -2.188 -2.032 1.00 0.52 H new ATOM 0 HG21 ILE A 46 -3.456 -2.864 -0.883 1.00 0.91 H new ATOM 0 HG22 ILE A 46 -4.384 -2.685 -2.391 1.00 0.91 H new ATOM 0 HG23 ILE A 46 -2.819 -3.532 -2.404 1.00 0.91 H new ATOM 0 HD11 ILE A 46 0.381 -0.207 -1.041 1.00 1.18 H new ATOM 0 HD12 ILE A 46 -0.408 0.214 -2.579 1.00 1.18 H new ATOM 0 HD13 ILE A 46 -1.182 0.643 -1.035 1.00 1.18 H new ATOM 696 N LYS A 47 -3.559 -2.826 -5.163 1.00 0.49 N ATOM 697 CA LYS A 47 -4.676 -3.553 -5.720 1.00 0.62 C ATOM 698 C LYS A 47 -4.714 -4.931 -5.080 1.00 0.61 C ATOM 699 O LYS A 47 -3.778 -5.712 -5.282 1.00 0.68 O ATOM 700 CB LYS A 47 -4.550 -3.657 -7.231 1.00 0.72 C ATOM 701 CG LYS A 47 -4.199 -2.328 -7.905 1.00 0.67 C ATOM 702 CD LYS A 47 -4.775 -2.315 -9.335 1.00 0.98 C ATOM 703 CE LYS A 47 -4.575 -3.582 -10.187 1.00 2.26 C ATOM 704 NZ LYS A 47 -5.695 -4.547 -10.095 1.00 3.28 N ATOM 0 H LYS A 47 -2.656 -3.284 -5.286 1.00 0.49 H new ATOM 0 HA LYS A 47 -5.606 -3.025 -5.510 1.00 0.62 H new ATOM 0 HB2 LYS A 47 -3.784 -4.393 -7.474 1.00 0.72 H new ATOM 0 HB3 LYS A 47 -5.489 -4.027 -7.642 1.00 0.72 H new ATOM 0 HG2 LYS A 47 -4.605 -1.496 -7.329 1.00 0.67 H new ATOM 0 HG3 LYS A 47 -3.117 -2.197 -7.935 1.00 0.67 H new ATOM 0 HD2 LYS A 47 -5.845 -2.120 -9.266 1.00 0.98 H new ATOM 0 HD3 LYS A 47 -4.332 -1.475 -9.870 1.00 0.98 H new ATOM 0 HE2 LYS A 47 -4.443 -3.291 -11.229 1.00 2.26 H new ATOM 0 HE3 LYS A 47 -3.655 -4.077 -9.875 1.00 2.26 H new ATOM 0 HZ1 LYS A 47 -5.764 -5.085 -10.983 1.00 3.28 H new ATOM 0 HZ2 LYS A 47 -5.525 -5.202 -9.305 1.00 3.28 H new ATOM 0 HZ3 LYS A 47 -6.584 -4.032 -9.932 1.00 3.28 H new ATOM 718 N TYR A 48 -5.766 -5.211 -4.304 1.00 0.79 N ATOM 719 CA TYR A 48 -5.920 -6.479 -3.615 1.00 0.71 C ATOM 720 C TYR A 48 -7.258 -7.132 -3.927 1.00 0.71 C ATOM 721 O TYR A 48 -8.229 -6.432 -4.193 1.00 0.93 O ATOM 722 CB TYR A 48 -5.700 -6.311 -2.106 1.00 0.76 C ATOM 723 CG TYR A 48 -6.709 -5.472 -1.336 1.00 0.87 C ATOM 724 CD1 TYR A 48 -8.013 -5.941 -1.086 1.00 2.02 C ATOM 725 CD2 TYR A 48 -6.277 -4.301 -0.697 1.00 1.95 C ATOM 726 CE1 TYR A 48 -8.909 -5.172 -0.323 1.00 2.06 C ATOM 727 CE2 TYR A 48 -7.157 -3.546 0.094 1.00 2.10 C ATOM 728 CZ TYR A 48 -8.491 -3.951 0.230 1.00 1.23 C ATOM 729 OH TYR A 48 -9.373 -3.163 0.903 1.00 1.44 O ATOM 0 H TYR A 48 -6.532 -4.557 -4.141 1.00 0.79 H new ATOM 0 HA TYR A 48 -5.150 -7.156 -3.986 1.00 0.71 H new ATOM 0 HB2 TYR A 48 -5.677 -7.304 -1.657 1.00 0.76 H new ATOM 0 HB3 TYR A 48 -4.714 -5.871 -1.957 1.00 0.76 H new ATOM 0 HD1 TYR A 48 -8.326 -6.896 -1.482 1.00 2.02 H new ATOM 0 HD2 TYR A 48 -5.254 -3.976 -0.815 1.00 1.95 H new ATOM 0 HE1 TYR A 48 -9.919 -5.520 -0.162 1.00 2.06 H new ATOM 0 HE2 TYR A 48 -6.807 -2.656 0.596 1.00 2.10 H new ATOM 0 HH TYR A 48 -10.255 -3.591 0.910 1.00 1.44 H new ATOM 739 N ASP A 49 -7.323 -8.465 -3.855 1.00 0.58 N ATOM 740 CA ASP A 49 -8.577 -9.199 -3.997 1.00 0.67 C ATOM 741 C ASP A 49 -9.350 -9.111 -2.674 1.00 0.64 C ATOM 742 O ASP A 49 -8.868 -9.633 -1.668 1.00 0.62 O ATOM 743 CB ASP A 49 -8.298 -10.661 -4.370 1.00 0.81 C ATOM 744 CG ASP A 49 -7.796 -10.794 -5.800 1.00 1.65 C ATOM 745 OD1 ASP A 49 -8.550 -10.370 -6.703 1.00 2.83 O ATOM 746 OD2 ASP A 49 -6.667 -11.301 -5.966 1.00 2.21 O ATOM 0 H ASP A 49 -6.510 -9.060 -3.697 1.00 0.58 H new ATOM 0 HA ASP A 49 -9.176 -8.761 -4.796 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -7.558 -11.076 -3.685 1.00 0.81 H new ATOM 0 HB3 ASP A 49 -9.209 -11.247 -4.249 1.00 0.81 H new ATOM 751 N PRO A 50 -10.518 -8.442 -2.617 1.00 0.83 N ATOM 752 CA PRO A 50 -11.219 -8.145 -1.373 1.00 0.97 C ATOM 753 C PRO A 50 -11.974 -9.383 -0.881 1.00 0.98 C ATOM 754 O PRO A 50 -13.205 -9.403 -0.861 1.00 1.35 O ATOM 755 CB PRO A 50 -12.155 -6.983 -1.728 1.00 1.26 C ATOM 756 CG PRO A 50 -12.526 -7.292 -3.178 1.00 1.28 C ATOM 757 CD PRO A 50 -11.208 -7.829 -3.737 1.00 1.05 C ATOM 0 HA PRO A 50 -10.552 -7.872 -0.555 1.00 0.97 H new ATOM 0 HB2 PRO A 50 -13.032 -6.956 -1.081 1.00 1.26 H new ATOM 0 HB3 PRO A 50 -11.658 -6.017 -1.633 1.00 1.26 H new ATOM 0 HG2 PRO A 50 -13.328 -8.027 -3.246 1.00 1.28 H new ATOM 0 HG3 PRO A 50 -12.863 -6.403 -3.711 1.00 1.28 H new ATOM 0 HD2 PRO A 50 -11.388 -8.556 -4.529 1.00 1.05 H new ATOM 0 HD3 PRO A 50 -10.612 -7.026 -4.170 1.00 1.05 H new ATOM 765 N GLU A 51 -11.221 -10.423 -0.521 1.00 1.03 N ATOM 766 CA GLU A 51 -11.729 -11.748 -0.213 1.00 1.04 C ATOM 767 C GLU A 51 -10.986 -12.286 1.012 1.00 0.97 C ATOM 768 O GLU A 51 -11.543 -12.351 2.104 1.00 1.47 O ATOM 769 CB GLU A 51 -11.580 -12.649 -1.456 1.00 1.33 C ATOM 770 CG GLU A 51 -12.195 -11.990 -2.700 1.00 1.93 C ATOM 771 CD GLU A 51 -12.182 -12.900 -3.920 1.00 2.41 C ATOM 772 OE1 GLU A 51 -12.453 -14.104 -3.739 1.00 3.20 O ATOM 773 OE2 GLU A 51 -11.961 -12.347 -5.022 1.00 3.18 O ATOM 0 H GLU A 51 -10.207 -10.357 -0.435 1.00 1.03 H new ATOM 0 HA GLU A 51 -12.790 -11.722 0.035 1.00 1.04 H new ATOM 0 HB2 GLU A 51 -10.524 -12.854 -1.635 1.00 1.33 H new ATOM 0 HB3 GLU A 51 -12.064 -13.608 -1.273 1.00 1.33 H new ATOM 0 HG2 GLU A 51 -13.222 -11.700 -2.481 1.00 1.93 H new ATOM 0 HG3 GLU A 51 -11.647 -11.076 -2.929 1.00 1.93 H new ATOM 780 N ILE A 52 -9.715 -12.653 0.827 1.00 0.80 N ATOM 781 CA ILE A 52 -8.856 -13.183 1.881 1.00 0.88 C ATOM 782 C ILE A 52 -8.128 -12.066 2.634 1.00 0.81 C ATOM 783 O ILE A 52 -7.915 -12.163 3.840 1.00 1.04 O ATOM 784 CB ILE A 52 -7.882 -14.239 1.320 1.00 1.13 C ATOM 785 CG1 ILE A 52 -6.780 -13.740 0.360 1.00 1.11 C ATOM 786 CG2 ILE A 52 -8.657 -15.420 0.717 1.00 1.89 C ATOM 787 CD1 ILE A 52 -7.238 -13.179 -0.992 1.00 2.41 C ATOM 0 H ILE A 52 -9.249 -12.588 -0.078 1.00 0.80 H new ATOM 0 HA ILE A 52 -9.492 -13.684 2.611 1.00 0.88 H new ATOM 0 HB ILE A 52 -7.315 -14.560 2.194 1.00 1.13 H new ATOM 0 HG12 ILE A 52 -6.209 -12.966 0.872 1.00 1.11 H new ATOM 0 HG13 ILE A 52 -6.096 -14.567 0.170 1.00 1.11 H new ATOM 0 HG21 ILE A 52 -7.954 -16.155 0.326 1.00 1.89 H new ATOM 0 HG22 ILE A 52 -9.274 -15.882 1.488 1.00 1.89 H new ATOM 0 HG23 ILE A 52 -9.294 -15.062 -0.092 1.00 1.89 H new ATOM 0 HD11 ILE A 52 -6.368 -12.864 -1.569 1.00 2.41 H new ATOM 0 HD12 ILE A 52 -7.779 -13.950 -1.541 1.00 2.41 H new ATOM 0 HD13 ILE A 52 -7.893 -12.323 -0.828 1.00 2.41 H new ATOM 799 N ILE A 53 -7.730 -11.018 1.913 1.00 0.69 N ATOM 800 CA ILE A 53 -7.018 -9.855 2.426 1.00 0.63 C ATOM 801 C ILE A 53 -8.014 -8.696 2.522 1.00 0.62 C ATOM 802 O ILE A 53 -9.006 -8.668 1.791 1.00 0.87 O ATOM 803 CB ILE A 53 -5.825 -9.566 1.491 1.00 0.65 C ATOM 804 CG1 ILE A 53 -4.877 -8.457 1.972 1.00 0.96 C ATOM 805 CG2 ILE A 53 -6.283 -9.224 0.075 1.00 0.79 C ATOM 806 CD1 ILE A 53 -3.867 -9.003 2.976 1.00 0.96 C ATOM 0 H ILE A 53 -7.905 -10.957 0.910 1.00 0.69 H new ATOM 0 HA ILE A 53 -6.610 -10.018 3.424 1.00 0.63 H new ATOM 0 HB ILE A 53 -5.263 -10.500 1.501 1.00 0.65 H new ATOM 0 HG12 ILE A 53 -4.352 -8.026 1.119 1.00 0.96 H new ATOM 0 HG13 ILE A 53 -5.454 -7.653 2.430 1.00 0.96 H new ATOM 0 HG21 ILE A 53 -5.413 -9.027 -0.551 1.00 0.79 H new ATOM 0 HG22 ILE A 53 -6.845 -10.062 -0.338 1.00 0.79 H new ATOM 0 HG23 ILE A 53 -6.918 -8.339 0.102 1.00 0.79 H new ATOM 0 HD11 ILE A 53 -3.207 -8.199 3.302 1.00 0.96 H new ATOM 0 HD12 ILE A 53 -4.395 -9.411 3.838 1.00 0.96 H new ATOM 0 HD13 ILE A 53 -3.276 -9.790 2.507 1.00 0.96 H new ATOM 818 N GLY A 54 -7.763 -7.751 3.429 1.00 0.57 N ATOM 819 CA GLY A 54 -8.614 -6.594 3.644 1.00 0.58 C ATOM 820 C GLY A 54 -7.764 -5.362 3.946 1.00 0.54 C ATOM 821 O GLY A 54 -6.547 -5.469 4.117 1.00 0.60 O ATOM 0 H GLY A 54 -6.948 -7.774 4.042 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -9.226 -6.415 2.760 1.00 0.58 H new ATOM 0 HA3 GLY A 54 -9.297 -6.785 4.471 1.00 0.58 H new ATOM 825 N PRO A 55 -8.402 -4.186 4.037 1.00 0.56 N ATOM 826 CA PRO A 55 -7.713 -2.921 4.214 1.00 0.57 C ATOM 827 C PRO A 55 -6.976 -2.901 5.551 1.00 0.58 C ATOM 828 O PRO A 55 -5.867 -2.389 5.637 1.00 0.60 O ATOM 829 CB PRO A 55 -8.796 -1.844 4.120 1.00 0.69 C ATOM 830 CG PRO A 55 -10.076 -2.571 4.537 1.00 0.71 C ATOM 831 CD PRO A 55 -9.845 -4.005 4.055 1.00 0.66 C ATOM 0 HA PRO A 55 -6.948 -2.752 3.457 1.00 0.57 H new ATOM 0 HB2 PRO A 55 -8.581 -1.003 4.779 1.00 0.69 H new ATOM 0 HB3 PRO A 55 -8.875 -1.444 3.109 1.00 0.69 H new ATOM 0 HG2 PRO A 55 -10.228 -2.530 5.616 1.00 0.71 H new ATOM 0 HG3 PRO A 55 -10.958 -2.129 4.074 1.00 0.71 H new ATOM 0 HD2 PRO A 55 -10.322 -4.724 4.722 1.00 0.66 H new ATOM 0 HD3 PRO A 55 -10.271 -4.158 3.064 1.00 0.66 H new ATOM 839 N ARG A 56 -7.579 -3.476 6.597 1.00 0.63 N ATOM 840 CA ARG A 56 -6.952 -3.570 7.907 1.00 0.70 C ATOM 841 C ARG A 56 -5.610 -4.306 7.828 1.00 0.69 C ATOM 842 O ARG A 56 -4.643 -3.879 8.462 1.00 0.70 O ATOM 843 CB ARG A 56 -7.895 -4.246 8.909 1.00 0.87 C ATOM 844 CG ARG A 56 -9.179 -3.426 9.103 1.00 2.17 C ATOM 845 CD ARG A 56 -10.029 -3.973 10.256 1.00 2.63 C ATOM 846 NE ARG A 56 -9.353 -3.791 11.553 1.00 3.38 N ATOM 847 CZ ARG A 56 -9.857 -4.157 12.742 1.00 4.39 C ATOM 848 NH1 ARG A 56 -11.060 -4.739 12.804 1.00 4.62 N ATOM 849 NH2 ARG A 56 -9.157 -3.939 13.861 1.00 5.71 N ATOM 0 H ARG A 56 -8.512 -3.886 6.553 1.00 0.63 H new ATOM 0 HA ARG A 56 -6.751 -2.558 8.259 1.00 0.70 H new ATOM 0 HB2 ARG A 56 -8.149 -5.246 8.556 1.00 0.87 H new ATOM 0 HB3 ARG A 56 -7.388 -4.365 9.867 1.00 0.87 H new ATOM 0 HG2 ARG A 56 -8.921 -2.386 9.302 1.00 2.17 H new ATOM 0 HG3 ARG A 56 -9.762 -3.439 8.182 1.00 2.17 H new ATOM 0 HD2 ARG A 56 -10.994 -3.466 10.272 1.00 2.63 H new ATOM 0 HD3 ARG A 56 -10.228 -5.032 10.093 1.00 2.63 H new ATOM 0 HE ARG A 56 -8.432 -3.353 11.547 1.00 3.38 H new ATOM 0 HH11 ARG A 56 -11.592 -4.904 11.949 1.00 4.62 H new ATOM 0 HH12 ARG A 56 -11.446 -5.018 13.706 1.00 4.62 H new ATOM 0 HH21 ARG A 56 -8.240 -3.495 13.811 1.00 5.71 H new ATOM 0 HH22 ARG A 56 -9.540 -4.217 14.765 1.00 5.71 H new ATOM 863 N ASP A 57 -5.550 -5.401 7.055 1.00 0.70 N ATOM 864 CA ASP A 57 -4.304 -6.130 6.900 1.00 0.69 C ATOM 865 C ASP A 57 -3.281 -5.209 6.252 1.00 0.68 C ATOM 866 O ASP A 57 -2.259 -4.901 6.855 1.00 0.81 O ATOM 867 CB ASP A 57 -4.492 -7.420 6.096 1.00 0.74 C ATOM 868 CG ASP A 57 -3.195 -8.224 6.069 1.00 2.32 C ATOM 869 OD1 ASP A 57 -2.168 -7.661 5.627 1.00 4.02 O ATOM 870 OD2 ASP A 57 -3.253 -9.397 6.487 1.00 2.94 O ATOM 0 H ASP A 57 -6.341 -5.788 6.540 1.00 0.70 H new ATOM 0 HA ASP A 57 -3.945 -6.439 7.882 1.00 0.69 H new ATOM 0 HB2 ASP A 57 -5.289 -8.018 6.537 1.00 0.74 H new ATOM 0 HB3 ASP A 57 -4.800 -7.180 5.078 1.00 0.74 H new ATOM 875 N ILE A 58 -3.600 -4.717 5.050 1.00 0.63 N ATOM 876 CA ILE A 58 -2.758 -3.776 4.317 1.00 0.61 C ATOM 877 C ILE A 58 -2.210 -2.702 5.253 1.00 0.55 C ATOM 878 O ILE A 58 -1.003 -2.466 5.302 1.00 0.55 O ATOM 879 CB ILE A 58 -3.565 -3.161 3.162 1.00 0.64 C ATOM 880 CG1 ILE A 58 -3.854 -4.195 2.069 1.00 0.58 C ATOM 881 CG2 ILE A 58 -2.895 -1.915 2.565 1.00 0.77 C ATOM 882 CD1 ILE A 58 -2.604 -4.639 1.309 1.00 1.81 C ATOM 0 H ILE A 58 -4.458 -4.965 4.558 1.00 0.63 H new ATOM 0 HA ILE A 58 -1.902 -4.305 3.898 1.00 0.61 H new ATOM 0 HB ILE A 58 -4.513 -2.838 3.592 1.00 0.64 H new ATOM 0 HG12 ILE A 58 -4.325 -5.068 2.520 1.00 0.58 H new ATOM 0 HG13 ILE A 58 -4.570 -3.776 1.362 1.00 0.58 H new ATOM 0 HG21 ILE A 58 -3.510 -1.525 1.754 1.00 0.77 H new ATOM 0 HG22 ILE A 58 -2.788 -1.154 3.338 1.00 0.77 H new ATOM 0 HG23 ILE A 58 -1.911 -2.181 2.179 1.00 0.77 H new ATOM 0 HD11 ILE A 58 -2.880 -5.371 0.550 1.00 1.81 H new ATOM 0 HD12 ILE A 58 -2.144 -3.775 0.829 1.00 1.81 H new ATOM 0 HD13 ILE A 58 -1.895 -5.088 2.005 1.00 1.81 H new ATOM 894 N ILE A 59 -3.105 -2.074 6.015 1.00 0.52 N ATOM 895 CA ILE A 59 -2.752 -1.052 6.976 1.00 0.49 C ATOM 896 C ILE A 59 -1.686 -1.568 7.947 1.00 0.47 C ATOM 897 O ILE A 59 -0.601 -0.994 7.990 1.00 0.48 O ATOM 898 CB ILE A 59 -4.023 -0.493 7.637 1.00 0.50 C ATOM 899 CG1 ILE A 59 -4.710 0.456 6.642 1.00 0.55 C ATOM 900 CG2 ILE A 59 -3.757 0.205 8.980 1.00 0.50 C ATOM 901 CD1 ILE A 59 -6.185 0.663 6.978 1.00 0.57 C ATOM 0 H ILE A 59 -4.105 -2.269 5.975 1.00 0.52 H new ATOM 0 HA ILE A 59 -2.284 -0.203 6.477 1.00 0.49 H new ATOM 0 HB ILE A 59 -4.677 -1.331 7.878 1.00 0.50 H new ATOM 0 HG12 ILE A 59 -4.198 1.418 6.646 1.00 0.55 H new ATOM 0 HG13 ILE A 59 -4.621 0.052 5.634 1.00 0.55 H new ATOM 0 HG21 ILE A 59 -4.697 0.575 9.390 1.00 0.50 H new ATOM 0 HG22 ILE A 59 -3.311 -0.505 9.677 1.00 0.50 H new ATOM 0 HG23 ILE A 59 -3.074 1.041 8.827 1.00 0.50 H new ATOM 0 HD11 ILE A 59 -6.632 1.340 6.250 1.00 0.57 H new ATOM 0 HD12 ILE A 59 -6.703 -0.296 6.948 1.00 0.57 H new ATOM 0 HD13 ILE A 59 -6.274 1.093 7.976 1.00 0.57 H new ATOM 913 N HIS A 60 -1.948 -2.641 8.704 1.00 0.49 N ATOM 914 CA HIS A 60 -0.970 -3.099 9.693 1.00 0.50 C ATOM 915 C HIS A 60 0.339 -3.542 9.038 1.00 0.48 C ATOM 916 O HIS A 60 1.432 -3.334 9.569 1.00 0.50 O ATOM 917 CB HIS A 60 -1.552 -4.149 10.652 1.00 0.68 C ATOM 918 CG HIS A 60 -2.022 -5.486 10.112 1.00 1.97 C ATOM 919 ND1 HIS A 60 -1.389 -6.322 9.208 1.00 4.20 N ATOM 920 CD2 HIS A 60 -3.005 -6.229 10.712 1.00 2.41 C ATOM 921 CE1 HIS A 60 -1.997 -7.519 9.260 1.00 5.55 C ATOM 922 NE2 HIS A 60 -2.987 -7.514 10.168 1.00 4.53 N ATOM 0 H HIS A 60 -2.804 -3.193 8.653 1.00 0.49 H new ATOM 0 HA HIS A 60 -0.722 -2.240 10.317 1.00 0.50 H new ATOM 0 HB2 HIS A 60 -0.795 -4.352 11.409 1.00 0.68 H new ATOM 0 HB3 HIS A 60 -2.398 -3.689 11.163 1.00 0.68 H new ATOM 0 HD2 HIS A 60 -3.681 -5.878 11.478 1.00 2.41 H new ATOM 0 HE1 HIS A 60 -1.726 -8.371 8.653 1.00 5.55 H new ATOM 0 HE2 HIS A 60 -3.601 -8.292 10.411 1.00 4.53 H new ATOM 930 N THR A 61 0.218 -4.149 7.864 1.00 0.54 N ATOM 931 CA THR A 61 1.319 -4.720 7.116 1.00 0.74 C ATOM 932 C THR A 61 2.237 -3.601 6.614 1.00 0.86 C ATOM 933 O THR A 61 3.456 -3.734 6.687 1.00 1.12 O ATOM 934 CB THR A 61 0.716 -5.644 6.046 1.00 1.05 C ATOM 935 OG1 THR A 61 -0.004 -6.637 6.757 1.00 1.21 O ATOM 936 CG2 THR A 61 1.755 -6.338 5.160 1.00 1.46 C ATOM 0 H THR A 61 -0.681 -4.258 7.395 1.00 0.54 H new ATOM 0 HA THR A 61 1.978 -5.343 7.720 1.00 0.74 H new ATOM 0 HB THR A 61 0.104 -5.044 5.373 1.00 1.05 H new ATOM 0 HG1 THR A 61 -0.202 -6.314 7.661 1.00 1.21 H new ATOM 0 HG21 THR A 61 1.248 -6.971 4.432 1.00 1.46 H new ATOM 0 HG22 THR A 61 2.347 -5.587 4.637 1.00 1.46 H new ATOM 0 HG23 THR A 61 2.410 -6.950 5.779 1.00 1.46 H new ATOM 944 N ILE A 62 1.680 -2.468 6.173 1.00 0.73 N ATOM 945 CA ILE A 62 2.472 -1.277 5.875 1.00 0.75 C ATOM 946 C ILE A 62 3.015 -0.652 7.164 1.00 0.79 C ATOM 947 O ILE A 62 4.193 -0.304 7.208 1.00 0.95 O ATOM 948 CB ILE A 62 1.666 -0.277 5.032 1.00 0.62 C ATOM 949 CG1 ILE A 62 1.427 -0.879 3.639 1.00 0.63 C ATOM 950 CG2 ILE A 62 2.414 1.060 4.902 1.00 0.64 C ATOM 951 CD1 ILE A 62 0.413 -0.077 2.828 1.00 1.25 C ATOM 0 H ILE A 62 0.679 -2.354 6.015 1.00 0.73 H new ATOM 0 HA ILE A 62 3.333 -1.572 5.275 1.00 0.75 H new ATOM 0 HB ILE A 62 0.713 -0.084 5.525 1.00 0.62 H new ATOM 0 HG12 ILE A 62 2.372 -0.921 3.097 1.00 0.63 H new ATOM 0 HG13 ILE A 62 1.075 -1.905 3.745 1.00 0.63 H new ATOM 0 HG21 ILE A 62 1.823 1.751 4.301 1.00 0.64 H new ATOM 0 HG22 ILE A 62 2.573 1.486 5.893 1.00 0.64 H new ATOM 0 HG23 ILE A 62 3.377 0.893 4.420 1.00 0.64 H new ATOM 0 HD11 ILE A 62 0.278 -0.542 1.852 1.00 1.25 H new ATOM 0 HD12 ILE A 62 -0.541 -0.057 3.355 1.00 1.25 H new ATOM 0 HD13 ILE A 62 0.776 0.942 2.697 1.00 1.25 H new ATOM 963 N GLU A 63 2.184 -0.498 8.202 1.00 0.66 N ATOM 964 CA GLU A 63 2.606 0.062 9.484 1.00 0.65 C ATOM 965 C GLU A 63 3.871 -0.632 9.993 1.00 0.64 C ATOM 966 O GLU A 63 4.827 0.022 10.402 1.00 0.68 O ATOM 967 CB GLU A 63 1.461 -0.023 10.508 1.00 0.65 C ATOM 968 CG GLU A 63 1.183 1.346 11.130 1.00 1.46 C ATOM 969 CD GLU A 63 2.329 1.798 12.028 1.00 3.38 C ATOM 970 OE1 GLU A 63 2.503 1.143 13.078 1.00 3.93 O ATOM 971 OE2 GLU A 63 3.008 2.773 11.643 1.00 4.93 O ATOM 0 H GLU A 63 1.199 -0.760 8.173 1.00 0.66 H new ATOM 0 HA GLU A 63 2.849 1.115 9.341 1.00 0.65 H new ATOM 0 HB2 GLU A 63 0.560 -0.396 10.022 1.00 0.65 H new ATOM 0 HB3 GLU A 63 1.719 -0.737 11.290 1.00 0.65 H new ATOM 0 HG2 GLU A 63 1.028 2.081 10.340 1.00 1.46 H new ATOM 0 HG3 GLU A 63 0.261 1.302 11.710 1.00 1.46 H new ATOM 978 N SER A 64 3.916 -1.961 9.880 1.00 0.66 N ATOM 979 CA SER A 64 5.089 -2.758 10.225 1.00 0.70 C ATOM 980 C SER A 64 6.387 -2.254 9.568 1.00 0.69 C ATOM 981 O SER A 64 7.469 -2.458 10.111 1.00 0.88 O ATOM 982 CB SER A 64 4.834 -4.225 9.860 1.00 0.81 C ATOM 983 OG SER A 64 3.672 -4.709 10.508 1.00 1.68 O ATOM 0 H SER A 64 3.130 -2.517 9.543 1.00 0.66 H new ATOM 0 HA SER A 64 5.240 -2.658 11.300 1.00 0.70 H new ATOM 0 HB2 SER A 64 4.721 -4.321 8.780 1.00 0.81 H new ATOM 0 HB3 SER A 64 5.694 -4.830 10.146 1.00 0.81 H new ATOM 0 HG SER A 64 2.878 -4.305 10.100 1.00 1.68 H new ATOM 989 N LEU A 65 6.299 -1.621 8.392 1.00 0.61 N ATOM 990 CA LEU A 65 7.440 -1.075 7.662 1.00 0.69 C ATOM 991 C LEU A 65 7.780 0.354 8.101 1.00 0.67 C ATOM 992 O LEU A 65 8.851 0.853 7.746 1.00 0.85 O ATOM 993 CB LEU A 65 7.175 -1.114 6.150 1.00 0.79 C ATOM 994 CG LEU A 65 6.605 -2.454 5.659 1.00 0.80 C ATOM 995 CD1 LEU A 65 6.392 -2.392 4.145 1.00 1.07 C ATOM 996 CD2 LEU A 65 7.506 -3.643 6.012 1.00 1.01 C ATOM 0 H LEU A 65 5.410 -1.473 7.914 1.00 0.61 H new ATOM 0 HA LEU A 65 8.301 -1.702 7.895 1.00 0.69 H new ATOM 0 HB2 LEU A 65 6.479 -0.316 5.891 1.00 0.79 H new ATOM 0 HB3 LEU A 65 8.106 -0.909 5.621 1.00 0.79 H new ATOM 0 HG LEU A 65 5.655 -2.613 6.169 1.00 0.80 H new ATOM 0 HD11 LEU A 65 5.988 -3.342 3.795 1.00 1.07 H new ATOM 0 HD12 LEU A 65 5.692 -1.591 3.909 1.00 1.07 H new ATOM 0 HD13 LEU A 65 7.344 -2.199 3.651 1.00 1.07 H new ATOM 0 HD21 LEU A 65 7.055 -4.564 5.642 1.00 1.01 H new ATOM 0 HD22 LEU A 65 8.485 -3.507 5.552 1.00 1.01 H new ATOM 0 HD23 LEU A 65 7.620 -3.705 7.094 1.00 1.01 H new ATOM 1008 N GLY A 66 6.898 1.005 8.865 1.00 0.61 N ATOM 1009 CA GLY A 66 7.119 2.314 9.459 1.00 0.61 C ATOM 1010 C GLY A 66 6.668 3.449 8.544 1.00 0.60 C ATOM 1011 O GLY A 66 7.412 4.409 8.359 1.00 0.75 O ATOM 0 H GLY A 66 5.982 0.617 9.091 1.00 0.61 H new ATOM 0 HA2 GLY A 66 6.581 2.377 10.405 1.00 0.61 H new ATOM 0 HA3 GLY A 66 8.178 2.433 9.687 1.00 0.61 H new ATOM 1015 N PHE A 67 5.447 3.358 8.005 1.00 0.49 N ATOM 1016 CA PHE A 67 4.787 4.438 7.278 1.00 0.49 C ATOM 1017 C PHE A 67 3.323 4.430 7.702 1.00 0.48 C ATOM 1018 O PHE A 67 2.828 3.367 8.064 1.00 0.56 O ATOM 1019 CB PHE A 67 4.879 4.196 5.767 1.00 0.52 C ATOM 1020 CG PHE A 67 6.272 3.914 5.240 1.00 0.48 C ATOM 1021 CD1 PHE A 67 7.280 4.883 5.372 1.00 1.71 C ATOM 1022 CD2 PHE A 67 6.566 2.676 4.639 1.00 2.01 C ATOM 1023 CE1 PHE A 67 8.575 4.626 4.894 1.00 1.78 C ATOM 1024 CE2 PHE A 67 7.849 2.436 4.119 1.00 1.95 C ATOM 1025 CZ PHE A 67 8.858 3.405 4.259 1.00 0.51 C ATOM 0 H PHE A 67 4.881 2.511 8.066 1.00 0.49 H new ATOM 0 HA PHE A 67 5.262 5.394 7.500 1.00 0.49 H new ATOM 0 HB2 PHE A 67 4.234 3.355 5.510 1.00 0.52 H new ATOM 0 HB3 PHE A 67 4.483 5.071 5.251 1.00 0.52 H new ATOM 0 HD1 PHE A 67 7.058 5.829 5.843 1.00 1.71 H new ATOM 0 HD2 PHE A 67 5.806 1.911 4.578 1.00 2.01 H new ATOM 0 HE1 PHE A 67 9.353 5.366 5.014 1.00 1.78 H new ATOM 0 HE2 PHE A 67 8.060 1.506 3.611 1.00 1.95 H new ATOM 0 HZ PHE A 67 9.850 3.211 3.879 1.00 0.51 H new ATOM 1035 N GLU A 68 2.625 5.569 7.632 1.00 0.47 N ATOM 1036 CA GLU A 68 1.248 5.693 8.086 1.00 0.46 C ATOM 1037 C GLU A 68 0.278 5.589 6.897 1.00 0.41 C ATOM 1038 O GLU A 68 0.126 6.575 6.177 1.00 0.45 O ATOM 1039 CB GLU A 68 1.076 7.066 8.747 1.00 0.59 C ATOM 1040 CG GLU A 68 2.140 7.463 9.776 1.00 1.13 C ATOM 1041 CD GLU A 68 1.912 8.910 10.193 1.00 1.74 C ATOM 1042 OE1 GLU A 68 0.916 9.141 10.911 1.00 2.30 O ATOM 1043 OE2 GLU A 68 2.693 9.766 9.724 1.00 2.88 O ATOM 0 H GLU A 68 3.010 6.435 7.254 1.00 0.47 H new ATOM 0 HA GLU A 68 1.029 4.892 8.792 1.00 0.46 H new ATOM 0 HB2 GLU A 68 1.059 7.823 7.963 1.00 0.59 H new ATOM 0 HB3 GLU A 68 0.102 7.091 9.235 1.00 0.59 H new ATOM 0 HG2 GLU A 68 2.086 6.808 10.645 1.00 1.13 H new ATOM 0 HG3 GLU A 68 3.137 7.346 9.351 1.00 1.13 H new ATOM 1050 N PRO A 69 -0.389 4.452 6.645 1.00 0.39 N ATOM 1051 CA PRO A 69 -1.329 4.319 5.540 1.00 0.41 C ATOM 1052 C PRO A 69 -2.697 4.926 5.884 1.00 0.53 C ATOM 1053 O PRO A 69 -3.577 4.241 6.403 1.00 0.90 O ATOM 1054 CB PRO A 69 -1.422 2.812 5.281 1.00 0.43 C ATOM 1055 CG PRO A 69 -1.172 2.207 6.657 1.00 0.47 C ATOM 1056 CD PRO A 69 -0.176 3.169 7.292 1.00 0.50 C ATOM 0 HA PRO A 69 -0.996 4.860 4.655 1.00 0.41 H new ATOM 0 HB2 PRO A 69 -2.399 2.530 4.889 1.00 0.43 H new ATOM 0 HB3 PRO A 69 -0.679 2.482 4.555 1.00 0.43 H new ATOM 0 HG2 PRO A 69 -2.091 2.139 7.239 1.00 0.47 H new ATOM 0 HG3 PRO A 69 -0.765 1.198 6.584 1.00 0.47 H new ATOM 0 HD2 PRO A 69 -0.337 3.243 8.368 1.00 0.50 H new ATOM 0 HD3 PRO A 69 0.847 2.824 7.146 1.00 0.50 H new ATOM 1064 N SER A 70 -2.921 6.194 5.531 1.00 0.56 N ATOM 1065 CA SER A 70 -4.259 6.771 5.574 1.00 0.60 C ATOM 1066 C SER A 70 -5.034 6.298 4.341 1.00 0.60 C ATOM 1067 O SER A 70 -4.668 6.648 3.221 1.00 0.66 O ATOM 1068 CB SER A 70 -4.183 8.303 5.569 1.00 0.83 C ATOM 1069 OG SER A 70 -3.533 8.812 6.724 1.00 1.47 O ATOM 0 H SER A 70 -2.194 6.835 5.214 1.00 0.56 H new ATOM 0 HA SER A 70 -4.761 6.451 6.487 1.00 0.60 H new ATOM 0 HB2 SER A 70 -3.650 8.636 4.678 1.00 0.83 H new ATOM 0 HB3 SER A 70 -5.191 8.715 5.510 1.00 0.83 H new ATOM 0 HG SER A 70 -4.204 9.092 7.381 1.00 1.47 H new ATOM 1075 N LEU A 71 -6.121 5.545 4.528 1.00 0.70 N ATOM 1076 CA LEU A 71 -7.003 5.084 3.456 1.00 0.83 C ATOM 1077 C LEU A 71 -7.839 6.234 2.873 1.00 0.96 C ATOM 1078 O LEU A 71 -9.065 6.203 2.926 1.00 1.47 O ATOM 1079 CB LEU A 71 -7.879 3.926 3.971 1.00 1.09 C ATOM 1080 CG LEU A 71 -8.766 4.302 5.180 1.00 1.42 C ATOM 1081 CD1 LEU A 71 -10.216 3.864 4.938 1.00 1.72 C ATOM 1082 CD2 LEU A 71 -8.271 3.648 6.476 1.00 2.61 C ATOM 0 H LEU A 71 -6.418 5.232 5.452 1.00 0.70 H new ATOM 0 HA LEU A 71 -6.393 4.711 2.633 1.00 0.83 H new ATOM 0 HB2 LEU A 71 -8.517 3.577 3.159 1.00 1.09 H new ATOM 0 HB3 LEU A 71 -7.235 3.092 4.251 1.00 1.09 H new ATOM 0 HG LEU A 71 -8.711 5.385 5.288 1.00 1.42 H new ATOM 0 HD11 LEU A 71 -10.827 4.136 5.799 1.00 1.72 H new ATOM 0 HD12 LEU A 71 -10.602 4.360 4.048 1.00 1.72 H new ATOM 0 HD13 LEU A 71 -10.251 2.784 4.795 1.00 1.72 H new ATOM 0 HD21 LEU A 71 -8.922 3.938 7.301 1.00 2.61 H new ATOM 0 HD22 LEU A 71 -8.286 2.564 6.365 1.00 2.61 H new ATOM 0 HD23 LEU A 71 -7.253 3.977 6.684 1.00 2.61 H new ATOM 1094 N VAL A 72 -7.185 7.256 2.316 1.00 1.01 N ATOM 1095 CA VAL A 72 -7.873 8.440 1.816 1.00 1.16 C ATOM 1096 C VAL A 72 -8.775 8.069 0.643 1.00 1.22 C ATOM 1097 O VAL A 72 -9.982 8.279 0.723 1.00 2.15 O ATOM 1098 CB VAL A 72 -6.875 9.533 1.404 1.00 1.57 C ATOM 1099 CG1 VAL A 72 -7.606 10.831 1.031 1.00 2.23 C ATOM 1100 CG2 VAL A 72 -5.891 9.864 2.535 1.00 2.32 C ATOM 0 H VAL A 72 -6.172 7.283 2.201 1.00 1.01 H new ATOM 0 HA VAL A 72 -8.489 8.839 2.622 1.00 1.16 H new ATOM 0 HB VAL A 72 -6.329 9.140 0.546 1.00 1.57 H new ATOM 0 HG11 VAL A 72 -6.878 11.589 0.743 1.00 2.23 H new ATOM 0 HG12 VAL A 72 -8.281 10.641 0.197 1.00 2.23 H new ATOM 0 HG13 VAL A 72 -8.179 11.185 1.888 1.00 2.23 H new ATOM 0 HG21 VAL A 72 -5.203 10.641 2.203 1.00 2.32 H new ATOM 0 HG22 VAL A 72 -6.443 10.217 3.406 1.00 2.32 H new ATOM 0 HG23 VAL A 72 -5.327 8.970 2.800 1.00 2.32 H new