USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 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 122:sc= 1.05 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0.648 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 124:sc= 0.054 (180deg=-0.486!) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= -0.0559 (180deg=-0.304) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.08! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -143:sc= 0.04 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc=-0.00815 (180deg=-0.141) USER MOD Single : A 30 SER OG : rot -20:sc= 0.264 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 38 MET CE :methyl -148:sc= 0 (180deg=-0.935) USER MOD Single : A 41 TYR OH : rot 56:sc= 0.458 USER MOD Single : A 48 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0735 K(o=-0.073,f=-0.6) USER MOD Single : B 201 MET CE :methyl 170:sc=-0.00483 (180deg=-0.156) USER MOD Single : B 211 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 213 THR OG1 : rot 6:sc= 0.258 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 X(o=0,f=-0.48) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -159:sc= -0.127 (180deg=-0.681) USER MOD Single : B 239 SER OG : rot -77:sc= 0.468 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 249 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.995 5.794 0.928 1.00 33.55 N ATOM 2 CA MET A 1 19.951 7.172 1.492 1.00 2.53 C ATOM 3 C MET A 1 19.785 7.145 3.019 1.00 65.42 C ATOM 4 O MET A 1 19.510 6.100 3.605 1.00 42.44 O ATOM 5 CB MET A 1 18.797 7.966 0.859 1.00 51.11 C ATOM 6 CG MET A 1 18.944 8.174 -0.642 1.00 15.23 C ATOM 7 SD MET A 1 17.545 9.065 -1.354 1.00 71.14 S ATOM 8 CE MET A 1 18.086 9.259 -3.052 1.00 43.12 C ATOM 0 H1 MET A 1 19.255 5.691 0.205 1.00 33.55 H new ATOM 0 H2 MET A 1 20.926 5.625 0.497 1.00 33.55 H new ATOM 0 H3 MET A 1 19.835 5.102 1.688 1.00 33.55 H new ATOM 0 HA MET A 1 20.898 7.659 1.259 1.00 2.53 H new ATOM 0 HB2 MET A 1 17.860 7.444 1.054 1.00 51.11 H new ATOM 0 HB3 MET A 1 18.728 8.939 1.346 1.00 51.11 H new ATOM 0 HG2 MET A 1 19.862 8.726 -0.841 1.00 15.23 H new ATOM 0 HG3 MET A 1 19.042 7.205 -1.132 1.00 15.23 H new ATOM 0 HE1 MET A 1 17.323 9.793 -3.618 1.00 43.12 H new ATOM 0 HE2 MET A 1 19.018 9.825 -3.075 1.00 43.12 H new ATOM 0 HE3 MET A 1 18.247 8.277 -3.497 1.00 43.12 H new ATOM 20 N VAL A 2 19.965 8.300 3.659 1.00 0.32 N ATOM 21 CA VAL A 2 19.804 8.416 5.117 1.00 3.54 C ATOM 22 C VAL A 2 18.405 8.925 5.503 1.00 71.35 C ATOM 23 O VAL A 2 18.066 8.996 6.682 1.00 41.34 O ATOM 24 CB VAL A 2 20.870 9.359 5.724 1.00 5.42 C ATOM 25 CG1 VAL A 2 22.275 8.833 5.441 1.00 51.14 C ATOM 26 CG2 VAL A 2 20.701 10.785 5.197 1.00 74.44 C ATOM 0 H VAL A 2 20.222 9.171 3.195 1.00 0.32 H new ATOM 0 HA VAL A 2 19.934 7.412 5.522 1.00 3.54 H new ATOM 0 HB VAL A 2 20.728 9.384 6.804 1.00 5.42 H new ATOM 0 HG11 VAL A 2 23.011 9.509 5.876 1.00 51.14 H new ATOM 0 HG12 VAL A 2 22.388 7.842 5.881 1.00 51.14 H new ATOM 0 HG13 VAL A 2 22.430 8.771 4.364 1.00 51.14 H new ATOM 0 HG21 VAL A 2 21.462 11.429 5.638 1.00 74.44 H new ATOM 0 HG22 VAL A 2 20.809 10.787 4.112 1.00 74.44 H new ATOM 0 HG23 VAL A 2 19.712 11.157 5.464 1.00 74.44 H new ATOM 36 N GLY A 3 17.602 9.281 4.500 1.00 73.52 N ATOM 37 CA GLY A 3 16.255 9.792 4.751 1.00 72.13 C ATOM 38 C GLY A 3 15.956 11.073 3.979 1.00 73.23 C ATOM 39 O GLY A 3 15.743 12.132 4.570 1.00 22.03 O ATOM 0 H GLY A 3 17.858 9.226 3.514 1.00 73.52 H new ATOM 0 HA2 GLY A 3 15.525 9.030 4.478 1.00 72.13 H new ATOM 0 HA3 GLY A 3 16.135 9.980 5.818 1.00 72.13 H new ATOM 43 N ARG A 4 15.935 10.974 2.649 1.00 11.44 N ATOM 44 CA ARG A 4 15.699 12.134 1.779 1.00 33.14 C ATOM 45 C ARG A 4 14.662 11.819 0.690 1.00 42.42 C ATOM 46 O ARG A 4 14.773 10.817 -0.018 1.00 14.24 O ATOM 47 CB ARG A 4 17.020 12.589 1.128 1.00 52.30 C ATOM 48 CG ARG A 4 17.922 13.418 2.042 1.00 44.22 C ATOM 49 CD ARG A 4 17.291 14.764 2.381 1.00 72.32 C ATOM 50 NE ARG A 4 18.185 15.628 3.146 1.00 33.21 N ATOM 51 CZ ARG A 4 17.999 16.910 3.314 1.00 55.44 C ATOM 52 NH1 ARG A 4 17.003 17.517 2.747 1.00 44.44 N ATOM 53 NH2 ARG A 4 18.828 17.589 4.032 1.00 64.22 N ATOM 0 H ARG A 4 16.079 10.099 2.146 1.00 11.44 H new ATOM 0 HA ARG A 4 15.305 12.939 2.399 1.00 33.14 H new ATOM 0 HB2 ARG A 4 17.570 11.708 0.797 1.00 52.30 H new ATOM 0 HB3 ARG A 4 16.789 13.174 0.238 1.00 52.30 H new ATOM 0 HG2 ARG A 4 18.117 12.865 2.961 1.00 44.22 H new ATOM 0 HG3 ARG A 4 18.884 13.579 1.556 1.00 44.22 H new ATOM 0 HD2 ARG A 4 17.005 15.269 1.459 1.00 72.32 H new ATOM 0 HD3 ARG A 4 16.376 14.599 2.951 1.00 72.32 H new ATOM 0 HE ARG A 4 19.007 15.204 3.576 1.00 33.21 H new ATOM 0 HH11 ARG A 4 16.353 16.993 2.161 1.00 44.44 H new ATOM 0 HH12 ARG A 4 16.870 18.519 2.887 1.00 44.44 H new ATOM 0 HH21 ARG A 4 19.626 17.125 4.466 1.00 64.22 H new ATOM 0 HH22 ARG A 4 18.686 18.590 4.165 1.00 64.22 H new ATOM 67 N ARG A 5 13.659 12.682 0.563 1.00 51.42 N ATOM 68 CA ARG A 5 12.650 12.551 -0.493 1.00 31.11 C ATOM 69 C ARG A 5 12.732 13.733 -1.476 1.00 3.32 C ATOM 70 O ARG A 5 12.969 14.871 -1.066 1.00 52.53 O ATOM 71 CB ARG A 5 11.243 12.452 0.116 1.00 70.41 C ATOM 72 CG ARG A 5 10.805 13.681 0.909 1.00 63.23 C ATOM 73 CD ARG A 5 9.449 13.466 1.579 1.00 64.43 C ATOM 74 NE ARG A 5 8.951 14.682 2.218 1.00 51.31 N ATOM 75 CZ ARG A 5 7.819 14.761 2.867 1.00 33.13 C ATOM 76 NH1 ARG A 5 7.077 13.710 3.038 1.00 11.02 N ATOM 77 NH2 ARG A 5 7.441 15.891 3.360 1.00 21.52 N ATOM 0 H ARG A 5 13.519 13.483 1.178 1.00 51.42 H new ATOM 0 HA ARG A 5 12.852 11.634 -1.046 1.00 31.11 H new ATOM 0 HB2 ARG A 5 10.526 12.279 -0.686 1.00 70.41 H new ATOM 0 HB3 ARG A 5 11.205 11.581 0.771 1.00 70.41 H new ATOM 0 HG2 ARG A 5 11.553 13.911 1.667 1.00 63.23 H new ATOM 0 HG3 ARG A 5 10.750 14.543 0.244 1.00 63.23 H new ATOM 0 HD2 ARG A 5 8.728 13.127 0.835 1.00 64.43 H new ATOM 0 HD3 ARG A 5 9.535 12.675 2.324 1.00 64.43 H new ATOM 0 HE ARG A 5 9.524 15.524 2.154 1.00 51.31 H new ATOM 0 HH11 ARG A 5 7.375 12.809 2.664 1.00 11.02 H new ATOM 0 HH12 ARG A 5 6.196 13.785 3.546 1.00 11.02 H new ATOM 0 HH21 ARG A 5 8.025 16.719 3.243 1.00 21.52 H new ATOM 0 HH22 ARG A 5 6.558 15.957 3.867 1.00 21.52 H new ATOM 91 N PRO A 6 12.541 13.481 -2.786 1.00 51.51 N ATOM 92 CA PRO A 6 12.667 14.522 -3.824 1.00 2.41 C ATOM 93 C PRO A 6 11.483 15.508 -3.862 1.00 42.33 C ATOM 94 O PRO A 6 10.562 15.434 -3.044 1.00 43.45 O ATOM 95 CB PRO A 6 12.731 13.702 -5.119 1.00 72.32 C ATOM 96 CG PRO A 6 11.939 12.474 -4.821 1.00 63.33 C ATOM 97 CD PRO A 6 12.180 12.167 -3.363 1.00 24.24 C ATOM 0 HA PRO A 6 13.532 15.162 -3.648 1.00 2.41 H new ATOM 0 HB2 PRO A 6 12.308 14.253 -5.959 1.00 72.32 H new ATOM 0 HB3 PRO A 6 13.760 13.457 -5.383 1.00 72.32 H new ATOM 0 HG2 PRO A 6 10.879 12.637 -5.015 1.00 63.33 H new ATOM 0 HG3 PRO A 6 12.255 11.643 -5.452 1.00 63.33 H new ATOM 0 HD2 PRO A 6 11.291 11.751 -2.889 1.00 24.24 H new ATOM 0 HD3 PRO A 6 12.981 11.439 -3.234 1.00 24.24 H new ATOM 105 N GLY A 7 11.522 16.435 -4.819 1.00 54.34 N ATOM 106 CA GLY A 7 10.458 17.426 -4.952 1.00 3.41 C ATOM 107 C GLY A 7 9.194 16.882 -5.620 1.00 24.40 C ATOM 108 O GLY A 7 9.192 15.778 -6.175 1.00 75.30 O ATOM 0 H GLY A 7 12.271 16.519 -5.506 1.00 54.34 H new ATOM 0 HA2 GLY A 7 10.201 17.806 -3.963 1.00 3.41 H new ATOM 0 HA3 GLY A 7 10.830 18.271 -5.532 1.00 3.41 H new ATOM 112 N GLY A 8 8.120 17.668 -5.579 1.00 51.54 N ATOM 113 CA GLY A 8 6.845 17.238 -6.145 1.00 74.44 C ATOM 114 C GLY A 8 6.617 17.728 -7.573 1.00 34.12 C ATOM 115 O GLY A 8 7.378 18.555 -8.088 1.00 1.12 O ATOM 0 H GLY A 8 8.107 18.599 -5.163 1.00 51.54 H new ATOM 0 HA2 GLY A 8 6.799 16.149 -6.131 1.00 74.44 H new ATOM 0 HA3 GLY A 8 6.035 17.599 -5.512 1.00 74.44 H new ATOM 119 N GLY A 9 5.570 17.215 -8.214 1.00 73.31 N ATOM 120 CA GLY A 9 5.226 17.638 -9.570 1.00 24.03 C ATOM 121 C GLY A 9 4.395 16.600 -10.319 1.00 61.41 C ATOM 122 O GLY A 9 3.218 16.395 -10.012 1.00 41.41 O ATOM 0 H GLY A 9 4.948 16.510 -7.820 1.00 73.31 H new ATOM 0 HA2 GLY A 9 4.672 18.576 -9.524 1.00 24.03 H new ATOM 0 HA3 GLY A 9 6.142 17.835 -10.128 1.00 24.03 H new ATOM 126 N LEU A 10 5.001 15.956 -11.315 1.00 72.04 N ATOM 127 CA LEU A 10 4.352 14.861 -12.055 1.00 12.14 C ATOM 128 C LEU A 10 5.140 13.550 -11.908 1.00 11.13 C ATOM 129 O LEU A 10 4.953 12.610 -12.682 1.00 64.13 O ATOM 130 CB LEU A 10 4.226 15.235 -13.543 1.00 15.43 C ATOM 131 CG LEU A 10 3.381 16.486 -13.839 1.00 24.23 C ATOM 132 CD1 LEU A 10 3.360 16.787 -15.336 1.00 61.15 C ATOM 133 CD2 LEU A 10 1.960 16.312 -13.306 1.00 54.51 C ATOM 0 H LEU A 10 5.946 16.171 -11.634 1.00 72.04 H new ATOM 0 HA LEU A 10 3.358 14.709 -11.635 1.00 12.14 H new ATOM 0 HB2 LEU A 10 5.226 15.389 -13.948 1.00 15.43 H new ATOM 0 HB3 LEU A 10 3.793 14.390 -14.077 1.00 15.43 H new ATOM 0 HG LEU A 10 3.839 17.334 -13.329 1.00 24.23 H new ATOM 0 HD11 LEU A 10 2.756 17.676 -15.520 1.00 61.15 H new ATOM 0 HD12 LEU A 10 4.377 16.960 -15.687 1.00 61.15 H new ATOM 0 HD13 LEU A 10 2.931 15.940 -15.871 1.00 61.15 H new ATOM 0 HD21 LEU A 10 1.377 17.207 -13.525 1.00 54.51 H new ATOM 0 HD22 LEU A 10 1.495 15.450 -13.785 1.00 54.51 H new ATOM 0 HD23 LEU A 10 1.993 16.155 -12.228 1.00 54.51 H new ATOM 145 N LYS A 11 6.008 13.484 -10.898 1.00 15.44 N ATOM 146 CA LYS A 11 6.889 12.321 -10.704 1.00 12.03 C ATOM 147 C LYS A 11 7.366 12.200 -9.242 1.00 31.42 C ATOM 148 O LYS A 11 8.393 11.577 -8.963 1.00 54.22 O ATOM 149 CB LYS A 11 8.100 12.447 -11.639 1.00 22.33 C ATOM 150 CG LYS A 11 8.917 13.713 -11.395 1.00 21.04 C ATOM 151 CD LYS A 11 10.092 13.836 -12.359 1.00 61.15 C ATOM 152 CE LYS A 11 10.929 15.072 -12.060 1.00 45.31 C ATOM 153 NZ LYS A 11 11.511 15.032 -10.691 1.00 55.13 N ATOM 0 H LYS A 11 6.123 14.219 -10.200 1.00 15.44 H new ATOM 0 HA LYS A 11 6.322 11.420 -10.939 1.00 12.03 H new ATOM 0 HB2 LYS A 11 8.743 11.576 -11.510 1.00 22.33 H new ATOM 0 HB3 LYS A 11 7.755 12.438 -12.673 1.00 22.33 H new ATOM 0 HG2 LYS A 11 8.272 14.585 -11.499 1.00 21.04 H new ATOM 0 HG3 LYS A 11 9.289 13.711 -10.370 1.00 21.04 H new ATOM 0 HD2 LYS A 11 10.717 12.946 -12.289 1.00 61.15 H new ATOM 0 HD3 LYS A 11 9.721 13.885 -13.383 1.00 61.15 H new ATOM 0 HE2 LYS A 11 11.732 15.153 -12.793 1.00 45.31 H new ATOM 0 HE3 LYS A 11 10.310 15.963 -12.165 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 12.265 15.745 -10.613 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 10.768 15.236 -9.992 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 11.907 14.088 -10.510 1.00 55.13 H new ATOM 167 N ASP A 12 6.609 12.786 -8.320 1.00 35.10 N ATOM 168 CA ASP A 12 6.966 12.784 -6.892 1.00 24.41 C ATOM 169 C ASP A 12 6.929 11.372 -6.271 1.00 35.12 C ATOM 170 O ASP A 12 7.965 10.817 -5.901 1.00 24.20 O ATOM 171 CB ASP A 12 6.039 13.738 -6.124 1.00 40.24 C ATOM 172 CG ASP A 12 4.617 13.738 -6.667 1.00 62.02 C ATOM 173 OD1 ASP A 12 3.829 12.840 -6.309 1.00 4.30 O ATOM 174 OD2 ASP A 12 4.293 14.628 -7.482 1.00 13.12 O ATOM 0 H ASP A 12 5.738 13.273 -8.531 1.00 35.10 H new ATOM 0 HA ASP A 12 7.996 13.131 -6.812 1.00 24.41 H new ATOM 0 HB2 ASP A 12 6.022 13.453 -5.072 1.00 40.24 H new ATOM 0 HB3 ASP A 12 6.443 14.749 -6.174 1.00 40.24 H new ATOM 179 N THR A 13 5.733 10.807 -6.150 1.00 51.42 N ATOM 180 CA THR A 13 5.550 9.482 -5.547 1.00 53.24 C ATOM 181 C THR A 13 5.627 8.363 -6.596 1.00 64.23 C ATOM 182 O THR A 13 5.136 8.505 -7.717 1.00 52.12 O ATOM 183 CB THR A 13 4.196 9.391 -4.806 1.00 43.25 C ATOM 184 OG1 THR A 13 3.126 9.762 -5.692 1.00 41.31 O ATOM 185 CG2 THR A 13 4.182 10.295 -3.576 1.00 62.24 C ATOM 0 H THR A 13 4.867 11.246 -6.463 1.00 51.42 H new ATOM 0 HA THR A 13 6.363 9.348 -4.834 1.00 53.24 H new ATOM 0 HB THR A 13 4.057 8.361 -4.478 1.00 43.25 H new ATOM 0 HG1 THR A 13 2.271 9.701 -5.216 1.00 41.31 H new ATOM 0 HG21 THR A 13 3.218 10.211 -3.074 1.00 62.24 H new ATOM 0 HG22 THR A 13 4.975 9.991 -2.892 1.00 62.24 H new ATOM 0 HG23 THR A 13 4.343 11.329 -3.882 1.00 62.24 H new ATOM 193 N LYS A 14 6.237 7.245 -6.213 1.00 42.54 N ATOM 194 CA LYS A 14 6.449 6.116 -7.125 1.00 42.00 C ATOM 195 C LYS A 14 5.251 5.141 -7.090 1.00 45.12 C ATOM 196 O LYS A 14 4.865 4.659 -6.020 1.00 30.13 O ATOM 197 CB LYS A 14 7.733 5.371 -6.730 1.00 73.03 C ATOM 198 CG LYS A 14 8.920 6.288 -6.433 1.00 31.13 C ATOM 199 CD LYS A 14 9.463 6.974 -7.686 1.00 44.55 C ATOM 200 CE LYS A 14 10.240 6.006 -8.572 1.00 12.40 C ATOM 201 NZ LYS A 14 10.819 6.683 -9.761 1.00 22.04 N ATOM 0 H LYS A 14 6.597 7.093 -5.271 1.00 42.54 H new ATOM 0 HA LYS A 14 6.544 6.505 -8.139 1.00 42.00 H new ATOM 0 HB2 LYS A 14 7.530 4.761 -5.850 1.00 73.03 H new ATOM 0 HB3 LYS A 14 8.007 4.689 -7.535 1.00 73.03 H new ATOM 0 HG2 LYS A 14 8.616 7.046 -5.711 1.00 31.13 H new ATOM 0 HG3 LYS A 14 9.716 5.706 -5.968 1.00 31.13 H new ATOM 0 HD2 LYS A 14 8.636 7.402 -8.253 1.00 44.55 H new ATOM 0 HD3 LYS A 14 10.111 7.801 -7.395 1.00 44.55 H new ATOM 0 HE2 LYS A 14 11.040 5.545 -7.992 1.00 12.40 H new ATOM 0 HE3 LYS A 14 9.579 5.203 -8.898 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 11.339 5.990 -10.336 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 10.055 7.101 -10.329 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 11.470 7.433 -9.451 1.00 22.04 H new ATOM 215 N PRO A 15 4.642 4.839 -8.255 1.00 12.11 N ATOM 216 CA PRO A 15 3.492 3.920 -8.339 1.00 20.43 C ATOM 217 C PRO A 15 3.883 2.438 -8.153 1.00 34.02 C ATOM 218 O PRO A 15 4.410 1.801 -9.069 1.00 11.14 O ATOM 219 CB PRO A 15 2.935 4.162 -9.763 1.00 24.34 C ATOM 220 CG PRO A 15 3.675 5.354 -10.295 1.00 20.23 C ATOM 221 CD PRO A 15 4.996 5.375 -9.578 1.00 14.01 C ATOM 0 HA PRO A 15 2.771 4.113 -7.544 1.00 20.43 H new ATOM 0 HB2 PRO A 15 3.092 3.290 -10.397 1.00 24.34 H new ATOM 0 HB3 PRO A 15 1.861 4.348 -9.736 1.00 24.34 H new ATOM 0 HG2 PRO A 15 3.817 5.276 -11.373 1.00 20.23 H new ATOM 0 HG3 PRO A 15 3.117 6.273 -10.113 1.00 20.23 H new ATOM 0 HD2 PRO A 15 5.741 4.759 -10.080 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.407 6.382 -9.512 1.00 14.01 H new ATOM 229 N VAL A 16 3.630 1.899 -6.961 1.00 54.44 N ATOM 230 CA VAL A 16 3.892 0.481 -6.666 1.00 40.41 C ATOM 231 C VAL A 16 2.588 -0.340 -6.677 1.00 15.20 C ATOM 232 O VAL A 16 1.544 0.130 -6.224 1.00 71.23 O ATOM 233 CB VAL A 16 4.602 0.320 -5.294 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.749 0.889 -4.158 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.958 -1.143 -5.026 1.00 30.45 C ATOM 0 H VAL A 16 3.242 2.422 -6.176 1.00 54.44 H new ATOM 0 HA VAL A 16 4.549 0.102 -7.449 1.00 40.41 H new ATOM 0 HB VAL A 16 5.530 0.891 -5.335 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.273 0.761 -3.211 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.570 1.950 -4.334 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.796 0.362 -4.119 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.454 -1.226 -4.059 1.00 30.45 H new ATOM 0 HG22 VAL A 16 4.048 -1.744 -5.020 1.00 30.45 H new ATOM 0 HG23 VAL A 16 5.626 -1.504 -5.808 1.00 30.45 H new ATOM 245 N VAL A 17 2.645 -1.561 -7.202 1.00 62.13 N ATOM 246 CA VAL A 17 1.453 -2.414 -7.298 1.00 43.44 C ATOM 247 C VAL A 17 1.197 -3.209 -6.001 1.00 70.04 C ATOM 248 O VAL A 17 1.978 -4.086 -5.618 1.00 43.23 O ATOM 249 CB VAL A 17 1.542 -3.386 -8.509 1.00 12.14 C ATOM 250 CG1 VAL A 17 2.797 -4.260 -8.437 1.00 11.14 C ATOM 251 CG2 VAL A 17 0.282 -4.247 -8.605 1.00 24.41 C ATOM 0 H VAL A 17 3.498 -1.985 -7.567 1.00 62.13 H new ATOM 0 HA VAL A 17 0.609 -1.742 -7.451 1.00 43.44 H new ATOM 0 HB VAL A 17 1.615 -2.782 -9.414 1.00 12.14 H new ATOM 0 HG11 VAL A 17 2.826 -4.927 -9.299 1.00 11.14 H new ATOM 0 HG12 VAL A 17 3.683 -3.625 -8.439 1.00 11.14 H new ATOM 0 HG13 VAL A 17 2.777 -4.851 -7.522 1.00 11.14 H new ATOM 0 HG21 VAL A 17 0.365 -4.920 -9.459 1.00 24.41 H new ATOM 0 HG22 VAL A 17 0.170 -4.832 -7.692 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -0.589 -3.604 -8.733 1.00 24.41 H new ATOM 261 N VAL A 18 0.101 -2.878 -5.325 1.00 30.21 N ATOM 262 CA VAL A 18 -0.331 -3.593 -4.120 1.00 4.35 C ATOM 263 C VAL A 18 -1.496 -4.544 -4.466 1.00 52.42 C ATOM 264 O VAL A 18 -2.044 -4.477 -5.564 1.00 35.30 O ATOM 265 CB VAL A 18 -0.770 -2.584 -3.021 1.00 64.54 C ATOM 266 CG1 VAL A 18 -1.027 -3.281 -1.688 1.00 62.24 C ATOM 267 CG2 VAL A 18 0.270 -1.473 -2.861 1.00 34.11 C ATOM 0 H VAL A 18 -0.514 -2.109 -5.593 1.00 30.21 H new ATOM 0 HA VAL A 18 0.505 -4.179 -3.738 1.00 4.35 H new ATOM 0 HB VAL A 18 -1.710 -2.135 -3.342 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -1.332 -2.544 -0.945 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -1.818 -4.021 -1.811 1.00 62.24 H new ATOM 0 HG13 VAL A 18 -0.115 -3.777 -1.355 1.00 62.24 H new ATOM 0 HG21 VAL A 18 -0.056 -0.778 -2.087 1.00 34.11 H new ATOM 0 HG22 VAL A 18 1.228 -1.909 -2.576 1.00 34.11 H new ATOM 0 HG23 VAL A 18 0.381 -0.939 -3.805 1.00 34.11 H new ATOM 277 N ARG A 19 -1.864 -5.445 -3.553 1.00 33.33 N ATOM 278 CA ARG A 19 -2.968 -6.388 -3.806 1.00 51.14 C ATOM 279 C ARG A 19 -3.839 -6.597 -2.550 1.00 53.34 C ATOM 280 O ARG A 19 -3.317 -6.764 -1.449 1.00 65.11 O ATOM 281 CB ARG A 19 -2.410 -7.737 -4.297 1.00 14.31 C ATOM 282 CG ARG A 19 -1.674 -7.650 -5.633 1.00 24.32 C ATOM 283 CD ARG A 19 -1.121 -8.999 -6.081 1.00 11.11 C ATOM 284 NE ARG A 19 -0.400 -8.894 -7.351 1.00 30.22 N ATOM 285 CZ ARG A 19 0.446 -9.783 -7.800 1.00 50.34 C ATOM 286 NH1 ARG A 19 0.690 -10.867 -7.135 1.00 53.35 N ATOM 287 NH2 ARG A 19 1.041 -9.583 -8.927 1.00 70.51 N ATOM 0 H ARG A 19 -1.422 -5.546 -2.639 1.00 33.33 H new ATOM 0 HA ARG A 19 -3.603 -5.957 -4.580 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -1.730 -8.134 -3.543 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.232 -8.447 -4.391 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -2.353 -7.268 -6.395 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -0.856 -6.935 -5.548 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -0.453 -9.391 -5.314 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -1.939 -9.711 -6.185 1.00 11.11 H new ATOM 0 HE ARG A 19 -0.570 -8.069 -7.926 1.00 30.22 H new ATOM 0 HH11 ARG A 19 0.219 -11.037 -6.246 1.00 53.35 H new ATOM 0 HH12 ARG A 19 1.353 -11.551 -7.500 1.00 53.35 H new ATOM 0 HH21 ARG A 19 0.850 -8.735 -9.461 1.00 70.51 H new ATOM 0 HH22 ARG A 19 1.703 -10.272 -9.284 1.00 70.51 H new ATOM 301 N LEU A 20 -5.166 -6.596 -2.727 1.00 70.41 N ATOM 302 CA LEU A 20 -6.108 -6.771 -1.603 1.00 51.52 C ATOM 303 C LEU A 20 -7.335 -7.610 -2.020 1.00 43.03 C ATOM 304 O LEU A 20 -7.716 -7.627 -3.188 1.00 11.41 O ATOM 305 CB LEU A 20 -6.559 -5.397 -1.079 1.00 61.44 C ATOM 306 CG LEU A 20 -7.479 -5.422 0.152 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.784 -6.092 1.337 1.00 50.32 C ATOM 308 CD2 LEU A 20 -7.929 -4.006 0.511 1.00 1.41 C ATOM 0 H LEU A 20 -5.616 -6.476 -3.635 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.590 -7.309 -0.809 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -5.672 -4.813 -0.835 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -7.074 -4.873 -1.884 1.00 61.44 H new ATOM 0 HG LEU A 20 -8.364 -6.010 -0.092 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -7.455 -6.098 2.196 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -6.523 -7.117 1.074 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -5.878 -5.540 1.587 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -8.580 -4.042 1.385 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -7.056 -3.392 0.733 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -8.473 -3.573 -0.329 1.00 1.41 H new ATOM 320 N TYR A 21 -7.938 -8.312 -1.059 1.00 64.30 N ATOM 321 CA TYR A 21 -9.085 -9.198 -1.328 1.00 53.45 C ATOM 322 C TYR A 21 -10.344 -8.414 -1.760 1.00 44.11 C ATOM 323 O TYR A 21 -10.733 -7.457 -1.098 1.00 72.45 O ATOM 324 CB TYR A 21 -9.399 -10.039 -0.082 1.00 74.41 C ATOM 325 CG TYR A 21 -8.308 -11.034 0.282 1.00 73.20 C ATOM 326 CD1 TYR A 21 -7.258 -10.683 1.126 1.00 65.25 C ATOM 327 CD2 TYR A 21 -8.328 -12.326 -0.229 1.00 72.14 C ATOM 328 CE1 TYR A 21 -6.263 -11.593 1.447 1.00 23.34 C ATOM 329 CE2 TYR A 21 -7.341 -13.237 0.090 1.00 3.02 C ATOM 330 CZ TYR A 21 -6.311 -12.870 0.925 1.00 0.54 C ATOM 331 OH TYR A 21 -5.326 -13.781 1.232 1.00 52.13 O ATOM 0 H TYR A 21 -7.653 -8.287 -0.080 1.00 64.30 H new ATOM 0 HA TYR A 21 -8.805 -9.849 -2.156 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.564 -9.371 0.763 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.331 -10.581 -0.247 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -7.218 -9.685 1.537 1.00 65.25 H new ATOM 0 HD2 TYR A 21 -9.131 -12.623 -0.888 1.00 72.14 H new ATOM 0 HE1 TYR A 21 -5.454 -11.304 2.102 1.00 23.34 H new ATOM 0 HE2 TYR A 21 -7.377 -14.237 -0.316 1.00 3.02 H new ATOM 0 HH TYR A 21 -5.132 -14.330 0.444 1.00 52.13 H new ATOM 341 N PRO A 22 -11.004 -8.837 -2.868 1.00 70.21 N ATOM 342 CA PRO A 22 -12.200 -8.163 -3.422 1.00 22.52 C ATOM 343 C PRO A 22 -13.242 -7.741 -2.367 1.00 72.44 C ATOM 344 O PRO A 22 -13.575 -6.561 -2.248 1.00 25.10 O ATOM 345 CB PRO A 22 -12.797 -9.225 -4.352 1.00 63.50 C ATOM 346 CG PRO A 22 -11.635 -10.040 -4.803 1.00 35.21 C ATOM 347 CD PRO A 22 -10.621 -10.011 -3.684 1.00 64.34 C ATOM 0 HA PRO A 22 -11.924 -7.226 -3.906 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -13.531 -9.839 -3.830 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -13.309 -8.766 -5.198 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -11.942 -11.063 -5.020 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -11.210 -9.633 -5.720 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -10.651 -10.929 -3.097 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -9.606 -9.912 -4.070 1.00 64.34 H new ATOM 355 N ASP A 23 -13.757 -8.708 -1.607 1.00 35.10 N ATOM 356 CA ASP A 23 -14.790 -8.435 -0.598 1.00 33.03 C ATOM 357 C ASP A 23 -14.281 -7.519 0.531 1.00 35.32 C ATOM 358 O ASP A 23 -15.069 -6.867 1.221 1.00 54.14 O ATOM 359 CB ASP A 23 -15.323 -9.753 -0.033 1.00 5.53 C ATOM 360 CG ASP A 23 -16.018 -10.576 -1.103 1.00 2.23 C ATOM 361 OD1 ASP A 23 -17.210 -10.322 -1.369 1.00 74.51 O ATOM 362 OD2 ASP A 23 -15.368 -11.452 -1.709 1.00 72.00 O ATOM 0 H ASP A 23 -13.478 -9.687 -1.668 1.00 35.10 H new ATOM 0 HA ASP A 23 -15.601 -7.899 -1.090 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -14.500 -10.327 0.392 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -16.020 -9.547 0.779 1.00 5.53 H new ATOM 367 N GLU A 24 -12.966 -7.463 0.710 1.00 63.43 N ATOM 368 CA GLU A 24 -12.360 -6.548 1.682 1.00 54.11 C ATOM 369 C GLU A 24 -12.081 -5.176 1.046 1.00 74.01 C ATOM 370 O GLU A 24 -12.057 -4.157 1.735 1.00 41.34 O ATOM 371 CB GLU A 24 -11.094 -7.176 2.283 1.00 11.15 C ATOM 372 CG GLU A 24 -11.416 -8.385 3.158 1.00 14.40 C ATOM 373 CD GLU A 24 -10.189 -9.121 3.680 1.00 12.45 C ATOM 374 OE1 GLU A 24 -9.562 -8.631 4.642 1.00 65.22 O ATOM 375 OE2 GLU A 24 -9.878 -10.215 3.153 1.00 42.11 O ATOM 0 H GLU A 24 -12.297 -8.037 0.198 1.00 63.43 H new ATOM 0 HA GLU A 24 -13.064 -6.381 2.497 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -10.423 -7.479 1.479 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -10.565 -6.430 2.876 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -12.017 -8.056 4.006 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -12.028 -9.082 2.585 1.00 14.40 H new ATOM 382 N ILE A 25 -11.902 -5.150 -0.279 1.00 72.23 N ATOM 383 CA ILE A 25 -11.881 -3.887 -1.031 1.00 61.51 C ATOM 384 C ILE A 25 -13.284 -3.261 -1.015 1.00 35.52 C ATOM 385 O ILE A 25 -13.444 -2.040 -1.029 1.00 61.43 O ATOM 386 CB ILE A 25 -11.421 -4.092 -2.502 1.00 41.13 C ATOM 387 CG1 ILE A 25 -10.001 -4.679 -2.544 1.00 13.03 C ATOM 388 CG2 ILE A 25 -11.476 -2.774 -3.282 1.00 22.51 C ATOM 389 CD1 ILE A 25 -9.471 -4.915 -3.945 1.00 50.20 C ATOM 0 H ILE A 25 -11.770 -5.983 -0.852 1.00 72.23 H new ATOM 0 HA ILE A 25 -11.163 -3.224 -0.549 1.00 61.51 H new ATOM 0 HB ILE A 25 -12.105 -4.797 -2.975 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.324 -4.004 -2.020 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -9.993 -5.624 -2.000 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.149 -2.944 -4.308 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -12.498 -2.395 -3.285 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -10.820 -2.044 -2.809 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -8.465 -5.330 -3.888 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -10.123 -5.615 -4.468 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -9.444 -3.970 -4.488 1.00 50.20 H new ATOM 401 N GLU A 26 -14.297 -4.124 -0.974 1.00 51.12 N ATOM 402 CA GLU A 26 -15.682 -3.689 -0.804 1.00 61.31 C ATOM 403 C GLU A 26 -15.863 -2.992 0.554 1.00 73.42 C ATOM 404 O GLU A 26 -16.422 -1.897 0.636 1.00 30.03 O ATOM 405 CB GLU A 26 -16.627 -4.891 -0.916 1.00 41.53 C ATOM 406 CG GLU A 26 -18.104 -4.522 -0.847 1.00 33.02 C ATOM 407 CD GLU A 26 -19.017 -5.731 -0.978 1.00 42.21 C ATOM 408 OE1 GLU A 26 -19.038 -6.349 -2.065 1.00 1.31 O ATOM 409 OE2 GLU A 26 -19.721 -6.064 0.000 1.00 11.14 O ATOM 0 H GLU A 26 -14.184 -5.134 -1.057 1.00 51.12 H new ATOM 0 HA GLU A 26 -15.924 -2.976 -1.592 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -16.435 -5.406 -1.857 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.400 -5.595 -0.115 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -18.305 -4.021 0.100 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -18.334 -3.810 -1.640 1.00 33.02 H new ATOM 416 N ALA A 27 -15.371 -3.631 1.618 1.00 41.52 N ATOM 417 CA ALA A 27 -15.355 -3.012 2.945 1.00 70.34 C ATOM 418 C ALA A 27 -14.516 -1.724 2.933 1.00 0.11 C ATOM 419 O ALA A 27 -14.857 -0.734 3.582 1.00 52.25 O ATOM 420 CB ALA A 27 -14.815 -3.991 3.985 1.00 15.25 C ATOM 0 H ALA A 27 -14.980 -4.573 1.587 1.00 41.52 H new ATOM 0 HA ALA A 27 -16.379 -2.752 3.213 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -14.810 -3.514 4.965 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -15.450 -4.877 4.015 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -13.799 -4.282 3.718 1.00 15.25 H new ATOM 426 N LEU A 28 -13.423 -1.746 2.169 1.00 72.51 N ATOM 427 CA LEU A 28 -12.563 -0.572 2.002 1.00 23.15 C ATOM 428 C LEU A 28 -13.340 0.612 1.397 1.00 11.20 C ATOM 429 O LEU A 28 -13.328 1.714 1.942 1.00 23.23 O ATOM 430 CB LEU A 28 -11.360 -0.922 1.111 1.00 53.11 C ATOM 431 CG LEU A 28 -10.336 0.207 0.902 1.00 55.21 C ATOM 432 CD1 LEU A 28 -9.632 0.550 2.214 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.321 -0.178 -0.176 1.00 13.50 C ATOM 0 H LEU A 28 -13.111 -2.569 1.653 1.00 72.51 H new ATOM 0 HA LEU A 28 -12.208 -0.273 2.988 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -10.845 -1.779 1.546 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -11.732 -1.236 0.136 1.00 53.11 H new ATOM 0 HG LEU A 28 -10.871 1.095 0.564 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -8.913 1.351 2.042 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -10.369 0.876 2.948 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -9.112 -0.331 2.589 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -8.606 0.634 -0.309 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -8.792 -1.081 0.128 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -9.841 -0.361 -1.116 1.00 13.50 H new ATOM 445 N LYS A 29 -14.038 0.381 0.281 1.00 74.04 N ATOM 446 CA LYS A 29 -14.798 1.453 -0.382 1.00 23.14 C ATOM 447 C LYS A 29 -16.006 1.901 0.463 1.00 43.00 C ATOM 448 O LYS A 29 -16.658 2.898 0.154 1.00 20.51 O ATOM 449 CB LYS A 29 -15.252 1.027 -1.790 1.00 13.03 C ATOM 450 CG LYS A 29 -16.270 -0.109 -1.817 1.00 3.41 C ATOM 451 CD LYS A 29 -16.672 -0.467 -3.247 1.00 44.50 C ATOM 452 CE LYS A 29 -17.705 -1.589 -3.289 1.00 22.54 C ATOM 453 NZ LYS A 29 -18.969 -1.221 -2.595 1.00 52.53 N ATOM 0 H LYS A 29 -14.095 -0.527 -0.181 1.00 74.04 H new ATOM 0 HA LYS A 29 -14.126 2.306 -0.483 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -15.681 1.892 -2.296 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -14.376 0.725 -2.363 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -15.850 -0.987 -1.325 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -17.155 0.181 -1.251 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -17.077 0.416 -3.741 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -15.787 -0.769 -3.807 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -17.923 -1.840 -4.327 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -17.286 -2.483 -2.826 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -19.695 -1.939 -2.793 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -18.801 -1.172 -1.570 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -19.296 -0.295 -2.937 1.00 52.53 H new ATOM 467 N SER A 30 -16.298 1.159 1.530 1.00 45.03 N ATOM 468 CA SER A 30 -17.359 1.540 2.475 1.00 72.31 C ATOM 469 C SER A 30 -16.827 2.491 3.560 1.00 14.32 C ATOM 470 O SER A 30 -17.601 3.057 4.338 1.00 25.42 O ATOM 471 CB SER A 30 -17.968 0.291 3.133 1.00 12.13 C ATOM 472 OG SER A 30 -19.057 0.628 3.985 1.00 24.12 O ATOM 0 H SER A 30 -15.818 0.290 1.766 1.00 45.03 H new ATOM 0 HA SER A 30 -18.131 2.061 1.910 1.00 72.31 H new ATOM 0 HB2 SER A 30 -18.309 -0.399 2.361 1.00 12.13 H new ATOM 0 HB3 SER A 30 -17.202 -0.228 3.709 1.00 12.13 H new ATOM 0 HG SER A 30 -18.997 1.574 4.234 1.00 24.12 H new ATOM 478 N ARG A 31 -15.504 2.666 3.608 1.00 74.43 N ATOM 479 CA ARG A 31 -14.866 3.521 4.621 1.00 23.31 C ATOM 480 C ARG A 31 -13.996 4.624 3.979 1.00 45.01 C ATOM 481 O ARG A 31 -13.207 5.288 4.659 1.00 31.52 O ATOM 482 CB ARG A 31 -14.029 2.650 5.579 1.00 60.52 C ATOM 483 CG ARG A 31 -12.748 2.079 4.963 1.00 25.43 C ATOM 484 CD ARG A 31 -12.264 0.816 5.683 1.00 64.45 C ATOM 485 NE ARG A 31 -12.190 0.980 7.136 1.00 1.12 N ATOM 486 CZ ARG A 31 -11.183 0.588 7.874 1.00 4.32 C ATOM 487 NH1 ARG A 31 -10.112 0.106 7.332 1.00 3.13 N ATOM 488 NH2 ARG A 31 -11.235 0.702 9.158 1.00 21.30 N ATOM 0 H ARG A 31 -14.851 2.228 2.958 1.00 74.43 H new ATOM 0 HA ARG A 31 -15.651 4.025 5.185 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -13.763 3.245 6.452 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -14.647 1.824 5.932 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -12.925 1.849 3.912 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -11.964 2.836 4.996 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -12.937 -0.009 5.450 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -11.280 0.542 5.303 1.00 64.45 H new ATOM 0 HE ARG A 31 -12.976 1.430 7.605 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -10.045 0.028 6.317 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -9.335 -0.196 7.919 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -12.063 1.099 9.602 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -10.448 0.395 9.730 1.00 21.30 H new ATOM 502 N VAL A 32 -14.155 4.831 2.669 1.00 43.31 N ATOM 503 CA VAL A 32 -13.416 5.883 1.950 1.00 22.13 C ATOM 504 C VAL A 32 -14.297 7.119 1.690 1.00 32.13 C ATOM 505 O VAL A 32 -15.519 7.009 1.549 1.00 53.01 O ATOM 506 CB VAL A 32 -12.860 5.374 0.591 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.906 4.203 0.796 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.996 4.994 -0.358 1.00 42.31 C ATOM 0 H VAL A 32 -14.787 4.287 2.082 1.00 43.31 H new ATOM 0 HA VAL A 32 -12.583 6.161 2.596 1.00 22.13 H new ATOM 0 HB VAL A 32 -12.299 6.188 0.133 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -11.531 3.866 -0.170 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -11.070 4.520 1.419 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -12.434 3.385 1.286 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -13.579 4.641 -1.301 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -14.597 4.203 0.092 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -14.623 5.866 -0.542 1.00 42.31 H new ATOM 518 N PRO A 33 -13.691 8.322 1.650 1.00 25.50 N ATOM 519 CA PRO A 33 -14.403 9.552 1.288 1.00 21.43 C ATOM 520 C PRO A 33 -14.462 9.780 -0.236 1.00 11.41 C ATOM 521 O PRO A 33 -13.710 9.170 -1.002 1.00 3.11 O ATOM 522 CB PRO A 33 -13.566 10.634 1.972 1.00 71.24 C ATOM 523 CG PRO A 33 -12.171 10.101 1.960 1.00 23.31 C ATOM 524 CD PRO A 33 -12.276 8.589 1.981 1.00 5.31 C ATOM 0 HA PRO A 33 -15.448 9.535 1.597 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -13.632 11.582 1.438 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -13.911 10.817 2.990 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -11.637 10.438 1.072 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -11.613 10.461 2.824 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -11.604 8.132 1.255 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -12.012 8.184 2.958 1.00 5.31 H new ATOM 532 N ALA A 34 -15.356 10.666 -0.674 1.00 33.12 N ATOM 533 CA ALA A 34 -15.517 10.970 -2.107 1.00 35.41 C ATOM 534 C ALA A 34 -14.330 11.770 -2.667 1.00 22.21 C ATOM 535 O ALA A 34 -14.037 11.721 -3.861 1.00 42.12 O ATOM 536 CB ALA A 34 -16.819 11.730 -2.334 1.00 53.21 C ATOM 0 H ALA A 34 -15.983 11.189 -0.062 1.00 33.12 H new ATOM 0 HA ALA A 34 -15.549 10.021 -2.643 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -16.931 11.951 -3.395 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -17.659 11.121 -2.000 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -16.799 12.662 -1.769 1.00 53.21 H new ATOM 542 N ASN A 35 -13.644 12.502 -1.791 1.00 52.44 N ATOM 543 CA ASN A 35 -12.510 13.348 -2.195 1.00 12.42 C ATOM 544 C ASN A 35 -11.193 12.556 -2.312 1.00 3.15 C ATOM 545 O ASN A 35 -10.179 13.089 -2.770 1.00 73.34 O ATOM 546 CB ASN A 35 -12.342 14.501 -1.195 1.00 12.41 C ATOM 547 CG ASN A 35 -13.506 15.479 -1.235 1.00 41.11 C ATOM 548 OD1 ASN A 35 -14.104 15.705 -2.280 1.00 63.42 O ATOM 549 ND2 ASN A 35 -13.844 16.059 -0.103 1.00 72.13 N ATOM 0 H ASN A 35 -13.851 12.530 -0.793 1.00 52.44 H new ATOM 0 HA ASN A 35 -12.735 13.742 -3.186 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -12.248 14.094 -0.188 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -11.416 15.034 -1.411 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -14.623 16.717 -0.080 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -13.327 15.851 0.751 1.00 72.13 H new ATOM 556 N THR A 36 -11.208 11.285 -1.916 1.00 12.31 N ATOM 557 CA THR A 36 -9.988 10.459 -1.922 1.00 32.01 C ATOM 558 C THR A 36 -10.188 9.157 -2.717 1.00 13.35 C ATOM 559 O THR A 36 -11.181 8.456 -2.532 1.00 72.02 O ATOM 560 CB THR A 36 -9.548 10.095 -0.480 1.00 22.31 C ATOM 561 OG1 THR A 36 -9.516 11.271 0.345 1.00 44.43 O ATOM 562 CG2 THR A 36 -8.174 9.434 -0.469 1.00 34.53 C ATOM 0 H THR A 36 -12.043 10.801 -1.587 1.00 12.31 H new ATOM 0 HA THR A 36 -9.213 11.057 -2.401 1.00 32.01 H new ATOM 0 HB THR A 36 -10.277 9.389 -0.083 1.00 22.31 H new ATOM 0 HG1 THR A 36 -9.238 11.026 1.253 1.00 44.43 H new ATOM 0 HG21 THR A 36 -7.895 9.192 0.556 1.00 34.53 H new ATOM 0 HG22 THR A 36 -8.205 8.520 -1.062 1.00 34.53 H new ATOM 0 HG23 THR A 36 -7.438 10.117 -0.893 1.00 34.53 H new ATOM 570 N SER A 37 -9.241 8.840 -3.600 1.00 64.42 N ATOM 571 CA SER A 37 -9.287 7.588 -4.376 1.00 14.32 C ATOM 572 C SER A 37 -8.815 6.396 -3.530 1.00 65.43 C ATOM 573 O SER A 37 -8.210 6.577 -2.476 1.00 3.00 O ATOM 574 CB SER A 37 -8.403 7.700 -5.628 1.00 62.04 C ATOM 575 OG SER A 37 -7.030 7.849 -5.288 1.00 42.03 O ATOM 0 H SER A 37 -8.432 9.428 -3.800 1.00 64.42 H new ATOM 0 HA SER A 37 -10.322 7.422 -4.674 1.00 14.32 H new ATOM 0 HB2 SER A 37 -8.531 6.811 -6.245 1.00 62.04 H new ATOM 0 HB3 SER A 37 -8.725 8.552 -6.226 1.00 62.04 H new ATOM 0 HG SER A 37 -6.511 7.125 -5.696 1.00 42.03 H new ATOM 581 N MET A 38 -9.086 5.174 -3.997 1.00 21.24 N ATOM 582 CA MET A 38 -8.628 3.967 -3.292 1.00 24.12 C ATOM 583 C MET A 38 -7.099 3.963 -3.141 1.00 3.03 C ATOM 584 O MET A 38 -6.570 3.665 -2.074 1.00 71.54 O ATOM 585 CB MET A 38 -9.082 2.702 -4.035 1.00 61.22 C ATOM 586 CG MET A 38 -10.596 2.559 -4.143 1.00 2.33 C ATOM 587 SD MET A 38 -11.085 1.036 -4.982 1.00 63.44 S ATOM 588 CE MET A 38 -12.871 1.171 -4.945 1.00 14.55 C ATOM 0 H MET A 38 -9.614 4.992 -4.850 1.00 21.24 H new ATOM 0 HA MET A 38 -9.074 3.974 -2.298 1.00 24.12 H new ATOM 0 HB2 MET A 38 -8.655 2.709 -5.038 1.00 61.22 H new ATOM 0 HB3 MET A 38 -8.680 1.828 -3.523 1.00 61.22 H new ATOM 0 HG2 MET A 38 -11.032 2.577 -3.144 1.00 2.33 H new ATOM 0 HG3 MET A 38 -11.002 3.415 -4.683 1.00 2.33 H new ATOM 0 HE1 MET A 38 -13.310 0.176 -4.876 1.00 14.55 H new ATOM 0 HE2 MET A 38 -13.173 1.762 -4.080 1.00 14.55 H new ATOM 0 HE3 MET A 38 -13.218 1.658 -5.856 1.00 14.55 H new ATOM 598 N SER A 39 -6.402 4.314 -4.219 1.00 24.21 N ATOM 599 CA SER A 39 -4.935 4.411 -4.209 1.00 74.42 C ATOM 600 C SER A 39 -4.446 5.457 -3.196 1.00 10.11 C ATOM 601 O SER A 39 -3.593 5.175 -2.355 1.00 62.41 O ATOM 602 CB SER A 39 -4.425 4.770 -5.611 1.00 33.02 C ATOM 603 OG SER A 39 -5.033 5.962 -6.091 1.00 13.12 O ATOM 0 H SER A 39 -6.828 4.538 -5.118 1.00 24.21 H new ATOM 0 HA SER A 39 -4.538 3.441 -3.911 1.00 74.42 H new ATOM 0 HB2 SER A 39 -3.343 4.896 -5.586 1.00 33.02 H new ATOM 0 HB3 SER A 39 -4.635 3.950 -6.298 1.00 33.02 H new ATOM 0 HG SER A 39 -4.689 6.168 -6.985 1.00 13.12 H new ATOM 609 N ALA A 40 -4.997 6.666 -3.283 1.00 14.42 N ATOM 610 CA ALA A 40 -4.648 7.750 -2.356 1.00 14.33 C ATOM 611 C ALA A 40 -5.060 7.418 -0.909 1.00 33.44 C ATOM 612 O ALA A 40 -4.461 7.915 0.049 1.00 51.12 O ATOM 613 CB ALA A 40 -5.290 9.056 -2.808 1.00 74.14 C ATOM 0 H ALA A 40 -5.689 6.924 -3.987 1.00 14.42 H new ATOM 0 HA ALA A 40 -3.564 7.863 -2.369 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -5.024 9.852 -2.113 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -4.932 9.311 -3.806 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -6.374 8.940 -2.830 1.00 74.14 H new ATOM 619 N TYR A 41 -6.085 6.580 -0.760 1.00 11.42 N ATOM 620 CA TYR A 41 -6.542 6.141 0.562 1.00 41.04 C ATOM 621 C TYR A 41 -5.542 5.150 1.176 1.00 25.42 C ATOM 622 O TYR A 41 -5.081 5.334 2.303 1.00 2.53 O ATOM 623 CB TYR A 41 -7.936 5.503 0.465 1.00 4.34 C ATOM 624 CG TYR A 41 -8.603 5.283 1.810 1.00 2.14 C ATOM 625 CD1 TYR A 41 -9.336 6.300 2.416 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.509 4.063 2.473 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.955 6.109 3.636 1.00 4.32 C ATOM 628 CE2 TYR A 41 -9.128 3.864 3.692 1.00 3.44 C ATOM 629 CZ TYR A 41 -9.849 4.891 4.270 1.00 14.21 C ATOM 630 OH TYR A 41 -10.471 4.698 5.483 1.00 73.35 O ATOM 0 H TYR A 41 -6.617 6.190 -1.538 1.00 11.42 H new ATOM 0 HA TYR A 41 -6.606 7.015 1.211 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -8.575 6.139 -0.147 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -7.852 4.546 -0.050 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -9.422 7.257 1.923 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -7.943 3.259 2.027 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -10.519 6.910 4.090 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -9.049 2.910 4.191 1.00 3.44 H new ATOM 0 HH TYR A 41 -11.427 4.892 5.395 1.00 73.35 H new ATOM 640 N ILE A 42 -5.199 4.103 0.421 1.00 61.22 N ATOM 641 CA ILE A 42 -4.172 3.147 0.854 1.00 11.42 C ATOM 642 C ILE A 42 -2.849 3.867 1.141 1.00 52.44 C ATOM 643 O ILE A 42 -2.105 3.484 2.049 1.00 30.32 O ATOM 644 CB ILE A 42 -3.928 2.034 -0.202 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.217 1.232 -0.451 1.00 62.40 C ATOM 646 CG2 ILE A 42 -2.791 1.107 0.239 1.00 14.52 C ATOM 647 CD1 ILE A 42 -5.750 0.513 0.776 1.00 75.24 C ATOM 0 H ILE A 42 -5.613 3.895 -0.488 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.543 2.679 1.766 1.00 11.42 H new ATOM 0 HB ILE A 42 -3.635 2.510 -1.138 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -5.986 1.908 -0.824 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -5.029 0.499 -1.235 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -2.637 0.335 -0.515 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -1.875 1.686 0.358 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.050 0.639 1.189 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -6.659 -0.028 0.514 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -5.001 -0.191 1.139 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -5.972 1.241 1.556 1.00 75.24 H new ATOM 659 N ARG A 43 -2.575 4.922 0.371 1.00 34.24 N ATOM 660 CA ARG A 43 -1.375 5.738 0.570 1.00 51.32 C ATOM 661 C ARG A 43 -1.273 6.229 2.027 1.00 55.13 C ATOM 662 O ARG A 43 -0.199 6.195 2.615 1.00 53.23 O ATOM 663 CB ARG A 43 -1.364 6.930 -0.405 1.00 24.04 C ATOM 664 CG ARG A 43 -0.060 7.732 -0.401 1.00 1.23 C ATOM 665 CD ARG A 43 -0.050 8.834 -1.462 1.00 23.44 C ATOM 666 NE ARG A 43 -1.063 9.860 -1.216 1.00 31.32 N ATOM 667 CZ ARG A 43 -1.061 11.047 -1.765 1.00 74.14 C ATOM 668 NH1 ARG A 43 -0.146 11.389 -2.621 1.00 13.50 N ATOM 669 NH2 ARG A 43 -1.988 11.892 -1.457 1.00 51.23 N ATOM 0 H ARG A 43 -3.169 5.232 -0.398 1.00 34.24 H new ATOM 0 HA ARG A 43 -0.506 5.114 0.364 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -1.547 6.561 -1.414 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -2.189 7.597 -0.155 1.00 24.04 H new ATOM 0 HG2 ARG A 43 0.086 8.177 0.583 1.00 1.23 H new ATOM 0 HG3 ARG A 43 0.779 7.058 -0.574 1.00 1.23 H new ATOM 0 HD2 ARG A 43 0.935 9.300 -1.488 1.00 23.44 H new ATOM 0 HD3 ARG A 43 -0.218 8.390 -2.443 1.00 23.44 H new ATOM 0 HE ARG A 43 -1.822 9.635 -0.573 1.00 31.32 H new ATOM 0 HH11 ARG A 43 0.587 10.727 -2.875 1.00 13.50 H new ATOM 0 HH12 ARG A 43 -0.161 12.319 -3.039 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -2.714 11.632 -0.790 1.00 51.23 H new ATOM 0 HH22 ARG A 43 -1.994 12.820 -1.881 1.00 51.23 H new ATOM 683 N ARG A 44 -2.401 6.654 2.617 1.00 61.41 N ATOM 684 CA ARG A 44 -2.405 7.121 4.017 1.00 20.42 C ATOM 685 C ARG A 44 -2.134 5.954 4.987 1.00 51.50 C ATOM 686 O ARG A 44 -1.470 6.119 6.013 1.00 10.23 O ATOM 687 CB ARG A 44 -3.749 7.804 4.377 1.00 34.24 C ATOM 688 CG ARG A 44 -4.833 6.849 4.894 1.00 24.24 C ATOM 689 CD ARG A 44 -6.150 7.561 5.205 1.00 42.11 C ATOM 690 NE ARG A 44 -5.984 8.653 6.167 1.00 1.25 N ATOM 691 CZ ARG A 44 -6.961 9.186 6.859 1.00 22.05 C ATOM 692 NH1 ARG A 44 -8.145 8.654 6.856 1.00 14.32 N ATOM 693 NH2 ARG A 44 -6.731 10.223 7.595 1.00 10.22 N ATOM 0 H ARG A 44 -3.311 6.685 2.157 1.00 61.41 H new ATOM 0 HA ARG A 44 -1.606 7.855 4.118 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -3.563 8.565 5.134 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -4.128 8.319 3.494 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -5.012 6.073 4.150 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -4.473 6.351 5.794 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -6.573 7.956 4.281 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.865 6.839 5.600 1.00 42.11 H new ATOM 0 HE ARG A 44 -5.044 9.024 6.308 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -8.324 7.811 6.311 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -8.896 9.079 7.399 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -5.793 10.622 7.635 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -7.487 10.642 8.136 1.00 10.22 H new ATOM 707 N ILE A 45 -2.650 4.774 4.640 1.00 34.40 N ATOM 708 CA ILE A 45 -2.524 3.581 5.486 1.00 11.24 C ATOM 709 C ILE A 45 -1.064 3.117 5.597 1.00 13.32 C ATOM 710 O ILE A 45 -0.538 2.946 6.698 1.00 21.12 O ATOM 711 CB ILE A 45 -3.393 2.413 4.943 1.00 60.24 C ATOM 712 CG1 ILE A 45 -4.881 2.811 4.931 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.177 1.141 5.767 1.00 63.54 C ATOM 714 CD1 ILE A 45 -5.800 1.743 4.371 1.00 65.35 C ATOM 0 H ILE A 45 -3.163 4.616 3.773 1.00 34.40 H new ATOM 0 HA ILE A 45 -2.879 3.861 6.478 1.00 11.24 H new ATOM 0 HB ILE A 45 -3.084 2.204 3.919 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.192 3.046 5.949 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -4.998 3.722 4.343 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -3.797 0.339 5.367 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.128 0.849 5.717 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.452 1.329 6.805 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -6.830 2.099 4.397 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -5.518 1.523 3.341 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -5.714 0.838 4.972 1.00 65.35 H new ATOM 726 N ILE A 46 -0.416 2.916 4.451 1.00 74.51 N ATOM 727 CA ILE A 46 0.980 2.468 4.428 1.00 65.01 C ATOM 728 C ILE A 46 1.946 3.591 4.838 1.00 34.43 C ATOM 729 O ILE A 46 2.984 3.326 5.449 1.00 71.04 O ATOM 730 CB ILE A 46 1.378 1.904 3.039 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.108 2.934 1.926 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.629 0.599 2.764 1.00 43.31 C ATOM 733 CD1 ILE A 46 1.443 2.439 0.532 1.00 50.55 C ATOM 0 H ILE A 46 -0.830 3.055 3.529 1.00 74.51 H new ATOM 0 HA ILE A 46 1.060 1.665 5.160 1.00 65.01 H new ATOM 0 HB ILE A 46 2.448 1.696 3.047 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.056 3.219 1.956 1.00 42.21 H new ATOM 0 HG13 ILE A 46 1.688 3.834 2.130 1.00 42.21 H new ATOM 0 HG21 ILE A 46 0.917 0.213 1.786 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.880 -0.133 3.531 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.445 0.786 2.778 1.00 43.31 H new ATOM 0 HD11 ILE A 46 1.225 3.222 -0.194 1.00 50.55 H new ATOM 0 HD12 ILE A 46 2.501 2.182 0.482 1.00 50.55 H new ATOM 0 HD13 ILE A 46 0.844 1.557 0.305 1.00 50.55 H new ATOM 745 N LEU A 47 1.594 4.840 4.513 1.00 4.21 N ATOM 746 CA LEU A 47 2.382 6.016 4.929 1.00 21.41 C ATOM 747 C LEU A 47 2.713 5.958 6.427 1.00 62.12 C ATOM 748 O LEU A 47 3.877 5.909 6.823 1.00 32.41 O ATOM 749 CB LEU A 47 1.601 7.309 4.626 1.00 25.35 C ATOM 750 CG LEU A 47 2.310 8.628 4.984 1.00 3.11 C ATOM 751 CD1 LEU A 47 3.561 8.827 4.134 1.00 43.44 C ATOM 752 CD2 LEU A 47 1.355 9.810 4.828 1.00 55.44 C ATOM 0 H LEU A 47 0.767 5.068 3.962 1.00 4.21 H new ATOM 0 HA LEU A 47 3.316 6.011 4.367 1.00 21.41 H new ATOM 0 HB2 LEU A 47 1.363 7.325 3.562 1.00 25.35 H new ATOM 0 HB3 LEU A 47 0.654 7.272 5.164 1.00 25.35 H new ATOM 0 HG LEU A 47 2.621 8.572 6.027 1.00 3.11 H new ATOM 0 HD11 LEU A 47 4.042 9.766 4.408 1.00 43.44 H new ATOM 0 HD12 LEU A 47 4.252 8.002 4.306 1.00 43.44 H new ATOM 0 HD13 LEU A 47 3.284 8.855 3.080 1.00 43.44 H new ATOM 0 HD21 LEU A 47 1.874 10.733 5.085 1.00 55.44 H new ATOM 0 HD22 LEU A 47 1.008 9.864 3.796 1.00 55.44 H new ATOM 0 HD23 LEU A 47 0.500 9.677 5.491 1.00 55.44 H new ATOM 764 N ASN A 48 1.673 5.902 7.257 1.00 72.03 N ATOM 765 CA ASN A 48 1.844 5.882 8.716 1.00 1.21 C ATOM 766 C ASN A 48 2.392 4.535 9.235 1.00 33.43 C ATOM 767 O ASN A 48 2.245 4.206 10.415 1.00 33.30 O ATOM 768 CB ASN A 48 0.516 6.220 9.398 1.00 53.54 C ATOM 769 CG ASN A 48 0.082 7.646 9.114 1.00 74.23 C ATOM 770 OD1 ASN A 48 0.490 8.579 9.799 1.00 53.21 O ATOM 771 ND2 ASN A 48 -0.749 7.835 8.109 1.00 71.42 N ATOM 0 H ASN A 48 0.701 5.870 6.948 1.00 72.03 H new ATOM 0 HA ASN A 48 2.589 6.637 8.966 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.255 5.530 9.054 1.00 53.54 H new ATOM 0 HB3 ASN A 48 0.614 6.078 10.474 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -1.070 8.776 7.883 1.00 71.42 H new ATOM 0 HD22 ASN A 48 -1.071 7.040 7.557 1.00 71.42 H new ATOM 778 N HIS A 49 3.034 3.763 8.357 1.00 72.21 N ATOM 779 CA HIS A 49 3.756 2.558 8.766 1.00 44.02 C ATOM 780 C HIS A 49 5.196 2.586 8.232 1.00 13.23 C ATOM 781 O HIS A 49 6.139 2.285 8.955 1.00 50.12 O ATOM 782 CB HIS A 49 3.036 1.290 8.291 1.00 42.23 C ATOM 783 CG HIS A 49 3.641 0.028 8.840 1.00 74.25 C ATOM 784 ND1 HIS A 49 3.601 -0.300 10.176 1.00 73.20 N ATOM 785 CD2 HIS A 49 4.328 -0.970 8.234 1.00 70.33 C ATOM 786 CE1 HIS A 49 4.230 -1.441 10.370 1.00 34.33 C ATOM 787 NE2 HIS A 49 4.685 -1.874 9.211 1.00 44.20 N ATOM 0 H HIS A 49 3.068 3.952 7.355 1.00 72.21 H new ATOM 0 HA HIS A 49 3.786 2.541 9.855 1.00 44.02 H new ATOM 0 HB2 HIS A 49 1.988 1.342 8.587 1.00 42.23 H new ATOM 0 HB3 HIS A 49 3.059 1.253 7.202 1.00 42.23 H new ATOM 0 HD2 HIS A 49 4.554 -1.044 7.180 1.00 70.33 H new ATOM 0 HE1 HIS A 49 4.353 -1.939 11.320 1.00 34.33 H new ATOM 0 HE2 HIS A 49 5.213 -2.734 9.062 1.00 44.20 H new ATOM 796 N LEU A 50 5.359 2.961 6.964 1.00 34.00 N ATOM 797 CA LEU A 50 6.689 3.031 6.345 1.00 35.33 C ATOM 798 C LEU A 50 7.532 4.176 6.929 1.00 4.14 C ATOM 799 O LEU A 50 8.575 3.926 7.539 1.00 34.12 O ATOM 800 CB LEU A 50 6.577 3.160 4.816 1.00 11.12 C ATOM 801 CG LEU A 50 6.361 1.839 4.052 1.00 60.13 C ATOM 802 CD1 LEU A 50 7.532 0.884 4.285 1.00 4.31 C ATOM 803 CD2 LEU A 50 5.041 1.177 4.447 1.00 23.32 C ATOM 0 H LEU A 50 4.592 3.221 6.344 1.00 34.00 H new ATOM 0 HA LEU A 50 7.203 2.098 6.575 1.00 35.33 H new ATOM 0 HB2 LEU A 50 5.750 3.832 4.585 1.00 11.12 H new ATOM 0 HB3 LEU A 50 7.485 3.632 4.441 1.00 11.12 H new ATOM 0 HG LEU A 50 6.311 2.074 2.989 1.00 60.13 H new ATOM 0 HD11 LEU A 50 7.360 -0.043 3.737 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.454 1.347 3.935 1.00 4.31 H new ATOM 0 HD13 LEU A 50 7.617 0.666 5.350 1.00 4.31 H new ATOM 0 HD21 LEU A 50 4.919 0.248 3.890 1.00 23.32 H new ATOM 0 HD22 LEU A 50 5.047 0.962 5.516 1.00 23.32 H new ATOM 0 HD23 LEU A 50 4.214 1.849 4.217 1.00 23.32 H new ATOM 815 N GLU A 51 7.089 5.427 6.754 1.00 62.31 N ATOM 816 CA GLU A 51 7.789 6.575 7.357 1.00 31.23 C ATOM 817 C GLU A 51 7.835 6.441 8.888 1.00 72.44 C ATOM 818 O GLU A 51 8.757 6.924 9.548 1.00 64.45 O ATOM 819 CB GLU A 51 7.116 7.909 6.980 1.00 73.14 C ATOM 820 CG GLU A 51 5.793 8.180 7.703 1.00 65.35 C ATOM 821 CD GLU A 51 5.300 9.611 7.525 1.00 2.25 C ATOM 822 OE1 GLU A 51 6.142 10.536 7.500 1.00 4.33 O ATOM 823 OE2 GLU A 51 4.072 9.825 7.441 1.00 53.11 O ATOM 0 H GLU A 51 6.262 5.671 6.209 1.00 62.31 H new ATOM 0 HA GLU A 51 8.805 6.576 6.963 1.00 31.23 H new ATOM 0 HB2 GLU A 51 7.807 8.724 7.196 1.00 73.14 H new ATOM 0 HB3 GLU A 51 6.937 7.920 5.905 1.00 73.14 H new ATOM 0 HG2 GLU A 51 5.034 7.491 7.331 1.00 65.35 H new ATOM 0 HG3 GLU A 51 5.917 7.974 8.766 1.00 65.35 H new ATOM 830 N ASP A 52 6.821 5.774 9.438 1.00 61.15 N ATOM 831 CA ASP A 52 6.707 5.558 10.882 1.00 41.04 C ATOM 832 C ASP A 52 7.842 4.660 11.414 1.00 62.24 C ATOM 833 O ASP A 52 8.255 4.782 12.571 1.00 21.22 O ATOM 834 CB ASP A 52 5.339 4.942 11.189 1.00 54.12 C ATOM 835 CG ASP A 52 5.063 4.821 12.675 1.00 41.43 C ATOM 836 OD1 ASP A 52 4.884 5.864 13.337 1.00 22.33 O ATOM 837 OD2 ASP A 52 5.000 3.686 13.186 1.00 11.13 O ATOM 0 H ASP A 52 6.057 5.369 8.898 1.00 61.15 H new ATOM 0 HA ASP A 52 6.798 6.519 11.388 1.00 41.04 H new ATOM 0 HB2 ASP A 52 4.561 5.551 10.729 1.00 54.12 H new ATOM 0 HB3 ASP A 52 5.281 3.954 10.733 1.00 54.12 H new ATOM 842 N GLU A 53 8.327 3.749 10.571 1.00 23.51 N ATOM 843 CA GLU A 53 9.479 2.904 10.910 1.00 4.51 C ATOM 844 C GLU A 53 10.772 3.514 10.358 1.00 42.35 C ATOM 845 O GLU A 53 11.858 2.922 10.461 1.00 63.32 O ATOM 846 CB GLU A 53 9.285 1.485 10.354 1.00 11.53 C ATOM 847 CG GLU A 53 8.049 0.770 10.895 1.00 62.02 C ATOM 848 CD GLU A 53 7.824 -0.585 10.245 1.00 73.40 C ATOM 849 OE1 GLU A 53 7.267 -0.632 9.130 1.00 33.30 O ATOM 850 OE2 GLU A 53 8.224 -1.611 10.830 1.00 62.21 O ATOM 0 H GLU A 53 7.940 3.574 9.643 1.00 23.51 H new ATOM 0 HA GLU A 53 9.555 2.847 11.996 1.00 4.51 H new ATOM 0 HB2 GLU A 53 9.215 1.538 9.268 1.00 11.53 H new ATOM 0 HB3 GLU A 53 10.168 0.890 10.588 1.00 11.53 H new ATOM 0 HG2 GLU A 53 8.152 0.639 11.972 1.00 62.02 H new ATOM 0 HG3 GLU A 53 7.172 1.396 10.733 1.00 62.02 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -15.815 -20.516 -2.782 1.00 74.31 N ATOM 859 CA MET B 201 -15.666 -20.951 -4.172 1.00 60.35 C ATOM 860 C MET B 201 -17.037 -21.060 -4.866 1.00 20.14 C ATOM 861 O MET B 201 -17.148 -20.881 -6.081 1.00 71.24 O ATOM 862 CB MET B 201 -14.912 -22.290 -4.242 1.00 71.12 C ATOM 863 CG MET B 201 -13.410 -22.161 -3.997 1.00 1.10 C ATOM 864 SD MET B 201 -13.008 -21.374 -2.423 1.00 3.20 S ATOM 865 CE MET B 201 -13.641 -22.575 -1.256 1.00 43.33 C ATOM 0 HA MET B 201 -15.081 -20.199 -4.701 1.00 60.35 H new ATOM 0 HB2 MET B 201 -15.334 -22.974 -3.506 1.00 71.12 H new ATOM 0 HB3 MET B 201 -15.074 -22.738 -5.222 1.00 71.12 H new ATOM 0 HG2 MET B 201 -12.958 -23.152 -4.025 1.00 1.10 H new ATOM 0 HG3 MET B 201 -12.965 -21.584 -4.808 1.00 1.10 H new ATOM 0 HE1 MET B 201 -13.310 -22.315 -0.251 1.00 43.33 H new ATOM 0 HE2 MET B 201 -14.730 -22.576 -1.290 1.00 43.33 H new ATOM 0 HE3 MET B 201 -13.269 -23.566 -1.516 1.00 43.33 H new ATOM 875 N VAL B 202 -18.075 -21.362 -4.085 1.00 31.44 N ATOM 876 CA VAL B 202 -19.461 -21.376 -4.585 1.00 11.14 C ATOM 877 C VAL B 202 -20.216 -20.106 -4.137 1.00 22.42 C ATOM 878 O VAL B 202 -21.350 -19.854 -4.546 1.00 73.22 O ATOM 879 CB VAL B 202 -20.220 -22.637 -4.086 1.00 54.30 C ATOM 880 CG1 VAL B 202 -20.405 -22.602 -2.569 1.00 62.33 C ATOM 881 CG2 VAL B 202 -21.567 -22.791 -4.794 1.00 54.51 C ATOM 0 H VAL B 202 -17.987 -21.602 -3.098 1.00 31.44 H new ATOM 0 HA VAL B 202 -19.419 -21.400 -5.674 1.00 11.14 H new ATOM 0 HB VAL B 202 -19.611 -23.507 -4.333 1.00 54.30 H new ATOM 0 HG11 VAL B 202 -20.939 -23.496 -2.247 1.00 62.33 H new ATOM 0 HG12 VAL B 202 -19.429 -22.567 -2.084 1.00 62.33 H new ATOM 0 HG13 VAL B 202 -20.979 -21.717 -2.293 1.00 62.33 H new ATOM 0 HG21 VAL B 202 -22.073 -23.682 -4.423 1.00 54.51 H new ATOM 0 HG22 VAL B 202 -22.184 -21.914 -4.597 1.00 54.51 H new ATOM 0 HG23 VAL B 202 -21.405 -22.886 -5.868 1.00 54.51 H new ATOM 891 N GLY B 203 -19.555 -19.300 -3.310 1.00 53.41 N ATOM 892 CA GLY B 203 -20.177 -18.112 -2.733 1.00 41.25 C ATOM 893 C GLY B 203 -19.550 -17.726 -1.395 1.00 34.15 C ATOM 894 O GLY B 203 -20.253 -17.521 -0.400 1.00 43.02 O ATOM 0 H GLY B 203 -18.587 -19.449 -3.024 1.00 53.41 H new ATOM 0 HA2 GLY B 203 -20.083 -17.279 -3.430 1.00 41.25 H new ATOM 0 HA3 GLY B 203 -21.243 -18.293 -2.594 1.00 41.25 H new ATOM 898 N ARG B 204 -18.220 -17.637 -1.373 1.00 32.31 N ATOM 899 CA ARG B 204 -17.466 -17.334 -0.147 1.00 2.21 C ATOM 900 C ARG B 204 -16.391 -16.267 -0.407 1.00 22.25 C ATOM 901 O ARG B 204 -16.206 -15.818 -1.541 1.00 72.12 O ATOM 902 CB ARG B 204 -16.795 -18.611 0.393 1.00 32.41 C ATOM 903 CG ARG B 204 -17.765 -19.743 0.722 1.00 4.51 C ATOM 904 CD ARG B 204 -18.786 -19.329 1.776 1.00 51.02 C ATOM 905 NE ARG B 204 -19.702 -20.420 2.102 1.00 61.42 N ATOM 906 CZ ARG B 204 -20.992 -20.390 1.899 1.00 1.11 C ATOM 907 NH1 ARG B 204 -21.556 -19.369 1.334 1.00 31.34 N ATOM 908 NH2 ARG B 204 -21.718 -21.397 2.257 1.00 41.42 N ATOM 0 H ARG B 204 -17.634 -17.771 -2.197 1.00 32.31 H new ATOM 0 HA ARG B 204 -18.170 -16.949 0.591 1.00 2.21 H new ATOM 0 HB2 ARG B 204 -16.076 -18.968 -0.344 1.00 32.41 H new ATOM 0 HB3 ARG B 204 -16.232 -18.359 1.292 1.00 32.41 H new ATOM 0 HG2 ARG B 204 -18.285 -20.051 -0.185 1.00 4.51 H new ATOM 0 HG3 ARG B 204 -17.206 -20.608 1.078 1.00 4.51 H new ATOM 0 HD2 ARG B 204 -18.267 -19.008 2.679 1.00 51.02 H new ATOM 0 HD3 ARG B 204 -19.355 -18.472 1.414 1.00 51.02 H new ATOM 0 HE ARG B 204 -19.306 -21.264 2.517 1.00 61.42 H new ATOM 0 HH11 ARG B 204 -20.991 -18.572 1.040 1.00 31.34 H new ATOM 0 HH12 ARG B 204 -22.565 -19.362 1.183 1.00 31.34 H new ATOM 0 HH21 ARG B 204 -21.283 -22.209 2.695 1.00 41.42 H new ATOM 0 HH22 ARG B 204 -22.726 -21.380 2.101 1.00 41.42 H new ATOM 922 N ARG B 205 -15.690 -15.862 0.653 1.00 64.23 N ATOM 923 CA ARG B 205 -14.574 -14.915 0.528 1.00 62.04 C ATOM 924 C ARG B 205 -13.382 -15.561 -0.208 1.00 72.43 C ATOM 925 O ARG B 205 -13.154 -16.768 -0.103 1.00 74.51 O ATOM 926 CB ARG B 205 -14.117 -14.420 1.914 1.00 64.22 C ATOM 927 CG ARG B 205 -13.424 -15.490 2.755 1.00 42.31 C ATOM 928 CD ARG B 205 -12.787 -14.910 4.018 1.00 22.25 C ATOM 929 NE ARG B 205 -11.800 -13.866 3.718 1.00 51.24 N ATOM 930 CZ ARG B 205 -10.528 -14.085 3.499 1.00 25.24 C ATOM 931 NH1 ARG B 205 -10.047 -15.289 3.508 1.00 52.51 N ATOM 932 NH2 ARG B 205 -9.729 -13.088 3.279 1.00 64.54 N ATOM 0 H ARG B 205 -15.872 -16.173 1.607 1.00 64.23 H new ATOM 0 HA ARG B 205 -14.929 -14.064 -0.054 1.00 62.04 H new ATOM 0 HB2 ARG B 205 -13.437 -13.578 1.782 1.00 64.22 H new ATOM 0 HB3 ARG B 205 -14.984 -14.047 2.460 1.00 64.22 H new ATOM 0 HG2 ARG B 205 -14.148 -16.255 3.034 1.00 42.31 H new ATOM 0 HG3 ARG B 205 -12.657 -15.980 2.156 1.00 42.31 H new ATOM 0 HD2 ARG B 205 -13.567 -14.496 4.658 1.00 22.25 H new ATOM 0 HD3 ARG B 205 -12.306 -15.711 4.579 1.00 22.25 H new ATOM 0 HE ARG B 205 -12.128 -12.901 3.677 1.00 51.24 H new ATOM 0 HH11 ARG B 205 -10.662 -16.083 3.688 1.00 52.51 H new ATOM 0 HH12 ARG B 205 -9.053 -15.443 3.335 1.00 52.51 H new ATOM 0 HH21 ARG B 205 -10.092 -12.135 3.277 1.00 64.54 H new ATOM 0 HH22 ARG B 205 -8.738 -13.257 3.108 1.00 64.54 H new ATOM 946 N PRO B 206 -12.601 -14.765 -0.957 1.00 11.05 N ATOM 947 CA PRO B 206 -11.420 -15.270 -1.676 1.00 41.23 C ATOM 948 C PRO B 206 -10.222 -15.531 -0.741 1.00 32.41 C ATOM 949 O PRO B 206 -10.066 -14.874 0.289 1.00 21.01 O ATOM 950 CB PRO B 206 -11.111 -14.135 -2.659 1.00 10.20 C ATOM 951 CG PRO B 206 -11.602 -12.903 -1.973 1.00 63.34 C ATOM 952 CD PRO B 206 -12.806 -13.319 -1.168 1.00 42.14 C ATOM 0 HA PRO B 206 -11.605 -16.232 -2.153 1.00 41.23 H new ATOM 0 HB2 PRO B 206 -10.044 -14.073 -2.871 1.00 10.20 H new ATOM 0 HB3 PRO B 206 -11.617 -14.287 -3.613 1.00 10.20 H new ATOM 0 HG2 PRO B 206 -10.830 -12.483 -1.329 1.00 63.34 H new ATOM 0 HG3 PRO B 206 -11.866 -12.133 -2.698 1.00 63.34 H new ATOM 0 HD2 PRO B 206 -12.861 -12.780 -0.222 1.00 42.14 H new ATOM 0 HD3 PRO B 206 -13.734 -13.120 -1.703 1.00 42.14 H new ATOM 960 N GLY B 207 -9.385 -16.501 -1.106 1.00 14.33 N ATOM 961 CA GLY B 207 -8.200 -16.811 -0.310 1.00 31.53 C ATOM 962 C GLY B 207 -7.480 -18.071 -0.784 1.00 42.55 C ATOM 963 O GLY B 207 -7.307 -19.020 -0.019 1.00 53.55 O ATOM 0 H GLY B 207 -9.503 -17.079 -1.938 1.00 14.33 H new ATOM 0 HA2 GLY B 207 -7.511 -15.968 -0.350 1.00 31.53 H new ATOM 0 HA3 GLY B 207 -8.491 -16.935 0.733 1.00 31.53 H new ATOM 967 N GLY B 208 -7.058 -18.076 -2.050 1.00 23.30 N ATOM 968 CA GLY B 208 -6.419 -19.257 -2.629 1.00 42.42 C ATOM 969 C GLY B 208 -4.895 -19.165 -2.706 1.00 52.32 C ATOM 970 O GLY B 208 -4.229 -20.141 -3.060 1.00 34.42 O ATOM 0 H GLY B 208 -7.146 -17.284 -2.687 1.00 23.30 H new ATOM 0 HA2 GLY B 208 -6.690 -20.131 -2.037 1.00 42.42 H new ATOM 0 HA3 GLY B 208 -6.814 -19.416 -3.632 1.00 42.42 H new ATOM 974 N GLY B 209 -4.335 -18.003 -2.383 1.00 32.04 N ATOM 975 CA GLY B 209 -2.887 -17.819 -2.460 1.00 15.04 C ATOM 976 C GLY B 209 -2.385 -17.597 -3.889 1.00 63.04 C ATOM 977 O GLY B 209 -1.776 -16.569 -4.190 1.00 65.44 O ATOM 0 H GLY B 209 -4.853 -17.183 -2.069 1.00 32.04 H new ATOM 0 HA2 GLY B 209 -2.602 -16.966 -1.844 1.00 15.04 H new ATOM 0 HA3 GLY B 209 -2.393 -18.695 -2.040 1.00 15.04 H new ATOM 981 N LEU B 210 -2.621 -18.575 -4.765 1.00 40.14 N ATOM 982 CA LEU B 210 -2.282 -18.442 -6.190 1.00 61.21 C ATOM 983 C LEU B 210 -3.221 -17.442 -6.887 1.00 61.51 C ATOM 984 O LEU B 210 -2.835 -16.760 -7.839 1.00 73.42 O ATOM 985 CB LEU B 210 -2.358 -19.808 -6.889 1.00 53.40 C ATOM 986 CG LEU B 210 -1.411 -20.886 -6.332 1.00 4.03 C ATOM 987 CD1 LEU B 210 -1.575 -22.199 -7.093 1.00 44.14 C ATOM 988 CD2 LEU B 210 0.040 -20.414 -6.385 1.00 60.21 C ATOM 0 H LEU B 210 -3.045 -19.469 -4.517 1.00 40.14 H new ATOM 0 HA LEU B 210 -1.262 -18.064 -6.260 1.00 61.21 H new ATOM 0 HB2 LEU B 210 -3.382 -20.176 -6.820 1.00 53.40 H new ATOM 0 HB3 LEU B 210 -2.140 -19.668 -7.948 1.00 53.40 H new ATOM 0 HG LEU B 210 -1.676 -21.060 -5.289 1.00 4.03 H new ATOM 0 HD11 LEU B 210 -0.896 -22.945 -6.681 1.00 44.14 H new ATOM 0 HD12 LEU B 210 -2.602 -22.550 -6.995 1.00 44.14 H new ATOM 0 HD13 LEU B 210 -1.344 -22.040 -8.146 1.00 44.14 H new ATOM 0 HD21 LEU B 210 0.691 -21.192 -5.986 1.00 60.21 H new ATOM 0 HD22 LEU B 210 0.317 -20.204 -7.418 1.00 60.21 H new ATOM 0 HD23 LEU B 210 0.150 -19.508 -5.789 1.00 60.21 H new ATOM 1000 N LYS B 211 -4.461 -17.379 -6.407 1.00 65.22 N ATOM 1001 CA LYS B 211 -5.449 -16.409 -6.893 1.00 62.05 C ATOM 1002 C LYS B 211 -6.412 -15.999 -5.765 1.00 52.44 C ATOM 1003 O LYS B 211 -7.091 -16.844 -5.176 1.00 62.04 O ATOM 1004 CB LYS B 211 -6.248 -16.979 -8.083 1.00 65.30 C ATOM 1005 CG LYS B 211 -6.963 -18.305 -7.790 1.00 0.24 C ATOM 1006 CD LYS B 211 -8.157 -18.535 -8.721 1.00 43.12 C ATOM 1007 CE LYS B 211 -7.748 -18.641 -10.186 1.00 52.51 C ATOM 1008 NZ LYS B 211 -7.029 -19.909 -10.485 1.00 20.02 N ATOM 0 H LYS B 211 -4.812 -17.995 -5.673 1.00 65.22 H new ATOM 0 HA LYS B 211 -4.906 -15.527 -7.231 1.00 62.05 H new ATOM 0 HB2 LYS B 211 -6.988 -16.242 -8.394 1.00 65.30 H new ATOM 0 HB3 LYS B 211 -5.570 -17.124 -8.924 1.00 65.30 H new ATOM 0 HG2 LYS B 211 -6.257 -19.128 -7.897 1.00 0.24 H new ATOM 0 HG3 LYS B 211 -7.305 -18.311 -6.755 1.00 0.24 H new ATOM 0 HD2 LYS B 211 -8.673 -19.448 -8.425 1.00 43.12 H new ATOM 0 HD3 LYS B 211 -8.867 -17.716 -8.604 1.00 43.12 H new ATOM 0 HE2 LYS B 211 -8.636 -18.574 -10.814 1.00 52.51 H new ATOM 0 HE3 LYS B 211 -7.110 -17.796 -10.444 1.00 52.51 H new ATOM 0 HZ1 LYS B 211 -6.772 -19.933 -11.493 1.00 20.02 H new ATOM 0 HZ2 LYS B 211 -6.166 -19.964 -9.907 1.00 20.02 H new ATOM 0 HZ3 LYS B 211 -7.645 -20.718 -10.265 1.00 20.02 H new ATOM 1022 N ASP B 212 -6.450 -14.706 -5.450 1.00 10.02 N ATOM 1023 CA ASP B 212 -7.384 -14.188 -4.444 1.00 35.42 C ATOM 1024 C ASP B 212 -7.466 -12.648 -4.443 1.00 50.13 C ATOM 1025 O ASP B 212 -8.547 -12.076 -4.593 1.00 64.41 O ATOM 1026 CB ASP B 212 -7.037 -14.724 -3.035 1.00 13.24 C ATOM 1027 CG ASP B 212 -5.557 -14.646 -2.656 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -4.772 -13.974 -3.357 1.00 21.31 O ATOM 1029 OD2 ASP B 212 -5.177 -15.273 -1.645 1.00 51.35 O ATOM 0 H ASP B 212 -5.849 -13.998 -5.873 1.00 10.02 H new ATOM 0 HA ASP B 212 -8.373 -14.554 -4.720 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -7.614 -14.165 -2.299 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -7.358 -15.764 -2.970 1.00 13.24 H new ATOM 1034 N THR B 213 -6.330 -11.984 -4.291 1.00 71.24 N ATOM 1035 CA THR B 213 -6.291 -10.520 -4.165 1.00 63.41 C ATOM 1036 C THR B 213 -6.201 -9.797 -5.518 1.00 72.13 C ATOM 1037 O THR B 213 -5.531 -10.257 -6.442 1.00 2.42 O ATOM 1038 CB THR B 213 -5.104 -10.075 -3.286 1.00 52.41 C ATOM 1039 OG1 THR B 213 -3.866 -10.594 -3.807 1.00 54.34 O ATOM 1040 CG2 THR B 213 -5.286 -10.545 -1.849 1.00 21.44 C ATOM 0 H THR B 213 -5.414 -12.431 -4.251 1.00 71.24 H new ATOM 0 HA THR B 213 -7.235 -10.241 -3.698 1.00 63.41 H new ATOM 0 HB THR B 213 -5.071 -8.986 -3.300 1.00 52.41 H new ATOM 0 HG1 THR B 213 -4.033 -11.042 -4.663 1.00 54.34 H new ATOM 0 HG21 THR B 213 -4.436 -10.219 -1.249 1.00 21.44 H new ATOM 0 HG22 THR B 213 -6.203 -10.120 -1.441 1.00 21.44 H new ATOM 0 HG23 THR B 213 -5.349 -11.633 -1.827 1.00 21.44 H new ATOM 1048 N LYS B 214 -6.871 -8.643 -5.608 1.00 14.15 N ATOM 1049 CA LYS B 214 -6.889 -7.819 -6.826 1.00 31.33 C ATOM 1050 C LYS B 214 -5.700 -6.840 -6.857 1.00 4.14 C ATOM 1051 O LYS B 214 -5.264 -6.352 -5.812 1.00 0.32 O ATOM 1052 CB LYS B 214 -8.202 -7.020 -6.890 1.00 55.04 C ATOM 1053 CG LYS B 214 -9.457 -7.858 -6.661 1.00 73.23 C ATOM 1054 CD LYS B 214 -9.672 -8.899 -7.755 1.00 12.20 C ATOM 1055 CE LYS B 214 -9.929 -8.255 -9.111 1.00 24.14 C ATOM 1056 NZ LYS B 214 -10.225 -9.270 -10.155 1.00 53.13 N ATOM 0 H LYS B 214 -7.417 -8.252 -4.840 1.00 14.15 H new ATOM 0 HA LYS B 214 -6.811 -8.485 -7.685 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -8.168 -6.226 -6.144 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -8.274 -6.538 -7.865 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -9.384 -8.360 -5.696 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -10.325 -7.201 -6.614 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -8.795 -9.544 -7.820 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -10.516 -9.535 -7.490 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -10.765 -7.561 -9.031 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -9.057 -7.671 -9.408 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -10.394 -8.794 -11.064 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -9.417 -9.918 -10.249 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -11.072 -9.810 -9.884 1.00 53.13 H new ATOM 1070 N PRO B 215 -5.164 -6.534 -8.059 1.00 11.30 N ATOM 1071 CA PRO B 215 -4.046 -5.584 -8.211 1.00 10.25 C ATOM 1072 C PRO B 215 -4.476 -4.107 -8.072 1.00 31.13 C ATOM 1073 O PRO B 215 -5.143 -3.550 -8.948 1.00 45.22 O ATOM 1074 CB PRO B 215 -3.539 -5.872 -9.629 1.00 62.13 C ATOM 1075 CG PRO B 215 -4.742 -6.355 -10.370 1.00 54.32 C ATOM 1076 CD PRO B 215 -5.591 -7.094 -9.362 1.00 44.43 C ATOM 0 HA PRO B 215 -3.295 -5.716 -7.432 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.123 -4.976 -10.090 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -2.750 -6.624 -9.622 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -5.292 -5.520 -10.805 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -4.455 -7.011 -11.192 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -6.654 -6.930 -9.538 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -5.422 -8.170 -9.409 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.103 -3.487 -6.954 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.369 -2.061 -6.713 1.00 61.32 C ATOM 1086 C VAL B 216 -3.062 -1.249 -6.690 1.00 75.33 C ATOM 1087 O VAL B 216 -2.259 -1.370 -5.763 1.00 54.23 O ATOM 1088 CB VAL B 216 -5.123 -1.846 -5.374 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.432 -0.364 -5.147 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.403 -2.684 -5.331 1.00 2.01 C ATOM 0 H VAL B 216 -3.611 -3.951 -6.191 1.00 2.22 H new ATOM 0 HA VAL B 216 -4.995 -1.712 -7.534 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.472 -2.178 -4.565 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -5.961 -0.243 -4.201 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.501 0.201 -5.117 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -6.055 0.007 -5.961 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -6.915 -2.517 -4.383 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -7.057 -2.392 -6.153 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -6.150 -3.740 -5.426 1.00 2.01 H new ATOM 1100 N VAL B 217 -2.844 -0.429 -7.717 1.00 15.32 N ATOM 1101 CA VAL B 217 -1.634 0.400 -7.797 1.00 21.33 C ATOM 1102 C VAL B 217 -1.718 1.627 -6.862 1.00 42.13 C ATOM 1103 O VAL B 217 -2.687 2.385 -6.889 1.00 43.51 O ATOM 1104 CB VAL B 217 -1.353 0.866 -9.255 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -2.521 1.680 -9.813 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -0.049 1.663 -9.327 1.00 4.52 C ATOM 0 H VAL B 217 -3.484 -0.318 -8.504 1.00 15.32 H new ATOM 0 HA VAL B 217 -0.806 -0.228 -7.468 1.00 21.33 H new ATOM 0 HB VAL B 217 -1.244 -0.024 -9.875 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -2.294 1.991 -10.833 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -3.424 1.069 -9.812 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -2.680 2.562 -9.192 1.00 71.52 H new ATOM 0 HG21 VAL B 217 0.128 1.979 -10.355 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -0.123 2.541 -8.685 1.00 4.52 H new ATOM 0 HG23 VAL B 217 0.779 1.038 -8.992 1.00 4.52 H new ATOM 1116 N VAL B 218 -0.693 1.807 -6.032 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.638 2.920 -5.075 1.00 54.25 C ATOM 1118 C VAL B 218 0.674 3.712 -5.220 1.00 15.42 C ATOM 1119 O VAL B 218 1.743 3.134 -5.408 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.763 2.407 -3.616 1.00 72.24 C ATOM 1121 CG1 VAL B 218 -0.715 3.564 -2.612 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -2.043 1.587 -3.441 1.00 2.55 C ATOM 0 H VAL B 218 0.120 1.192 -6.000 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.479 3.577 -5.298 1.00 54.25 H new ATOM 0 HB VAL B 218 0.091 1.760 -3.415 1.00 72.24 H new ATOM 0 HG11 VAL B 218 -0.805 3.171 -1.599 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.232 4.094 -2.713 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -1.538 4.251 -2.809 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -2.112 1.236 -2.411 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.908 2.209 -3.672 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -2.022 0.731 -4.115 1.00 2.55 H new ATOM 1132 N ARG B 219 0.586 5.036 -5.139 1.00 5.14 N ATOM 1133 CA ARG B 219 1.769 5.898 -5.240 1.00 52.05 C ATOM 1134 C ARG B 219 2.355 6.216 -3.849 1.00 4.22 C ATOM 1135 O ARG B 219 1.729 6.901 -3.042 1.00 55.10 O ATOM 1136 CB ARG B 219 1.403 7.197 -5.971 1.00 23.52 C ATOM 1137 CG ARG B 219 1.031 6.997 -7.440 1.00 60.45 C ATOM 1138 CD ARG B 219 0.623 8.307 -8.114 1.00 44.15 C ATOM 1139 NE ARG B 219 1.649 9.343 -7.986 1.00 12.01 N ATOM 1140 CZ ARG B 219 1.687 10.439 -8.701 1.00 22.00 C ATOM 1141 NH1 ARG B 219 0.796 10.668 -9.617 1.00 41.44 N ATOM 1142 NH2 ARG B 219 2.617 11.313 -8.492 1.00 73.25 N ATOM 0 H ARG B 219 -0.290 5.540 -5.004 1.00 5.14 H new ATOM 0 HA ARG B 219 2.532 5.365 -5.807 1.00 52.05 H new ATOM 0 HB2 ARG B 219 0.567 7.669 -5.456 1.00 23.52 H new ATOM 0 HB3 ARG B 219 2.245 7.886 -5.910 1.00 23.52 H new ATOM 0 HG2 ARG B 219 1.878 6.565 -7.972 1.00 60.45 H new ATOM 0 HG3 ARG B 219 0.211 6.282 -7.512 1.00 60.45 H new ATOM 0 HD2 ARG B 219 0.426 8.123 -9.170 1.00 44.15 H new ATOM 0 HD3 ARG B 219 -0.308 8.665 -7.674 1.00 44.15 H new ATOM 0 HE ARG B 219 2.384 9.201 -7.293 1.00 12.01 H new ATOM 0 HH11 ARG B 219 0.054 9.990 -9.787 1.00 41.44 H new ATOM 0 HH12 ARG B 219 0.838 11.526 -10.166 1.00 41.44 H new ATOM 0 HH21 ARG B 219 3.319 11.148 -7.771 1.00 73.25 H new ATOM 0 HH22 ARG B 219 2.648 12.167 -9.048 1.00 73.25 H new ATOM 1156 N LEU B 220 3.563 5.717 -3.581 1.00 24.45 N ATOM 1157 CA LEU B 220 4.221 5.911 -2.275 1.00 33.15 C ATOM 1158 C LEU B 220 5.536 6.704 -2.429 1.00 70.33 C ATOM 1159 O LEU B 220 6.100 6.774 -3.522 1.00 31.03 O ATOM 1160 CB LEU B 220 4.497 4.542 -1.625 1.00 53.33 C ATOM 1161 CG LEU B 220 4.970 4.583 -0.161 1.00 54.10 C ATOM 1162 CD1 LEU B 220 3.890 5.186 0.736 1.00 73.21 C ATOM 1163 CD2 LEU B 220 5.360 3.187 0.324 1.00 2.15 C ATOM 0 H LEU B 220 4.111 5.174 -4.248 1.00 24.45 H new ATOM 0 HA LEU B 220 3.555 6.488 -1.634 1.00 33.15 H new ATOM 0 HB2 LEU B 220 3.586 3.945 -1.677 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.252 4.024 -2.217 1.00 53.33 H new ATOM 0 HG LEU B 220 5.854 5.218 -0.106 1.00 54.10 H new ATOM 0 HD11 LEU B 220 4.243 5.206 1.767 1.00 73.21 H new ATOM 0 HD12 LEU B 220 3.670 6.202 0.408 1.00 73.21 H new ATOM 0 HD13 LEU B 220 2.986 4.581 0.674 1.00 73.21 H new ATOM 0 HD21 LEU B 220 5.691 3.241 1.361 1.00 2.15 H new ATOM 0 HD22 LEU B 220 4.499 2.523 0.252 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.169 2.800 -0.295 1.00 2.15 H new ATOM 1175 N TYR B 221 6.021 7.301 -1.338 1.00 41.14 N ATOM 1176 CA TYR B 221 7.241 8.120 -1.384 1.00 63.23 C ATOM 1177 C TYR B 221 8.514 7.264 -1.578 1.00 1.52 C ATOM 1178 O TYR B 221 8.654 6.192 -0.985 1.00 12.14 O ATOM 1179 CB TYR B 221 7.349 8.981 -0.117 1.00 31.43 C ATOM 1180 CG TYR B 221 6.331 10.108 -0.065 1.00 62.24 C ATOM 1181 CD1 TYR B 221 6.623 11.352 -0.617 1.00 42.33 C ATOM 1182 CD2 TYR B 221 5.083 9.932 0.523 1.00 2.55 C ATOM 1183 CE1 TYR B 221 5.704 12.383 -0.583 1.00 73.13 C ATOM 1184 CE2 TYR B 221 4.158 10.959 0.559 1.00 34.35 C ATOM 1185 CZ TYR B 221 4.475 12.182 0.006 1.00 72.11 C ATOM 1186 OH TYR B 221 3.556 13.206 0.034 1.00 12.14 O ATOM 0 H TYR B 221 5.592 7.235 -0.415 1.00 41.14 H new ATOM 0 HA TYR B 221 7.165 8.774 -2.253 1.00 63.23 H new ATOM 0 HB2 TYR B 221 7.220 8.344 0.758 1.00 31.43 H new ATOM 0 HB3 TYR B 221 8.352 9.404 -0.058 1.00 31.43 H new ATOM 0 HD1 TYR B 221 7.585 11.514 -1.080 1.00 42.33 H new ATOM 0 HD2 TYR B 221 4.832 8.976 0.959 1.00 2.55 H new ATOM 0 HE1 TYR B 221 5.948 13.342 -1.016 1.00 73.13 H new ATOM 0 HE2 TYR B 221 3.193 10.804 1.018 1.00 34.35 H new ATOM 0 HH TYR B 221 2.740 12.901 0.484 1.00 12.14 H new ATOM 1196 N PRO B 222 9.462 7.739 -2.426 1.00 22.33 N ATOM 1197 CA PRO B 222 10.706 7.002 -2.751 1.00 61.25 C ATOM 1198 C PRO B 222 11.526 6.586 -1.515 1.00 52.32 C ATOM 1199 O PRO B 222 12.047 5.466 -1.453 1.00 32.04 O ATOM 1200 CB PRO B 222 11.495 8.004 -3.609 1.00 22.23 C ATOM 1201 CG PRO B 222 10.455 8.892 -4.203 1.00 50.30 C ATOM 1202 CD PRO B 222 9.387 9.026 -3.149 1.00 64.22 C ATOM 0 HA PRO B 222 10.485 6.058 -3.249 1.00 61.25 H new ATOM 0 HB2 PRO B 222 12.203 8.572 -3.005 1.00 22.23 H new ATOM 0 HB3 PRO B 222 12.071 7.496 -4.382 1.00 22.23 H new ATOM 0 HG2 PRO B 222 10.872 9.864 -4.464 1.00 50.30 H new ATOM 0 HG3 PRO B 222 10.050 8.463 -5.119 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.578 9.871 -2.488 1.00 64.22 H new ATOM 0 HD3 PRO B 222 8.403 9.183 -3.591 1.00 64.22 H new ATOM 1210 N ASP B 223 11.636 7.485 -0.540 1.00 41.55 N ATOM 1211 CA ASP B 223 12.385 7.213 0.691 1.00 73.54 C ATOM 1212 C ASP B 223 11.757 6.050 1.482 1.00 33.04 C ATOM 1213 O ASP B 223 12.459 5.141 1.935 1.00 50.04 O ATOM 1214 CB ASP B 223 12.449 8.485 1.546 1.00 44.15 C ATOM 1215 CG ASP B 223 11.072 9.070 1.809 1.00 44.22 C ATOM 1216 OD1 ASP B 223 10.422 9.516 0.841 1.00 34.34 O ATOM 1217 OD2 ASP B 223 10.631 9.066 2.974 1.00 72.32 O ATOM 0 H ASP B 223 11.215 8.413 -0.576 1.00 41.55 H new ATOM 0 HA ASP B 223 13.398 6.913 0.424 1.00 73.54 H new ATOM 0 HB2 ASP B 223 12.933 8.258 2.496 1.00 44.15 H new ATOM 0 HB3 ASP B 223 13.067 9.228 1.043 1.00 44.15 H new ATOM 1222 N GLU B 224 10.431 6.078 1.631 1.00 34.43 N ATOM 1223 CA GLU B 224 9.701 4.977 2.269 1.00 51.14 C ATOM 1224 C GLU B 224 9.935 3.659 1.518 1.00 63.12 C ATOM 1225 O GLU B 224 10.217 2.622 2.122 1.00 74.24 O ATOM 1226 CB GLU B 224 8.195 5.279 2.305 1.00 3.14 C ATOM 1227 CG GLU B 224 7.826 6.546 3.064 1.00 0.34 C ATOM 1228 CD GLU B 224 6.323 6.726 3.185 1.00 43.32 C ATOM 1229 OE1 GLU B 224 5.711 7.288 2.251 1.00 41.13 O ATOM 1230 OE2 GLU B 224 5.755 6.289 4.211 1.00 71.34 O ATOM 0 H GLU B 224 9.840 6.849 1.320 1.00 34.43 H new ATOM 0 HA GLU B 224 10.075 4.877 3.288 1.00 51.14 H new ATOM 0 HB2 GLU B 224 7.829 5.363 1.282 1.00 3.14 H new ATOM 0 HB3 GLU B 224 7.678 4.434 2.760 1.00 3.14 H new ATOM 0 HG2 GLU B 224 8.267 6.512 4.060 1.00 0.34 H new ATOM 0 HG3 GLU B 224 8.254 7.410 2.555 1.00 0.34 H new ATOM 1237 N ILE B 225 9.823 3.716 0.192 1.00 41.11 N ATOM 1238 CA ILE B 225 10.044 2.544 -0.657 1.00 11.23 C ATOM 1239 C ILE B 225 11.478 2.003 -0.514 1.00 54.32 C ATOM 1240 O ILE B 225 11.700 0.793 -0.587 1.00 54.15 O ATOM 1241 CB ILE B 225 9.735 2.862 -2.143 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.255 3.260 -2.292 1.00 11.22 C ATOM 1243 CG2 ILE B 225 10.075 1.670 -3.043 1.00 3.35 C ATOM 1244 CD1 ILE B 225 7.837 3.564 -3.713 1.00 72.13 C ATOM 0 H ILE B 225 9.580 4.564 -0.320 1.00 41.11 H new ATOM 0 HA ILE B 225 9.356 1.769 -0.319 1.00 11.23 H new ATOM 0 HB ILE B 225 10.358 3.699 -2.459 1.00 41.51 H new ATOM 0 HG12 ILE B 225 7.632 2.453 -1.906 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.061 4.136 -1.673 1.00 11.22 H new ATOM 0 HG21 ILE B 225 9.849 1.920 -4.079 1.00 3.35 H new ATOM 0 HG22 ILE B 225 11.135 1.435 -2.950 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.483 0.806 -2.741 1.00 3.35 H new ATOM 0 HD11 ILE B 225 6.782 3.836 -3.732 1.00 72.13 H new ATOM 0 HD12 ILE B 225 8.432 4.392 -4.098 1.00 72.13 H new ATOM 0 HD13 ILE B 225 7.996 2.683 -4.335 1.00 72.13 H new ATOM 1256 N GLU B 226 12.447 2.890 -0.289 1.00 72.13 N ATOM 1257 CA GLU B 226 13.823 2.457 -0.019 1.00 64.05 C ATOM 1258 C GLU B 226 13.886 1.690 1.308 1.00 15.23 C ATOM 1259 O GLU B 226 14.375 0.558 1.366 1.00 1.24 O ATOM 1260 CB GLU B 226 14.786 3.652 0.024 1.00 22.23 C ATOM 1261 CG GLU B 226 16.243 3.247 0.258 1.00 33.24 C ATOM 1262 CD GLU B 226 17.187 4.434 0.378 1.00 10.41 C ATOM 1263 OE1 GLU B 226 17.733 4.879 -0.656 1.00 41.33 O ATOM 1264 OE2 GLU B 226 17.405 4.918 1.508 1.00 50.51 O ATOM 0 H GLU B 226 12.311 3.901 -0.287 1.00 72.13 H new ATOM 0 HA GLU B 226 14.132 1.800 -0.832 1.00 64.05 H new ATOM 0 HB2 GLU B 226 14.715 4.201 -0.915 1.00 22.23 H new ATOM 0 HB3 GLU B 226 14.474 4.333 0.816 1.00 22.23 H new ATOM 0 HG2 GLU B 226 16.305 2.649 1.167 1.00 33.24 H new ATOM 0 HG3 GLU B 226 16.572 2.612 -0.564 1.00 33.24 H new ATOM 1271 N ALA B 227 13.366 2.311 2.369 1.00 21.41 N ATOM 1272 CA ALA B 227 13.284 1.668 3.686 1.00 2.54 C ATOM 1273 C ALA B 227 12.414 0.398 3.642 1.00 75.35 C ATOM 1274 O ALA B 227 12.441 -0.422 4.559 1.00 63.52 O ATOM 1275 CB ALA B 227 12.737 2.651 4.719 1.00 74.33 C ATOM 0 H ALA B 227 12.994 3.260 2.343 1.00 21.41 H new ATOM 0 HA ALA B 227 14.291 1.369 3.976 1.00 2.54 H new ATOM 0 HB1 ALA B 227 12.681 2.163 5.692 1.00 74.33 H new ATOM 0 HB2 ALA B 227 13.398 3.515 4.784 1.00 74.33 H new ATOM 0 HB3 ALA B 227 11.741 2.978 4.419 1.00 74.33 H new ATOM 1281 N LEU B 228 11.631 0.254 2.577 1.00 35.53 N ATOM 1282 CA LEU B 228 10.828 -0.951 2.350 1.00 20.31 C ATOM 1283 C LEU B 228 11.675 -2.072 1.721 1.00 71.24 C ATOM 1284 O LEU B 228 11.975 -3.077 2.370 1.00 14.04 O ATOM 1285 CB LEU B 228 9.636 -0.618 1.440 1.00 1.02 C ATOM 1286 CG LEU B 228 8.728 -1.803 1.082 1.00 72.22 C ATOM 1287 CD1 LEU B 228 8.079 -2.383 2.333 1.00 72.45 C ATOM 1288 CD2 LEU B 228 7.667 -1.382 0.069 1.00 31.41 C ATOM 0 H LEU B 228 11.533 0.962 1.849 1.00 35.53 H new ATOM 0 HA LEU B 228 10.461 -1.305 3.314 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.031 0.147 1.928 1.00 1.02 H new ATOM 0 HB3 LEU B 228 10.017 -0.182 0.516 1.00 1.02 H new ATOM 0 HG LEU B 228 9.344 -2.579 0.628 1.00 72.22 H new ATOM 0 HD11 LEU B 228 7.440 -3.221 2.056 1.00 72.45 H new ATOM 0 HD12 LEU B 228 8.853 -2.728 3.018 1.00 72.45 H new ATOM 0 HD13 LEU B 228 7.479 -1.615 2.821 1.00 72.45 H new ATOM 0 HD21 LEU B 228 7.034 -2.236 -0.171 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.056 -0.585 0.492 1.00 31.41 H new ATOM 0 HD23 LEU B 228 8.153 -1.024 -0.839 1.00 31.41 H new ATOM 1300 N LYS B 229 12.079 -1.879 0.462 1.00 71.42 N ATOM 1301 CA LYS B 229 12.841 -2.892 -0.287 1.00 61.24 C ATOM 1302 C LYS B 229 14.148 -3.287 0.427 1.00 72.34 C ATOM 1303 O LYS B 229 14.670 -4.384 0.226 1.00 35.15 O ATOM 1304 CB LYS B 229 13.141 -2.383 -1.709 1.00 40.11 C ATOM 1305 CG LYS B 229 13.965 -1.094 -1.753 1.00 20.22 C ATOM 1306 CD LYS B 229 14.122 -0.561 -3.178 1.00 1.11 C ATOM 1307 CE LYS B 229 14.948 0.726 -3.217 1.00 25.04 C ATOM 1308 NZ LYS B 229 15.077 1.270 -4.595 1.00 3.21 N ATOM 0 H LYS B 229 11.891 -1.026 -0.066 1.00 71.42 H new ATOM 0 HA LYS B 229 12.223 -3.788 -0.344 1.00 61.24 H new ATOM 0 HB2 LYS B 229 13.674 -3.161 -2.256 1.00 40.11 H new ATOM 0 HB3 LYS B 229 12.198 -2.216 -2.230 1.00 40.11 H new ATOM 0 HG2 LYS B 229 13.485 -0.336 -1.134 1.00 20.22 H new ATOM 0 HG3 LYS B 229 14.950 -1.279 -1.325 1.00 20.22 H new ATOM 0 HD2 LYS B 229 14.601 -1.319 -3.798 1.00 1.11 H new ATOM 0 HD3 LYS B 229 13.137 -0.374 -3.606 1.00 1.11 H new ATOM 0 HE2 LYS B 229 14.482 1.474 -2.575 1.00 25.04 H new ATOM 0 HE3 LYS B 229 15.941 0.531 -2.811 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 15.644 2.141 -4.573 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 15.545 0.568 -5.203 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 14.132 1.482 -4.975 1.00 3.21 H new ATOM 1322 N SER B 230 14.662 -2.390 1.268 1.00 22.24 N ATOM 1323 CA SER B 230 15.904 -2.640 2.022 1.00 14.23 C ATOM 1324 C SER B 230 15.739 -3.740 3.091 1.00 63.21 C ATOM 1325 O SER B 230 16.717 -4.373 3.496 1.00 13.12 O ATOM 1326 CB SER B 230 16.383 -1.346 2.696 1.00 43.22 C ATOM 1327 OG SER B 230 17.533 -1.573 3.498 1.00 31.32 O ATOM 0 H SER B 230 14.241 -1.479 1.449 1.00 22.24 H new ATOM 0 HA SER B 230 16.644 -2.987 1.301 1.00 14.23 H new ATOM 0 HB2 SER B 230 16.610 -0.600 1.934 1.00 43.22 H new ATOM 0 HB3 SER B 230 15.582 -0.938 3.313 1.00 43.22 H new ATOM 0 HG SER B 230 17.814 -0.731 3.912 1.00 31.32 H new ATOM 1333 N ARG B 231 14.506 -3.973 3.544 1.00 31.33 N ATOM 1334 CA ARG B 231 14.253 -4.930 4.637 1.00 71.32 C ATOM 1335 C ARG B 231 13.167 -5.964 4.290 1.00 21.25 C ATOM 1336 O ARG B 231 12.630 -6.625 5.180 1.00 21.13 O ATOM 1337 CB ARG B 231 13.855 -4.167 5.911 1.00 52.20 C ATOM 1338 CG ARG B 231 12.639 -3.267 5.726 1.00 52.31 C ATOM 1339 CD ARG B 231 12.259 -2.544 7.013 1.00 53.32 C ATOM 1340 NE ARG B 231 11.193 -1.569 6.783 1.00 12.34 N ATOM 1341 CZ ARG B 231 10.161 -1.400 7.564 1.00 3.24 C ATOM 1342 NH1 ARG B 231 10.031 -2.092 8.653 1.00 50.11 N ATOM 1343 NH2 ARG B 231 9.262 -0.518 7.264 1.00 25.51 N ATOM 0 H ARG B 231 13.669 -3.519 3.178 1.00 31.33 H new ATOM 0 HA ARG B 231 15.179 -5.483 4.798 1.00 71.32 H new ATOM 0 HB2 ARG B 231 13.649 -4.885 6.705 1.00 52.20 H new ATOM 0 HB3 ARG B 231 14.699 -3.561 6.241 1.00 52.20 H new ATOM 0 HG2 ARG B 231 12.847 -2.534 4.947 1.00 52.31 H new ATOM 0 HG3 ARG B 231 11.794 -3.865 5.384 1.00 52.31 H new ATOM 0 HD2 ARG B 231 11.935 -3.271 7.758 1.00 53.32 H new ATOM 0 HD3 ARG B 231 13.135 -2.039 7.420 1.00 53.32 H new ATOM 0 HE ARG B 231 11.261 -0.979 5.953 1.00 12.34 H new ATOM 0 HH11 ARG B 231 10.740 -2.779 8.909 1.00 50.11 H new ATOM 0 HH12 ARG B 231 9.219 -1.949 9.254 1.00 50.11 H new ATOM 0 HH21 ARG B 231 9.361 0.044 6.418 1.00 25.51 H new ATOM 0 HH22 ARG B 231 8.455 -0.385 7.873 1.00 25.51 H new ATOM 1357 N VAL B 232 12.844 -6.112 3.007 1.00 23.35 N ATOM 1358 CA VAL B 232 11.870 -7.126 2.582 1.00 24.34 C ATOM 1359 C VAL B 232 12.468 -8.543 2.665 1.00 34.41 C ATOM 1360 O VAL B 232 13.608 -8.773 2.246 1.00 51.15 O ATOM 1361 CB VAL B 232 11.349 -6.873 1.140 1.00 24.32 C ATOM 1362 CG1 VAL B 232 10.525 -5.588 1.075 1.00 41.11 C ATOM 1363 CG2 VAL B 232 12.504 -6.828 0.136 1.00 21.55 C ATOM 0 H VAL B 232 13.234 -5.552 2.249 1.00 23.35 H new ATOM 0 HA VAL B 232 11.028 -7.047 3.270 1.00 24.34 H new ATOM 0 HB VAL B 232 10.701 -7.706 0.870 1.00 24.32 H new ATOM 0 HG11 VAL B 232 10.172 -5.433 0.055 1.00 41.11 H new ATOM 0 HG12 VAL B 232 9.670 -5.669 1.747 1.00 41.11 H new ATOM 0 HG13 VAL B 232 11.144 -4.743 1.377 1.00 41.11 H new ATOM 0 HG21 VAL B 232 12.110 -6.650 -0.864 1.00 21.55 H new ATOM 0 HG22 VAL B 232 13.189 -6.024 0.405 1.00 21.55 H new ATOM 0 HG23 VAL B 232 13.037 -7.779 0.152 1.00 21.55 H new ATOM 1373 N PRO B 233 11.723 -9.510 3.231 1.00 23.43 N ATOM 1374 CA PRO B 233 12.185 -10.902 3.328 1.00 52.13 C ATOM 1375 C PRO B 233 12.166 -11.624 1.970 1.00 23.50 C ATOM 1376 O PRO B 233 11.186 -11.543 1.225 1.00 30.43 O ATOM 1377 CB PRO B 233 11.176 -11.537 4.297 1.00 1.42 C ATOM 1378 CG PRO B 233 9.932 -10.733 4.124 1.00 55.24 C ATOM 1379 CD PRO B 233 10.385 -9.324 3.830 1.00 42.44 C ATOM 0 HA PRO B 233 13.220 -10.970 3.663 1.00 52.13 H new ATOM 0 HB2 PRO B 233 11.006 -12.587 4.060 1.00 1.42 H new ATOM 0 HB3 PRO B 233 11.535 -11.496 5.326 1.00 1.42 H new ATOM 0 HG2 PRO B 233 9.324 -11.125 3.309 1.00 55.24 H new ATOM 0 HG3 PRO B 233 9.318 -10.766 5.024 1.00 55.24 H new ATOM 0 HD2 PRO B 233 9.705 -8.819 3.144 1.00 42.44 H new ATOM 0 HD3 PRO B 233 10.431 -8.720 4.736 1.00 42.44 H new ATOM 1387 N ALA B 234 13.245 -12.342 1.660 1.00 75.23 N ATOM 1388 CA ALA B 234 13.345 -13.087 0.399 1.00 52.20 C ATOM 1389 C ALA B 234 12.185 -14.086 0.242 1.00 43.31 C ATOM 1390 O ALA B 234 11.761 -14.394 -0.874 1.00 72.12 O ATOM 1391 CB ALA B 234 14.686 -13.808 0.321 1.00 71.25 C ATOM 0 H ALA B 234 14.064 -12.425 2.263 1.00 75.23 H new ATOM 0 HA ALA B 234 13.278 -12.373 -0.421 1.00 52.20 H new ATOM 0 HB1 ALA B 234 14.750 -14.357 -0.618 1.00 71.25 H new ATOM 0 HB2 ALA B 234 15.495 -13.079 0.370 1.00 71.25 H new ATOM 0 HB3 ALA B 234 14.774 -14.504 1.155 1.00 71.25 H new ATOM 1397 N ASN B 235 11.671 -14.573 1.373 1.00 54.11 N ATOM 1398 CA ASN B 235 10.527 -15.496 1.387 1.00 50.53 C ATOM 1399 C ASN B 235 9.262 -14.856 0.791 1.00 34.22 C ATOM 1400 O ASN B 235 8.551 -15.480 0.001 1.00 14.32 O ATOM 1401 CB ASN B 235 10.233 -15.947 2.823 1.00 34.05 C ATOM 1402 CG ASN B 235 11.390 -16.701 3.453 1.00 55.34 C ATOM 1403 OD1 ASN B 235 12.132 -17.409 2.777 1.00 5.20 O ATOM 1404 ND2 ASN B 235 11.559 -16.552 4.750 1.00 44.31 N ATOM 0 H ASN B 235 12.030 -14.343 2.300 1.00 54.11 H new ATOM 0 HA ASN B 235 10.797 -16.353 0.770 1.00 50.53 H new ATOM 0 HB2 ASN B 235 10.000 -15.074 3.432 1.00 34.05 H new ATOM 0 HB3 ASN B 235 9.347 -16.583 2.825 1.00 34.05 H new ATOM 0 HD21 ASN B 235 12.325 -17.032 5.223 1.00 44.31 H new ATOM 0 HD22 ASN B 235 10.924 -15.956 5.282 1.00 44.31 H new ATOM 1411 N THR B 236 8.991 -13.610 1.172 1.00 23.20 N ATOM 1412 CA THR B 236 7.758 -12.923 0.767 1.00 72.14 C ATOM 1413 C THR B 236 8.051 -11.751 -0.180 1.00 51.42 C ATOM 1414 O THR B 236 8.676 -10.766 0.214 1.00 2.34 O ATOM 1415 CB THR B 236 6.981 -12.399 2.006 1.00 31.52 C ATOM 1416 OG1 THR B 236 6.691 -13.483 2.908 1.00 30.03 O ATOM 1417 CG2 THR B 236 5.677 -11.719 1.599 1.00 1.11 C ATOM 0 H THR B 236 9.607 -13.051 1.762 1.00 23.20 H new ATOM 0 HA THR B 236 7.145 -13.654 0.240 1.00 72.14 H new ATOM 0 HB THR B 236 7.614 -11.665 2.505 1.00 31.52 H new ATOM 0 HG1 THR B 236 6.203 -13.140 3.685 1.00 30.03 H new ATOM 0 HG21 THR B 236 5.158 -11.364 2.490 1.00 1.11 H new ATOM 0 HG22 THR B 236 5.896 -10.874 0.946 1.00 1.11 H new ATOM 0 HG23 THR B 236 5.044 -12.432 1.071 1.00 1.11 H new ATOM 1425 N SER B 237 7.599 -11.869 -1.432 1.00 62.04 N ATOM 1426 CA SER B 237 7.790 -10.813 -2.445 1.00 65.24 C ATOM 1427 C SER B 237 7.235 -9.459 -1.967 1.00 52.32 C ATOM 1428 O SER B 237 6.309 -9.410 -1.160 1.00 33.33 O ATOM 1429 CB SER B 237 7.112 -11.209 -3.765 1.00 61.43 C ATOM 1430 OG SER B 237 7.681 -12.393 -4.310 1.00 42.03 O ATOM 0 H SER B 237 7.095 -12.687 -1.775 1.00 62.04 H new ATOM 0 HA SER B 237 8.863 -10.705 -2.603 1.00 65.24 H new ATOM 0 HB2 SER B 237 6.046 -11.361 -3.596 1.00 61.43 H new ATOM 0 HB3 SER B 237 7.208 -10.394 -4.483 1.00 61.43 H new ATOM 0 HG SER B 237 7.226 -12.619 -5.148 1.00 42.03 H new ATOM 1436 N MET B 238 7.787 -8.369 -2.498 1.00 24.02 N ATOM 1437 CA MET B 238 7.433 -7.007 -2.056 1.00 42.44 C ATOM 1438 C MET B 238 5.912 -6.747 -2.087 1.00 43.24 C ATOM 1439 O MET B 238 5.327 -6.313 -1.088 1.00 21.12 O ATOM 1440 CB MET B 238 8.163 -5.970 -2.921 1.00 43.14 C ATOM 1441 CG MET B 238 9.684 -6.055 -2.825 1.00 55.33 C ATOM 1442 SD MET B 238 10.519 -4.840 -3.866 1.00 2.23 S ATOM 1443 CE MET B 238 9.972 -5.352 -5.495 1.00 51.00 C ATOM 0 H MET B 238 8.486 -8.396 -3.240 1.00 24.02 H new ATOM 0 HA MET B 238 7.750 -6.914 -1.017 1.00 42.44 H new ATOM 0 HB2 MET B 238 7.865 -6.103 -3.961 1.00 43.14 H new ATOM 0 HB3 MET B 238 7.844 -4.971 -2.623 1.00 43.14 H new ATOM 0 HG2 MET B 238 9.987 -5.908 -1.788 1.00 55.33 H new ATOM 0 HG3 MET B 238 10.006 -7.056 -3.112 1.00 55.33 H new ATOM 0 HE1 MET B 238 10.661 -4.969 -6.247 1.00 51.00 H new ATOM 0 HE2 MET B 238 9.949 -6.441 -5.545 1.00 51.00 H new ATOM 0 HE3 MET B 238 8.973 -4.958 -5.684 1.00 51.00 H new ATOM 1453 N SER B 239 5.270 -7.018 -3.226 1.00 14.12 N ATOM 1454 CA SER B 239 3.815 -6.819 -3.361 1.00 12.43 C ATOM 1455 C SER B 239 3.029 -7.685 -2.362 1.00 72.44 C ATOM 1456 O SER B 239 1.913 -7.342 -1.971 1.00 0.42 O ATOM 1457 CB SER B 239 3.349 -7.129 -4.792 1.00 23.25 C ATOM 1458 OG SER B 239 3.922 -6.230 -5.734 1.00 11.13 O ATOM 0 H SER B 239 5.726 -7.374 -4.066 1.00 14.12 H new ATOM 0 HA SER B 239 3.614 -5.771 -3.139 1.00 12.43 H new ATOM 0 HB2 SER B 239 3.622 -8.152 -5.051 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.262 -7.067 -4.843 1.00 23.25 H new ATOM 0 HG SER B 239 3.453 -5.370 -5.693 1.00 11.13 H new ATOM 1464 N ALA B 240 3.618 -8.808 -1.953 1.00 42.33 N ATOM 1465 CA ALA B 240 2.993 -9.697 -0.966 1.00 65.15 C ATOM 1466 C ALA B 240 3.282 -9.228 0.472 1.00 14.24 C ATOM 1467 O ALA B 240 2.457 -9.393 1.372 1.00 1.34 O ATOM 1468 CB ALA B 240 3.473 -11.130 -1.175 1.00 3.21 C ATOM 0 H ALA B 240 4.527 -9.127 -2.288 1.00 42.33 H new ATOM 0 HA ALA B 240 1.913 -9.663 -1.111 1.00 65.15 H new ATOM 0 HB1 ALA B 240 3.004 -11.782 -0.438 1.00 3.21 H new ATOM 0 HB2 ALA B 240 3.203 -11.462 -2.177 1.00 3.21 H new ATOM 0 HB3 ALA B 240 4.556 -11.172 -1.059 1.00 3.21 H new ATOM 1474 N TYR B 241 4.456 -8.628 0.673 1.00 33.21 N ATOM 1475 CA TYR B 241 4.842 -8.087 1.980 1.00 53.23 C ATOM 1476 C TYR B 241 3.920 -6.926 2.379 1.00 42.11 C ATOM 1477 O TYR B 241 3.498 -6.820 3.530 1.00 53.24 O ATOM 1478 CB TYR B 241 6.306 -7.622 1.950 1.00 53.44 C ATOM 1479 CG TYR B 241 6.788 -7.021 3.263 1.00 64.23 C ATOM 1480 CD1 TYR B 241 7.034 -7.825 4.372 1.00 15.41 C ATOM 1481 CD2 TYR B 241 6.993 -5.650 3.391 1.00 34.20 C ATOM 1482 CE1 TYR B 241 7.465 -7.280 5.567 1.00 34.41 C ATOM 1483 CE2 TYR B 241 7.424 -5.102 4.583 1.00 62.22 C ATOM 1484 CZ TYR B 241 7.660 -5.919 5.667 1.00 14.52 C ATOM 1485 OH TYR B 241 8.087 -5.374 6.855 1.00 3.43 O ATOM 0 H TYR B 241 5.160 -8.503 -0.055 1.00 33.21 H new ATOM 0 HA TYR B 241 4.740 -8.876 2.725 1.00 53.23 H new ATOM 0 HB2 TYR B 241 6.941 -8.470 1.695 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.426 -6.883 1.157 1.00 53.44 H new ATOM 0 HD1 TYR B 241 6.886 -8.892 4.298 1.00 15.41 H new ATOM 0 HD2 TYR B 241 6.812 -5.004 2.544 1.00 34.20 H new ATOM 0 HE1 TYR B 241 7.648 -7.918 6.419 1.00 34.41 H new ATOM 0 HE2 TYR B 241 7.576 -4.036 4.665 1.00 62.22 H new ATOM 0 HH TYR B 241 8.176 -4.403 6.756 1.00 3.43 H new ATOM 1495 N ILE B 242 3.611 -6.054 1.423 1.00 13.54 N ATOM 1496 CA ILE B 242 2.640 -4.980 1.652 1.00 20.43 C ATOM 1497 C ILE B 242 1.218 -5.553 1.783 1.00 33.35 C ATOM 1498 O ILE B 242 0.394 -5.033 2.541 1.00 53.14 O ATOM 1499 CB ILE B 242 2.676 -3.928 0.511 1.00 32.44 C ATOM 1500 CG1 ILE B 242 4.075 -3.295 0.411 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.616 -2.844 0.728 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.499 -2.537 1.656 1.00 53.02 C ATOM 0 H ILE B 242 4.015 -6.067 0.486 1.00 13.54 H new ATOM 0 HA ILE B 242 2.916 -4.486 2.584 1.00 20.43 H new ATOM 0 HB ILE B 242 2.452 -4.438 -0.426 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.804 -4.080 0.210 1.00 0.13 H new ATOM 0 HG13 ILE B 242 4.095 -2.615 -0.441 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.664 -2.120 -0.086 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.627 -3.301 0.749 1.00 4.05 H new ATOM 0 HG23 ILE B 242 1.802 -2.338 1.675 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.495 -2.121 1.507 1.00 53.02 H new ATOM 0 HD12 ILE B 242 3.793 -1.729 1.848 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.513 -3.216 2.508 1.00 53.02 H new ATOM 1514 N ARG B 243 0.947 -6.640 1.054 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.370 -7.286 1.074 1.00 32.22 C ATOM 1516 C ARG B 243 -0.772 -7.715 2.497 1.00 23.40 C ATOM 1517 O ARG B 243 -1.873 -7.412 2.959 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.384 -8.497 0.125 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.775 -9.085 -0.094 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.806 -10.100 -1.236 1.00 73.12 C ATOM 1521 NE ARG B 243 -1.342 -11.429 -0.839 1.00 30.31 N ATOM 1522 CZ ARG B 243 -1.863 -12.547 -1.286 1.00 63.52 C ATOM 1523 NH1 ARG B 243 -2.816 -12.525 -2.166 1.00 12.30 N ATOM 1524 NH2 ARG B 243 -1.416 -13.682 -0.864 1.00 61.30 N ATOM 0 H ARG B 243 1.625 -7.093 0.440 1.00 74.40 H new ATOM 0 HA ARG B 243 -1.103 -6.556 0.731 1.00 32.22 H new ATOM 0 HB2 ARG B 243 0.031 -8.198 -0.838 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.269 -9.271 0.527 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -2.112 -9.565 0.825 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -2.477 -8.279 -0.309 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -2.824 -10.177 -1.618 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -1.186 -9.735 -2.055 1.00 73.12 H new ATOM 0 HE ARG B 243 -0.569 -11.490 -0.176 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -3.166 -11.633 -2.516 1.00 12.30 H new ATOM 0 HH12 ARG B 243 -3.215 -13.399 -2.508 1.00 12.30 H new ATOM 0 HH21 ARG B 243 -0.657 -13.710 -0.183 1.00 61.30 H new ATOM 0 HH22 ARG B 243 -1.821 -14.551 -1.212 1.00 61.30 H new ATOM 1538 N ARG B 244 0.127 -8.418 3.192 1.00 41.44 N ATOM 1539 CA ARG B 244 -0.126 -8.824 4.583 1.00 45.34 C ATOM 1540 C ARG B 244 -0.292 -7.605 5.512 1.00 15.00 C ATOM 1541 O ARG B 244 -1.101 -7.629 6.440 1.00 31.30 O ATOM 1542 CB ARG B 244 0.999 -9.738 5.107 1.00 60.34 C ATOM 1543 CG ARG B 244 2.405 -9.184 4.897 1.00 22.41 C ATOM 1544 CD ARG B 244 3.455 -9.951 5.699 1.00 73.40 C ATOM 1545 NE ARG B 244 3.304 -9.739 7.141 1.00 72.41 N ATOM 1546 CZ ARG B 244 4.265 -9.334 7.933 1.00 4.12 C ATOM 1547 NH1 ARG B 244 5.465 -9.160 7.482 1.00 73.21 N ATOM 1548 NH2 ARG B 244 4.025 -9.132 9.185 1.00 5.11 N ATOM 0 H ARG B 244 1.029 -8.717 2.821 1.00 41.44 H new ATOM 0 HA ARG B 244 -1.062 -9.382 4.587 1.00 45.34 H new ATOM 0 HB2 ARG B 244 0.844 -9.911 6.172 1.00 60.34 H new ATOM 0 HB3 ARG B 244 0.925 -10.706 4.612 1.00 60.34 H new ATOM 0 HG2 ARG B 244 2.656 -9.228 3.837 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.426 -8.133 5.186 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.374 -11.015 5.478 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.451 -9.636 5.388 1.00 73.40 H new ATOM 0 HE ARG B 244 2.390 -9.919 7.555 1.00 72.41 H new ATOM 0 HH11 ARG B 244 5.671 -9.339 6.499 1.00 73.21 H new ATOM 0 HH12 ARG B 244 6.205 -8.844 8.109 1.00 73.21 H new ATOM 0 HH21 ARG B 244 3.088 -9.288 9.556 1.00 5.11 H new ATOM 0 HH22 ARG B 244 4.773 -8.817 9.803 1.00 5.11 H new ATOM 1562 N ILE B 245 0.470 -6.538 5.254 1.00 0.14 N ATOM 1563 CA ILE B 245 0.388 -5.316 6.067 1.00 25.11 C ATOM 1564 C ILE B 245 -1.006 -4.673 5.984 1.00 43.32 C ATOM 1565 O ILE B 245 -1.666 -4.467 7.006 1.00 0.43 O ATOM 1566 CB ILE B 245 1.462 -4.275 5.648 1.00 74.05 C ATOM 1567 CG1 ILE B 245 2.873 -4.840 5.895 1.00 22.04 C ATOM 1568 CG2 ILE B 245 1.265 -2.954 6.401 1.00 40.04 C ATOM 1569 CD1 ILE B 245 3.989 -3.906 5.476 1.00 62.44 C ATOM 0 H ILE B 245 1.148 -6.493 4.493 1.00 0.14 H new ATOM 0 HA ILE B 245 0.575 -5.618 7.097 1.00 25.11 H new ATOM 0 HB ILE B 245 1.351 -4.072 4.583 1.00 74.05 H new ATOM 0 HG12 ILE B 245 2.982 -5.068 6.955 1.00 22.04 H new ATOM 0 HG13 ILE B 245 2.977 -5.781 5.354 1.00 22.04 H new ATOM 0 HG21 ILE B 245 2.029 -2.241 6.091 1.00 40.04 H new ATOM 0 HG22 ILE B 245 0.278 -2.550 6.175 1.00 40.04 H new ATOM 0 HG23 ILE B 245 1.348 -3.131 7.473 1.00 40.04 H new ATOM 0 HD11 ILE B 245 4.952 -4.374 5.681 1.00 62.44 H new ATOM 0 HD12 ILE B 245 3.907 -3.697 4.409 1.00 62.44 H new ATOM 0 HD13 ILE B 245 3.912 -2.974 6.035 1.00 62.44 H new ATOM 1581 N ILE B 246 -1.454 -4.361 4.765 1.00 22.22 N ATOM 1582 CA ILE B 246 -2.777 -3.760 4.564 1.00 42.51 C ATOM 1583 C ILE B 246 -3.896 -4.709 5.020 1.00 41.42 C ATOM 1584 O ILE B 246 -4.889 -4.271 5.598 1.00 53.40 O ATOM 1585 CB ILE B 246 -3.016 -3.348 3.087 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -2.991 -4.576 2.159 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -1.976 -2.313 2.650 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.374 -4.266 0.728 1.00 35.23 C ATOM 0 H ILE B 246 -0.924 -4.513 3.907 1.00 22.22 H new ATOM 0 HA ILE B 246 -2.800 -2.859 5.177 1.00 42.51 H new ATOM 0 HB ILE B 246 -4.006 -2.897 3.013 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -1.991 -5.010 2.172 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.671 -5.331 2.552 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -2.155 -2.033 1.612 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -2.054 -1.429 3.283 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -0.977 -2.739 2.743 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -3.334 -5.179 0.134 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.386 -3.861 0.702 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -2.679 -3.534 0.316 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.718 -6.008 4.775 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.675 -7.026 5.228 1.00 44.40 C ATOM 1602 C LEU B 247 -4.929 -6.906 6.741 1.00 61.12 C ATOM 1603 O LEU B 247 -6.074 -6.902 7.196 1.00 10.11 O ATOM 1604 CB LEU B 247 -4.147 -8.431 4.897 1.00 44.24 C ATOM 1605 CG LEU B 247 -5.066 -9.600 5.298 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -6.396 -9.523 4.553 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -4.380 -10.945 5.045 1.00 10.44 C ATOM 0 H LEU B 247 -2.919 -6.383 4.264 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.618 -6.863 4.706 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.965 -8.487 3.824 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -3.184 -8.563 5.391 1.00 44.24 H new ATOM 0 HG LEU B 247 -5.269 -9.519 6.366 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -7.029 -10.358 4.852 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.895 -8.585 4.795 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -6.215 -9.571 3.479 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -5.049 -11.755 5.336 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -4.138 -11.037 3.986 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -3.464 -11.002 5.633 1.00 10.44 H new ATOM 1619 N ASN B 248 -3.848 -6.783 7.514 1.00 75.21 N ATOM 1620 CA ASN B 248 -3.947 -6.615 8.968 1.00 2.53 C ATOM 1621 C ASN B 248 -4.598 -5.274 9.344 1.00 62.04 C ATOM 1622 O ASN B 248 -5.003 -5.072 10.490 1.00 4.44 O ATOM 1623 CB ASN B 248 -2.561 -6.719 9.612 1.00 45.02 C ATOM 1624 CG ASN B 248 -1.926 -8.081 9.410 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -2.610 -9.094 9.297 1.00 31.13 O ATOM 1626 ND2 ASN B 248 -0.610 -8.121 9.372 1.00 23.00 N ATOM 0 H ASN B 248 -2.892 -6.796 7.158 1.00 75.21 H new ATOM 0 HA ASN B 248 -4.583 -7.415 9.346 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -1.910 -5.953 9.191 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -2.644 -6.515 10.680 1.00 45.02 H new ATOM 0 HD21 ASN B 248 -0.130 -9.012 9.246 1.00 23.00 H new ATOM 0 HD22 ASN B 248 -0.071 -7.261 9.469 1.00 23.00 H new ATOM 1633 N HIS B 249 -4.690 -4.355 8.383 1.00 61.40 N ATOM 1634 CA HIS B 249 -5.337 -3.061 8.623 1.00 62.23 C ATOM 1635 C HIS B 249 -6.810 -3.074 8.169 1.00 25.42 C ATOM 1636 O HIS B 249 -7.599 -2.233 8.591 1.00 54.04 O ATOM 1637 CB HIS B 249 -4.571 -1.930 7.925 1.00 12.14 C ATOM 1638 CG HIS B 249 -4.951 -0.561 8.418 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -4.328 0.053 9.480 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -5.904 0.308 7.998 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -4.877 1.231 9.693 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -5.835 1.414 8.809 1.00 44.40 N ATOM 0 H HIS B 249 -4.328 -4.479 7.437 1.00 61.40 H new ATOM 0 HA HIS B 249 -5.319 -2.880 9.698 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -3.502 -2.079 8.075 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -4.753 -1.986 6.852 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -6.590 0.158 7.178 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -4.589 1.930 10.464 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -6.428 2.241 8.738 1.00 44.40 H new ATOM 1651 N LEU B 250 -7.176 -4.016 7.295 1.00 24.22 N ATOM 1652 CA LEU B 250 -8.590 -4.218 6.938 1.00 41.50 C ATOM 1653 C LEU B 250 -9.376 -4.761 8.140 1.00 12.31 C ATOM 1654 O LEU B 250 -10.573 -4.508 8.287 1.00 74.44 O ATOM 1655 CB LEU B 250 -8.727 -5.162 5.728 1.00 14.45 C ATOM 1656 CG LEU B 250 -8.721 -4.476 4.348 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -9.932 -3.556 4.197 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -7.424 -3.699 4.123 1.00 64.35 C ATOM 0 H LEU B 250 -6.525 -4.645 6.825 1.00 24.22 H new ATOM 0 HA LEU B 250 -9.009 -3.251 6.658 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -7.912 -5.885 5.759 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -9.655 -5.724 5.831 1.00 14.45 H new ATOM 0 HG LEU B 250 -8.782 -5.255 3.588 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -9.908 -3.082 3.216 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -10.847 -4.140 4.296 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -9.905 -2.789 4.971 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -7.449 -3.226 3.141 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -7.320 -2.934 4.892 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -6.577 -4.383 4.175 1.00 64.35 H new ATOM 1670 N GLU B 251 -8.681 -5.501 8.999 1.00 34.42 N ATOM 1671 CA GLU B 251 -9.232 -5.952 10.286 1.00 23.54 C ATOM 1672 C GLU B 251 -8.910 -4.932 11.399 1.00 21.14 C ATOM 1673 O GLU B 251 -8.886 -5.260 12.588 1.00 11.23 O ATOM 1674 CB GLU B 251 -8.655 -7.334 10.639 1.00 75.50 C ATOM 1675 CG GLU B 251 -7.132 -7.369 10.672 1.00 54.31 C ATOM 1676 CD GLU B 251 -6.571 -8.752 10.958 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -6.360 -9.527 10.001 1.00 25.24 O ATOM 1678 OE2 GLU B 251 -6.332 -9.072 12.142 1.00 35.31 O ATOM 0 H GLU B 251 -7.723 -5.807 8.829 1.00 34.42 H new ATOM 0 HA GLU B 251 -10.316 -6.030 10.201 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -9.038 -7.641 11.612 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -9.011 -8.064 9.912 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -6.746 -7.018 9.715 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -6.775 -6.675 11.433 1.00 54.31 H new ATOM 1685 N ASP B 252 -8.690 -3.684 10.991 1.00 64.24 N ATOM 1686 CA ASP B 252 -8.294 -2.605 11.903 1.00 14.32 C ATOM 1687 C ASP B 252 -8.910 -1.262 11.453 1.00 44.10 C ATOM 1688 O ASP B 252 -9.614 -1.204 10.440 1.00 71.43 O ATOM 1689 CB ASP B 252 -6.756 -2.526 11.936 1.00 60.51 C ATOM 1690 CG ASP B 252 -6.217 -1.467 12.881 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -6.596 -1.476 14.067 1.00 32.00 O ATOM 1692 OD2 ASP B 252 -5.416 -0.618 12.446 1.00 42.22 O ATOM 0 H ASP B 252 -8.780 -3.389 10.019 1.00 64.24 H new ATOM 0 HA ASP B 252 -8.665 -2.814 12.906 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -6.358 -3.497 12.229 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -6.390 -2.322 10.930 1.00 60.51 H new ATOM 1697 N GLU B 253 -8.663 -0.193 12.211 1.00 31.33 N ATOM 1698 CA GLU B 253 -9.146 1.148 11.846 1.00 0.12 C ATOM 1699 C GLU B 253 -8.347 1.740 10.663 1.00 1.22 C ATOM 1700 O GLU B 253 -8.585 1.319 9.511 1.00 38.70 O ATOM 1701 CB GLU B 253 -9.072 2.086 13.063 1.00 34.14 C ATOM 1702 CG GLU B 253 -9.933 1.644 14.241 1.00 62.54 C ATOM 1703 CD GLU B 253 -11.405 1.504 13.880 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -12.014 2.503 13.434 1.00 33.21 O ATOM 1705 OE2 GLU B 253 -11.962 0.394 14.037 1.00 62.01 O ATOM 1706 OXT GLU B 253 -7.490 2.629 10.879 1.00 38.70 O ATOM 0 H GLU B 253 -8.132 -0.225 13.081 1.00 31.33 H new ATOM 0 HA GLU B 253 -10.184 1.053 11.528 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -8.035 2.157 13.391 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -9.379 3.086 12.757 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -9.564 0.689 14.616 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -9.830 2.366 15.051 1.00 62.54 H new TER 1713 GLU B 253