USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 876 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 37 SER OG : rot 121:sc= 0.921 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0.513 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 1.23 (180deg=0.612) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -73:sc= -1.66! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= 1.1 (180deg=0.06) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 70:sc= 1.01 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 49 HIS : no HD1:sc= -0.334 K(o=-0.33,f=-1.1) USER MOD Single : B 201 MET CE :methyl 161:sc= -0.0356 (180deg=-0.363) USER MOD Single : B 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 213 THR OG1 : rot -169:sc= -1.22 USER MOD Single : B 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 236 THR OG1 : rot 180:sc= -0.458 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 239 SER OG : rot -120:sc= 0.502 USER MOD Single : B 241 TYR OH : rot 27:sc= 1.09 USER MOD Single : B 248 ASN : amide:sc= -0.0608 K(o=-0.061,f=-2.2!) USER MOD Single : B 249 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.742 6.315 1.528 1.00 33.55 N ATOM 2 CA MET A 1 19.401 7.742 1.768 1.00 2.53 C ATOM 3 C MET A 1 18.926 7.967 3.212 1.00 65.42 C ATOM 4 O MET A 1 18.320 7.087 3.822 1.00 42.44 O ATOM 5 CB MET A 1 18.307 8.202 0.792 1.00 51.11 C ATOM 6 CG MET A 1 18.695 8.095 -0.679 1.00 15.23 C ATOM 7 SD MET A 1 17.397 8.704 -1.776 1.00 71.14 S ATOM 8 CE MET A 1 18.155 8.457 -3.381 1.00 43.12 C ATOM 0 H1 MET A 1 20.440 6.249 0.760 1.00 33.55 H new ATOM 0 H2 MET A 1 20.141 5.903 2.395 1.00 33.55 H new ATOM 0 H3 MET A 1 18.883 5.793 1.260 1.00 33.55 H new ATOM 0 HA MET A 1 20.305 8.329 1.605 1.00 2.53 H new ATOM 0 HB2 MET A 1 17.410 7.607 0.963 1.00 51.11 H new ATOM 0 HB3 MET A 1 18.050 9.238 1.014 1.00 51.11 H new ATOM 0 HG2 MET A 1 19.610 8.661 -0.853 1.00 15.23 H new ATOM 0 HG3 MET A 1 18.913 7.055 -0.920 1.00 15.23 H new ATOM 0 HE1 MET A 1 17.470 8.788 -4.162 1.00 43.12 H new ATOM 0 HE2 MET A 1 19.078 9.033 -3.440 1.00 43.12 H new ATOM 0 HE3 MET A 1 18.378 7.399 -3.519 1.00 43.12 H new ATOM 20 N VAL A 2 19.194 9.157 3.750 1.00 0.32 N ATOM 21 CA VAL A 2 18.782 9.509 5.120 1.00 3.54 C ATOM 22 C VAL A 2 17.391 10.173 5.147 1.00 71.35 C ATOM 23 O VAL A 2 16.957 10.693 6.176 1.00 41.34 O ATOM 24 CB VAL A 2 19.812 10.462 5.785 1.00 5.42 C ATOM 25 CG1 VAL A 2 21.171 9.781 5.928 1.00 51.14 C ATOM 26 CG2 VAL A 2 19.937 11.765 4.996 1.00 74.44 C ATOM 0 H VAL A 2 19.695 9.899 3.261 1.00 0.32 H new ATOM 0 HA VAL A 2 18.735 8.576 5.681 1.00 3.54 H new ATOM 0 HB VAL A 2 19.450 10.705 6.784 1.00 5.42 H new ATOM 0 HG11 VAL A 2 21.875 10.469 6.396 1.00 51.14 H new ATOM 0 HG12 VAL A 2 21.068 8.890 6.547 1.00 51.14 H new ATOM 0 HG13 VAL A 2 21.541 9.498 4.943 1.00 51.14 H new ATOM 0 HG21 VAL A 2 20.664 12.416 5.481 1.00 74.44 H new ATOM 0 HG22 VAL A 2 20.267 11.545 3.981 1.00 74.44 H new ATOM 0 HG23 VAL A 2 18.969 12.264 4.962 1.00 74.44 H new ATOM 36 N GLY A 3 16.695 10.143 4.013 1.00 73.52 N ATOM 37 CA GLY A 3 15.383 10.777 3.908 1.00 72.13 C ATOM 38 C GLY A 3 15.297 11.726 2.717 1.00 73.23 C ATOM 39 O GLY A 3 15.852 12.826 2.753 1.00 22.03 O ATOM 0 H GLY A 3 17.015 9.689 3.158 1.00 73.52 H new ATOM 0 HA2 GLY A 3 14.616 10.008 3.814 1.00 72.13 H new ATOM 0 HA3 GLY A 3 15.172 11.327 4.825 1.00 72.13 H new ATOM 43 N ARG A 4 14.614 11.296 1.657 1.00 11.44 N ATOM 44 CA ARG A 4 14.514 12.075 0.412 1.00 33.14 C ATOM 45 C ARG A 4 13.122 11.944 -0.225 1.00 42.42 C ATOM 46 O ARG A 4 12.788 10.909 -0.801 1.00 14.24 O ATOM 47 CB ARG A 4 15.579 11.616 -0.602 1.00 52.30 C ATOM 48 CG ARG A 4 17.008 12.020 -0.250 1.00 44.22 C ATOM 49 CD ARG A 4 17.165 13.536 -0.178 1.00 72.32 C ATOM 50 NE ARG A 4 18.564 13.939 -0.056 1.00 33.21 N ATOM 51 CZ ARG A 4 18.971 15.011 0.569 1.00 55.44 C ATOM 52 NH1 ARG A 4 18.131 15.773 1.193 1.00 44.44 N ATOM 53 NH2 ARG A 4 20.224 15.320 0.572 1.00 64.22 N ATOM 0 H ARG A 4 14.116 10.406 1.631 1.00 11.44 H new ATOM 0 HA ARG A 4 14.682 13.120 0.672 1.00 33.14 H new ATOM 0 HB2 ARG A 4 15.534 10.531 -0.690 1.00 52.30 H new ATOM 0 HB3 ARG A 4 15.330 12.026 -1.581 1.00 52.30 H new ATOM 0 HG2 ARG A 4 17.285 11.580 0.708 1.00 44.22 H new ATOM 0 HG3 ARG A 4 17.694 11.618 -0.996 1.00 44.22 H new ATOM 0 HD2 ARG A 4 16.735 13.987 -1.072 1.00 72.32 H new ATOM 0 HD3 ARG A 4 16.603 13.918 0.674 1.00 72.32 H new ATOM 0 HE ARG A 4 19.270 13.343 -0.488 1.00 33.21 H new ATOM 0 HH11 ARG A 4 17.138 15.539 1.200 1.00 44.44 H new ATOM 0 HH12 ARG A 4 18.462 16.607 1.677 1.00 44.44 H new ATOM 0 HH21 ARG A 4 20.897 14.727 0.086 1.00 64.22 H new ATOM 0 HH22 ARG A 4 20.542 16.157 1.060 1.00 64.22 H new ATOM 67 N ARG A 5 12.318 13.000 -0.131 1.00 51.42 N ATOM 68 CA ARG A 5 11.000 13.022 -0.777 1.00 31.11 C ATOM 69 C ARG A 5 10.928 14.148 -1.832 1.00 3.32 C ATOM 70 O ARG A 5 10.719 15.317 -1.505 1.00 52.53 O ATOM 71 CB ARG A 5 9.878 13.167 0.272 1.00 70.41 C ATOM 72 CG ARG A 5 9.978 14.412 1.150 1.00 63.23 C ATOM 73 CD ARG A 5 8.800 14.517 2.117 1.00 64.43 C ATOM 74 NE ARG A 5 8.779 15.801 2.814 1.00 51.31 N ATOM 75 CZ ARG A 5 7.858 16.166 3.663 1.00 33.13 C ATOM 76 NH1 ARG A 5 6.906 15.358 4.009 1.00 11.02 N ATOM 77 NH2 ARG A 5 7.904 17.345 4.187 1.00 21.52 N ATOM 0 H ARG A 5 12.551 13.850 0.383 1.00 51.42 H new ATOM 0 HA ARG A 5 10.854 12.072 -1.291 1.00 31.11 H new ATOM 0 HB2 ARG A 5 8.918 13.180 -0.243 1.00 70.41 H new ATOM 0 HB3 ARG A 5 9.884 12.286 0.914 1.00 70.41 H new ATOM 0 HG2 ARG A 5 10.911 14.386 1.714 1.00 63.23 H new ATOM 0 HG3 ARG A 5 10.012 15.300 0.519 1.00 63.23 H new ATOM 0 HD2 ARG A 5 7.867 14.387 1.568 1.00 64.43 H new ATOM 0 HD3 ARG A 5 8.856 13.709 2.846 1.00 64.43 H new ATOM 0 HE ARG A 5 9.536 16.457 2.624 1.00 51.31 H new ATOM 0 HH11 ARG A 5 6.867 14.418 3.616 1.00 11.02 H new ATOM 0 HH12 ARG A 5 6.195 15.662 4.674 1.00 11.02 H new ATOM 0 HH21 ARG A 5 8.657 17.985 3.937 1.00 21.52 H new ATOM 0 HH22 ARG A 5 7.187 17.636 4.851 1.00 21.52 H new ATOM 91 N PRO A 6 11.140 13.814 -3.121 1.00 51.51 N ATOM 92 CA PRO A 6 11.145 14.806 -4.205 1.00 2.41 C ATOM 93 C PRO A 6 9.734 15.199 -4.681 1.00 42.33 C ATOM 94 O PRO A 6 9.074 14.450 -5.402 1.00 43.45 O ATOM 95 CB PRO A 6 11.924 14.085 -5.313 1.00 72.32 C ATOM 96 CG PRO A 6 11.615 12.635 -5.110 1.00 63.33 C ATOM 97 CD PRO A 6 11.395 12.447 -3.625 1.00 24.24 C ATOM 0 HA PRO A 6 11.584 15.754 -3.892 1.00 2.41 H new ATOM 0 HB2 PRO A 6 11.611 14.422 -6.301 1.00 72.32 H new ATOM 0 HB3 PRO A 6 12.994 14.277 -5.234 1.00 72.32 H new ATOM 0 HG2 PRO A 6 10.728 12.345 -5.673 1.00 63.33 H new ATOM 0 HG3 PRO A 6 12.436 12.010 -5.463 1.00 63.33 H new ATOM 0 HD2 PRO A 6 10.551 11.786 -3.428 1.00 24.24 H new ATOM 0 HD3 PRO A 6 12.267 12.002 -3.146 1.00 24.24 H new ATOM 105 N GLY A 7 9.268 16.377 -4.263 1.00 54.34 N ATOM 106 CA GLY A 7 7.979 16.876 -4.734 1.00 3.41 C ATOM 107 C GLY A 7 7.986 17.138 -6.235 1.00 24.40 C ATOM 108 O GLY A 7 8.534 18.143 -6.696 1.00 75.30 O ATOM 0 H GLY A 7 9.755 16.992 -3.611 1.00 54.34 H new ATOM 0 HA2 GLY A 7 7.200 16.152 -4.495 1.00 3.41 H new ATOM 0 HA3 GLY A 7 7.731 17.797 -4.206 1.00 3.41 H new ATOM 112 N GLY A 8 7.402 16.226 -7.009 1.00 51.54 N ATOM 113 CA GLY A 8 7.446 16.336 -8.464 1.00 74.44 C ATOM 114 C GLY A 8 6.077 16.340 -9.136 1.00 34.12 C ATOM 115 O GLY A 8 5.988 16.151 -10.350 1.00 1.12 O ATOM 0 H GLY A 8 6.898 15.412 -6.658 1.00 51.54 H new ATOM 0 HA2 GLY A 8 7.971 17.253 -8.731 1.00 74.44 H new ATOM 0 HA3 GLY A 8 8.030 15.506 -8.862 1.00 74.44 H new ATOM 119 N GLY A 9 5.014 16.563 -8.361 1.00 73.31 N ATOM 120 CA GLY A 9 3.656 16.592 -8.916 1.00 24.03 C ATOM 121 C GLY A 9 3.186 15.249 -9.485 1.00 61.41 C ATOM 122 O GLY A 9 2.254 14.636 -8.965 1.00 41.41 O ATOM 0 H GLY A 9 5.064 16.725 -7.355 1.00 73.31 H new ATOM 0 HA2 GLY A 9 2.963 16.907 -8.136 1.00 24.03 H new ATOM 0 HA3 GLY A 9 3.613 17.344 -9.704 1.00 24.03 H new ATOM 126 N LEU A 10 3.797 14.827 -10.590 1.00 72.04 N ATOM 127 CA LEU A 10 3.540 13.507 -11.179 1.00 12.14 C ATOM 128 C LEU A 10 4.732 12.559 -10.948 1.00 11.13 C ATOM 129 O LEU A 10 4.577 11.338 -10.931 1.00 64.13 O ATOM 130 CB LEU A 10 3.270 13.647 -12.686 1.00 15.43 C ATOM 131 CG LEU A 10 2.087 14.555 -13.066 1.00 24.23 C ATOM 132 CD1 LEU A 10 1.953 14.662 -14.584 1.00 61.15 C ATOM 133 CD2 LEU A 10 0.786 14.042 -12.445 1.00 54.51 C ATOM 0 H LEU A 10 4.481 15.384 -11.103 1.00 72.04 H new ATOM 0 HA LEU A 10 2.662 13.082 -10.692 1.00 12.14 H new ATOM 0 HB2 LEU A 10 4.170 14.033 -13.164 1.00 15.43 H new ATOM 0 HB3 LEU A 10 3.091 12.654 -13.099 1.00 15.43 H new ATOM 0 HG LEU A 10 2.284 15.551 -12.669 1.00 24.23 H new ATOM 0 HD11 LEU A 10 1.111 15.308 -14.830 1.00 61.15 H new ATOM 0 HD12 LEU A 10 2.868 15.083 -15.001 1.00 61.15 H new ATOM 0 HD13 LEU A 10 1.785 13.671 -15.005 1.00 61.15 H new ATOM 0 HD21 LEU A 10 -0.036 14.700 -12.727 1.00 54.51 H new ATOM 0 HD22 LEU A 10 0.584 13.033 -12.805 1.00 54.51 H new ATOM 0 HD23 LEU A 10 0.882 14.027 -11.359 1.00 54.51 H new ATOM 145 N LYS A 11 5.925 13.134 -10.769 1.00 15.44 N ATOM 146 CA LYS A 11 7.154 12.350 -10.560 1.00 12.03 C ATOM 147 C LYS A 11 7.590 12.369 -9.085 1.00 31.42 C ATOM 148 O LYS A 11 8.756 12.139 -8.762 1.00 54.22 O ATOM 149 CB LYS A 11 8.278 12.883 -11.469 1.00 22.33 C ATOM 150 CG LYS A 11 8.582 14.374 -11.297 1.00 21.04 C ATOM 151 CD LYS A 11 9.555 14.879 -12.363 1.00 61.15 C ATOM 152 CE LYS A 11 9.796 16.385 -12.267 1.00 45.31 C ATOM 153 NZ LYS A 11 10.617 16.764 -11.085 1.00 55.13 N ATOM 0 H LYS A 11 6.070 14.144 -10.764 1.00 15.44 H new ATOM 0 HA LYS A 11 6.946 11.313 -10.824 1.00 12.03 H new ATOM 0 HB2 LYS A 11 9.187 12.315 -11.272 1.00 22.33 H new ATOM 0 HB3 LYS A 11 8.006 12.698 -12.508 1.00 22.33 H new ATOM 0 HG2 LYS A 11 7.654 14.943 -11.352 1.00 21.04 H new ATOM 0 HG3 LYS A 11 9.004 14.548 -10.307 1.00 21.04 H new ATOM 0 HD2 LYS A 11 10.505 14.355 -12.261 1.00 61.15 H new ATOM 0 HD3 LYS A 11 9.163 14.639 -13.351 1.00 61.15 H new ATOM 0 HE2 LYS A 11 10.294 16.727 -13.174 1.00 45.31 H new ATOM 0 HE3 LYS A 11 8.836 16.899 -12.217 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 10.749 17.796 -11.070 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 10.132 16.464 -10.215 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 11.545 16.297 -11.143 1.00 55.13 H new ATOM 167 N ASP A 12 6.634 12.626 -8.197 1.00 35.10 N ATOM 168 CA ASP A 12 6.889 12.687 -6.752 1.00 24.41 C ATOM 169 C ASP A 12 7.208 11.298 -6.146 1.00 35.12 C ATOM 170 O ASP A 12 8.329 11.045 -5.700 1.00 24.20 O ATOM 171 CB ASP A 12 5.677 13.325 -6.049 1.00 40.24 C ATOM 172 CG ASP A 12 4.373 12.632 -6.404 1.00 62.02 C ATOM 173 OD1 ASP A 12 3.939 12.744 -7.569 1.00 13.12 O ATOM 174 OD2 ASP A 12 3.803 11.931 -5.542 1.00 4.30 O ATOM 0 H ASP A 12 5.662 12.798 -8.453 1.00 35.10 H new ATOM 0 HA ASP A 12 7.775 13.302 -6.592 1.00 24.41 H new ATOM 0 HB2 ASP A 12 5.824 13.286 -4.970 1.00 40.24 H new ATOM 0 HB3 ASP A 12 5.613 14.378 -6.324 1.00 40.24 H new ATOM 179 N THR A 13 6.218 10.406 -6.130 1.00 51.42 N ATOM 180 CA THR A 13 6.365 9.074 -5.527 1.00 53.24 C ATOM 181 C THR A 13 6.369 7.961 -6.584 1.00 64.23 C ATOM 182 O THR A 13 5.971 8.173 -7.735 1.00 52.12 O ATOM 183 CB THR A 13 5.222 8.799 -4.525 1.00 43.25 C ATOM 184 OG1 THR A 13 3.955 8.898 -5.190 1.00 41.31 O ATOM 185 CG2 THR A 13 5.269 9.778 -3.354 1.00 62.24 C ATOM 0 H THR A 13 5.296 10.581 -6.531 1.00 51.42 H new ATOM 0 HA THR A 13 7.325 9.070 -5.011 1.00 53.24 H new ATOM 0 HB THR A 13 5.350 7.790 -4.133 1.00 43.25 H new ATOM 0 HG1 THR A 13 3.756 9.839 -5.376 1.00 41.31 H new ATOM 0 HG21 THR A 13 4.453 9.561 -2.665 1.00 62.24 H new ATOM 0 HG22 THR A 13 6.221 9.676 -2.833 1.00 62.24 H new ATOM 0 HG23 THR A 13 5.167 10.797 -3.727 1.00 62.24 H new ATOM 193 N LYS A 14 6.805 6.767 -6.183 1.00 42.54 N ATOM 194 CA LYS A 14 6.907 5.624 -7.099 1.00 42.00 C ATOM 195 C LYS A 14 5.670 4.713 -6.994 1.00 45.12 C ATOM 196 O LYS A 14 5.197 4.426 -5.893 1.00 30.13 O ATOM 197 CB LYS A 14 8.180 4.819 -6.790 1.00 73.03 C ATOM 198 CG LYS A 14 9.462 5.652 -6.807 1.00 31.13 C ATOM 199 CD LYS A 14 9.734 6.276 -8.179 1.00 44.55 C ATOM 200 CE LYS A 14 10.009 5.220 -9.246 1.00 12.40 C ATOM 201 NZ LYS A 14 10.363 5.832 -10.556 1.00 22.04 N ATOM 0 H LYS A 14 7.095 6.563 -5.227 1.00 42.54 H new ATOM 0 HA LYS A 14 6.958 6.008 -8.118 1.00 42.00 H new ATOM 0 HB2 LYS A 14 8.074 4.354 -5.810 1.00 73.03 H new ATOM 0 HB3 LYS A 14 8.273 4.013 -7.517 1.00 73.03 H new ATOM 0 HG2 LYS A 14 9.389 6.442 -6.060 1.00 31.13 H new ATOM 0 HG3 LYS A 14 10.305 5.022 -6.524 1.00 31.13 H new ATOM 0 HD2 LYS A 14 8.877 6.879 -8.479 1.00 44.55 H new ATOM 0 HD3 LYS A 14 10.588 6.949 -8.108 1.00 44.55 H new ATOM 0 HE2 LYS A 14 10.822 4.574 -8.916 1.00 12.40 H new ATOM 0 HE3 LYS A 14 9.129 4.588 -9.367 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 10.542 5.081 -11.253 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 9.577 6.429 -10.884 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 11.218 6.414 -10.447 1.00 22.04 H new ATOM 215 N PRO A 15 5.129 4.245 -8.139 1.00 12.11 N ATOM 216 CA PRO A 15 3.932 3.388 -8.165 1.00 20.43 C ATOM 217 C PRO A 15 4.241 1.888 -7.970 1.00 34.02 C ATOM 218 O PRO A 15 5.273 1.385 -8.418 1.00 11.14 O ATOM 219 CB PRO A 15 3.381 3.652 -9.569 1.00 24.34 C ATOM 220 CG PRO A 15 4.598 3.880 -10.409 1.00 20.23 C ATOM 221 CD PRO A 15 5.633 4.517 -9.504 1.00 14.01 C ATOM 0 HA PRO A 15 3.244 3.617 -7.351 1.00 20.43 H new ATOM 0 HB2 PRO A 15 2.799 2.805 -9.933 1.00 24.34 H new ATOM 0 HB3 PRO A 15 2.722 4.520 -9.581 1.00 24.34 H new ATOM 0 HG2 PRO A 15 4.968 2.940 -10.819 1.00 20.23 H new ATOM 0 HG3 PRO A 15 4.370 4.529 -11.254 1.00 20.23 H new ATOM 0 HD2 PRO A 15 6.621 4.083 -9.659 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.723 5.587 -9.691 1.00 14.01 H new ATOM 229 N VAL A 16 3.332 1.180 -7.304 1.00 54.44 N ATOM 230 CA VAL A 16 3.481 -0.258 -7.057 1.00 40.41 C ATOM 231 C VAL A 16 2.106 -0.943 -6.952 1.00 15.20 C ATOM 232 O VAL A 16 1.142 -0.356 -6.455 1.00 71.23 O ATOM 233 CB VAL A 16 4.304 -0.522 -5.764 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.613 0.075 -4.542 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.561 -2.017 -5.572 1.00 30.45 C ATOM 0 H VAL A 16 2.476 1.581 -6.921 1.00 54.44 H new ATOM 0 HA VAL A 16 4.020 -0.682 -7.904 1.00 40.41 H new ATOM 0 HB VAL A 16 5.269 -0.028 -5.877 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.210 -0.125 -3.652 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.507 1.152 -4.674 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.627 -0.375 -4.425 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.138 -2.173 -4.661 1.00 30.45 H new ATOM 0 HG22 VAL A 16 3.609 -2.543 -5.493 1.00 30.45 H new ATOM 0 HG23 VAL A 16 5.119 -2.403 -6.425 1.00 30.45 H new ATOM 245 N VAL A 17 2.014 -2.175 -7.444 1.00 62.13 N ATOM 246 CA VAL A 17 0.753 -2.924 -7.414 1.00 43.44 C ATOM 247 C VAL A 17 0.562 -3.667 -6.079 1.00 70.04 C ATOM 248 O VAL A 17 1.412 -4.459 -5.661 1.00 43.23 O ATOM 249 CB VAL A 17 0.668 -3.934 -8.592 1.00 12.14 C ATOM 250 CG1 VAL A 17 1.836 -4.921 -8.561 1.00 11.14 C ATOM 251 CG2 VAL A 17 -0.675 -4.671 -8.585 1.00 24.41 C ATOM 0 H VAL A 17 2.793 -2.678 -7.868 1.00 62.13 H new ATOM 0 HA VAL A 17 -0.048 -2.192 -7.518 1.00 43.44 H new ATOM 0 HB VAL A 17 0.737 -3.368 -9.521 1.00 12.14 H new ATOM 0 HG11 VAL A 17 1.749 -5.615 -9.397 1.00 11.14 H new ATOM 0 HG12 VAL A 17 2.776 -4.375 -8.639 1.00 11.14 H new ATOM 0 HG13 VAL A 17 1.817 -5.478 -7.624 1.00 11.14 H new ATOM 0 HG21 VAL A 17 -0.710 -5.372 -9.419 1.00 24.41 H new ATOM 0 HG22 VAL A 17 -0.786 -5.216 -7.648 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -1.486 -3.950 -8.683 1.00 24.41 H new ATOM 261 N VAL A 18 -0.552 -3.388 -5.406 1.00 30.21 N ATOM 262 CA VAL A 18 -0.909 -4.069 -4.155 1.00 4.35 C ATOM 263 C VAL A 18 -2.179 -4.920 -4.359 1.00 52.42 C ATOM 264 O VAL A 18 -2.947 -4.672 -5.286 1.00 35.30 O ATOM 265 CB VAL A 18 -1.146 -3.044 -3.012 1.00 64.54 C ATOM 266 CG1 VAL A 18 -1.255 -3.741 -1.656 1.00 62.24 C ATOM 267 CG2 VAL A 18 -0.043 -1.985 -2.994 1.00 34.11 C ATOM 0 H VAL A 18 -1.231 -2.689 -5.706 1.00 30.21 H new ATOM 0 HA VAL A 18 -0.079 -4.717 -3.874 1.00 4.35 H new ATOM 0 HB VAL A 18 -2.095 -2.544 -3.205 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -1.421 -2.997 -0.877 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -2.090 -4.441 -1.673 1.00 62.24 H new ATOM 0 HG13 VAL A 18 -0.332 -4.283 -1.450 1.00 62.24 H new ATOM 0 HG21 VAL A 18 -0.230 -1.278 -2.185 1.00 34.11 H new ATOM 0 HG22 VAL A 18 0.922 -2.467 -2.838 1.00 34.11 H new ATOM 0 HG23 VAL A 18 -0.033 -1.453 -3.946 1.00 34.11 H new ATOM 277 N ARG A 19 -2.400 -5.921 -3.507 1.00 33.33 N ATOM 278 CA ARG A 19 -3.567 -6.811 -3.649 1.00 51.14 C ATOM 279 C ARG A 19 -4.340 -6.969 -2.332 1.00 53.34 C ATOM 280 O ARG A 19 -3.749 -7.195 -1.274 1.00 65.11 O ATOM 281 CB ARG A 19 -3.123 -8.189 -4.162 1.00 14.31 C ATOM 282 CG ARG A 19 -2.596 -8.166 -5.594 1.00 24.32 C ATOM 283 CD ARG A 19 -2.143 -9.545 -6.062 1.00 11.11 C ATOM 284 NE ARG A 19 -1.696 -9.512 -7.453 1.00 30.22 N ATOM 285 CZ ARG A 19 -0.460 -9.669 -7.840 1.00 50.34 C ATOM 286 NH1 ARG A 19 0.471 -9.939 -6.980 1.00 53.35 N ATOM 287 NH2 ARG A 19 -0.171 -9.571 -9.095 1.00 70.51 N ATOM 0 H ARG A 19 -1.795 -6.140 -2.715 1.00 33.33 H new ATOM 0 HA ARG A 19 -4.239 -6.349 -4.372 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -2.347 -8.580 -3.504 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.966 -8.878 -4.105 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -3.375 -7.796 -6.260 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -1.761 -7.469 -5.661 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -1.332 -9.900 -5.425 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -2.964 -10.255 -5.958 1.00 11.11 H new ATOM 0 HE ARG A 19 -2.401 -9.355 -8.173 1.00 30.22 H new ATOM 0 HH11 ARG A 19 0.240 -10.031 -5.991 1.00 53.35 H new ATOM 0 HH12 ARG A 19 1.434 -10.060 -7.292 1.00 53.35 H new ATOM 0 HH21 ARG A 19 -0.906 -9.372 -9.774 1.00 70.51 H new ATOM 0 HH22 ARG A 19 0.792 -9.692 -9.407 1.00 70.51 H new ATOM 301 N LEU A 20 -5.667 -6.862 -2.411 1.00 70.41 N ATOM 302 CA LEU A 20 -6.538 -7.012 -1.235 1.00 51.52 C ATOM 303 C LEU A 20 -7.775 -7.871 -1.567 1.00 43.03 C ATOM 304 O LEU A 20 -8.194 -7.954 -2.722 1.00 11.41 O ATOM 305 CB LEU A 20 -6.974 -5.630 -0.720 1.00 61.44 C ATOM 306 CG LEU A 20 -7.795 -5.637 0.583 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.991 -6.251 1.728 1.00 50.32 C ATOM 308 CD2 LEU A 20 -8.246 -4.222 0.936 1.00 1.41 C ATOM 0 H LEU A 20 -6.168 -6.671 -3.279 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.972 -7.521 -0.455 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -6.083 -5.022 -0.564 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -7.562 -5.141 -1.497 1.00 61.44 H new ATOM 0 HG LEU A 20 -8.681 -6.252 0.427 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -7.591 -6.245 2.638 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -6.724 -7.277 1.476 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -6.083 -5.669 1.888 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -8.825 -4.244 1.859 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -7.372 -3.585 1.071 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -8.863 -3.825 0.130 1.00 1.41 H new ATOM 320 N TYR A 21 -8.354 -8.502 -0.547 1.00 64.30 N ATOM 321 CA TYR A 21 -9.512 -9.386 -0.727 1.00 53.45 C ATOM 322 C TYR A 21 -10.811 -8.578 -0.957 1.00 44.11 C ATOM 323 O TYR A 21 -11.137 -7.682 -0.177 1.00 72.45 O ATOM 324 CB TYR A 21 -9.655 -10.297 0.503 1.00 74.41 C ATOM 325 CG TYR A 21 -8.438 -11.176 0.762 1.00 73.20 C ATOM 326 CD1 TYR A 21 -7.257 -10.637 1.266 1.00 65.25 C ATOM 327 CD2 TYR A 21 -8.468 -12.544 0.503 1.00 72.14 C ATOM 328 CE1 TYR A 21 -6.149 -11.430 1.500 1.00 23.34 C ATOM 329 CE2 TYR A 21 -7.365 -13.342 0.738 1.00 3.02 C ATOM 330 CZ TYR A 21 -6.207 -12.781 1.235 1.00 0.54 C ATOM 331 OH TYR A 21 -5.103 -13.574 1.464 1.00 52.13 O ATOM 0 H TYR A 21 -8.040 -8.419 0.420 1.00 64.30 H new ATOM 0 HA TYR A 21 -9.347 -9.996 -1.615 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.839 -9.679 1.382 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.530 -10.934 0.372 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -7.206 -9.579 1.478 1.00 65.25 H new ATOM 0 HD2 TYR A 21 -9.370 -12.989 0.111 1.00 72.14 H new ATOM 0 HE1 TYR A 21 -5.242 -10.992 1.889 1.00 23.34 H new ATOM 0 HE2 TYR A 21 -7.409 -14.401 0.533 1.00 3.02 H new ATOM 0 HH TYR A 21 -5.312 -14.502 1.226 1.00 52.13 H new ATOM 341 N PRO A 22 -11.573 -8.891 -2.037 1.00 70.21 N ATOM 342 CA PRO A 22 -12.793 -8.144 -2.426 1.00 22.52 C ATOM 343 C PRO A 22 -13.767 -7.864 -1.264 1.00 72.44 C ATOM 344 O PRO A 22 -14.223 -6.733 -1.095 1.00 25.10 O ATOM 345 CB PRO A 22 -13.452 -9.043 -3.496 1.00 63.50 C ATOM 346 CG PRO A 22 -12.682 -10.327 -3.478 1.00 35.21 C ATOM 347 CD PRO A 22 -11.308 -9.986 -2.976 1.00 64.34 C ATOM 0 HA PRO A 22 -12.534 -7.147 -2.783 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -14.504 -9.214 -3.269 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -13.410 -8.575 -4.480 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -13.162 -11.060 -2.830 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -12.634 -10.766 -4.475 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -10.834 -10.835 -2.485 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -10.646 -9.675 -3.785 1.00 64.34 H new ATOM 355 N ASP A 23 -14.084 -8.884 -0.462 1.00 35.10 N ATOM 356 CA ASP A 23 -15.003 -8.719 0.679 1.00 33.03 C ATOM 357 C ASP A 23 -14.510 -7.661 1.683 1.00 35.32 C ATOM 358 O ASP A 23 -15.305 -7.046 2.395 1.00 54.14 O ATOM 359 CB ASP A 23 -15.212 -10.059 1.385 1.00 5.53 C ATOM 360 CG ASP A 23 -15.955 -11.039 0.505 1.00 2.23 C ATOM 361 OD1 ASP A 23 -15.309 -11.721 -0.314 1.00 72.00 O ATOM 362 OD2 ASP A 23 -17.199 -11.105 0.605 1.00 74.51 O ATOM 0 H ASP A 23 -13.722 -9.831 -0.577 1.00 35.10 H new ATOM 0 HA ASP A 23 -15.953 -8.364 0.279 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -14.246 -10.479 1.664 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -15.770 -9.902 2.308 1.00 5.53 H new ATOM 367 N GLU A 24 -13.201 -7.454 1.736 1.00 63.43 N ATOM 368 CA GLU A 24 -12.615 -6.419 2.589 1.00 54.11 C ATOM 369 C GLU A 24 -12.518 -5.085 1.830 1.00 74.01 C ATOM 370 O GLU A 24 -12.626 -4.008 2.423 1.00 41.34 O ATOM 371 CB GLU A 24 -11.248 -6.884 3.105 1.00 11.15 C ATOM 372 CG GLU A 24 -11.357 -8.151 3.952 1.00 14.40 C ATOM 373 CD GLU A 24 -10.021 -8.705 4.416 1.00 12.45 C ATOM 374 OE1 GLU A 24 -9.437 -8.139 5.363 1.00 42.11 O ATOM 375 OE2 GLU A 24 -9.582 -9.740 3.864 1.00 65.22 O ATOM 0 H GLU A 24 -12.520 -7.989 1.198 1.00 63.43 H new ATOM 0 HA GLU A 24 -13.261 -6.252 3.451 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -10.585 -7.069 2.260 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -10.795 -6.089 3.698 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -11.973 -7.939 4.826 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -11.875 -8.917 3.375 1.00 14.40 H new ATOM 382 N ILE A 25 -12.345 -5.164 0.509 1.00 72.23 N ATOM 383 CA ILE A 25 -12.429 -3.977 -0.352 1.00 61.51 C ATOM 384 C ILE A 25 -13.856 -3.399 -0.326 1.00 35.52 C ATOM 385 O ILE A 25 -14.061 -2.200 -0.511 1.00 61.43 O ATOM 386 CB ILE A 25 -12.030 -4.300 -1.816 1.00 41.13 C ATOM 387 CG1 ILE A 25 -10.598 -4.854 -1.868 1.00 13.03 C ATOM 388 CG2 ILE A 25 -12.166 -3.061 -2.707 1.00 22.51 C ATOM 389 CD1 ILE A 25 -10.133 -5.231 -3.259 1.00 50.20 C ATOM 0 H ILE A 25 -12.147 -6.032 0.012 1.00 72.23 H new ATOM 0 HA ILE A 25 -11.726 -3.241 0.039 1.00 61.51 H new ATOM 0 HB ILE A 25 -12.710 -5.062 -2.197 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.916 -4.109 -1.458 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -10.536 -5.732 -1.225 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.880 -3.314 -3.728 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -13.200 -2.715 -2.694 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -11.515 -2.271 -2.333 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -9.113 -5.613 -3.211 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -10.790 -6.000 -3.666 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -10.161 -4.352 -3.903 1.00 50.20 H new ATOM 401 N GLU A 26 -14.833 -4.275 -0.082 1.00 51.12 N ATOM 402 CA GLU A 26 -16.242 -3.877 0.068 1.00 61.31 C ATOM 403 C GLU A 26 -16.390 -2.737 1.088 1.00 73.42 C ATOM 404 O GLU A 26 -17.027 -1.717 0.817 1.00 30.03 O ATOM 405 CB GLU A 26 -17.075 -5.089 0.517 1.00 41.53 C ATOM 406 CG GLU A 26 -18.577 -4.831 0.588 1.00 33.02 C ATOM 407 CD GLU A 26 -19.206 -4.638 -0.784 1.00 42.21 C ATOM 408 OE1 GLU A 26 -19.533 -5.651 -1.440 1.00 1.31 O ATOM 409 OE2 GLU A 26 -19.379 -3.480 -1.211 1.00 11.14 O ATOM 0 H GLU A 26 -14.675 -5.278 0.018 1.00 51.12 H new ATOM 0 HA GLU A 26 -16.603 -3.519 -0.896 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -16.893 -5.915 -0.171 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.727 -5.410 1.499 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -19.062 -5.668 1.091 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -18.761 -3.945 1.195 1.00 33.02 H new ATOM 416 N ALA A 27 -15.788 -2.915 2.260 1.00 41.52 N ATOM 417 CA ALA A 27 -15.783 -1.875 3.292 1.00 70.34 C ATOM 418 C ALA A 27 -14.833 -0.729 2.912 1.00 0.11 C ATOM 419 O ALA A 27 -15.126 0.444 3.145 1.00 52.25 O ATOM 420 CB ALA A 27 -15.386 -2.472 4.637 1.00 15.25 C ATOM 0 H ALA A 27 -15.296 -3.769 2.522 1.00 41.52 H new ATOM 0 HA ALA A 27 -16.790 -1.466 3.372 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -15.386 -1.690 5.396 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -16.099 -3.248 4.915 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -14.389 -2.906 4.562 1.00 15.25 H new ATOM 426 N LEU A 28 -13.701 -1.084 2.305 1.00 72.51 N ATOM 427 CA LEU A 28 -12.690 -0.104 1.890 1.00 23.15 C ATOM 428 C LEU A 28 -13.293 1.007 1.014 1.00 11.20 C ATOM 429 O LEU A 28 -13.102 2.191 1.282 1.00 23.23 O ATOM 430 CB LEU A 28 -11.555 -0.809 1.134 1.00 53.11 C ATOM 431 CG LEU A 28 -10.392 0.094 0.688 1.00 55.21 C ATOM 432 CD1 LEU A 28 -9.659 0.675 1.896 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.428 -0.677 -0.213 1.00 13.50 C ATOM 0 H LEU A 28 -13.457 -2.050 2.087 1.00 72.51 H new ATOM 0 HA LEU A 28 -12.295 0.364 2.792 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -11.155 -1.599 1.770 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -11.975 -1.292 0.252 1.00 53.11 H new ATOM 0 HG LEU A 28 -10.806 0.924 0.115 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -8.841 1.310 1.555 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -10.353 1.267 2.493 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -9.259 -0.137 2.504 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -8.612 -0.022 -0.518 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -9.024 -1.530 0.332 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -9.960 -1.030 -1.097 1.00 13.50 H new ATOM 445 N LYS A 29 -14.039 0.624 -0.021 1.00 74.04 N ATOM 446 CA LYS A 29 -14.631 1.600 -0.949 1.00 23.14 C ATOM 447 C LYS A 29 -15.857 2.314 -0.343 1.00 43.00 C ATOM 448 O LYS A 29 -16.422 3.217 -0.962 1.00 20.51 O ATOM 449 CB LYS A 29 -15.006 0.922 -2.276 1.00 13.03 C ATOM 450 CG LYS A 29 -16.020 -0.208 -2.137 1.00 3.41 C ATOM 451 CD LYS A 29 -16.284 -0.903 -3.472 1.00 44.50 C ATOM 452 CE LYS A 29 -17.274 -2.053 -3.329 1.00 22.54 C ATOM 453 NZ LYS A 29 -18.616 -1.586 -2.888 1.00 52.53 N ATOM 0 H LYS A 29 -14.250 -0.349 -0.242 1.00 74.04 H new ATOM 0 HA LYS A 29 -13.875 2.362 -1.139 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -15.408 1.674 -2.954 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -14.101 0.528 -2.738 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -15.654 -0.937 -1.414 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -16.955 0.190 -1.743 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -16.671 -0.178 -4.188 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -15.345 -1.281 -3.876 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -17.367 -2.571 -4.283 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -16.888 -2.776 -2.610 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -18.890 -2.088 -2.020 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -18.584 -0.563 -2.701 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -19.314 -1.779 -3.635 1.00 52.53 H new ATOM 467 N SER A 30 -16.263 1.912 0.860 1.00 45.03 N ATOM 468 CA SER A 30 -17.366 2.580 1.574 1.00 72.31 C ATOM 469 C SER A 30 -16.832 3.665 2.520 1.00 14.32 C ATOM 470 O SER A 30 -17.487 4.684 2.754 1.00 25.42 O ATOM 471 CB SER A 30 -18.187 1.558 2.375 1.00 12.13 C ATOM 472 OG SER A 30 -19.272 2.178 3.052 1.00 24.12 O ATOM 0 H SER A 30 -15.850 1.129 1.366 1.00 45.03 H new ATOM 0 HA SER A 30 -18.007 3.050 0.828 1.00 72.31 H new ATOM 0 HB2 SER A 30 -18.568 0.789 1.703 1.00 12.13 H new ATOM 0 HB3 SER A 30 -17.543 1.059 3.099 1.00 12.13 H new ATOM 0 HG SER A 30 -19.776 1.502 3.551 1.00 24.12 H new ATOM 478 N ARG A 31 -15.630 3.441 3.052 1.00 74.43 N ATOM 479 CA ARG A 31 -14.989 4.382 3.986 1.00 23.31 C ATOM 480 C ARG A 31 -14.151 5.451 3.258 1.00 45.01 C ATOM 481 O ARG A 31 -13.507 6.285 3.898 1.00 31.52 O ATOM 482 CB ARG A 31 -14.109 3.606 4.983 1.00 60.52 C ATOM 483 CG ARG A 31 -13.093 2.683 4.316 1.00 25.43 C ATOM 484 CD ARG A 31 -12.398 1.763 5.317 1.00 64.45 C ATOM 485 NE ARG A 31 -11.439 2.470 6.165 1.00 1.12 N ATOM 486 CZ ARG A 31 -10.838 1.932 7.193 1.00 4.32 C ATOM 487 NH1 ARG A 31 -11.112 0.724 7.563 1.00 3.13 N ATOM 488 NH2 ARG A 31 -9.959 2.604 7.854 1.00 21.30 N ATOM 0 H ARG A 31 -15.073 2.610 2.853 1.00 74.43 H new ATOM 0 HA ARG A 31 -15.781 4.906 4.521 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -13.579 4.317 5.616 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -14.750 3.014 5.636 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -13.596 2.080 3.560 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -12.345 3.284 3.799 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -13.149 1.285 5.946 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -11.882 0.969 4.777 1.00 64.45 H new ATOM 0 HE ARG A 31 -11.226 3.442 5.940 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -11.805 0.178 7.051 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -10.635 0.316 8.367 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -9.731 3.558 7.575 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -9.491 2.182 8.656 1.00 21.30 H new ATOM 502 N VAL A 32 -14.150 5.425 1.925 1.00 43.31 N ATOM 503 CA VAL A 32 -13.419 6.427 1.133 1.00 22.13 C ATOM 504 C VAL A 32 -14.337 7.584 0.688 1.00 32.13 C ATOM 505 O VAL A 32 -15.429 7.360 0.159 1.00 53.01 O ATOM 506 CB VAL A 32 -12.747 5.803 -0.123 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.697 4.772 0.279 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.783 5.187 -1.062 1.00 42.31 C ATOM 0 H VAL A 32 -14.643 4.727 1.369 1.00 43.31 H new ATOM 0 HA VAL A 32 -12.642 6.818 1.790 1.00 22.13 H new ATOM 0 HB VAL A 32 -12.247 6.606 -0.664 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -11.241 4.349 -0.616 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -10.929 5.252 0.886 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -12.170 3.977 0.855 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -13.280 4.760 -1.929 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -14.329 4.403 -0.537 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -14.480 5.958 -1.390 1.00 42.31 H new ATOM 518 N PRO A 33 -13.915 8.842 0.919 1.00 25.50 N ATOM 519 CA PRO A 33 -14.646 10.017 0.425 1.00 21.43 C ATOM 520 C PRO A 33 -14.426 10.249 -1.085 1.00 11.41 C ATOM 521 O PRO A 33 -13.414 9.831 -1.647 1.00 3.11 O ATOM 522 CB PRO A 33 -14.057 11.162 1.257 1.00 71.24 C ATOM 523 CG PRO A 33 -12.669 10.722 1.578 1.00 23.31 C ATOM 524 CD PRO A 33 -12.717 9.218 1.696 1.00 5.31 C ATOM 0 HA PRO A 33 -15.726 9.914 0.530 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -14.056 12.098 0.698 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -14.638 11.332 2.163 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -11.974 11.029 0.797 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -12.323 11.174 2.508 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -11.816 8.756 1.291 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -12.799 8.901 2.736 1.00 5.31 H new ATOM 532 N ALA A 34 -15.370 10.929 -1.735 1.00 33.12 N ATOM 533 CA ALA A 34 -15.343 11.114 -3.196 1.00 35.41 C ATOM 534 C ALA A 34 -14.086 11.861 -3.692 1.00 22.21 C ATOM 535 O ALA A 34 -13.671 11.690 -4.839 1.00 42.12 O ATOM 536 CB ALA A 34 -16.597 11.850 -3.649 1.00 53.21 C ATOM 0 H ALA A 34 -16.169 11.365 -1.275 1.00 33.12 H new ATOM 0 HA ALA A 34 -15.310 10.118 -3.638 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -16.570 11.983 -4.730 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -17.478 11.269 -3.377 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -16.642 12.825 -3.164 1.00 53.21 H new ATOM 542 N ASN A 35 -13.488 12.695 -2.841 1.00 52.44 N ATOM 543 CA ASN A 35 -12.288 13.461 -3.227 1.00 12.42 C ATOM 544 C ASN A 35 -10.983 12.704 -2.915 1.00 3.15 C ATOM 545 O ASN A 35 -9.889 13.158 -3.267 1.00 73.34 O ATOM 546 CB ASN A 35 -12.286 14.828 -2.538 1.00 12.41 C ATOM 547 CG ASN A 35 -13.388 15.736 -3.055 1.00 41.11 C ATOM 548 OD1 ASN A 35 -13.209 16.451 -4.034 1.00 63.42 O ATOM 549 ND2 ASN A 35 -14.534 15.718 -2.411 1.00 72.13 N ATOM 0 H ASN A 35 -13.806 12.861 -1.886 1.00 52.44 H new ATOM 0 HA ASN A 35 -12.329 13.600 -4.307 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -12.406 14.691 -1.463 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -11.320 15.309 -2.692 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -15.304 16.310 -2.723 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -14.653 15.112 -1.599 1.00 72.13 H new ATOM 556 N THR A 36 -11.103 11.548 -2.269 1.00 12.31 N ATOM 557 CA THR A 36 -9.939 10.704 -1.959 1.00 32.01 C ATOM 558 C THR A 36 -10.073 9.337 -2.639 1.00 13.35 C ATOM 559 O THR A 36 -10.884 8.507 -2.229 1.00 72.02 O ATOM 560 CB THR A 36 -9.764 10.497 -0.432 1.00 22.31 C ATOM 561 OG1 THR A 36 -9.632 11.767 0.228 1.00 44.43 O ATOM 562 CG2 THR A 36 -8.539 9.636 -0.122 1.00 34.53 C ATOM 0 H THR A 36 -11.993 11.168 -1.947 1.00 12.31 H new ATOM 0 HA THR A 36 -9.059 11.223 -2.338 1.00 32.01 H new ATOM 0 HB THR A 36 -10.651 9.981 -0.065 1.00 22.31 H new ATOM 0 HG1 THR A 36 -9.524 11.625 1.192 1.00 44.43 H new ATOM 0 HG21 THR A 36 -8.446 9.511 0.957 1.00 34.53 H new ATOM 0 HG22 THR A 36 -8.652 8.659 -0.592 1.00 34.53 H new ATOM 0 HG23 THR A 36 -7.644 10.123 -0.509 1.00 34.53 H new ATOM 570 N SER A 37 -9.284 9.115 -3.687 1.00 64.42 N ATOM 571 CA SER A 37 -9.351 7.870 -4.466 1.00 14.32 C ATOM 572 C SER A 37 -8.887 6.661 -3.648 1.00 65.43 C ATOM 573 O SER A 37 -8.222 6.807 -2.622 1.00 3.00 O ATOM 574 CB SER A 37 -8.481 7.977 -5.727 1.00 62.04 C ATOM 575 OG SER A 37 -7.102 8.044 -5.395 1.00 42.03 O ATOM 0 H SER A 37 -8.587 9.780 -4.022 1.00 64.42 H new ATOM 0 HA SER A 37 -10.395 7.725 -4.743 1.00 14.32 H new ATOM 0 HB2 SER A 37 -8.661 7.116 -6.371 1.00 62.04 H new ATOM 0 HB3 SER A 37 -8.765 8.864 -6.294 1.00 62.04 H new ATOM 0 HG SER A 37 -6.628 7.297 -5.816 1.00 42.03 H new ATOM 581 N MET A 38 -9.242 5.465 -4.117 1.00 21.24 N ATOM 582 CA MET A 38 -8.778 4.217 -3.494 1.00 24.12 C ATOM 583 C MET A 38 -7.247 4.213 -3.324 1.00 3.03 C ATOM 584 O MET A 38 -6.730 3.876 -2.259 1.00 71.54 O ATOM 585 CB MET A 38 -9.208 3.012 -4.342 1.00 61.22 C ATOM 586 CG MET A 38 -10.711 2.908 -4.553 1.00 2.33 C ATOM 587 SD MET A 38 -11.164 1.526 -5.622 1.00 63.44 S ATOM 588 CE MET A 38 -12.943 1.720 -5.702 1.00 14.55 C ATOM 0 H MET A 38 -9.849 5.330 -4.926 1.00 21.24 H new ATOM 0 HA MET A 38 -9.232 4.147 -2.506 1.00 24.12 H new ATOM 0 HB2 MET A 38 -8.718 3.072 -5.314 1.00 61.22 H new ATOM 0 HB3 MET A 38 -8.855 2.099 -3.863 1.00 61.22 H new ATOM 0 HG2 MET A 38 -11.203 2.793 -3.587 1.00 2.33 H new ATOM 0 HG3 MET A 38 -11.079 3.837 -4.989 1.00 2.33 H new ATOM 0 HE1 MET A 38 -13.367 0.936 -6.329 1.00 14.55 H new ATOM 0 HE2 MET A 38 -13.362 1.648 -4.698 1.00 14.55 H new ATOM 0 HE3 MET A 38 -13.184 2.694 -6.127 1.00 14.55 H new ATOM 598 N SER A 39 -6.529 4.608 -4.379 1.00 24.21 N ATOM 599 CA SER A 39 -5.059 4.664 -4.346 1.00 74.42 C ATOM 600 C SER A 39 -4.561 5.701 -3.331 1.00 10.11 C ATOM 601 O SER A 39 -3.630 5.438 -2.567 1.00 62.41 O ATOM 602 CB SER A 39 -4.499 4.993 -5.740 1.00 33.02 C ATOM 603 OG SER A 39 -4.997 6.237 -6.219 1.00 13.12 O ATOM 0 H SER A 39 -6.939 4.894 -5.268 1.00 24.21 H new ATOM 0 HA SER A 39 -4.701 3.682 -4.038 1.00 74.42 H new ATOM 0 HB2 SER A 39 -3.410 5.027 -5.698 1.00 33.02 H new ATOM 0 HB3 SER A 39 -4.766 4.199 -6.438 1.00 33.02 H new ATOM 0 HG SER A 39 -4.622 6.420 -7.106 1.00 13.12 H new ATOM 609 N ALA A 40 -5.185 6.877 -3.324 1.00 14.42 N ATOM 610 CA ALA A 40 -4.823 7.942 -2.382 1.00 14.33 C ATOM 611 C ALA A 40 -5.090 7.527 -0.924 1.00 33.44 C ATOM 612 O ALA A 40 -4.316 7.851 -0.018 1.00 51.12 O ATOM 613 CB ALA A 40 -5.584 9.220 -2.716 1.00 74.14 C ATOM 0 H ALA A 40 -5.945 7.120 -3.960 1.00 14.42 H new ATOM 0 HA ALA A 40 -3.753 8.125 -2.482 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -5.307 10.003 -2.010 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -5.334 9.538 -3.728 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -6.656 9.033 -2.649 1.00 74.14 H new ATOM 619 N TYR A 41 -6.188 6.804 -0.703 1.00 11.42 N ATOM 620 CA TYR A 41 -6.555 6.345 0.639 1.00 41.04 C ATOM 621 C TYR A 41 -5.593 5.255 1.136 1.00 25.42 C ATOM 622 O TYR A 41 -5.102 5.316 2.264 1.00 2.53 O ATOM 623 CB TYR A 41 -8.001 5.830 0.652 1.00 4.34 C ATOM 624 CG TYR A 41 -8.547 5.566 2.046 1.00 2.14 C ATOM 625 CD1 TYR A 41 -8.664 6.600 2.972 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.950 4.292 2.437 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.161 6.372 4.239 1.00 4.32 C ATOM 628 CE2 TYR A 41 -9.451 4.058 3.704 1.00 3.44 C ATOM 629 CZ TYR A 41 -9.556 5.100 4.600 1.00 14.21 C ATOM 630 OH TYR A 41 -10.057 4.872 5.863 1.00 73.35 O ATOM 0 H TYR A 41 -6.840 6.523 -1.436 1.00 11.42 H new ATOM 0 HA TYR A 41 -6.479 7.195 1.317 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -8.641 6.559 0.154 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -8.054 4.909 0.071 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -8.360 7.598 2.693 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -8.870 3.472 1.738 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -9.240 7.185 4.945 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -9.759 3.063 3.990 1.00 3.44 H new ATOM 0 HH TYR A 41 -10.939 5.292 5.946 1.00 73.35 H new ATOM 640 N ILE A 42 -5.318 4.261 0.292 1.00 61.22 N ATOM 641 CA ILE A 42 -4.340 3.222 0.631 1.00 11.42 C ATOM 642 C ILE A 42 -2.948 3.834 0.859 1.00 52.44 C ATOM 643 O ILE A 42 -2.202 3.392 1.731 1.00 30.32 O ATOM 644 CB ILE A 42 -4.253 2.132 -0.471 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.601 1.406 -0.615 1.00 62.40 C ATOM 646 CG2 ILE A 42 -3.138 1.130 -0.163 1.00 14.52 C ATOM 647 CD1 ILE A 42 -6.048 0.684 0.642 1.00 75.24 C ATOM 0 H ILE A 42 -5.753 4.151 -0.624 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.682 2.752 1.553 1.00 11.42 H new ATOM 0 HB ILE A 42 -4.017 2.623 -1.415 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -6.365 2.131 -0.897 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -5.529 0.686 -1.430 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -3.098 0.377 -0.950 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -2.183 1.653 -0.112 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.338 0.646 0.793 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -7.006 0.197 0.461 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -5.306 -0.066 0.914 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -6.154 1.402 1.456 1.00 75.24 H new ATOM 659 N ARG A 43 -2.624 4.868 0.075 1.00 34.24 N ATOM 660 CA ARG A 43 -1.346 5.580 0.207 1.00 51.32 C ATOM 661 C ARG A 43 -1.129 6.097 1.637 1.00 55.13 C ATOM 662 O ARG A 43 -0.059 5.908 2.215 1.00 53.23 O ATOM 663 CB ARG A 43 -1.280 6.747 -0.792 1.00 24.04 C ATOM 664 CG ARG A 43 -0.007 7.585 -0.688 1.00 1.23 C ATOM 665 CD ARG A 43 0.044 8.672 -1.759 1.00 23.44 C ATOM 666 NE ARG A 43 -1.114 9.568 -1.701 1.00 31.32 N ATOM 667 CZ ARG A 43 -1.379 10.483 -2.599 1.00 74.14 C ATOM 668 NH1 ARG A 43 -0.566 10.698 -3.586 1.00 13.50 N ATOM 669 NH2 ARG A 43 -2.445 11.210 -2.491 1.00 51.23 N ATOM 0 H ARG A 43 -3.230 5.232 -0.660 1.00 34.24 H new ATOM 0 HA ARG A 43 -0.549 4.870 -0.015 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -1.359 6.350 -1.804 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -2.143 7.395 -0.635 1.00 24.04 H new ATOM 0 HG2 ARG A 43 0.046 8.044 0.299 1.00 1.23 H new ATOM 0 HG3 ARG A 43 0.864 6.937 -0.786 1.00 1.23 H new ATOM 0 HD2 ARG A 43 0.957 9.255 -1.638 1.00 23.44 H new ATOM 0 HD3 ARG A 43 0.091 8.206 -2.743 1.00 23.44 H new ATOM 0 HE ARG A 43 -1.753 9.473 -0.912 1.00 31.32 H new ATOM 0 HH11 ARG A 43 0.291 10.151 -3.669 1.00 13.50 H new ATOM 0 HH12 ARG A 43 -0.784 11.414 -4.279 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -3.080 11.070 -1.705 1.00 51.23 H new ATOM 0 HH22 ARG A 43 -2.650 11.922 -3.192 1.00 51.23 H new ATOM 683 N ARG A 44 -2.144 6.752 2.209 1.00 61.41 N ATOM 684 CA ARG A 44 -2.032 7.267 3.582 1.00 20.42 C ATOM 685 C ARG A 44 -2.058 6.127 4.618 1.00 51.50 C ATOM 686 O ARG A 44 -1.383 6.198 5.644 1.00 10.23 O ATOM 687 CB ARG A 44 -3.135 8.299 3.883 1.00 34.24 C ATOM 688 CG ARG A 44 -4.556 7.746 3.845 1.00 24.24 C ATOM 689 CD ARG A 44 -5.584 8.799 4.251 1.00 42.11 C ATOM 690 NE ARG A 44 -5.321 9.329 5.590 1.00 1.25 N ATOM 691 CZ ARG A 44 -6.097 10.166 6.223 1.00 22.05 C ATOM 692 NH1 ARG A 44 -7.218 10.558 5.708 1.00 14.32 N ATOM 693 NH2 ARG A 44 -5.748 10.607 7.389 1.00 10.22 N ATOM 0 H ARG A 44 -3.038 6.937 1.755 1.00 61.41 H new ATOM 0 HA ARG A 44 -1.067 7.768 3.660 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -2.953 8.727 4.869 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -3.058 9.113 3.162 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -4.780 7.387 2.840 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -4.630 6.888 4.513 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -5.573 9.615 3.529 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.582 8.362 4.223 1.00 42.11 H new ATOM 0 HE ARG A 44 -4.470 9.022 6.062 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -7.507 10.212 4.793 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -7.812 11.213 6.217 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -4.870 10.300 7.809 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -6.351 11.261 7.888 1.00 10.22 H new ATOM 707 N ILE A 45 -2.829 5.069 4.337 1.00 34.40 N ATOM 708 CA ILE A 45 -2.883 3.891 5.218 1.00 11.24 C ATOM 709 C ILE A 45 -1.494 3.252 5.387 1.00 13.32 C ATOM 710 O ILE A 45 -1.052 2.978 6.508 1.00 21.12 O ATOM 711 CB ILE A 45 -3.877 2.820 4.685 1.00 60.24 C ATOM 712 CG1 ILE A 45 -5.321 3.352 4.725 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.762 1.521 5.486 1.00 63.54 C ATOM 714 CD1 ILE A 45 -6.347 2.364 4.206 1.00 65.35 C ATOM 0 H ILE A 45 -3.423 5.002 3.510 1.00 34.40 H new ATOM 0 HA ILE A 45 -3.234 4.245 6.187 1.00 11.24 H new ATOM 0 HB ILE A 45 -3.617 2.605 3.649 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.573 3.619 5.751 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -5.379 4.267 4.135 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -4.467 0.788 5.094 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.748 1.130 5.402 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.989 1.718 6.534 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -7.341 2.807 4.264 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -6.121 2.116 3.169 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -6.318 1.458 4.811 1.00 65.35 H new ATOM 726 N ILE A 46 -0.812 3.009 4.270 1.00 74.51 N ATOM 727 CA ILE A 46 0.535 2.437 4.308 1.00 65.01 C ATOM 728 C ILE A 46 1.564 3.471 4.791 1.00 34.43 C ATOM 729 O ILE A 46 2.489 3.128 5.521 1.00 71.04 O ATOM 730 CB ILE A 46 0.967 1.864 2.928 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.029 2.971 1.859 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.015 0.748 2.497 1.00 43.31 C ATOM 733 CD1 ILE A 46 1.472 2.490 0.490 1.00 50.55 C ATOM 0 H ILE A 46 -1.166 3.197 3.332 1.00 74.51 H new ATOM 0 HA ILE A 46 0.503 1.611 5.019 1.00 65.01 H new ATOM 0 HB ILE A 46 1.969 1.448 3.031 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.044 3.429 1.769 1.00 42.21 H new ATOM 0 HG13 ILE A 46 1.713 3.749 2.197 1.00 42.21 H new ATOM 0 HG21 ILE A 46 0.329 0.356 1.530 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.034 -0.052 3.237 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.997 1.144 2.417 1.00 43.31 H new ATOM 0 HD11 ILE A 46 1.489 3.331 -0.203 1.00 50.55 H new ATOM 0 HD12 ILE A 46 2.471 2.059 0.561 1.00 50.55 H new ATOM 0 HD13 ILE A 46 0.776 1.734 0.127 1.00 50.55 H new ATOM 745 N LEU A 47 1.378 4.738 4.403 1.00 4.21 N ATOM 746 CA LEU A 47 2.286 5.824 4.810 1.00 21.41 C ATOM 747 C LEU A 47 2.545 5.813 6.324 1.00 62.12 C ATOM 748 O LEU A 47 3.674 5.611 6.767 1.00 32.41 O ATOM 749 CB LEU A 47 1.705 7.186 4.402 1.00 25.35 C ATOM 750 CG LEU A 47 2.535 8.410 4.828 1.00 3.11 C ATOM 751 CD1 LEU A 47 3.878 8.432 4.099 1.00 43.44 C ATOM 752 CD2 LEU A 47 1.752 9.703 4.589 1.00 55.44 C ATOM 0 H LEU A 47 0.607 5.040 3.807 1.00 4.21 H new ATOM 0 HA LEU A 47 3.235 5.660 4.300 1.00 21.41 H new ATOM 0 HB2 LEU A 47 1.592 7.204 3.318 1.00 25.35 H new ATOM 0 HB3 LEU A 47 0.706 7.279 4.828 1.00 25.35 H new ATOM 0 HG LEU A 47 2.737 8.335 5.896 1.00 3.11 H new ATOM 0 HD11 LEU A 47 4.449 9.305 4.415 1.00 43.44 H new ATOM 0 HD12 LEU A 47 4.437 7.527 4.338 1.00 43.44 H new ATOM 0 HD13 LEU A 47 3.707 8.479 3.023 1.00 43.44 H new ATOM 0 HD21 LEU A 47 2.356 10.556 4.897 1.00 55.44 H new ATOM 0 HD22 LEU A 47 1.511 9.792 3.530 1.00 55.44 H new ATOM 0 HD23 LEU A 47 0.830 9.683 5.170 1.00 55.44 H new ATOM 764 N ASN A 48 1.485 6.005 7.114 1.00 72.03 N ATOM 765 CA ASN A 48 1.602 6.031 8.579 1.00 1.21 C ATOM 766 C ASN A 48 2.264 4.758 9.131 1.00 33.43 C ATOM 767 O ASN A 48 2.840 4.774 10.218 1.00 33.30 O ATOM 768 CB ASN A 48 0.224 6.227 9.224 1.00 53.54 C ATOM 769 CG ASN A 48 -0.330 7.621 8.993 1.00 74.23 C ATOM 770 OD1 ASN A 48 -1.040 7.876 8.025 1.00 53.21 O ATOM 771 ND2 ASN A 48 -0.003 8.538 9.880 1.00 71.42 N ATOM 0 H ASN A 48 0.536 6.145 6.767 1.00 72.03 H new ATOM 0 HA ASN A 48 2.244 6.874 8.834 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.471 5.491 8.820 1.00 53.54 H new ATOM 0 HB3 ASN A 48 0.298 6.041 10.296 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -0.342 9.494 9.774 1.00 71.42 H new ATOM 0 HD22 ASN A 48 0.589 8.292 10.673 1.00 71.42 H new ATOM 778 N HIS A 49 2.193 3.663 8.376 1.00 72.21 N ATOM 779 CA HIS A 49 2.789 2.394 8.801 1.00 44.02 C ATOM 780 C HIS A 49 4.247 2.256 8.313 1.00 13.23 C ATOM 781 O HIS A 49 5.040 1.532 8.912 1.00 50.12 O ATOM 782 CB HIS A 49 1.942 1.216 8.303 1.00 42.23 C ATOM 783 CG HIS A 49 2.357 -0.102 8.882 1.00 74.25 C ATOM 784 ND1 HIS A 49 2.011 -0.508 10.153 1.00 73.20 N ATOM 785 CD2 HIS A 49 3.109 -1.103 8.368 1.00 70.33 C ATOM 786 CE1 HIS A 49 2.528 -1.691 10.393 1.00 34.33 C ATOM 787 NE2 HIS A 49 3.200 -2.080 9.329 1.00 44.20 N ATOM 0 H HIS A 49 1.730 3.627 7.468 1.00 72.21 H new ATOM 0 HA HIS A 49 2.806 2.384 9.891 1.00 44.02 H new ATOM 0 HB2 HIS A 49 0.896 1.400 8.550 1.00 42.23 H new ATOM 0 HB3 HIS A 49 2.008 1.164 7.216 1.00 42.23 H new ATOM 0 HD2 HIS A 49 3.555 -1.129 7.385 1.00 70.33 H new ATOM 0 HE1 HIS A 49 2.420 -2.252 11.310 1.00 34.33 H new ATOM 0 HE2 HIS A 49 3.705 -2.961 9.234 1.00 44.20 H new ATOM 796 N LEU A 50 4.593 2.946 7.223 1.00 34.00 N ATOM 797 CA LEU A 50 5.971 2.943 6.704 1.00 35.33 C ATOM 798 C LEU A 50 6.845 3.971 7.442 1.00 4.14 C ATOM 799 O LEU A 50 8.018 3.714 7.716 1.00 34.12 O ATOM 800 CB LEU A 50 5.990 3.199 5.183 1.00 11.12 C ATOM 801 CG LEU A 50 5.886 1.938 4.297 1.00 60.13 C ATOM 802 CD1 LEU A 50 7.086 1.020 4.523 1.00 4.31 C ATOM 803 CD2 LEU A 50 4.579 1.190 4.554 1.00 23.32 C ATOM 0 H LEU A 50 3.942 3.514 6.681 1.00 34.00 H new ATOM 0 HA LEU A 50 6.391 1.954 6.886 1.00 35.33 H new ATOM 0 HB2 LEU A 50 5.165 3.866 4.934 1.00 11.12 H new ATOM 0 HB3 LEU A 50 6.912 3.724 4.932 1.00 11.12 H new ATOM 0 HG LEU A 50 5.889 2.259 3.255 1.00 60.13 H new ATOM 0 HD11 LEU A 50 6.994 0.138 3.890 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.004 1.552 4.272 1.00 4.31 H new ATOM 0 HD13 LEU A 50 7.118 0.714 5.569 1.00 4.31 H new ATOM 0 HD21 LEU A 50 4.534 0.307 3.916 1.00 23.32 H new ATOM 0 HD22 LEU A 50 4.534 0.885 5.600 1.00 23.32 H new ATOM 0 HD23 LEU A 50 3.736 1.843 4.330 1.00 23.32 H new ATOM 815 N GLU A 51 6.277 5.135 7.760 1.00 62.31 N ATOM 816 CA GLU A 51 6.956 6.097 8.635 1.00 31.23 C ATOM 817 C GLU A 51 7.041 5.542 10.065 1.00 72.44 C ATOM 818 O GLU A 51 7.892 5.951 10.858 1.00 64.45 O ATOM 819 CB GLU A 51 6.249 7.460 8.621 1.00 73.14 C ATOM 820 CG GLU A 51 4.820 7.442 9.151 1.00 65.35 C ATOM 821 CD GLU A 51 4.186 8.825 9.151 1.00 2.25 C ATOM 822 OE1 GLU A 51 4.357 9.563 10.147 1.00 53.11 O ATOM 823 OE2 GLU A 51 3.529 9.192 8.156 1.00 4.33 O ATOM 0 H GLU A 51 5.359 5.434 7.430 1.00 62.31 H new ATOM 0 HA GLU A 51 7.967 6.248 8.256 1.00 31.23 H new ATOM 0 HB2 GLU A 51 6.833 8.163 9.215 1.00 73.14 H new ATOM 0 HB3 GLU A 51 6.238 7.838 7.599 1.00 73.14 H new ATOM 0 HG2 GLU A 51 4.217 6.769 8.541 1.00 65.35 H new ATOM 0 HG3 GLU A 51 4.816 7.043 10.165 1.00 65.35 H new ATOM 830 N ASP A 52 6.136 4.613 10.382 1.00 61.15 N ATOM 831 CA ASP A 52 6.213 3.829 11.616 1.00 41.04 C ATOM 832 C ASP A 52 7.415 2.870 11.555 1.00 62.24 C ATOM 833 O ASP A 52 8.399 3.039 12.282 1.00 21.22 O ATOM 834 CB ASP A 52 4.904 3.051 11.810 1.00 54.12 C ATOM 835 CG ASP A 52 4.892 2.202 13.066 1.00 41.43 C ATOM 836 OD1 ASP A 52 4.804 2.772 14.169 1.00 22.33 O ATOM 837 OD2 ASP A 52 4.936 0.960 12.956 1.00 11.13 O ATOM 0 H ASP A 52 5.334 4.384 9.794 1.00 61.15 H new ATOM 0 HA ASP A 52 6.353 4.497 12.466 1.00 41.04 H new ATOM 0 HB2 ASP A 52 4.073 3.755 11.848 1.00 54.12 H new ATOM 0 HB3 ASP A 52 4.739 2.409 10.944 1.00 54.12 H new ATOM 842 N GLU A 53 7.335 1.864 10.682 1.00 23.51 N ATOM 843 CA GLU A 53 8.484 1.000 10.388 1.00 4.51 C ATOM 844 C GLU A 53 9.478 1.752 9.493 1.00 42.35 C ATOM 845 O GLU A 53 10.290 1.138 8.789 1.00 63.32 O ATOM 846 CB GLU A 53 8.028 -0.296 9.689 1.00 11.53 C ATOM 847 CG GLU A 53 7.030 -1.134 10.484 1.00 62.02 C ATOM 848 CD GLU A 53 6.704 -2.458 9.799 1.00 73.40 C ATOM 849 OE1 GLU A 53 5.910 -2.459 8.834 1.00 33.30 O ATOM 850 OE2 GLU A 53 7.250 -3.504 10.211 1.00 62.21 O ATOM 0 H GLU A 53 6.488 1.626 10.166 1.00 23.51 H new ATOM 0 HA GLU A 53 8.968 0.733 11.327 1.00 4.51 H new ATOM 0 HB2 GLU A 53 7.581 -0.037 8.729 1.00 11.53 H new ATOM 0 HB3 GLU A 53 8.906 -0.906 9.477 1.00 11.53 H new ATOM 0 HG2 GLU A 53 7.435 -1.332 11.476 1.00 62.02 H new ATOM 0 HG3 GLU A 53 6.111 -0.564 10.623 1.00 62.02 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -15.839 -23.594 -3.054 1.00 74.31 N ATOM 859 CA MET B 201 -15.394 -23.190 -4.393 1.00 60.35 C ATOM 860 C MET B 201 -16.583 -22.850 -5.315 1.00 20.14 C ATOM 861 O MET B 201 -16.396 -22.318 -6.411 1.00 71.24 O ATOM 862 CB MET B 201 -14.514 -24.276 -5.036 1.00 71.12 C ATOM 863 CG MET B 201 -13.172 -24.483 -4.335 1.00 1.10 C ATOM 864 SD MET B 201 -13.310 -25.419 -2.796 1.00 3.20 S ATOM 865 CE MET B 201 -13.667 -27.057 -3.431 1.00 43.33 C ATOM 0 HA MET B 201 -14.797 -22.286 -4.270 1.00 60.35 H new ATOM 0 HB2 MET B 201 -15.061 -25.219 -5.037 1.00 71.12 H new ATOM 0 HB3 MET B 201 -14.331 -24.012 -6.078 1.00 71.12 H new ATOM 0 HG2 MET B 201 -12.493 -25.004 -5.010 1.00 1.10 H new ATOM 0 HG3 MET B 201 -12.726 -23.511 -4.123 1.00 1.10 H new ATOM 0 HE1 MET B 201 -13.451 -27.800 -2.663 1.00 43.33 H new ATOM 0 HE2 MET B 201 -14.719 -27.118 -3.709 1.00 43.33 H new ATOM 0 HE3 MET B 201 -13.048 -27.250 -4.307 1.00 43.33 H new ATOM 875 N VAL B 202 -17.802 -23.161 -4.867 1.00 31.44 N ATOM 876 CA VAL B 202 -19.024 -22.802 -5.606 1.00 11.14 C ATOM 877 C VAL B 202 -19.184 -21.275 -5.740 1.00 22.42 C ATOM 878 O VAL B 202 -19.770 -20.780 -6.704 1.00 73.22 O ATOM 879 CB VAL B 202 -20.287 -23.386 -4.913 1.00 54.30 C ATOM 880 CG1 VAL B 202 -20.420 -22.866 -3.478 1.00 62.33 C ATOM 881 CG2 VAL B 202 -21.550 -23.078 -5.721 1.00 54.51 C ATOM 0 H VAL B 202 -17.973 -23.662 -3.995 1.00 31.44 H new ATOM 0 HA VAL B 202 -18.924 -23.232 -6.603 1.00 11.14 H new ATOM 0 HB VAL B 202 -20.169 -24.469 -4.869 1.00 54.30 H new ATOM 0 HG11 VAL B 202 -21.312 -23.291 -3.018 1.00 62.33 H new ATOM 0 HG12 VAL B 202 -19.541 -23.157 -2.903 1.00 62.33 H new ATOM 0 HG13 VAL B 202 -20.501 -21.779 -3.491 1.00 62.33 H new ATOM 0 HG21 VAL B 202 -22.418 -23.498 -5.213 1.00 54.51 H new ATOM 0 HG22 VAL B 202 -21.670 -21.998 -5.812 1.00 54.51 H new ATOM 0 HG23 VAL B 202 -21.463 -23.518 -6.714 1.00 54.51 H new ATOM 891 N GLY B 203 -18.651 -20.545 -4.768 1.00 53.41 N ATOM 892 CA GLY B 203 -18.790 -19.094 -4.744 1.00 41.25 C ATOM 893 C GLY B 203 -18.660 -18.533 -3.333 1.00 34.15 C ATOM 894 O GLY B 203 -19.572 -17.879 -2.825 1.00 43.02 O ATOM 0 H GLY B 203 -18.120 -20.932 -3.988 1.00 53.41 H new ATOM 0 HA2 GLY B 203 -18.030 -18.646 -5.384 1.00 41.25 H new ATOM 0 HA3 GLY B 203 -19.759 -18.815 -5.157 1.00 41.25 H new ATOM 898 N ARG B 204 -17.524 -18.806 -2.698 1.00 32.31 N ATOM 899 CA ARG B 204 -17.269 -18.380 -1.316 1.00 2.21 C ATOM 900 C ARG B 204 -16.251 -17.230 -1.256 1.00 22.25 C ATOM 901 O ARG B 204 -15.905 -16.638 -2.280 1.00 72.12 O ATOM 902 CB ARG B 204 -16.770 -19.577 -0.492 1.00 32.41 C ATOM 903 CG ARG B 204 -17.784 -20.715 -0.382 1.00 4.51 C ATOM 904 CD ARG B 204 -19.083 -20.248 0.271 1.00 51.02 C ATOM 905 NE ARG B 204 -20.039 -21.339 0.445 1.00 61.42 N ATOM 906 CZ ARG B 204 -21.209 -21.203 1.008 1.00 1.11 C ATOM 907 NH1 ARG B 204 -21.614 -20.050 1.429 1.00 31.34 N ATOM 908 NH2 ARG B 204 -21.976 -22.229 1.150 1.00 41.42 N ATOM 0 H ARG B 204 -16.755 -19.326 -3.120 1.00 32.31 H new ATOM 0 HA ARG B 204 -18.204 -18.011 -0.895 1.00 2.21 H new ATOM 0 HB2 ARG B 204 -15.855 -19.961 -0.943 1.00 32.41 H new ATOM 0 HB3 ARG B 204 -16.512 -19.234 0.510 1.00 32.41 H new ATOM 0 HG2 ARG B 204 -17.997 -21.111 -1.375 1.00 4.51 H new ATOM 0 HG3 ARG B 204 -17.355 -21.530 0.201 1.00 4.51 H new ATOM 0 HD2 ARG B 204 -18.860 -19.805 1.242 1.00 51.02 H new ATOM 0 HD3 ARG B 204 -19.534 -19.467 -0.340 1.00 51.02 H new ATOM 0 HE ARG B 204 -19.776 -22.264 0.106 1.00 61.42 H new ATOM 0 HH11 ARG B 204 -21.017 -19.230 1.323 1.00 31.34 H new ATOM 0 HH12 ARG B 204 -22.531 -19.960 1.867 1.00 31.34 H new ATOM 0 HH21 ARG B 204 -21.668 -23.145 0.823 1.00 41.42 H new ATOM 0 HH22 ARG B 204 -22.891 -22.125 1.590 1.00 41.42 H new ATOM 922 N ARG B 205 -15.781 -16.917 -0.048 1.00 64.23 N ATOM 923 CA ARG B 205 -14.807 -15.838 0.145 1.00 62.04 C ATOM 924 C ARG B 205 -13.426 -16.205 -0.428 1.00 72.43 C ATOM 925 O ARG B 205 -13.078 -17.383 -0.536 1.00 74.51 O ATOM 926 CB ARG B 205 -14.657 -15.497 1.640 1.00 64.22 C ATOM 927 CG ARG B 205 -13.984 -16.594 2.470 1.00 42.31 C ATOM 928 CD ARG B 205 -13.504 -16.070 3.823 1.00 22.25 C ATOM 929 NE ARG B 205 -12.497 -15.012 3.681 1.00 51.24 N ATOM 930 CZ ARG B 205 -11.656 -14.654 4.622 1.00 25.24 C ATOM 931 NH1 ARG B 205 -11.621 -15.274 5.757 1.00 52.51 N ATOM 932 NH2 ARG B 205 -10.831 -13.678 4.413 1.00 64.54 N ATOM 0 H ARG B 205 -16.057 -17.393 0.811 1.00 64.23 H new ATOM 0 HA ARG B 205 -15.188 -14.970 -0.393 1.00 62.04 H new ATOM 0 HB2 ARG B 205 -14.078 -14.578 1.735 1.00 64.22 H new ATOM 0 HB3 ARG B 205 -15.644 -15.296 2.056 1.00 64.22 H new ATOM 0 HG2 ARG B 205 -14.686 -17.413 2.626 1.00 42.31 H new ATOM 0 HG3 ARG B 205 -13.137 -17.000 1.917 1.00 42.31 H new ATOM 0 HD2 ARG B 205 -14.355 -15.686 4.385 1.00 22.25 H new ATOM 0 HD3 ARG B 205 -13.085 -16.893 4.402 1.00 22.25 H new ATOM 0 HE ARG B 205 -12.448 -14.521 2.788 1.00 51.24 H new ATOM 0 HH11 ARG B 205 -12.254 -16.055 5.931 1.00 52.51 H new ATOM 0 HH12 ARG B 205 -10.961 -14.982 6.477 1.00 52.51 H new ATOM 0 HH21 ARG B 205 -10.836 -13.189 3.518 1.00 64.54 H new ATOM 0 HH22 ARG B 205 -10.176 -13.398 5.144 1.00 64.54 H new ATOM 946 N PRO B 206 -12.616 -15.195 -0.798 1.00 11.05 N ATOM 947 CA PRO B 206 -11.231 -15.412 -1.247 1.00 41.23 C ATOM 948 C PRO B 206 -10.298 -15.835 -0.097 1.00 32.41 C ATOM 949 O PRO B 206 -10.595 -15.594 1.079 1.00 21.01 O ATOM 950 CB PRO B 206 -10.829 -14.039 -1.799 1.00 10.20 C ATOM 951 CG PRO B 206 -11.672 -13.071 -1.045 1.00 63.34 C ATOM 952 CD PRO B 206 -12.986 -13.765 -0.822 1.00 42.14 C ATOM 0 HA PRO B 206 -11.154 -16.220 -1.975 1.00 41.23 H new ATOM 0 HB2 PRO B 206 -9.768 -13.845 -1.645 1.00 10.20 H new ATOM 0 HB3 PRO B 206 -11.012 -13.973 -2.871 1.00 10.20 H new ATOM 0 HG2 PRO B 206 -11.206 -12.801 -0.097 1.00 63.34 H new ATOM 0 HG3 PRO B 206 -11.807 -12.148 -1.608 1.00 63.34 H new ATOM 0 HD2 PRO B 206 -13.451 -13.454 0.113 1.00 42.14 H new ATOM 0 HD3 PRO B 206 -13.696 -13.547 -1.619 1.00 42.14 H new ATOM 960 N GLY B 207 -9.169 -16.458 -0.439 1.00 14.33 N ATOM 961 CA GLY B 207 -8.239 -16.932 0.584 1.00 31.53 C ATOM 962 C GLY B 207 -6.937 -17.495 0.016 1.00 42.55 C ATOM 963 O GLY B 207 -6.625 -18.671 0.206 1.00 53.55 O ATOM 0 H GLY B 207 -8.881 -16.643 -1.400 1.00 14.33 H new ATOM 0 HA2 GLY B 207 -8.005 -16.109 1.259 1.00 31.53 H new ATOM 0 HA3 GLY B 207 -8.729 -17.703 1.179 1.00 31.53 H new ATOM 967 N GLY B 208 -6.178 -16.656 -0.687 1.00 23.30 N ATOM 968 CA GLY B 208 -4.883 -17.075 -1.226 1.00 42.42 C ATOM 969 C GLY B 208 -3.924 -15.909 -1.465 1.00 52.32 C ATOM 970 O GLY B 208 -2.977 -15.705 -0.704 1.00 34.42 O ATOM 0 H GLY B 208 -6.433 -15.691 -0.896 1.00 23.30 H new ATOM 0 HA2 GLY B 208 -4.421 -17.781 -0.536 1.00 42.42 H new ATOM 0 HA3 GLY B 208 -5.042 -17.605 -2.165 1.00 42.42 H new ATOM 974 N GLY B 209 -4.179 -15.136 -2.519 1.00 32.04 N ATOM 975 CA GLY B 209 -3.317 -14.007 -2.860 1.00 15.04 C ATOM 976 C GLY B 209 -3.014 -13.881 -4.357 1.00 63.04 C ATOM 977 O GLY B 209 -2.260 -12.998 -4.764 1.00 65.44 O ATOM 0 H GLY B 209 -4.971 -15.270 -3.148 1.00 32.04 H new ATOM 0 HA2 GLY B 209 -3.789 -13.086 -2.517 1.00 15.04 H new ATOM 0 HA3 GLY B 209 -2.377 -14.104 -2.317 1.00 15.04 H new ATOM 981 N LEU B 210 -3.614 -14.744 -5.185 1.00 40.14 N ATOM 982 CA LEU B 210 -3.331 -14.754 -6.633 1.00 61.21 C ATOM 983 C LEU B 210 -4.457 -14.081 -7.448 1.00 61.51 C ATOM 984 O LEU B 210 -4.397 -12.888 -7.741 1.00 73.42 O ATOM 985 CB LEU B 210 -3.109 -16.196 -7.122 1.00 53.40 C ATOM 986 CG LEU B 210 -1.929 -16.938 -6.465 1.00 4.03 C ATOM 987 CD1 LEU B 210 -1.827 -18.370 -6.986 1.00 44.14 C ATOM 988 CD2 LEU B 210 -0.621 -16.184 -6.700 1.00 60.21 C ATOM 0 H LEU B 210 -4.295 -15.442 -4.884 1.00 40.14 H new ATOM 0 HA LEU B 210 -2.421 -14.175 -6.792 1.00 61.21 H new ATOM 0 HB2 LEU B 210 -4.020 -16.767 -6.945 1.00 53.40 H new ATOM 0 HB3 LEU B 210 -2.950 -16.176 -8.200 1.00 53.40 H new ATOM 0 HG LEU B 210 -2.112 -16.982 -5.391 1.00 4.03 H new ATOM 0 HD11 LEU B 210 -0.987 -18.872 -6.507 1.00 44.14 H new ATOM 0 HD12 LEU B 210 -2.748 -18.906 -6.758 1.00 44.14 H new ATOM 0 HD13 LEU B 210 -1.673 -18.355 -8.065 1.00 44.14 H new ATOM 0 HD21 LEU B 210 0.200 -16.724 -6.228 1.00 60.21 H new ATOM 0 HD22 LEU B 210 -0.435 -16.104 -7.771 1.00 60.21 H new ATOM 0 HD23 LEU B 210 -0.694 -15.186 -6.269 1.00 60.21 H new ATOM 1000 N LYS B 211 -5.483 -14.856 -7.811 1.00 65.22 N ATOM 1001 CA LYS B 211 -6.619 -14.337 -8.597 1.00 62.05 C ATOM 1002 C LYS B 211 -7.782 -13.923 -7.683 1.00 52.44 C ATOM 1003 O LYS B 211 -8.731 -13.263 -8.114 1.00 62.04 O ATOM 1004 CB LYS B 211 -7.110 -15.401 -9.594 1.00 65.30 C ATOM 1005 CG LYS B 211 -7.518 -16.719 -8.933 1.00 0.24 C ATOM 1006 CD LYS B 211 -8.269 -17.639 -9.894 1.00 43.12 C ATOM 1007 CE LYS B 211 -7.436 -18.020 -11.113 1.00 52.51 C ATOM 1008 NZ LYS B 211 -8.186 -18.922 -12.029 1.00 20.02 N ATOM 0 H LYS B 211 -5.555 -15.846 -7.576 1.00 65.22 H new ATOM 0 HA LYS B 211 -6.271 -13.459 -9.141 1.00 62.05 H new ATOM 0 HB2 LYS B 211 -7.961 -15.003 -10.147 1.00 65.30 H new ATOM 0 HB3 LYS B 211 -6.321 -15.597 -10.320 1.00 65.30 H new ATOM 0 HG2 LYS B 211 -6.628 -17.230 -8.565 1.00 0.24 H new ATOM 0 HG3 LYS B 211 -8.146 -16.510 -8.067 1.00 0.24 H new ATOM 0 HD2 LYS B 211 -8.568 -18.544 -9.365 1.00 43.12 H new ATOM 0 HD3 LYS B 211 -9.183 -17.146 -10.223 1.00 43.12 H new ATOM 0 HE2 LYS B 211 -7.142 -17.118 -11.650 1.00 52.51 H new ATOM 0 HE3 LYS B 211 -6.519 -18.511 -10.788 1.00 52.51 H new ATOM 0 HZ1 LYS B 211 -7.589 -19.161 -12.847 1.00 20.02 H new ATOM 0 HZ2 LYS B 211 -8.445 -19.793 -11.523 1.00 20.02 H new ATOM 0 HZ3 LYS B 211 -9.049 -18.443 -12.358 1.00 20.02 H new ATOM 1022 N ASP B 212 -7.697 -14.332 -6.425 1.00 10.02 N ATOM 1023 CA ASP B 212 -8.743 -14.076 -5.436 1.00 35.42 C ATOM 1024 C ASP B 212 -8.654 -12.648 -4.869 1.00 50.13 C ATOM 1025 O ASP B 212 -9.663 -12.050 -4.499 1.00 64.41 O ATOM 1026 CB ASP B 212 -8.633 -15.113 -4.315 1.00 13.24 C ATOM 1027 CG ASP B 212 -7.247 -15.149 -3.698 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -6.289 -15.540 -4.404 1.00 21.31 O ATOM 1029 OD2 ASP B 212 -7.101 -14.772 -2.517 1.00 51.35 O ATOM 0 H ASP B 212 -6.900 -14.852 -6.057 1.00 10.02 H new ATOM 0 HA ASP B 212 -9.714 -14.163 -5.923 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -9.367 -14.888 -3.541 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -8.878 -16.099 -4.710 1.00 13.24 H new ATOM 1034 N THR B 213 -7.439 -12.107 -4.803 1.00 71.24 N ATOM 1035 CA THR B 213 -7.227 -10.734 -4.320 1.00 63.41 C ATOM 1036 C THR B 213 -7.163 -9.743 -5.486 1.00 72.13 C ATOM 1037 O THR B 213 -6.450 -9.967 -6.465 1.00 2.42 O ATOM 1038 CB THR B 213 -5.924 -10.602 -3.498 1.00 52.41 C ATOM 1039 OG1 THR B 213 -4.783 -10.895 -4.319 1.00 54.34 O ATOM 1040 CG2 THR B 213 -5.939 -11.537 -2.295 1.00 21.44 C ATOM 0 H THR B 213 -6.585 -12.593 -5.076 1.00 71.24 H new ATOM 0 HA THR B 213 -8.078 -10.503 -3.679 1.00 63.41 H new ATOM 0 HB THR B 213 -5.858 -9.574 -3.141 1.00 52.41 H new ATOM 0 HG1 THR B 213 -3.987 -10.979 -3.754 1.00 54.34 H new ATOM 0 HG21 THR B 213 -5.011 -11.424 -1.735 1.00 21.44 H new ATOM 0 HG22 THR B 213 -6.784 -11.289 -1.652 1.00 21.44 H new ATOM 0 HG23 THR B 213 -6.033 -12.568 -2.637 1.00 21.44 H new ATOM 1048 N LYS B 214 -7.902 -8.644 -5.378 1.00 14.15 N ATOM 1049 CA LYS B 214 -7.970 -7.652 -6.454 1.00 31.33 C ATOM 1050 C LYS B 214 -6.808 -6.643 -6.355 1.00 4.14 C ATOM 1051 O LYS B 214 -6.464 -6.184 -5.262 1.00 0.32 O ATOM 1052 CB LYS B 214 -9.326 -6.926 -6.416 1.00 55.04 C ATOM 1053 CG LYS B 214 -10.529 -7.868 -6.302 1.00 73.23 C ATOM 1054 CD LYS B 214 -10.584 -8.897 -7.435 1.00 12.20 C ATOM 1055 CE LYS B 214 -10.809 -8.246 -8.795 1.00 24.14 C ATOM 1056 NZ LYS B 214 -10.937 -9.256 -9.882 1.00 53.13 N ATOM 0 H LYS B 214 -8.463 -8.414 -4.558 1.00 14.15 H new ATOM 0 HA LYS B 214 -7.876 -8.172 -7.407 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -9.335 -6.237 -5.572 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -9.431 -6.325 -7.319 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -10.488 -8.389 -5.345 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -11.447 -7.280 -6.306 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -9.653 -9.463 -7.455 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -11.385 -9.609 -7.238 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -11.711 -7.635 -8.760 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -9.979 -7.576 -9.018 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -11.089 -8.772 -10.790 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -10.067 -9.823 -9.933 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -11.745 -9.880 -9.683 1.00 53.13 H new ATOM 1070 N PRO B 215 -6.183 -6.289 -7.498 1.00 11.30 N ATOM 1071 CA PRO B 215 -5.004 -5.411 -7.526 1.00 10.25 C ATOM 1072 C PRO B 215 -5.339 -3.906 -7.592 1.00 31.13 C ATOM 1073 O PRO B 215 -6.284 -3.491 -8.266 1.00 45.22 O ATOM 1074 CB PRO B 215 -4.309 -5.863 -8.811 1.00 62.13 C ATOM 1075 CG PRO B 215 -5.431 -6.226 -9.730 1.00 54.32 C ATOM 1076 CD PRO B 215 -6.562 -6.726 -8.858 1.00 44.43 C ATOM 0 HA PRO B 215 -4.410 -5.498 -6.616 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.693 -5.068 -9.231 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -3.652 -6.714 -8.630 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -5.746 -5.363 -10.316 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -5.119 -6.994 -10.437 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -7.519 -6.301 -9.162 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -6.662 -7.810 -8.916 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.545 -3.100 -6.884 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.666 -1.634 -6.911 1.00 61.32 C ATOM 1086 C VAL B 216 -3.275 -0.980 -7.001 1.00 75.33 C ATOM 1087 O VAL B 216 -2.385 -1.290 -6.206 1.00 54.23 O ATOM 1088 CB VAL B 216 -5.393 -1.091 -5.649 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.517 0.434 -5.703 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.768 -1.740 -5.489 1.00 2.01 C ATOM 0 H VAL B 216 -3.800 -3.441 -6.276 1.00 2.22 H new ATOM 0 HA VAL B 216 -5.257 -1.380 -7.791 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.792 -1.352 -4.778 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -6.029 0.789 -4.809 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.523 0.878 -5.752 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -6.087 0.722 -6.586 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -7.256 -1.343 -4.599 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -7.378 -1.521 -6.365 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -6.652 -2.819 -5.388 1.00 2.01 H new ATOM 1100 N VAL B 217 -3.082 -0.089 -7.974 1.00 15.32 N ATOM 1101 CA VAL B 217 -1.799 0.607 -8.131 1.00 21.33 C ATOM 1102 C VAL B 217 -1.679 1.802 -7.162 1.00 42.13 C ATOM 1103 O VAL B 217 -2.333 2.833 -7.329 1.00 43.51 O ATOM 1104 CB VAL B 217 -1.575 1.080 -9.595 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -2.713 1.983 -10.076 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -0.222 1.783 -9.734 1.00 4.52 C ATOM 0 H VAL B 217 -3.790 0.168 -8.662 1.00 15.32 H new ATOM 0 HA VAL B 217 -1.020 -0.115 -7.884 1.00 21.33 H new ATOM 0 HB VAL B 217 -1.570 0.196 -10.232 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -2.522 2.294 -11.103 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -3.655 1.436 -10.032 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -2.774 2.863 -9.436 1.00 71.52 H new ATOM 0 HG21 VAL B 217 -0.084 2.106 -10.766 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -0.193 2.651 -9.075 1.00 4.52 H new ATOM 0 HG23 VAL B 217 0.576 1.093 -9.460 1.00 4.52 H new ATOM 1116 N VAL B 218 -0.842 1.648 -6.139 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.642 2.688 -5.119 1.00 54.25 C ATOM 1118 C VAL B 218 0.767 3.303 -5.226 1.00 15.42 C ATOM 1119 O VAL B 218 1.701 2.655 -5.689 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.840 2.101 -3.695 1.00 72.24 C ATOM 1121 CG1 VAL B 218 -0.778 3.193 -2.624 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -2.157 1.328 -3.615 1.00 2.55 C ATOM 0 H VAL B 218 -0.284 0.807 -5.989 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.382 3.469 -5.294 1.00 54.25 H new ATOM 0 HB VAL B 218 -0.021 1.409 -3.500 1.00 72.24 H new ATOM 0 HG11 VAL B 218 -0.921 2.746 -1.640 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.194 3.685 -2.662 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -1.563 3.927 -2.806 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -2.281 0.923 -2.611 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.986 1.998 -3.841 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -2.144 0.511 -4.337 1.00 2.55 H new ATOM 1132 N ARG B 219 0.912 4.558 -4.803 1.00 5.14 N ATOM 1133 CA ARG B 219 2.207 5.252 -4.859 1.00 52.05 C ATOM 1134 C ARG B 219 2.764 5.523 -3.451 1.00 4.22 C ATOM 1135 O ARG B 219 2.009 5.814 -2.521 1.00 55.10 O ATOM 1136 CB ARG B 219 2.067 6.570 -5.631 1.00 23.52 C ATOM 1137 CG ARG B 219 1.593 6.394 -7.070 1.00 60.45 C ATOM 1138 CD ARG B 219 1.501 7.729 -7.804 1.00 44.15 C ATOM 1139 NE ARG B 219 2.807 8.379 -7.934 1.00 12.01 N ATOM 1140 CZ ARG B 219 2.977 9.667 -8.084 1.00 22.00 C ATOM 1141 NH1 ARG B 219 1.968 10.476 -8.109 1.00 41.44 N ATOM 1142 NH2 ARG B 219 4.168 10.149 -8.216 1.00 73.25 N ATOM 0 H ARG B 219 0.152 5.118 -4.417 1.00 5.14 H new ATOM 0 HA ARG B 219 2.911 4.602 -5.378 1.00 52.05 H new ATOM 0 HB2 ARG B 219 1.365 7.216 -5.104 1.00 23.52 H new ATOM 0 HB3 ARG B 219 3.030 7.081 -5.635 1.00 23.52 H new ATOM 0 HG2 ARG B 219 2.279 5.734 -7.601 1.00 60.45 H new ATOM 0 HG3 ARG B 219 0.617 5.909 -7.074 1.00 60.45 H new ATOM 0 HD2 ARG B 219 1.077 7.568 -8.795 1.00 44.15 H new ATOM 0 HD3 ARG B 219 0.820 8.390 -7.269 1.00 44.15 H new ATOM 0 HE ARG B 219 3.638 7.789 -7.906 1.00 12.01 H new ATOM 0 HH11 ARG B 219 1.020 10.112 -8.011 1.00 41.44 H new ATOM 0 HH12 ARG B 219 2.120 11.478 -8.227 1.00 41.44 H new ATOM 0 HH21 ARG B 219 4.975 9.525 -8.203 1.00 73.25 H new ATOM 0 HH22 ARG B 219 4.302 11.153 -8.333 1.00 73.25 H new ATOM 1156 N LEU B 220 4.086 5.427 -3.303 1.00 24.45 N ATOM 1157 CA LEU B 220 4.747 5.652 -2.009 1.00 33.15 C ATOM 1158 C LEU B 220 6.121 6.323 -2.196 1.00 70.33 C ATOM 1159 O LEU B 220 6.707 6.272 -3.283 1.00 31.03 O ATOM 1160 CB LEU B 220 4.897 4.318 -1.259 1.00 53.33 C ATOM 1161 CG LEU B 220 5.437 4.422 0.179 1.00 54.10 C ATOM 1162 CD1 LEU B 220 4.513 5.266 1.056 1.00 73.21 C ATOM 1163 CD2 LEU B 220 5.634 3.035 0.783 1.00 2.15 C ATOM 0 H LEU B 220 4.725 5.194 -4.063 1.00 24.45 H new ATOM 0 HA LEU B 220 4.126 6.325 -1.418 1.00 33.15 H new ATOM 0 HB2 LEU B 220 3.924 3.827 -1.228 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.562 3.672 -1.832 1.00 53.33 H new ATOM 0 HG LEU B 220 6.406 4.920 0.137 1.00 54.10 H new ATOM 0 HD11 LEU B 220 4.920 5.322 2.066 1.00 73.21 H new ATOM 0 HD12 LEU B 220 4.435 6.271 0.641 1.00 73.21 H new ATOM 0 HD13 LEU B 220 3.524 4.809 1.088 1.00 73.21 H new ATOM 0 HD21 LEU B 220 6.016 3.132 1.799 1.00 2.15 H new ATOM 0 HD22 LEU B 220 4.680 2.508 0.803 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.347 2.473 0.179 1.00 2.15 H new ATOM 1175 N TYR B 221 6.626 6.958 -1.138 1.00 41.14 N ATOM 1176 CA TYR B 221 7.900 7.686 -1.195 1.00 63.23 C ATOM 1177 C TYR B 221 9.102 6.736 -1.392 1.00 1.52 C ATOM 1178 O TYR B 221 9.182 5.677 -0.766 1.00 12.14 O ATOM 1179 CB TYR B 221 8.075 8.525 0.079 1.00 31.43 C ATOM 1180 CG TYR B 221 7.030 9.617 0.223 1.00 62.24 C ATOM 1181 CD1 TYR B 221 5.782 9.351 0.784 1.00 2.55 C ATOM 1182 CD2 TYR B 221 7.284 10.911 -0.217 1.00 42.33 C ATOM 1183 CE1 TYR B 221 4.826 10.341 0.899 1.00 34.35 C ATOM 1184 CE2 TYR B 221 6.334 11.906 -0.101 1.00 73.13 C ATOM 1185 CZ TYR B 221 5.106 11.616 0.456 1.00 72.11 C ATOM 1186 OH TYR B 221 4.156 12.605 0.564 1.00 12.14 O ATOM 0 H TYR B 221 6.172 6.984 -0.225 1.00 41.14 H new ATOM 0 HA TYR B 221 7.871 8.346 -2.062 1.00 63.23 H new ATOM 0 HB2 TYR B 221 8.028 7.869 0.948 1.00 31.43 H new ATOM 0 HB3 TYR B 221 9.066 8.978 0.075 1.00 31.43 H new ATOM 0 HD1 TYR B 221 5.559 8.354 1.135 1.00 2.55 H new ATOM 0 HD2 TYR B 221 8.242 11.142 -0.658 1.00 42.33 H new ATOM 0 HE1 TYR B 221 3.863 10.117 1.334 1.00 34.35 H new ATOM 0 HE2 TYR B 221 6.551 12.907 -0.445 1.00 73.13 H new ATOM 0 HH TYR B 221 4.515 13.444 0.206 1.00 12.14 H new ATOM 1196 N PRO B 222 10.067 7.126 -2.257 1.00 22.33 N ATOM 1197 CA PRO B 222 11.196 6.254 -2.655 1.00 61.25 C ATOM 1198 C PRO B 222 12.125 5.855 -1.492 1.00 52.32 C ATOM 1199 O PRO B 222 12.628 4.729 -1.453 1.00 32.04 O ATOM 1200 CB PRO B 222 11.955 7.103 -3.692 1.00 22.23 C ATOM 1201 CG PRO B 222 11.570 8.512 -3.387 1.00 50.30 C ATOM 1202 CD PRO B 222 10.145 8.451 -2.906 1.00 64.22 C ATOM 0 HA PRO B 222 10.834 5.298 -3.035 1.00 61.25 H new ATOM 0 HB2 PRO B 222 13.032 6.960 -3.608 1.00 22.23 H new ATOM 0 HB3 PRO B 222 11.676 6.828 -4.709 1.00 22.23 H new ATOM 0 HG2 PRO B 222 12.222 8.940 -2.625 1.00 50.30 H new ATOM 0 HG3 PRO B 222 11.658 9.142 -4.272 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.921 9.256 -2.207 1.00 64.22 H new ATOM 0 HD3 PRO B 222 9.437 8.538 -3.730 1.00 64.22 H new ATOM 1210 N ASP B 223 12.351 6.772 -0.552 1.00 41.55 N ATOM 1211 CA ASP B 223 13.250 6.515 0.577 1.00 73.54 C ATOM 1212 C ASP B 223 12.651 5.492 1.561 1.00 33.04 C ATOM 1213 O ASP B 223 13.352 4.600 2.045 1.00 50.04 O ATOM 1214 CB ASP B 223 13.604 7.832 1.291 1.00 44.15 C ATOM 1215 CG ASP B 223 12.392 8.631 1.750 1.00 44.22 C ATOM 1216 OD1 ASP B 223 11.268 8.372 1.267 1.00 34.34 O ATOM 1217 OD2 ASP B 223 12.568 9.536 2.595 1.00 72.32 O ATOM 0 H ASP B 223 11.925 7.699 -0.548 1.00 41.55 H new ATOM 0 HA ASP B 223 14.168 6.079 0.182 1.00 73.54 H new ATOM 0 HB2 ASP B 223 14.228 7.608 2.156 1.00 44.15 H new ATOM 0 HB3 ASP B 223 14.200 8.449 0.619 1.00 44.15 H new ATOM 1222 N GLU B 224 11.354 5.615 1.840 1.00 34.43 N ATOM 1223 CA GLU B 224 10.647 4.637 2.673 1.00 51.14 C ATOM 1224 C GLU B 224 10.632 3.254 2.000 1.00 63.12 C ATOM 1225 O GLU B 224 10.827 2.226 2.657 1.00 74.24 O ATOM 1226 CB GLU B 224 9.217 5.116 2.958 1.00 3.14 C ATOM 1227 CG GLU B 224 9.163 6.438 3.717 1.00 0.34 C ATOM 1228 CD GLU B 224 7.744 6.906 4.013 1.00 43.32 C ATOM 1229 OE1 GLU B 224 7.148 7.589 3.154 1.00 71.34 O ATOM 1230 OE2 GLU B 224 7.234 6.618 5.117 1.00 41.13 O ATOM 0 H GLU B 224 10.770 6.380 1.503 1.00 34.43 H new ATOM 0 HA GLU B 224 11.178 4.545 3.621 1.00 51.14 H new ATOM 0 HB2 GLU B 224 8.683 5.225 2.014 1.00 3.14 H new ATOM 0 HB3 GLU B 224 8.694 4.353 3.534 1.00 3.14 H new ATOM 0 HG2 GLU B 224 9.706 6.332 4.656 1.00 0.34 H new ATOM 0 HG3 GLU B 224 9.677 7.204 3.136 1.00 0.34 H new ATOM 1237 N ILE B 225 10.413 3.237 0.682 1.00 41.11 N ATOM 1238 CA ILE B 225 10.483 1.996 -0.103 1.00 11.23 C ATOM 1239 C ILE B 225 11.897 1.388 -0.054 1.00 54.32 C ATOM 1240 O ILE B 225 12.058 0.166 0.026 1.00 54.15 O ATOM 1241 CB ILE B 225 10.076 2.233 -1.583 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.625 2.740 -1.668 1.00 11.22 C ATOM 1243 CG2 ILE B 225 10.245 0.953 -2.406 1.00 3.35 C ATOM 1244 CD1 ILE B 225 8.173 3.079 -3.075 1.00 72.13 C ATOM 0 H ILE B 225 10.186 4.067 0.134 1.00 41.11 H new ATOM 0 HA ILE B 225 9.777 1.298 0.346 1.00 11.23 H new ATOM 0 HB ILE B 225 10.735 2.995 -1.999 1.00 41.51 H new ATOM 0 HG12 ILE B 225 7.961 1.980 -1.257 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.523 3.626 -1.041 1.00 11.22 H new ATOM 0 HG21 ILE B 225 9.954 1.144 -3.439 1.00 3.35 H new ATOM 0 HG22 ILE B 225 11.287 0.636 -2.375 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.614 0.167 -1.990 1.00 3.35 H new ATOM 0 HD11 ILE B 225 7.141 3.429 -3.051 1.00 72.13 H new ATOM 0 HD12 ILE B 225 8.812 3.862 -3.484 1.00 72.13 H new ATOM 0 HD13 ILE B 225 8.241 2.191 -3.703 1.00 72.13 H new ATOM 1256 N GLU B 226 12.920 2.247 -0.099 1.00 72.13 N ATOM 1257 CA GLU B 226 14.315 1.796 0.000 1.00 64.05 C ATOM 1258 C GLU B 226 14.584 1.102 1.345 1.00 15.23 C ATOM 1259 O GLU B 226 15.096 -0.019 1.387 1.00 1.24 O ATOM 1260 CB GLU B 226 15.280 2.976 -0.186 1.00 22.23 C ATOM 1261 CG GLU B 226 16.751 2.590 -0.041 1.00 33.24 C ATOM 1262 CD GLU B 226 17.703 3.743 -0.316 1.00 10.41 C ATOM 1263 OE1 GLU B 226 18.001 4.516 0.618 1.00 50.51 O ATOM 1264 OE2 GLU B 226 18.176 3.869 -1.470 1.00 41.33 O ATOM 0 H GLU B 226 12.811 3.256 -0.203 1.00 72.13 H new ATOM 0 HA GLU B 226 14.484 1.072 -0.797 1.00 64.05 H new ATOM 0 HB2 GLU B 226 15.123 3.412 -1.173 1.00 22.23 H new ATOM 0 HB3 GLU B 226 15.042 3.749 0.545 1.00 22.23 H new ATOM 0 HG2 GLU B 226 16.924 2.217 0.969 1.00 33.24 H new ATOM 0 HG3 GLU B 226 16.974 1.772 -0.726 1.00 33.24 H new ATOM 1271 N ALA B 227 14.228 1.776 2.441 1.00 21.41 N ATOM 1272 CA ALA B 227 14.375 1.207 3.787 1.00 2.54 C ATOM 1273 C ALA B 227 13.659 -0.149 3.898 1.00 75.35 C ATOM 1274 O ALA B 227 14.155 -1.081 4.536 1.00 63.52 O ATOM 1275 CB ALA B 227 13.840 2.180 4.836 1.00 74.33 C ATOM 0 H ALA B 227 13.835 2.717 2.425 1.00 21.41 H new ATOM 0 HA ALA B 227 15.437 1.042 3.970 1.00 2.54 H new ATOM 0 HB1 ALA B 227 13.956 1.745 5.829 1.00 74.33 H new ATOM 0 HB2 ALA B 227 14.397 3.115 4.783 1.00 74.33 H new ATOM 0 HB3 ALA B 227 12.785 2.375 4.646 1.00 74.33 H new ATOM 1281 N LEU B 228 12.499 -0.252 3.255 1.00 35.53 N ATOM 1282 CA LEU B 228 11.734 -1.501 3.225 1.00 20.31 C ATOM 1283 C LEU B 228 12.532 -2.636 2.553 1.00 71.24 C ATOM 1284 O LEU B 228 12.860 -3.643 3.190 1.00 14.04 O ATOM 1285 CB LEU B 228 10.408 -1.283 2.485 1.00 1.02 C ATOM 1286 CG LEU B 228 9.495 -2.514 2.407 1.00 72.22 C ATOM 1287 CD1 LEU B 228 9.099 -2.978 3.805 1.00 72.45 C ATOM 1288 CD2 LEU B 228 8.262 -2.223 1.556 1.00 31.41 C ATOM 0 H LEU B 228 12.064 0.517 2.745 1.00 35.53 H new ATOM 0 HA LEU B 228 11.533 -1.797 4.254 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.864 -0.477 2.977 1.00 1.02 H new ATOM 0 HB3 LEU B 228 10.627 -0.947 1.471 1.00 1.02 H new ATOM 0 HG LEU B 228 10.049 -3.321 1.927 1.00 72.22 H new ATOM 0 HD11 LEU B 228 8.452 -3.852 3.729 1.00 72.45 H new ATOM 0 HD12 LEU B 228 9.995 -3.238 4.369 1.00 72.45 H new ATOM 0 HD13 LEU B 228 8.567 -2.176 4.317 1.00 72.45 H new ATOM 0 HD21 LEU B 228 7.630 -3.110 1.516 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.702 -1.398 1.997 1.00 31.41 H new ATOM 0 HD23 LEU B 228 8.572 -1.952 0.547 1.00 31.41 H new ATOM 1300 N LYS B 229 12.866 -2.456 1.270 1.00 71.42 N ATOM 1301 CA LYS B 229 13.603 -3.477 0.503 1.00 61.24 C ATOM 1302 C LYS B 229 15.009 -3.716 1.079 1.00 72.34 C ATOM 1303 O LYS B 229 15.695 -4.671 0.707 1.00 35.15 O ATOM 1304 CB LYS B 229 13.707 -3.068 -0.979 1.00 40.11 C ATOM 1305 CG LYS B 229 14.533 -1.807 -1.220 1.00 20.22 C ATOM 1306 CD LYS B 229 14.608 -1.446 -2.704 1.00 1.11 C ATOM 1307 CE LYS B 229 15.480 -0.215 -2.934 1.00 25.04 C ATOM 1308 NZ LYS B 229 15.559 0.165 -4.370 1.00 3.21 N ATOM 0 H LYS B 229 12.640 -1.616 0.738 1.00 71.42 H new ATOM 0 HA LYS B 229 13.043 -4.409 0.581 1.00 61.24 H new ATOM 0 HB2 LYS B 229 14.147 -3.891 -1.542 1.00 40.11 H new ATOM 0 HB3 LYS B 229 12.703 -2.913 -1.374 1.00 40.11 H new ATOM 0 HG2 LYS B 229 14.096 -0.976 -0.666 1.00 20.22 H new ATOM 0 HG3 LYS B 229 15.541 -1.954 -0.831 1.00 20.22 H new ATOM 0 HD2 LYS B 229 15.011 -2.289 -3.265 1.00 1.11 H new ATOM 0 HD3 LYS B 229 13.604 -1.259 -3.086 1.00 1.11 H new ATOM 0 HE2 LYS B 229 15.080 0.622 -2.361 1.00 25.04 H new ATOM 0 HE3 LYS B 229 16.484 -0.409 -2.557 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 16.162 1.006 -4.474 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 15.965 -0.622 -4.915 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 14.605 0.377 -4.726 1.00 3.21 H new ATOM 1322 N SER B 230 15.435 -2.834 1.980 1.00 22.24 N ATOM 1323 CA SER B 230 16.744 -2.951 2.633 1.00 14.23 C ATOM 1324 C SER B 230 16.734 -3.994 3.762 1.00 63.21 C ATOM 1325 O SER B 230 17.736 -4.673 3.997 1.00 13.12 O ATOM 1326 CB SER B 230 17.182 -1.593 3.198 1.00 43.22 C ATOM 1327 OG SER B 230 18.474 -1.670 3.786 1.00 31.32 O ATOM 0 H SER B 230 14.891 -2.024 2.278 1.00 22.24 H new ATOM 0 HA SER B 230 17.452 -3.281 1.873 1.00 14.23 H new ATOM 0 HB2 SER B 230 17.187 -0.850 2.401 1.00 43.22 H new ATOM 0 HB3 SER B 230 16.461 -1.257 3.943 1.00 43.22 H new ATOM 0 HG SER B 230 18.727 -0.790 4.136 1.00 31.32 H new ATOM 1333 N ARG B 231 15.601 -4.125 4.463 1.00 31.33 N ATOM 1334 CA ARG B 231 15.518 -5.030 5.623 1.00 71.32 C ATOM 1335 C ARG B 231 14.808 -6.360 5.298 1.00 21.25 C ATOM 1336 O ARG B 231 15.098 -7.387 5.913 1.00 21.13 O ATOM 1337 CB ARG B 231 14.798 -4.340 6.789 1.00 52.20 C ATOM 1338 CG ARG B 231 13.297 -4.162 6.584 1.00 52.31 C ATOM 1339 CD ARG B 231 12.645 -3.505 7.791 1.00 53.32 C ATOM 1340 NE ARG B 231 11.186 -3.513 7.704 1.00 12.34 N ATOM 1341 CZ ARG B 231 10.439 -2.443 7.775 1.00 3.24 C ATOM 1342 NH1 ARG B 231 10.977 -1.275 7.939 1.00 50.11 N ATOM 1343 NH2 ARG B 231 9.151 -2.551 7.692 1.00 25.51 N ATOM 0 H ARG B 231 14.738 -3.624 4.253 1.00 31.33 H new ATOM 0 HA ARG B 231 16.545 -5.267 5.903 1.00 71.32 H new ATOM 0 HB2 ARG B 231 14.962 -4.921 7.697 1.00 52.20 H new ATOM 0 HB3 ARG B 231 15.249 -3.361 6.951 1.00 52.20 H new ATOM 0 HG2 ARG B 231 13.119 -3.554 5.697 1.00 52.31 H new ATOM 0 HG3 ARG B 231 12.836 -5.133 6.403 1.00 52.31 H new ATOM 0 HD2 ARG B 231 12.956 -4.025 8.697 1.00 53.32 H new ATOM 0 HD3 ARG B 231 12.996 -2.477 7.877 1.00 53.32 H new ATOM 0 HE ARG B 231 10.721 -4.412 7.580 1.00 12.34 H new ATOM 0 HH11 ARG B 231 11.990 -1.186 8.014 1.00 50.11 H new ATOM 0 HH12 ARG B 231 10.387 -0.445 7.993 1.00 50.11 H new ATOM 0 HH21 ARG B 231 8.723 -3.469 7.572 1.00 25.51 H new ATOM 0 HH22 ARG B 231 8.565 -1.718 7.747 1.00 25.51 H new ATOM 1357 N VAL B 232 13.874 -6.339 4.344 1.00 23.35 N ATOM 1358 CA VAL B 232 13.089 -7.537 4.004 1.00 24.34 C ATOM 1359 C VAL B 232 13.971 -8.672 3.450 1.00 34.41 C ATOM 1360 O VAL B 232 14.976 -8.422 2.777 1.00 51.15 O ATOM 1361 CB VAL B 232 11.966 -7.216 2.982 1.00 24.32 C ATOM 1362 CG1 VAL B 232 10.981 -6.201 3.562 1.00 41.11 C ATOM 1363 CG2 VAL B 232 12.552 -6.721 1.661 1.00 21.55 C ATOM 0 H VAL B 232 13.641 -5.512 3.794 1.00 23.35 H new ATOM 0 HA VAL B 232 12.636 -7.873 4.937 1.00 24.34 H new ATOM 0 HB VAL B 232 11.420 -8.137 2.778 1.00 24.32 H new ATOM 0 HG11 VAL B 232 10.202 -5.990 2.829 1.00 41.11 H new ATOM 0 HG12 VAL B 232 10.528 -6.609 4.466 1.00 41.11 H new ATOM 0 HG13 VAL B 232 11.509 -5.279 3.805 1.00 41.11 H new ATOM 0 HG21 VAL B 232 11.743 -6.503 0.963 1.00 21.55 H new ATOM 0 HG22 VAL B 232 13.133 -5.816 1.837 1.00 21.55 H new ATOM 0 HG23 VAL B 232 13.199 -7.490 1.239 1.00 21.55 H new ATOM 1373 N PRO B 233 13.614 -9.942 3.734 1.00 23.43 N ATOM 1374 CA PRO B 233 14.358 -11.104 3.218 1.00 52.13 C ATOM 1375 C PRO B 233 14.217 -11.269 1.694 1.00 23.50 C ATOM 1376 O PRO B 233 13.192 -10.918 1.109 1.00 30.43 O ATOM 1377 CB PRO B 233 13.722 -12.290 3.960 1.00 1.42 C ATOM 1378 CG PRO B 233 12.350 -11.827 4.309 1.00 55.24 C ATOM 1379 CD PRO B 233 12.471 -10.350 4.577 1.00 42.44 C ATOM 0 HA PRO B 233 15.431 -11.008 3.385 1.00 52.13 H new ATOM 0 HB2 PRO B 233 13.691 -13.180 3.331 1.00 1.42 H new ATOM 0 HB3 PRO B 233 14.291 -12.550 4.853 1.00 1.42 H new ATOM 0 HG2 PRO B 233 11.653 -12.021 3.494 1.00 55.24 H new ATOM 0 HG3 PRO B 233 11.971 -12.354 5.185 1.00 55.24 H new ATOM 0 HD2 PRO B 233 11.560 -9.816 4.305 1.00 42.44 H new ATOM 0 HD3 PRO B 233 12.657 -10.147 5.632 1.00 42.44 H new ATOM 1387 N ALA B 234 15.251 -11.821 1.058 1.00 75.23 N ATOM 1388 CA ALA B 234 15.287 -11.982 -0.402 1.00 52.20 C ATOM 1389 C ALA B 234 14.168 -12.897 -0.935 1.00 43.31 C ATOM 1390 O ALA B 234 13.963 -12.997 -2.145 1.00 72.12 O ATOM 1391 CB ALA B 234 16.649 -12.515 -0.825 1.00 71.25 C ATOM 0 H ALA B 234 16.084 -12.168 1.534 1.00 75.23 H new ATOM 0 HA ALA B 234 15.117 -10.998 -0.838 1.00 52.20 H new ATOM 0 HB1 ALA B 234 16.673 -12.633 -1.908 1.00 71.25 H new ATOM 0 HB2 ALA B 234 17.425 -11.813 -0.519 1.00 71.25 H new ATOM 0 HB3 ALA B 234 16.825 -13.480 -0.350 1.00 71.25 H new ATOM 1397 N ASN B 235 13.464 -13.576 -0.033 1.00 54.11 N ATOM 1398 CA ASN B 235 12.331 -14.427 -0.419 1.00 50.53 C ATOM 1399 C ASN B 235 11.049 -13.599 -0.610 1.00 34.22 C ATOM 1400 O ASN B 235 10.189 -13.946 -1.421 1.00 14.32 O ATOM 1401 CB ASN B 235 12.096 -15.512 0.640 1.00 34.05 C ATOM 1402 CG ASN B 235 13.315 -16.387 0.857 1.00 55.34 C ATOM 1403 OD1 ASN B 235 14.130 -16.575 -0.040 1.00 5.20 O ATOM 1404 ND2 ASN B 235 13.446 -16.936 2.046 1.00 44.31 N ATOM 0 H ASN B 235 13.654 -13.557 0.969 1.00 54.11 H new ATOM 0 HA ASN B 235 12.578 -14.898 -1.370 1.00 50.53 H new ATOM 0 HB2 ASN B 235 11.819 -15.041 1.583 1.00 34.05 H new ATOM 0 HB3 ASN B 235 11.255 -16.135 0.336 1.00 34.05 H new ATOM 0 HD21 ASN B 235 14.244 -17.539 2.244 1.00 44.31 H new ATOM 0 HD22 ASN B 235 12.749 -16.758 2.769 1.00 44.31 H new ATOM 1411 N THR B 236 10.934 -12.499 0.136 1.00 23.20 N ATOM 1412 CA THR B 236 9.737 -11.648 0.094 1.00 72.14 C ATOM 1413 C THR B 236 9.784 -10.663 -1.086 1.00 51.42 C ATOM 1414 O THR B 236 10.513 -9.672 -1.052 1.00 2.34 O ATOM 1415 CB THR B 236 9.564 -10.846 1.411 1.00 31.52 C ATOM 1416 OG1 THR B 236 9.528 -11.731 2.544 1.00 30.03 O ATOM 1417 CG2 THR B 236 8.285 -10.014 1.384 1.00 1.11 C ATOM 0 H THR B 236 11.656 -12.173 0.779 1.00 23.20 H new ATOM 0 HA THR B 236 8.887 -12.318 -0.033 1.00 72.14 H new ATOM 0 HB THR B 236 10.420 -10.177 1.501 1.00 31.52 H new ATOM 0 HG1 THR B 236 9.420 -11.207 3.365 1.00 30.03 H new ATOM 0 HG21 THR B 236 8.190 -9.463 2.319 1.00 1.11 H new ATOM 0 HG22 THR B 236 8.325 -9.312 0.551 1.00 1.11 H new ATOM 0 HG23 THR B 236 7.425 -10.673 1.262 1.00 1.11 H new ATOM 1425 N SER B 237 8.991 -10.930 -2.123 1.00 62.04 N ATOM 1426 CA SER B 237 8.975 -10.088 -3.332 1.00 65.24 C ATOM 1427 C SER B 237 8.191 -8.778 -3.129 1.00 52.32 C ATOM 1428 O SER B 237 7.135 -8.578 -3.733 1.00 33.33 O ATOM 1429 CB SER B 237 8.385 -10.865 -4.517 1.00 61.43 C ATOM 1430 OG SER B 237 9.157 -12.014 -4.823 1.00 42.03 O ATOM 0 H SER B 237 8.349 -11.722 -2.156 1.00 62.04 H new ATOM 0 HA SER B 237 10.011 -9.822 -3.544 1.00 65.24 H new ATOM 0 HB2 SER B 237 7.363 -11.164 -4.284 1.00 61.43 H new ATOM 0 HB3 SER B 237 8.336 -10.215 -5.391 1.00 61.43 H new ATOM 0 HG SER B 237 8.754 -12.487 -5.581 1.00 42.03 H new ATOM 1436 N MET B 238 8.715 -7.903 -2.262 1.00 24.02 N ATOM 1437 CA MET B 238 8.150 -6.558 -2.010 1.00 42.44 C ATOM 1438 C MET B 238 6.620 -6.559 -1.766 1.00 43.24 C ATOM 1439 O MET B 238 6.171 -6.520 -0.618 1.00 21.12 O ATOM 1440 CB MET B 238 8.498 -5.605 -3.166 1.00 43.14 C ATOM 1441 CG MET B 238 9.992 -5.365 -3.343 1.00 55.33 C ATOM 1442 SD MET B 238 10.347 -4.220 -4.693 1.00 2.23 S ATOM 1443 CE MET B 238 12.139 -4.162 -4.636 1.00 51.00 C ATOM 0 H MET B 238 9.548 -8.103 -1.709 1.00 24.02 H new ATOM 0 HA MET B 238 8.609 -6.208 -1.086 1.00 42.44 H new ATOM 0 HB2 MET B 238 8.094 -6.012 -4.093 1.00 43.14 H new ATOM 0 HB3 MET B 238 8.004 -4.648 -2.996 1.00 43.14 H new ATOM 0 HG2 MET B 238 10.407 -4.970 -2.416 1.00 55.33 H new ATOM 0 HG3 MET B 238 10.490 -6.315 -3.535 1.00 55.33 H new ATOM 0 HE1 MET B 238 12.506 -3.493 -5.414 1.00 51.00 H new ATOM 0 HE2 MET B 238 12.460 -3.796 -3.661 1.00 51.00 H new ATOM 0 HE3 MET B 238 12.541 -5.162 -4.799 1.00 51.00 H new ATOM 1453 N SER B 239 5.831 -6.604 -2.843 1.00 14.12 N ATOM 1454 CA SER B 239 4.358 -6.536 -2.752 1.00 12.43 C ATOM 1455 C SER B 239 3.784 -7.588 -1.792 1.00 72.44 C ATOM 1456 O SER B 239 2.740 -7.369 -1.177 1.00 0.42 O ATOM 1457 CB SER B 239 3.718 -6.698 -4.140 1.00 23.25 C ATOM 1458 OG SER B 239 4.075 -5.628 -5.005 1.00 11.13 O ATOM 0 H SER B 239 6.184 -6.688 -3.796 1.00 14.12 H new ATOM 0 HA SER B 239 4.115 -5.551 -2.353 1.00 12.43 H new ATOM 0 HB2 SER B 239 4.034 -7.644 -4.580 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.633 -6.740 -4.039 1.00 23.25 H new ATOM 0 HG SER B 239 3.266 -5.158 -5.295 1.00 11.13 H new ATOM 1464 N ALA B 240 4.464 -8.730 -1.665 1.00 42.33 N ATOM 1465 CA ALA B 240 4.067 -9.768 -0.700 1.00 65.15 C ATOM 1466 C ALA B 240 4.055 -9.214 0.737 1.00 14.24 C ATOM 1467 O ALA B 240 3.175 -9.533 1.537 1.00 1.34 O ATOM 1468 CB ALA B 240 5.002 -10.972 -0.804 1.00 3.21 C ATOM 0 H ALA B 240 5.291 -8.963 -2.215 1.00 42.33 H new ATOM 0 HA ALA B 240 3.054 -10.089 -0.943 1.00 65.15 H new ATOM 0 HB1 ALA B 240 4.697 -11.732 -0.085 1.00 3.21 H new ATOM 0 HB2 ALA B 240 4.953 -11.385 -1.812 1.00 3.21 H new ATOM 0 HB3 ALA B 240 6.024 -10.659 -0.590 1.00 3.21 H new ATOM 1474 N TYR B 241 5.038 -8.369 1.044 1.00 33.21 N ATOM 1475 CA TYR B 241 5.122 -7.699 2.348 1.00 53.23 C ATOM 1476 C TYR B 241 4.018 -6.635 2.474 1.00 42.11 C ATOM 1477 O TYR B 241 3.371 -6.508 3.512 1.00 53.24 O ATOM 1478 CB TYR B 241 6.508 -7.049 2.503 1.00 53.44 C ATOM 1479 CG TYR B 241 6.798 -6.468 3.881 1.00 64.23 C ATOM 1480 CD1 TYR B 241 6.361 -5.193 4.232 1.00 34.20 C ATOM 1481 CD2 TYR B 241 7.534 -7.186 4.822 1.00 15.41 C ATOM 1482 CE1 TYR B 241 6.646 -4.654 5.473 1.00 62.22 C ATOM 1483 CE2 TYR B 241 7.817 -6.653 6.068 1.00 34.41 C ATOM 1484 CZ TYR B 241 7.372 -5.386 6.386 1.00 14.52 C ATOM 1485 OH TYR B 241 7.669 -4.843 7.618 1.00 3.43 O ATOM 0 H TYR B 241 5.795 -8.128 0.404 1.00 33.21 H new ATOM 0 HA TYR B 241 4.981 -8.436 3.138 1.00 53.23 H new ATOM 0 HB2 TYR B 241 7.270 -7.794 2.272 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.605 -6.255 1.763 1.00 53.44 H new ATOM 0 HD1 TYR B 241 5.789 -4.615 3.522 1.00 34.20 H new ATOM 0 HD2 TYR B 241 7.890 -8.175 4.575 1.00 15.41 H new ATOM 0 HE1 TYR B 241 6.300 -3.662 5.725 1.00 62.22 H new ATOM 0 HE2 TYR B 241 8.383 -7.226 6.787 1.00 34.41 H new ATOM 0 HH TYR B 241 6.986 -4.183 7.858 1.00 3.43 H new ATOM 1495 N ILE B 242 3.807 -5.883 1.395 1.00 13.54 N ATOM 1496 CA ILE B 242 2.784 -4.827 1.361 1.00 20.43 C ATOM 1497 C ILE B 242 1.364 -5.405 1.523 1.00 33.35 C ATOM 1498 O ILE B 242 0.478 -4.755 2.085 1.00 53.14 O ATOM 1499 CB ILE B 242 2.857 -4.016 0.038 1.00 32.44 C ATOM 1500 CG1 ILE B 242 4.278 -3.469 -0.191 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.844 -2.870 0.048 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.751 -2.509 0.883 1.00 53.02 C ATOM 0 H ILE B 242 4.332 -5.983 0.526 1.00 13.54 H new ATOM 0 HA ILE B 242 2.991 -4.164 2.201 1.00 20.43 H new ATOM 0 HB ILE B 242 2.610 -4.690 -0.783 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.974 -4.306 -0.247 1.00 0.13 H new ATOM 0 HG13 ILE B 242 4.310 -2.963 -1.156 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.913 -2.316 -0.888 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.838 -3.275 0.157 1.00 4.05 H new ATOM 0 HG23 ILE B 242 2.059 -2.202 0.882 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.760 -2.169 0.649 1.00 53.02 H new ATOM 0 HD12 ILE B 242 4.080 -1.651 0.925 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.754 -3.016 1.848 1.00 53.02 H new ATOM 1514 N ARG B 243 1.159 -6.630 1.034 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.145 -7.301 1.119 1.00 32.22 C ATOM 1516 C ARG B 243 -0.676 -7.331 2.563 1.00 23.40 C ATOM 1517 O ARG B 243 -1.806 -6.920 2.831 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.040 -8.738 0.578 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.394 -9.425 0.390 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.249 -10.886 -0.036 1.00 73.12 C ATOM 1521 NE ARG B 243 -0.777 -11.740 1.057 1.00 30.31 N ATOM 1522 CZ ARG B 243 -0.858 -13.046 1.056 1.00 63.52 C ATOM 1523 NH1 ARG B 243 -1.292 -13.681 0.014 1.00 12.30 N ATOM 1524 NH2 ARG B 243 -0.472 -13.715 2.092 1.00 61.30 N ATOM 0 H ARG B 243 1.882 -7.182 0.572 1.00 74.40 H new ATOM 0 HA ARG B 243 -0.847 -6.730 0.511 1.00 32.22 H new ATOM 0 HB2 ARG B 243 0.484 -8.720 -0.378 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.566 -9.331 1.263 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -1.957 -9.375 1.322 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -1.972 -8.886 -0.361 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -2.210 -11.255 -0.393 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -0.552 -10.951 -0.872 1.00 73.12 H new ATOM 0 HE ARG B 243 -0.359 -11.288 1.870 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -1.575 -13.163 -0.818 1.00 12.30 H new ATOM 0 HH12 ARG B 243 -1.351 -14.699 0.025 1.00 12.30 H new ATOM 0 HH21 ARG B 243 -0.105 -13.225 2.908 1.00 61.30 H new ATOM 0 HH22 ARG B 243 -0.534 -14.733 2.094 1.00 61.30 H new ATOM 1538 N ARG B 244 0.155 -7.813 3.491 1.00 41.44 N ATOM 1539 CA ARG B 244 -0.247 -7.927 4.899 1.00 45.34 C ATOM 1540 C ARG B 244 -0.417 -6.553 5.568 1.00 15.00 C ATOM 1541 O ARG B 244 -1.191 -6.413 6.511 1.00 31.30 O ATOM 1542 CB ARG B 244 0.764 -8.771 5.692 1.00 60.34 C ATOM 1543 CG ARG B 244 2.196 -8.249 5.635 1.00 22.41 C ATOM 1544 CD ARG B 244 3.121 -8.998 6.591 1.00 73.40 C ATOM 1545 NE ARG B 244 2.833 -8.689 7.995 1.00 72.41 N ATOM 1546 CZ ARG B 244 2.301 -9.526 8.846 1.00 4.12 C ATOM 1547 NH1 ARG B 244 1.994 -10.728 8.479 1.00 73.21 N ATOM 1548 NH2 ARG B 244 2.091 -9.163 10.070 1.00 5.11 N ATOM 0 H ARG B 244 1.105 -8.129 3.296 1.00 41.44 H new ATOM 0 HA ARG B 244 -1.216 -8.426 4.908 1.00 45.34 H new ATOM 0 HB2 ARG B 244 0.446 -8.814 6.734 1.00 60.34 H new ATOM 0 HB3 ARG B 244 0.746 -9.792 5.311 1.00 60.34 H new ATOM 0 HG2 ARG B 244 2.575 -8.343 4.617 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.204 -7.187 5.881 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.018 -10.071 6.428 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.156 -8.740 6.369 1.00 73.40 H new ATOM 0 HE ARG B 244 3.064 -7.754 8.331 1.00 72.41 H new ATOM 0 HH11 ARG B 244 2.167 -11.028 7.520 1.00 73.21 H new ATOM 0 HH12 ARG B 244 1.579 -11.376 9.149 1.00 73.21 H new ATOM 0 HH21 ARG B 244 2.341 -8.222 10.373 1.00 5.11 H new ATOM 0 HH22 ARG B 244 1.676 -9.818 10.732 1.00 5.11 H new ATOM 1562 N ILE B 245 0.303 -5.540 5.080 1.00 0.14 N ATOM 1563 CA ILE B 245 0.208 -4.186 5.646 1.00 25.11 C ATOM 1564 C ILE B 245 -1.230 -3.648 5.586 1.00 43.32 C ATOM 1565 O ILE B 245 -1.764 -3.151 6.581 1.00 0.43 O ATOM 1566 CB ILE B 245 1.159 -3.198 4.923 1.00 74.05 C ATOM 1567 CG1 ILE B 245 2.623 -3.630 5.114 1.00 22.04 C ATOM 1568 CG2 ILE B 245 0.945 -1.766 5.422 1.00 40.04 C ATOM 1569 CD1 ILE B 245 3.630 -2.713 4.448 1.00 62.44 C ATOM 0 H ILE B 245 0.955 -5.627 4.300 1.00 0.14 H new ATOM 0 HA ILE B 245 0.510 -4.264 6.690 1.00 25.11 H new ATOM 0 HB ILE B 245 0.928 -3.218 3.858 1.00 74.05 H new ATOM 0 HG12 ILE B 245 2.841 -3.677 6.181 1.00 22.04 H new ATOM 0 HG13 ILE B 245 2.748 -4.638 4.718 1.00 22.04 H new ATOM 0 HG21 ILE B 245 1.624 -1.093 4.899 1.00 40.04 H new ATOM 0 HG22 ILE B 245 -0.084 -1.464 5.230 1.00 40.04 H new ATOM 0 HG23 ILE B 245 1.143 -1.721 6.493 1.00 40.04 H new ATOM 0 HD11 ILE B 245 4.638 -3.086 4.629 1.00 62.44 H new ATOM 0 HD12 ILE B 245 3.442 -2.684 3.375 1.00 62.44 H new ATOM 0 HD13 ILE B 245 3.536 -1.708 4.860 1.00 62.44 H new ATOM 1581 N ILE B 246 -1.858 -3.746 4.418 1.00 22.22 N ATOM 1582 CA ILE B 246 -3.252 -3.321 4.275 1.00 42.51 C ATOM 1583 C ILE B 246 -4.217 -4.394 4.804 1.00 41.42 C ATOM 1584 O ILE B 246 -5.206 -4.076 5.463 1.00 53.40 O ATOM 1585 CB ILE B 246 -3.616 -2.977 2.806 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -3.445 -4.202 1.893 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -2.763 -1.812 2.306 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.933 -3.985 0.477 1.00 35.23 C ATOM 0 H ILE B 246 -1.433 -4.111 3.565 1.00 22.22 H new ATOM 0 HA ILE B 246 -3.358 -2.415 4.871 1.00 42.51 H new ATOM 0 HB ILE B 246 -4.664 -2.680 2.777 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -2.391 -4.478 1.865 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.983 -5.044 2.327 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -3.030 -1.582 1.274 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -2.941 -0.936 2.930 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -1.709 -2.085 2.356 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -3.778 -4.894 -0.104 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.995 -3.740 0.492 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -3.378 -3.165 0.022 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.910 -5.665 4.531 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.749 -6.790 4.971 1.00 44.40 C ATOM 1602 C LEU B 247 -4.992 -6.758 6.488 1.00 61.12 C ATOM 1603 O LEU B 247 -6.136 -6.697 6.945 1.00 10.11 O ATOM 1604 CB LEU B 247 -4.092 -8.122 4.567 1.00 44.24 C ATOM 1605 CG LEU B 247 -4.844 -9.392 4.996 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -6.261 -9.400 4.434 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -4.082 -10.639 4.557 1.00 10.44 C ATOM 0 H LEU B 247 -3.082 -5.945 4.004 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.718 -6.698 4.480 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.980 -8.137 3.483 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -3.089 -8.155 4.992 1.00 44.24 H new ATOM 0 HG LEU B 247 -4.913 -9.396 6.084 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -6.773 -10.308 4.751 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.804 -8.530 4.803 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -6.221 -9.367 3.345 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -4.629 -11.529 4.869 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -3.978 -10.639 3.472 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -3.093 -10.642 5.016 1.00 10.44 H new ATOM 1619 N ASN B 248 -3.909 -6.779 7.265 1.00 75.21 N ATOM 1620 CA ASN B 248 -4.006 -6.723 8.727 1.00 2.53 C ATOM 1621 C ASN B 248 -4.758 -5.467 9.199 1.00 62.04 C ATOM 1622 O ASN B 248 -5.408 -5.483 10.244 1.00 4.44 O ATOM 1623 CB ASN B 248 -2.611 -6.762 9.363 1.00 45.02 C ATOM 1624 CG ASN B 248 -1.911 -8.100 9.178 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -2.108 -8.792 8.183 1.00 31.13 O ATOM 1626 ND2 ASN B 248 -1.097 -8.478 10.143 1.00 23.00 N ATOM 0 H ASN B 248 -2.955 -6.834 6.909 1.00 75.21 H new ATOM 0 HA ASN B 248 -4.572 -7.598 9.047 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -1.997 -5.974 8.928 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -2.697 -6.547 10.428 1.00 45.02 H new ATOM 0 HD21 ASN B 248 -0.607 -9.370 10.077 1.00 23.00 H new ATOM 0 HD22 ASN B 248 -0.956 -7.878 10.956 1.00 23.00 H new ATOM 1633 N HIS B 249 -4.675 -4.388 8.419 1.00 61.40 N ATOM 1634 CA HIS B 249 -5.333 -3.126 8.769 1.00 62.23 C ATOM 1635 C HIS B 249 -6.849 -3.174 8.493 1.00 25.42 C ATOM 1636 O HIS B 249 -7.639 -2.659 9.280 1.00 54.04 O ATOM 1637 CB HIS B 249 -4.694 -1.960 8.005 1.00 12.14 C ATOM 1638 CG HIS B 249 -5.221 -0.616 8.413 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -4.777 0.055 9.528 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -6.175 0.174 7.862 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -5.423 1.195 9.644 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -6.278 1.296 8.648 1.00 44.40 N ATOM 0 H HIS B 249 -4.158 -4.362 7.540 1.00 61.40 H new ATOM 0 HA HIS B 249 -5.195 -2.972 9.839 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -3.616 -1.981 8.162 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -4.864 -2.099 6.937 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -6.747 -0.039 6.971 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -5.276 1.926 10.426 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -6.912 2.078 8.487 1.00 44.40 H new ATOM 1651 N LEU B 250 -7.250 -3.793 7.380 1.00 24.22 N ATOM 1652 CA LEU B 250 -8.677 -3.900 7.028 1.00 41.50 C ATOM 1653 C LEU B 250 -9.447 -4.775 8.030 1.00 12.31 C ATOM 1654 O LEU B 250 -10.662 -4.639 8.182 1.00 74.44 O ATOM 1655 CB LEU B 250 -8.851 -4.444 5.594 1.00 14.45 C ATOM 1656 CG LEU B 250 -8.908 -3.382 4.480 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -10.127 -2.481 4.655 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -7.627 -2.553 4.438 1.00 64.35 C ATOM 0 H LEU B 250 -6.616 -4.226 6.709 1.00 24.22 H new ATOM 0 HA LEU B 250 -9.097 -2.895 7.073 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -8.027 -5.124 5.380 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -9.768 -5.033 5.557 1.00 14.45 H new ATOM 0 HG LEU B 250 -8.999 -3.904 3.527 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -10.148 -1.738 3.858 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -11.034 -3.084 4.613 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -10.071 -1.976 5.620 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -7.699 -1.813 3.641 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -7.490 -2.046 5.393 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -6.776 -3.208 4.249 1.00 64.35 H new ATOM 1670 N GLU B 251 -8.739 -5.680 8.699 1.00 34.42 N ATOM 1671 CA GLU B 251 -9.329 -6.487 9.775 1.00 23.54 C ATOM 1672 C GLU B 251 -8.970 -5.919 11.161 1.00 21.14 C ATOM 1673 O GLU B 251 -9.126 -6.594 12.181 1.00 11.23 O ATOM 1674 CB GLU B 251 -8.855 -7.943 9.670 1.00 75.50 C ATOM 1675 CG GLU B 251 -7.337 -8.100 9.679 1.00 54.31 C ATOM 1676 CD GLU B 251 -6.889 -9.518 9.985 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -6.886 -10.369 9.068 1.00 25.24 O ATOM 1678 OE2 GLU B 251 -6.541 -9.789 11.153 1.00 35.31 O ATOM 0 H GLU B 251 -7.755 -5.877 8.519 1.00 34.42 H new ATOM 0 HA GLU B 251 -10.413 -6.452 9.662 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -9.274 -8.512 10.499 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -9.250 -8.378 8.752 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -6.941 -7.801 8.709 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -6.912 -7.423 10.420 1.00 54.31 H new ATOM 1685 N ASP B 252 -8.495 -4.674 11.192 1.00 64.24 N ATOM 1686 CA ASP B 252 -8.113 -4.020 12.449 1.00 14.32 C ATOM 1687 C ASP B 252 -8.822 -2.663 12.606 1.00 44.10 C ATOM 1688 O ASP B 252 -9.675 -2.503 13.481 1.00 71.43 O ATOM 1689 CB ASP B 252 -6.588 -3.844 12.511 1.00 60.51 C ATOM 1690 CG ASP B 252 -6.113 -3.333 13.857 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -6.243 -4.074 14.853 1.00 32.00 O ATOM 1692 OD2 ASP B 252 -5.623 -2.187 13.934 1.00 42.22 O ATOM 0 H ASP B 252 -8.365 -4.096 10.362 1.00 64.24 H new ATOM 0 HA ASP B 252 -8.427 -4.657 13.276 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -6.107 -4.799 12.299 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -6.274 -3.149 11.732 1.00 60.51 H new ATOM 1697 N GLU B 253 -8.464 -1.695 11.761 1.00 31.33 N ATOM 1698 CA GLU B 253 -9.108 -0.367 11.766 1.00 0.12 C ATOM 1699 C GLU B 253 -9.587 0.035 10.357 1.00 1.22 C ATOM 1700 O GLU B 253 -8.838 0.725 9.626 1.00 38.70 O ATOM 1701 CB GLU B 253 -8.150 0.701 12.331 1.00 34.14 C ATOM 1702 CG GLU B 253 -7.860 0.559 13.824 1.00 62.54 C ATOM 1703 CD GLU B 253 -9.122 0.589 14.680 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -9.880 1.582 14.606 1.00 62.01 O ATOM 1705 OE2 GLU B 253 -9.358 -0.372 15.441 1.00 33.21 O ATOM 1706 OXT GLU B 253 -10.716 -0.349 9.983 1.00 38.70 O ATOM 0 H GLU B 253 -7.730 -1.800 11.060 1.00 31.33 H new ATOM 0 HA GLU B 253 -9.984 -0.430 12.412 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -7.208 0.654 11.784 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -8.576 1.688 12.148 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -7.331 -0.378 13.999 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -7.195 1.364 14.138 1.00 62.54 H new TER 1713 GLU B 253