USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 619 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 198 TYR OH : rot 180:sc= -0.0937 USER MOD Set 1.2: A 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0306) USER MOD Single : A 163 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= 0.0169 K(o=0.017,f=-7!) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc=4.93e-05 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 LYS NZ :NH3+ -150:sc= 1.33 (180deg=1.14) USER MOD Single : A 183 LYS NZ :NH3+ 153:sc= 1.25 (180deg=0.771) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 136:sc= -0.361 (180deg=-0.602) USER MOD Single : A 194 CYS SG : rot -24:sc= 0.737 USER MOD Single : A 195 CYS SG : rot 83:sc= 0.222 USER MOD Single : A 201 GLN : amide:sc= -0.485 K(o=-0.49,f=-4.9!) USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 THR OG1 : rot 88:sc= 0.0438 USER MOD Single : A 215 SER OG : rot -76:sc= 1.06 USER MOD Single : A 218 THR OG1 : rot 82:sc= 0.972 USER MOD Single : A 223 HIS : no HD1:sc= 0.717 K(o=0.72,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 114 N LYS A 154 7.329 14.705 -7.172 1.00 30.51 N ATOM 115 CA LYS A 154 7.774 13.305 -7.129 1.00 41.22 C ATOM 116 C LYS A 154 6.577 12.352 -7.327 1.00 3.21 C ATOM 117 O LYS A 154 5.441 12.694 -6.980 1.00 61.41 O ATOM 118 CB LYS A 154 8.475 13.009 -5.789 1.00 50.52 C ATOM 119 CG LYS A 154 9.744 13.831 -5.557 1.00 30.40 C ATOM 120 CD LYS A 154 10.816 13.544 -6.610 1.00 71.02 C ATOM 121 CE LYS A 154 11.398 12.139 -6.472 1.00 45.11 C ATOM 122 NZ LYS A 154 12.267 12.003 -5.271 1.00 51.32 N ATOM 0 HA LYS A 154 8.484 13.142 -7.940 1.00 41.22 H new ATOM 0 HB2 LYS A 154 7.776 13.201 -4.975 1.00 50.52 H new ATOM 0 HB3 LYS A 154 8.728 11.950 -5.749 1.00 50.52 H new ATOM 0 HG2 LYS A 154 9.496 14.892 -5.573 1.00 30.40 H new ATOM 0 HG3 LYS A 154 10.142 13.611 -4.566 1.00 30.40 H new ATOM 0 HD2 LYS A 154 10.386 13.661 -7.605 1.00 71.02 H new ATOM 0 HD3 LYS A 154 11.617 14.278 -6.520 1.00 71.02 H new ATOM 0 HE2 LYS A 154 10.585 11.415 -6.413 1.00 45.11 H new ATOM 0 HE3 LYS A 154 11.975 11.898 -7.365 1.00 45.11 H new ATOM 0 HZ1 LYS A 154 12.706 11.060 -5.265 1.00 51.32 H new ATOM 0 HZ2 LYS A 154 13.010 12.731 -5.296 1.00 51.32 H new ATOM 0 HZ3 LYS A 154 11.693 12.123 -4.412 1.00 51.32 H new ATOM 136 N PRO A 155 6.811 11.150 -7.897 1.00 43.32 N ATOM 137 CA PRO A 155 5.739 10.161 -8.144 1.00 51.02 C ATOM 138 C PRO A 155 5.041 9.706 -6.853 1.00 23.00 C ATOM 139 O PRO A 155 5.667 9.625 -5.795 1.00 51.02 O ATOM 140 CB PRO A 155 6.479 8.988 -8.810 1.00 32.32 C ATOM 141 CG PRO A 155 7.907 9.167 -8.426 1.00 22.22 C ATOM 142 CD PRO A 155 8.124 10.652 -8.343 1.00 5.03 C ATOM 0 HA PRO A 155 4.938 10.577 -8.756 1.00 51.02 H new ATOM 0 HB2 PRO A 155 6.094 8.030 -8.462 1.00 32.32 H new ATOM 0 HB3 PRO A 155 6.356 9.007 -9.893 1.00 32.32 H new ATOM 0 HG2 PRO A 155 8.118 8.687 -7.471 1.00 22.22 H new ATOM 0 HG3 PRO A 155 8.570 8.715 -9.164 1.00 22.22 H new ATOM 0 HD2 PRO A 155 8.914 10.906 -7.637 1.00 5.03 H new ATOM 0 HD3 PRO A 155 8.410 11.073 -9.307 1.00 5.03 H new ATOM 150 N ILE A 156 3.744 9.405 -6.942 1.00 33.11 N ATOM 151 CA ILE A 156 2.951 9.047 -5.756 1.00 74.22 C ATOM 152 C ILE A 156 2.157 7.742 -5.943 1.00 44.13 C ATOM 153 O ILE A 156 1.912 7.292 -7.066 1.00 3.15 O ATOM 154 CB ILE A 156 1.946 10.171 -5.382 1.00 21.33 C ATOM 155 CG1 ILE A 156 0.903 10.362 -6.500 1.00 3.11 C ATOM 156 CG2 ILE A 156 2.677 11.481 -5.095 1.00 43.23 C ATOM 157 CD1 ILE A 156 -0.296 11.193 -6.085 1.00 54.35 C ATOM 0 H ILE A 156 3.219 9.401 -7.817 1.00 33.11 H new ATOM 0 HA ILE A 156 3.678 8.908 -4.956 1.00 74.22 H new ATOM 0 HB ILE A 156 1.423 9.870 -4.474 1.00 21.33 H new ATOM 0 HG12 ILE A 156 1.384 10.837 -7.355 1.00 3.11 H new ATOM 0 HG13 ILE A 156 0.557 9.383 -6.832 1.00 3.11 H new ATOM 0 HG21 ILE A 156 1.952 12.253 -4.836 1.00 43.23 H new ATOM 0 HG22 ILE A 156 3.368 11.338 -4.264 1.00 43.23 H new ATOM 0 HG23 ILE A 156 3.233 11.789 -5.980 1.00 43.23 H new ATOM 0 HD11 ILE A 156 -0.985 11.283 -6.925 1.00 54.35 H new ATOM 0 HD12 ILE A 156 -0.803 10.709 -5.250 1.00 54.35 H new ATOM 0 HD13 ILE A 156 0.037 12.186 -5.781 1.00 54.35 H new ATOM 169 N VAL A 157 1.758 7.146 -4.820 1.00 22.20 N ATOM 170 CA VAL A 157 0.868 5.980 -4.809 1.00 12.53 C ATOM 171 C VAL A 157 -0.339 6.238 -3.889 1.00 62.41 C ATOM 172 O VAL A 157 -0.186 6.735 -2.770 1.00 74.20 O ATOM 173 CB VAL A 157 1.608 4.699 -4.345 1.00 71.42 C ATOM 174 CG1 VAL A 157 0.659 3.502 -4.313 1.00 33.23 C ATOM 175 CG2 VAL A 157 2.808 4.411 -5.245 1.00 73.14 C ATOM 0 H VAL A 157 2.041 7.456 -3.891 1.00 22.20 H new ATOM 0 HA VAL A 157 0.523 5.823 -5.831 1.00 12.53 H new ATOM 0 HB VAL A 157 1.973 4.869 -3.332 1.00 71.42 H new ATOM 0 HG11 VAL A 157 1.202 2.616 -3.984 1.00 33.23 H new ATOM 0 HG12 VAL A 157 -0.158 3.704 -3.621 1.00 33.23 H new ATOM 0 HG13 VAL A 157 0.255 3.331 -5.311 1.00 33.23 H new ATOM 0 HG21 VAL A 157 3.312 3.508 -4.901 1.00 73.14 H new ATOM 0 HG22 VAL A 157 2.468 4.268 -6.271 1.00 73.14 H new ATOM 0 HG23 VAL A 157 3.502 5.251 -5.206 1.00 73.14 H new ATOM 185 N ARG A 158 -1.534 5.899 -4.368 1.00 35.00 N ATOM 186 CA ARG A 158 -2.781 6.192 -3.646 1.00 64.35 C ATOM 187 C ARG A 158 -3.267 4.968 -2.842 1.00 15.42 C ATOM 188 O ARG A 158 -3.920 4.081 -3.382 1.00 41.22 O ATOM 189 CB ARG A 158 -3.853 6.631 -4.656 1.00 24.23 C ATOM 190 CG ARG A 158 -3.425 7.813 -5.527 1.00 62.23 C ATOM 191 CD ARG A 158 -4.349 8.004 -6.727 1.00 20.34 C ATOM 192 NE ARG A 158 -4.002 9.192 -7.507 1.00 60.51 N ATOM 193 CZ ARG A 158 -4.850 9.878 -8.230 1.00 42.32 C ATOM 194 NH1 ARG A 158 -6.096 9.533 -8.305 1.00 5.22 N ATOM 195 NH2 ARG A 158 -4.445 10.919 -8.876 1.00 73.23 N ATOM 0 H ARG A 158 -1.670 5.419 -5.257 1.00 35.00 H new ATOM 0 HA ARG A 158 -2.594 6.995 -2.933 1.00 64.35 H new ATOM 0 HB2 ARG A 158 -4.101 5.787 -5.300 1.00 24.23 H new ATOM 0 HB3 ARG A 158 -4.761 6.898 -4.116 1.00 24.23 H new ATOM 0 HG2 ARG A 158 -3.419 8.722 -4.926 1.00 62.23 H new ATOM 0 HG3 ARG A 158 -2.405 7.655 -5.877 1.00 62.23 H new ATOM 0 HD2 ARG A 158 -4.298 7.123 -7.367 1.00 20.34 H new ATOM 0 HD3 ARG A 158 -5.379 8.087 -6.381 1.00 20.34 H new ATOM 0 HE ARG A 158 -3.032 9.507 -7.486 1.00 60.51 H new ATOM 0 HH11 ARG A 158 -6.430 8.715 -7.796 1.00 5.22 H new ATOM 0 HH12 ARG A 158 -6.743 10.079 -8.873 1.00 5.22 H new ATOM 0 HH21 ARG A 158 -3.467 11.204 -8.822 1.00 73.23 H new ATOM 0 HH22 ARG A 158 -5.103 11.457 -9.441 1.00 73.23 H new ATOM 209 N VAL A 159 -2.947 4.920 -1.552 1.00 70.34 N ATOM 210 CA VAL A 159 -3.266 3.747 -0.724 1.00 70.34 C ATOM 211 C VAL A 159 -4.551 3.939 0.104 1.00 21.42 C ATOM 212 O VAL A 159 -4.673 4.892 0.876 1.00 11.42 O ATOM 213 CB VAL A 159 -2.096 3.409 0.233 1.00 13.41 C ATOM 214 CG1 VAL A 159 -2.399 2.148 1.043 1.00 64.10 C ATOM 215 CG2 VAL A 159 -0.788 3.258 -0.546 1.00 73.54 C ATOM 0 H VAL A 159 -2.470 5.672 -1.054 1.00 70.34 H new ATOM 0 HA VAL A 159 -3.428 2.922 -1.418 1.00 70.34 H new ATOM 0 HB VAL A 159 -1.980 4.236 0.934 1.00 13.41 H new ATOM 0 HG11 VAL A 159 -1.562 1.932 1.707 1.00 64.10 H new ATOM 0 HG12 VAL A 159 -3.301 2.304 1.635 1.00 64.10 H new ATOM 0 HG13 VAL A 159 -2.550 1.308 0.365 1.00 64.10 H new ATOM 0 HG21 VAL A 159 0.021 3.021 0.144 1.00 73.54 H new ATOM 0 HG22 VAL A 159 -0.890 2.455 -1.276 1.00 73.54 H new ATOM 0 HG23 VAL A 159 -0.562 4.191 -1.063 1.00 73.54 H new ATOM 225 N PHE A 160 -5.503 3.021 -0.063 1.00 35.23 N ATOM 226 CA PHE A 160 -6.736 3.010 0.735 1.00 34.33 C ATOM 227 C PHE A 160 -6.609 2.065 1.940 1.00 21.41 C ATOM 228 O PHE A 160 -6.640 0.839 1.791 1.00 31.01 O ATOM 229 CB PHE A 160 -7.937 2.592 -0.129 1.00 63.42 C ATOM 230 CG PHE A 160 -8.350 3.627 -1.144 1.00 44.52 C ATOM 231 CD1 PHE A 160 -7.639 3.786 -2.323 1.00 33.11 C ATOM 232 CD2 PHE A 160 -9.449 4.444 -0.913 1.00 71.42 C ATOM 233 CE1 PHE A 160 -8.016 4.737 -3.250 1.00 62.33 C ATOM 234 CE2 PHE A 160 -9.828 5.397 -1.840 1.00 43.23 C ATOM 235 CZ PHE A 160 -9.111 5.542 -3.009 1.00 5.45 C ATOM 0 H PHE A 160 -5.446 2.268 -0.749 1.00 35.23 H new ATOM 0 HA PHE A 160 -6.898 4.022 1.105 1.00 34.33 H new ATOM 0 HB2 PHE A 160 -7.693 1.665 -0.648 1.00 63.42 H new ATOM 0 HB3 PHE A 160 -8.784 2.379 0.523 1.00 63.42 H new ATOM 0 HD1 PHE A 160 -6.781 3.160 -2.519 1.00 33.11 H new ATOM 0 HD2 PHE A 160 -10.014 4.334 0.001 1.00 71.42 H new ATOM 0 HE1 PHE A 160 -7.453 4.851 -4.165 1.00 62.33 H new ATOM 0 HE2 PHE A 160 -10.684 6.027 -1.649 1.00 43.23 H new ATOM 0 HZ PHE A 160 -9.406 6.285 -3.735 1.00 5.45 H new ATOM 245 N LEU A 161 -6.471 2.643 3.127 1.00 0.22 N ATOM 246 CA LEU A 161 -6.324 1.871 4.365 1.00 4.53 C ATOM 247 C LEU A 161 -7.697 1.472 4.944 1.00 1.12 C ATOM 248 O LEU A 161 -8.712 2.110 4.651 1.00 41.12 O ATOM 249 CB LEU A 161 -5.541 2.692 5.405 1.00 41.23 C ATOM 250 CG LEU A 161 -4.105 3.078 5.010 1.00 30.42 C ATOM 251 CD1 LEU A 161 -3.469 3.957 6.087 1.00 24.20 C ATOM 252 CD2 LEU A 161 -3.256 1.833 4.759 1.00 5.11 C ATOM 0 H LEU A 161 -6.457 3.654 3.264 1.00 0.22 H new ATOM 0 HA LEU A 161 -5.776 0.959 4.130 1.00 4.53 H new ATOM 0 HB2 LEU A 161 -6.098 3.605 5.613 1.00 41.23 H new ATOM 0 HB3 LEU A 161 -5.502 2.123 6.334 1.00 41.23 H new ATOM 0 HG LEU A 161 -4.150 3.649 4.083 1.00 30.42 H new ATOM 0 HD11 LEU A 161 -2.454 4.220 5.790 1.00 24.20 H new ATOM 0 HD12 LEU A 161 -4.058 4.866 6.209 1.00 24.20 H new ATOM 0 HD13 LEU A 161 -3.441 3.413 7.031 1.00 24.20 H new ATOM 0 HD21 LEU A 161 -2.245 2.132 4.481 1.00 5.11 H new ATOM 0 HD22 LEU A 161 -3.220 1.229 5.665 1.00 5.11 H new ATOM 0 HD23 LEU A 161 -3.697 1.249 3.951 1.00 5.11 H new ATOM 264 N PRO A 162 -7.749 0.406 5.772 1.00 72.41 N ATOM 265 CA PRO A 162 -8.994 -0.023 6.439 1.00 75.23 C ATOM 266 C PRO A 162 -9.650 1.098 7.269 1.00 55.32 C ATOM 267 O PRO A 162 -8.967 2.005 7.749 1.00 61.11 O ATOM 268 CB PRO A 162 -8.535 -1.169 7.354 1.00 21.15 C ATOM 269 CG PRO A 162 -7.267 -1.669 6.741 1.00 22.34 C ATOM 270 CD PRO A 162 -6.611 -0.472 6.109 1.00 62.50 C ATOM 0 HA PRO A 162 -9.755 -0.312 5.714 1.00 75.23 H new ATOM 0 HB2 PRO A 162 -8.369 -0.819 8.373 1.00 21.15 H new ATOM 0 HB3 PRO A 162 -9.286 -1.957 7.406 1.00 21.15 H new ATOM 0 HG2 PRO A 162 -6.619 -2.116 7.495 1.00 22.34 H new ATOM 0 HG3 PRO A 162 -7.471 -2.440 5.998 1.00 22.34 H new ATOM 0 HD2 PRO A 162 -5.918 0.015 6.795 1.00 62.50 H new ATOM 0 HD3 PRO A 162 -6.041 -0.748 5.222 1.00 62.50 H new ATOM 278 N ASN A 163 -10.972 1.017 7.442 1.00 2.23 N ATOM 279 CA ASN A 163 -11.738 2.014 8.209 1.00 44.45 C ATOM 280 C ASN A 163 -11.788 3.373 7.480 1.00 22.35 C ATOM 281 O ASN A 163 -11.408 4.404 8.035 1.00 43.53 O ATOM 282 CB ASN A 163 -11.164 2.169 9.628 1.00 2.43 C ATOM 283 CG ASN A 163 -11.187 0.864 10.406 1.00 65.33 C ATOM 284 OD1 ASN A 163 -12.150 0.555 11.103 1.00 72.41 O ATOM 285 ND2 ASN A 163 -10.122 0.090 10.308 1.00 44.44 N ATOM 0 H ASN A 163 -11.543 0.264 7.058 1.00 2.23 H new ATOM 0 HA ASN A 163 -12.762 1.652 8.293 1.00 44.45 H new ATOM 0 HB2 ASN A 163 -10.139 2.534 9.565 1.00 2.43 H new ATOM 0 HB3 ASN A 163 -11.737 2.922 10.169 1.00 2.43 H new ATOM 0 HD21 ASN A 163 -10.084 -0.792 10.819 1.00 44.44 H new ATOM 0 HD22 ASN A 163 -9.338 0.374 9.721 1.00 44.44 H new ATOM 292 N LYS A 164 -12.259 3.337 6.224 1.00 70.41 N ATOM 293 CA LYS A 164 -12.467 4.532 5.368 1.00 43.05 C ATOM 294 C LYS A 164 -11.238 5.464 5.279 1.00 21.15 C ATOM 295 O LYS A 164 -11.375 6.643 4.936 1.00 52.03 O ATOM 296 CB LYS A 164 -13.712 5.338 5.814 1.00 51.30 C ATOM 297 CG LYS A 164 -13.563 6.093 7.139 1.00 72.13 C ATOM 298 CD LYS A 164 -14.727 7.052 7.385 1.00 64.43 C ATOM 299 CE LYS A 164 -16.066 6.327 7.476 1.00 63.02 C ATOM 300 NZ LYS A 164 -17.205 7.282 7.525 1.00 53.11 N ATOM 0 H LYS A 164 -12.513 2.465 5.760 1.00 70.41 H new ATOM 0 HA LYS A 164 -12.631 4.136 4.366 1.00 43.05 H new ATOM 0 HB2 LYS A 164 -13.959 6.056 5.032 1.00 51.30 H new ATOM 0 HB3 LYS A 164 -14.557 4.654 5.898 1.00 51.30 H new ATOM 0 HG2 LYS A 164 -13.503 5.378 7.959 1.00 72.13 H new ATOM 0 HG3 LYS A 164 -12.627 6.652 7.135 1.00 72.13 H new ATOM 0 HD2 LYS A 164 -14.551 7.603 8.309 1.00 64.43 H new ATOM 0 HD3 LYS A 164 -14.767 7.785 6.579 1.00 64.43 H new ATOM 0 HE2 LYS A 164 -16.181 5.666 6.617 1.00 63.02 H new ATOM 0 HE3 LYS A 164 -16.080 5.698 8.366 1.00 63.02 H new ATOM 0 HZ1 LYS A 164 -18.099 6.754 7.587 1.00 53.11 H new ATOM 0 HZ2 LYS A 164 -17.108 7.896 8.359 1.00 53.11 H new ATOM 0 HZ3 LYS A 164 -17.206 7.865 6.664 1.00 53.11 H new ATOM 314 N GLN A 165 -10.044 4.936 5.533 1.00 11.24 N ATOM 315 CA GLN A 165 -8.820 5.755 5.533 1.00 43.04 C ATOM 316 C GLN A 165 -8.109 5.752 4.166 1.00 12.03 C ATOM 317 O GLN A 165 -8.093 4.744 3.461 1.00 44.34 O ATOM 318 CB GLN A 165 -7.858 5.252 6.620 1.00 40.40 C ATOM 319 CG GLN A 165 -8.440 5.323 8.027 1.00 31.51 C ATOM 320 CD GLN A 165 -8.729 6.747 8.469 1.00 43.53 C ATOM 321 OE1 GLN A 165 -8.018 7.681 8.106 1.00 35.23 O ATOM 322 NE2 GLN A 165 -9.782 6.932 9.240 1.00 43.35 N ATOM 0 H GLN A 165 -9.891 3.949 5.742 1.00 11.24 H new ATOM 0 HA GLN A 165 -9.118 6.783 5.741 1.00 43.04 H new ATOM 0 HB2 GLN A 165 -7.582 4.220 6.401 1.00 40.40 H new ATOM 0 HB3 GLN A 165 -6.942 5.841 6.584 1.00 40.40 H new ATOM 0 HG2 GLN A 165 -9.361 4.741 8.065 1.00 31.51 H new ATOM 0 HG3 GLN A 165 -7.743 4.863 8.728 1.00 31.51 H new ATOM 0 HE21 GLN A 165 -10.352 6.135 9.524 1.00 43.35 H new ATOM 0 HE22 GLN A 165 -10.027 7.872 9.552 1.00 43.35 H new ATOM 331 N ARG A 166 -7.517 6.889 3.798 1.00 31.31 N ATOM 332 CA ARG A 166 -6.751 7.001 2.549 1.00 1.24 C ATOM 333 C ARG A 166 -5.467 7.816 2.772 1.00 45.14 C ATOM 334 O ARG A 166 -5.459 8.783 3.534 1.00 41.10 O ATOM 335 CB ARG A 166 -7.607 7.656 1.448 1.00 31.31 C ATOM 336 CG ARG A 166 -6.957 7.651 0.062 1.00 51.34 C ATOM 337 CD ARG A 166 -7.801 8.403 -0.964 1.00 22.32 C ATOM 338 NE ARG A 166 -7.237 8.315 -2.314 1.00 72.11 N ATOM 339 CZ ARG A 166 -6.632 9.298 -2.930 1.00 11.53 C ATOM 340 NH1 ARG A 166 -6.451 10.438 -2.340 1.00 61.32 N ATOM 341 NH2 ARG A 166 -6.214 9.138 -4.141 1.00 65.31 N ATOM 0 H ARG A 166 -7.552 7.749 4.346 1.00 31.31 H new ATOM 0 HA ARG A 166 -6.475 5.996 2.228 1.00 1.24 H new ATOM 0 HB2 ARG A 166 -8.564 7.137 1.390 1.00 31.31 H new ATOM 0 HB3 ARG A 166 -7.820 8.686 1.733 1.00 31.31 H new ATOM 0 HG2 ARG A 166 -5.968 8.106 0.123 1.00 51.34 H new ATOM 0 HG3 ARG A 166 -6.815 6.622 -0.269 1.00 51.34 H new ATOM 0 HD2 ARG A 166 -8.813 7.998 -0.967 1.00 22.32 H new ATOM 0 HD3 ARG A 166 -7.878 9.450 -0.672 1.00 22.32 H new ATOM 0 HE ARG A 166 -7.322 7.426 -2.807 1.00 72.11 H new ATOM 0 HH11 ARG A 166 -6.782 10.576 -1.385 1.00 61.32 H new ATOM 0 HH12 ARG A 166 -5.978 11.197 -2.831 1.00 61.32 H new ATOM 0 HH21 ARG A 166 -6.356 8.246 -4.616 1.00 65.31 H new ATOM 0 HH22 ARG A 166 -5.742 9.903 -4.623 1.00 65.31 H new ATOM 355 N THR A 167 -4.384 7.421 2.109 1.00 31.33 N ATOM 356 CA THR A 167 -3.101 8.129 2.227 1.00 42.24 C ATOM 357 C THR A 167 -2.326 8.121 0.906 1.00 71.24 C ATOM 358 O THR A 167 -2.570 7.285 0.033 1.00 10.10 O ATOM 359 CB THR A 167 -2.206 7.520 3.333 1.00 2.33 C ATOM 360 OG1 THR A 167 -0.976 8.256 3.425 1.00 40.11 O ATOM 361 CG2 THR A 167 -1.904 6.047 3.061 1.00 62.05 C ATOM 0 H THR A 167 -4.363 6.616 1.483 1.00 31.33 H new ATOM 0 HA THR A 167 -3.348 9.157 2.493 1.00 42.24 H new ATOM 0 HB THR A 167 -2.748 7.586 4.277 1.00 2.33 H new ATOM 0 HG1 THR A 167 -0.414 7.867 4.128 1.00 40.11 H new ATOM 0 HG21 THR A 167 -1.273 5.652 3.857 1.00 62.05 H new ATOM 0 HG22 THR A 167 -2.837 5.485 3.024 1.00 62.05 H new ATOM 0 HG23 THR A 167 -1.386 5.952 2.107 1.00 62.05 H new ATOM 369 N VAL A 168 -1.387 9.054 0.768 1.00 40.02 N ATOM 370 CA VAL A 168 -0.569 9.169 -0.445 1.00 71.32 C ATOM 371 C VAL A 168 0.930 9.207 -0.097 1.00 4.43 C ATOM 372 O VAL A 168 1.390 10.097 0.624 1.00 32.22 O ATOM 373 CB VAL A 168 -0.940 10.440 -1.257 1.00 1.00 C ATOM 374 CG1 VAL A 168 -0.073 10.567 -2.506 1.00 12.12 C ATOM 375 CG2 VAL A 168 -2.425 10.433 -1.627 1.00 72.41 C ATOM 0 H VAL A 168 -1.170 9.747 1.484 1.00 40.02 H new ATOM 0 HA VAL A 168 -0.773 8.289 -1.055 1.00 71.32 H new ATOM 0 HB VAL A 168 -0.748 11.308 -0.626 1.00 1.00 H new ATOM 0 HG11 VAL A 168 -0.355 11.466 -3.055 1.00 12.12 H new ATOM 0 HG12 VAL A 168 0.976 10.633 -2.216 1.00 12.12 H new ATOM 0 HG13 VAL A 168 -0.219 9.693 -3.141 1.00 12.12 H new ATOM 0 HG21 VAL A 168 -2.663 11.332 -2.195 1.00 72.41 H new ATOM 0 HG22 VAL A 168 -2.645 9.553 -2.231 1.00 72.41 H new ATOM 0 HG23 VAL A 168 -3.026 10.409 -0.718 1.00 72.41 H new ATOM 385 N VAL A 169 1.685 8.236 -0.618 1.00 10.21 N ATOM 386 CA VAL A 169 3.130 8.126 -0.352 1.00 13.12 C ATOM 387 C VAL A 169 3.948 8.201 -1.657 1.00 10.25 C ATOM 388 O VAL A 169 3.451 7.845 -2.727 1.00 54.42 O ATOM 389 CB VAL A 169 3.462 6.805 0.395 1.00 32.23 C ATOM 390 CG1 VAL A 169 2.840 6.805 1.791 1.00 30.34 C ATOM 391 CG2 VAL A 169 2.993 5.591 -0.412 1.00 32.12 C ATOM 0 H VAL A 169 1.320 7.508 -1.232 1.00 10.21 H new ATOM 0 HA VAL A 169 3.404 8.970 0.281 1.00 13.12 H new ATOM 0 HB VAL A 169 4.544 6.738 0.505 1.00 32.23 H new ATOM 0 HG11 VAL A 169 3.084 5.871 2.298 1.00 30.34 H new ATOM 0 HG12 VAL A 169 3.234 7.643 2.365 1.00 30.34 H new ATOM 0 HG13 VAL A 169 1.757 6.900 1.707 1.00 30.34 H new ATOM 0 HG21 VAL A 169 3.236 4.677 0.131 1.00 32.12 H new ATOM 0 HG22 VAL A 169 1.915 5.648 -0.562 1.00 32.12 H new ATOM 0 HG23 VAL A 169 3.494 5.582 -1.380 1.00 32.12 H new ATOM 401 N PRO A 170 5.211 8.672 -1.591 1.00 54.31 N ATOM 402 CA PRO A 170 6.068 8.807 -2.783 1.00 73.33 C ATOM 403 C PRO A 170 6.599 7.457 -3.310 1.00 5.25 C ATOM 404 O PRO A 170 7.185 6.667 -2.565 1.00 34.11 O ATOM 405 CB PRO A 170 7.221 9.686 -2.284 1.00 40.43 C ATOM 406 CG PRO A 170 7.315 9.392 -0.824 1.00 22.11 C ATOM 407 CD PRO A 170 5.905 9.115 -0.361 1.00 71.34 C ATOM 0 HA PRO A 170 5.520 9.226 -3.627 1.00 73.33 H new ATOM 0 HB2 PRO A 170 8.152 9.447 -2.797 1.00 40.43 H new ATOM 0 HB3 PRO A 170 7.020 10.742 -2.463 1.00 40.43 H new ATOM 0 HG2 PRO A 170 7.961 8.534 -0.640 1.00 22.11 H new ATOM 0 HG3 PRO A 170 7.744 10.236 -0.283 1.00 22.11 H new ATOM 0 HD2 PRO A 170 5.881 8.346 0.411 1.00 71.34 H new ATOM 0 HD3 PRO A 170 5.440 10.006 0.062 1.00 71.34 H new ATOM 415 N ALA A 171 6.396 7.208 -4.604 1.00 24.24 N ATOM 416 CA ALA A 171 6.876 5.980 -5.249 1.00 12.02 C ATOM 417 C ALA A 171 8.361 6.090 -5.623 1.00 33.15 C ATOM 418 O ALA A 171 8.720 6.752 -6.599 1.00 23.43 O ATOM 419 CB ALA A 171 6.043 5.680 -6.489 1.00 24.11 C ATOM 0 H ALA A 171 5.900 7.842 -5.231 1.00 24.24 H new ATOM 0 HA ALA A 171 6.768 5.161 -4.538 1.00 12.02 H new ATOM 0 HB1 ALA A 171 6.407 4.767 -6.960 1.00 24.11 H new ATOM 0 HB2 ALA A 171 4.999 5.549 -6.203 1.00 24.11 H new ATOM 0 HB3 ALA A 171 6.126 6.509 -7.192 1.00 24.11 H new ATOM 425 N ARG A 172 9.223 5.442 -4.844 1.00 12.12 N ATOM 426 CA ARG A 172 10.672 5.487 -5.078 1.00 74.35 C ATOM 427 C ARG A 172 11.206 4.137 -5.578 1.00 44.10 C ATOM 428 O ARG A 172 10.958 3.094 -4.968 1.00 3.13 O ATOM 429 CB ARG A 172 11.400 5.865 -3.785 1.00 64.24 C ATOM 430 CG ARG A 172 10.900 7.152 -3.145 1.00 43.22 C ATOM 431 CD ARG A 172 11.605 7.415 -1.824 1.00 21.30 C ATOM 432 NE ARG A 172 11.034 8.559 -1.114 1.00 14.43 N ATOM 433 CZ ARG A 172 11.007 8.681 0.185 1.00 64.23 C ATOM 434 NH1 ARG A 172 11.497 7.757 0.948 1.00 41.33 N ATOM 435 NH2 ARG A 172 10.484 9.734 0.722 1.00 4.43 N ATOM 0 H ARG A 172 8.946 4.876 -4.041 1.00 12.12 H new ATOM 0 HA ARG A 172 10.857 6.238 -5.846 1.00 74.35 H new ATOM 0 HB2 ARG A 172 11.293 5.050 -3.069 1.00 64.24 H new ATOM 0 HB3 ARG A 172 12.465 5.966 -3.996 1.00 64.24 H new ATOM 0 HG2 ARG A 172 11.068 7.988 -3.823 1.00 43.22 H new ATOM 0 HG3 ARG A 172 9.825 7.086 -2.980 1.00 43.22 H new ATOM 0 HD2 ARG A 172 11.537 6.528 -1.195 1.00 21.30 H new ATOM 0 HD3 ARG A 172 12.664 7.595 -2.008 1.00 21.30 H new ATOM 0 HE ARG A 172 10.630 9.312 -1.671 1.00 14.43 H new ATOM 0 HH11 ARG A 172 11.911 6.921 0.535 1.00 41.33 H new ATOM 0 HH12 ARG A 172 11.469 7.865 1.962 1.00 41.33 H new ATOM 0 HH21 ARG A 172 10.093 10.468 0.131 1.00 4.43 H new ATOM 0 HH22 ARG A 172 10.462 9.831 1.737 1.00 4.43 H new ATOM 449 N CYS A 173 11.951 4.165 -6.676 1.00 54.05 N ATOM 450 CA CYS A 173 12.570 2.946 -7.218 1.00 75.53 C ATOM 451 C CYS A 173 13.688 2.445 -6.293 1.00 44.50 C ATOM 452 O CYS A 173 14.741 3.078 -6.163 1.00 34.22 O ATOM 453 CB CYS A 173 13.121 3.197 -8.627 1.00 70.34 C ATOM 454 SG CYS A 173 13.868 1.742 -9.403 1.00 51.42 S ATOM 0 H CYS A 173 12.145 5.011 -7.212 1.00 54.05 H new ATOM 0 HA CYS A 173 11.800 2.177 -7.278 1.00 75.53 H new ATOM 0 HB2 CYS A 173 12.312 3.558 -9.262 1.00 70.34 H new ATOM 0 HB3 CYS A 173 13.866 3.991 -8.577 1.00 70.34 H new ATOM 0 HG CYS A 173 14.300 2.056 -10.588 1.00 51.42 H new ATOM 460 N GLY A 174 13.450 1.310 -5.642 1.00 51.14 N ATOM 461 CA GLY A 174 14.394 0.786 -4.658 1.00 22.25 C ATOM 462 C GLY A 174 13.784 0.695 -3.263 1.00 71.12 C ATOM 463 O GLY A 174 14.405 0.174 -2.334 1.00 2.40 O ATOM 0 H GLY A 174 12.617 0.738 -5.776 1.00 51.14 H new ATOM 0 HA2 GLY A 174 14.730 -0.203 -4.971 1.00 22.25 H new ATOM 0 HA3 GLY A 174 15.275 1.427 -4.626 1.00 22.25 H new ATOM 467 N VAL A 175 12.567 1.215 -3.117 1.00 31.53 N ATOM 468 CA VAL A 175 11.829 1.158 -1.853 1.00 2.12 C ATOM 469 C VAL A 175 10.623 0.218 -1.973 1.00 14.31 C ATOM 470 O VAL A 175 9.865 0.287 -2.938 1.00 31.42 O ATOM 471 CB VAL A 175 11.339 2.563 -1.422 1.00 31.24 C ATOM 472 CG1 VAL A 175 10.535 2.494 -0.123 1.00 54.12 C ATOM 473 CG2 VAL A 175 12.519 3.523 -1.279 1.00 75.25 C ATOM 0 H VAL A 175 12.064 1.687 -3.868 1.00 31.53 H new ATOM 0 HA VAL A 175 12.514 0.777 -1.095 1.00 2.12 H new ATOM 0 HB VAL A 175 10.679 2.943 -2.202 1.00 31.24 H new ATOM 0 HG11 VAL A 175 10.205 3.495 0.154 1.00 54.12 H new ATOM 0 HG12 VAL A 175 9.666 1.852 -0.267 1.00 54.12 H new ATOM 0 HG13 VAL A 175 11.161 2.086 0.671 1.00 54.12 H new ATOM 0 HG21 VAL A 175 12.155 4.505 -0.976 1.00 75.25 H new ATOM 0 HG22 VAL A 175 13.208 3.143 -0.525 1.00 75.25 H new ATOM 0 HG23 VAL A 175 13.037 3.608 -2.234 1.00 75.25 H new ATOM 483 N THR A 176 10.451 -0.659 -0.993 1.00 33.22 N ATOM 484 CA THR A 176 9.332 -1.606 -0.996 1.00 71.35 C ATOM 485 C THR A 176 8.075 -1.002 -0.358 1.00 23.02 C ATOM 486 O THR A 176 8.159 -0.075 0.453 1.00 0.03 O ATOM 487 CB THR A 176 9.698 -2.910 -0.249 1.00 52.41 C ATOM 488 OG1 THR A 176 10.008 -2.629 1.127 1.00 1.23 O ATOM 489 CG2 THR A 176 10.889 -3.595 -0.912 1.00 62.42 C ATOM 0 H THR A 176 11.068 -0.738 -0.185 1.00 33.22 H new ATOM 0 HA THR A 176 9.123 -1.834 -2.041 1.00 71.35 H new ATOM 0 HB THR A 176 8.838 -3.578 -0.293 1.00 52.41 H new ATOM 0 HG1 THR A 176 10.236 -3.463 1.588 1.00 1.23 H new ATOM 0 HG21 THR A 176 11.130 -4.510 -0.371 1.00 62.42 H new ATOM 0 HG22 THR A 176 10.640 -3.839 -1.945 1.00 62.42 H new ATOM 0 HG23 THR A 176 11.749 -2.926 -0.895 1.00 62.42 H new ATOM 497 N VAL A 177 6.911 -1.535 -0.732 1.00 34.15 N ATOM 498 CA VAL A 177 5.624 -1.078 -0.184 1.00 64.33 C ATOM 499 C VAL A 177 5.653 -1.032 1.354 1.00 10.41 C ATOM 500 O VAL A 177 5.169 -0.080 1.972 1.00 52.35 O ATOM 501 CB VAL A 177 4.462 -1.998 -0.649 1.00 54.41 C ATOM 502 CG1 VAL A 177 3.123 -1.532 -0.074 1.00 2.23 C ATOM 503 CG2 VAL A 177 4.404 -2.070 -2.177 1.00 14.21 C ATOM 0 H VAL A 177 6.829 -2.288 -1.415 1.00 34.15 H new ATOM 0 HA VAL A 177 5.456 -0.070 -0.562 1.00 64.33 H new ATOM 0 HB VAL A 177 4.657 -3.001 -0.268 1.00 54.41 H new ATOM 0 HG11 VAL A 177 2.329 -2.195 -0.417 1.00 2.23 H new ATOM 0 HG12 VAL A 177 3.168 -1.552 1.015 1.00 2.23 H new ATOM 0 HG13 VAL A 177 2.917 -0.516 -0.410 1.00 2.23 H new ATOM 0 HG21 VAL A 177 3.583 -2.720 -2.480 1.00 14.21 H new ATOM 0 HG22 VAL A 177 4.245 -1.071 -2.583 1.00 14.21 H new ATOM 0 HG23 VAL A 177 5.343 -2.471 -2.558 1.00 14.21 H new ATOM 513 N ARG A 178 6.247 -2.056 1.961 1.00 64.01 N ATOM 514 CA ARG A 178 6.342 -2.140 3.419 1.00 33.51 C ATOM 515 C ARG A 178 7.188 -0.991 3.989 1.00 32.15 C ATOM 516 O ARG A 178 6.790 -0.334 4.949 1.00 21.43 O ATOM 517 CB ARG A 178 6.950 -3.491 3.833 1.00 74.33 C ATOM 518 CG ARG A 178 6.653 -3.877 5.281 1.00 54.45 C ATOM 519 CD ARG A 178 7.270 -5.222 5.666 1.00 61.54 C ATOM 520 NE ARG A 178 6.960 -5.575 7.052 1.00 54.22 N ATOM 521 CZ ARG A 178 6.643 -6.774 7.464 1.00 70.14 C ATOM 522 NH1 ARG A 178 6.639 -7.780 6.646 1.00 23.03 N ATOM 523 NH2 ARG A 178 6.341 -6.961 8.706 1.00 73.11 N ATOM 0 H ARG A 178 6.671 -2.841 1.467 1.00 64.01 H new ATOM 0 HA ARG A 178 5.334 -2.056 3.826 1.00 33.51 H new ATOM 0 HB2 ARG A 178 6.568 -4.270 3.173 1.00 74.33 H new ATOM 0 HB3 ARG A 178 8.030 -3.453 3.690 1.00 74.33 H new ATOM 0 HG2 ARG A 178 7.035 -3.102 5.946 1.00 54.45 H new ATOM 0 HG3 ARG A 178 5.574 -3.920 5.428 1.00 54.45 H new ATOM 0 HD2 ARG A 178 6.897 -5.999 4.999 1.00 61.54 H new ATOM 0 HD3 ARG A 178 8.351 -5.179 5.533 1.00 61.54 H new ATOM 0 HE ARG A 178 6.994 -4.830 7.748 1.00 54.22 H new ATOM 0 HH11 ARG A 178 6.886 -7.641 5.666 1.00 23.03 H new ATOM 0 HH12 ARG A 178 6.389 -8.710 6.983 1.00 23.03 H new ATOM 0 HH21 ARG A 178 6.351 -6.176 9.357 1.00 73.11 H new ATOM 0 HH22 ARG A 178 6.092 -7.894 9.036 1.00 73.11 H new ATOM 537 N ASP A 179 8.347 -0.746 3.379 1.00 21.42 N ATOM 538 CA ASP A 179 9.279 0.278 3.866 1.00 74.23 C ATOM 539 C ASP A 179 8.680 1.697 3.767 1.00 54.00 C ATOM 540 O ASP A 179 8.981 2.567 4.583 1.00 3.10 O ATOM 541 CB ASP A 179 10.599 0.198 3.088 1.00 25.00 C ATOM 542 CG ASP A 179 11.670 1.106 3.667 1.00 75.42 C ATOM 543 OD1 ASP A 179 12.191 0.790 4.756 1.00 34.41 O ATOM 544 OD2 ASP A 179 11.991 2.142 3.046 1.00 53.44 O ATOM 0 H ASP A 179 8.666 -1.241 2.546 1.00 21.42 H new ATOM 0 HA ASP A 179 9.469 0.080 4.921 1.00 74.23 H new ATOM 0 HB2 ASP A 179 10.958 -0.831 3.093 1.00 25.00 H new ATOM 0 HB3 ASP A 179 10.421 0.469 2.047 1.00 25.00 H new ATOM 549 N SER A 180 7.829 1.923 2.770 1.00 12.02 N ATOM 550 CA SER A 180 7.183 3.235 2.592 1.00 64.42 C ATOM 551 C SER A 180 5.987 3.419 3.545 1.00 53.14 C ATOM 552 O SER A 180 5.830 4.475 4.171 1.00 70.30 O ATOM 553 CB SER A 180 6.720 3.412 1.139 1.00 34.21 C ATOM 554 OG SER A 180 6.134 4.691 0.937 1.00 72.44 O ATOM 0 H SER A 180 7.567 1.225 2.074 1.00 12.02 H new ATOM 0 HA SER A 180 7.925 3.996 2.832 1.00 64.42 H new ATOM 0 HB2 SER A 180 7.569 3.288 0.467 1.00 34.21 H new ATOM 0 HB3 SER A 180 5.998 2.635 0.888 1.00 34.21 H new ATOM 0 HG SER A 180 5.850 4.777 0.003 1.00 72.44 H new ATOM 560 N LEU A 181 5.151 2.387 3.667 1.00 31.24 N ATOM 561 CA LEU A 181 3.928 2.467 4.484 1.00 2.21 C ATOM 562 C LEU A 181 4.174 2.168 5.976 1.00 3.54 C ATOM 563 O LEU A 181 3.323 2.476 6.812 1.00 41.04 O ATOM 564 CB LEU A 181 2.863 1.503 3.939 1.00 64.21 C ATOM 565 CG LEU A 181 2.367 1.798 2.513 1.00 33.42 C ATOM 566 CD1 LEU A 181 1.323 0.769 2.083 1.00 61.25 C ATOM 567 CD2 LEU A 181 1.793 3.212 2.426 1.00 33.30 C ATOM 0 H LEU A 181 5.294 1.485 3.213 1.00 31.24 H new ATOM 0 HA LEU A 181 3.579 3.497 4.415 1.00 2.21 H new ATOM 0 HB2 LEU A 181 3.269 0.492 3.961 1.00 64.21 H new ATOM 0 HB3 LEU A 181 2.006 1.518 4.613 1.00 64.21 H new ATOM 0 HG LEU A 181 3.217 1.729 1.834 1.00 33.42 H new ATOM 0 HD11 LEU A 181 0.985 0.995 1.072 1.00 61.25 H new ATOM 0 HD12 LEU A 181 1.764 -0.228 2.104 1.00 61.25 H new ATOM 0 HD13 LEU A 181 0.474 0.804 2.766 1.00 61.25 H new ATOM 0 HD21 LEU A 181 1.447 3.402 1.410 1.00 33.30 H new ATOM 0 HD22 LEU A 181 0.956 3.308 3.118 1.00 33.30 H new ATOM 0 HD23 LEU A 181 2.565 3.935 2.688 1.00 33.30 H new ATOM 579 N LYS A 182 5.329 1.582 6.313 1.00 64.34 N ATOM 580 CA LYS A 182 5.637 1.205 7.709 1.00 70.13 C ATOM 581 C LYS A 182 5.367 2.361 8.690 1.00 44.01 C ATOM 582 O LYS A 182 4.762 2.169 9.745 1.00 12.04 O ATOM 583 CB LYS A 182 7.100 0.742 7.834 1.00 31.33 C ATOM 584 CG LYS A 182 8.127 1.822 7.509 1.00 53.51 C ATOM 585 CD LYS A 182 9.561 1.301 7.596 1.00 12.13 C ATOM 586 CE LYS A 182 10.573 2.403 7.296 1.00 63.40 C ATOM 587 NZ LYS A 182 11.967 1.890 7.260 1.00 61.42 N ATOM 0 H LYS A 182 6.067 1.357 5.646 1.00 64.34 H new ATOM 0 HA LYS A 182 4.975 0.381 7.973 1.00 70.13 H new ATOM 0 HB2 LYS A 182 7.272 0.387 8.850 1.00 31.33 H new ATOM 0 HB3 LYS A 182 7.259 -0.107 7.169 1.00 31.33 H new ATOM 0 HG2 LYS A 182 7.942 2.206 6.506 1.00 53.51 H new ATOM 0 HG3 LYS A 182 8.003 2.657 8.198 1.00 53.51 H new ATOM 0 HD2 LYS A 182 9.744 0.899 8.592 1.00 12.13 H new ATOM 0 HD3 LYS A 182 9.695 0.480 6.891 1.00 12.13 H new ATOM 0 HE2 LYS A 182 10.332 2.864 6.338 1.00 63.40 H new ATOM 0 HE3 LYS A 182 10.494 3.183 8.054 1.00 63.40 H new ATOM 0 HZ1 LYS A 182 12.621 2.641 7.560 1.00 61.42 H new ATOM 0 HZ2 LYS A 182 12.055 1.077 7.903 1.00 61.42 H new ATOM 0 HZ3 LYS A 182 12.202 1.592 6.292 1.00 61.42 H new ATOM 601 N LYS A 183 5.811 3.562 8.324 1.00 12.32 N ATOM 602 CA LYS A 183 5.606 4.757 9.151 1.00 3.12 C ATOM 603 C LYS A 183 4.122 5.147 9.240 1.00 1.04 C ATOM 604 O LYS A 183 3.636 5.535 10.304 1.00 55.21 O ATOM 605 CB LYS A 183 6.446 5.930 8.614 1.00 33.04 C ATOM 606 CG LYS A 183 6.431 6.076 7.091 1.00 22.50 C ATOM 607 CD LYS A 183 7.312 7.238 6.633 1.00 33.44 C ATOM 608 CE LYS A 183 7.676 7.141 5.154 1.00 71.41 C ATOM 609 NZ LYS A 183 6.483 7.155 4.264 1.00 34.01 N ATOM 0 H LYS A 183 6.318 3.737 7.456 1.00 12.32 H new ATOM 0 HA LYS A 183 5.937 4.519 10.162 1.00 3.12 H new ATOM 0 HB2 LYS A 183 6.081 6.856 9.059 1.00 33.04 H new ATOM 0 HB3 LYS A 183 7.477 5.803 8.944 1.00 33.04 H new ATOM 0 HG2 LYS A 183 6.779 5.151 6.632 1.00 22.50 H new ATOM 0 HG3 LYS A 183 5.408 6.236 6.749 1.00 22.50 H new ATOM 0 HD2 LYS A 183 6.793 8.179 6.816 1.00 33.44 H new ATOM 0 HD3 LYS A 183 8.224 7.256 7.229 1.00 33.44 H new ATOM 0 HE2 LYS A 183 8.330 7.972 4.890 1.00 71.41 H new ATOM 0 HE3 LYS A 183 8.241 6.224 4.983 1.00 71.41 H new ATOM 0 HZ1 LYS A 183 6.748 7.538 3.334 1.00 34.01 H new ATOM 0 HZ2 LYS A 183 6.124 6.186 4.149 1.00 34.01 H new ATOM 0 HZ3 LYS A 183 5.742 7.751 4.686 1.00 34.01 H new ATOM 623 N ALA A 184 3.406 5.023 8.123 1.00 73.22 N ATOM 624 CA ALA A 184 1.978 5.366 8.069 1.00 33.33 C ATOM 625 C ALA A 184 1.144 4.436 8.962 1.00 2.40 C ATOM 626 O ALA A 184 0.247 4.879 9.682 1.00 3.20 O ATOM 627 CB ALA A 184 1.480 5.305 6.628 1.00 10.20 C ATOM 0 H ALA A 184 3.789 4.687 7.239 1.00 73.22 H new ATOM 0 HA ALA A 184 1.860 6.382 8.446 1.00 33.33 H new ATOM 0 HB1 ALA A 184 0.421 5.561 6.598 1.00 10.20 H new ATOM 0 HB2 ALA A 184 2.042 6.013 6.019 1.00 10.20 H new ATOM 0 HB3 ALA A 184 1.621 4.298 6.237 1.00 10.20 H new ATOM 633 N LEU A 185 1.451 3.144 8.908 1.00 71.41 N ATOM 634 CA LEU A 185 0.752 2.140 9.718 1.00 35.01 C ATOM 635 C LEU A 185 1.113 2.268 11.207 1.00 54.21 C ATOM 636 O LEU A 185 0.233 2.372 12.064 1.00 45.22 O ATOM 637 CB LEU A 185 1.098 0.730 9.221 1.00 42.01 C ATOM 638 CG LEU A 185 0.751 0.443 7.750 1.00 53.35 C ATOM 639 CD1 LEU A 185 1.179 -0.970 7.363 1.00 14.35 C ATOM 640 CD2 LEU A 185 -0.742 0.641 7.494 1.00 30.13 C ATOM 0 H LEU A 185 2.183 2.761 8.310 1.00 71.41 H new ATOM 0 HA LEU A 185 -0.319 2.313 9.612 1.00 35.01 H new ATOM 0 HB2 LEU A 185 2.166 0.565 9.363 1.00 42.01 H new ATOM 0 HB3 LEU A 185 0.578 0.005 9.847 1.00 42.01 H new ATOM 0 HG LEU A 185 1.299 1.151 7.128 1.00 53.35 H new ATOM 0 HD11 LEU A 185 0.925 -1.154 6.319 1.00 14.35 H new ATOM 0 HD12 LEU A 185 2.256 -1.074 7.498 1.00 14.35 H new ATOM 0 HD13 LEU A 185 0.662 -1.693 7.995 1.00 14.35 H new ATOM 0 HD21 LEU A 185 -0.962 0.432 6.447 1.00 30.13 H new ATOM 0 HD22 LEU A 185 -1.313 -0.038 8.127 1.00 30.13 H new ATOM 0 HD23 LEU A 185 -1.017 1.670 7.724 1.00 30.13 H new ATOM 652 N MET A 186 2.415 2.277 11.498 1.00 53.52 N ATOM 653 CA MET A 186 2.918 2.328 12.880 1.00 31.44 C ATOM 654 C MET A 186 2.266 3.449 13.710 1.00 51.35 C ATOM 655 O MET A 186 1.729 3.198 14.791 1.00 44.25 O ATOM 656 CB MET A 186 4.442 2.509 12.870 1.00 32.42 C ATOM 657 CG MET A 186 5.062 2.662 14.257 1.00 34.42 C ATOM 658 SD MET A 186 4.690 1.271 15.346 1.00 55.44 S ATOM 659 CE MET A 186 5.602 1.742 16.816 1.00 31.34 C ATOM 0 H MET A 186 3.149 2.249 10.791 1.00 53.52 H new ATOM 0 HA MET A 186 2.653 1.383 13.354 1.00 31.44 H new ATOM 0 HB2 MET A 186 4.896 1.651 12.374 1.00 32.42 H new ATOM 0 HB3 MET A 186 4.689 3.388 12.275 1.00 32.42 H new ATOM 0 HG2 MET A 186 6.143 2.761 14.158 1.00 34.42 H new ATOM 0 HG3 MET A 186 4.698 3.582 14.713 1.00 34.42 H new ATOM 0 HE1 MET A 186 5.472 0.980 17.585 1.00 31.34 H new ATOM 0 HE2 MET A 186 6.660 1.835 16.573 1.00 31.34 H new ATOM 0 HE3 MET A 186 5.229 2.697 17.185 1.00 31.34 H new ATOM 669 N MET A 187 2.304 4.677 13.196 1.00 54.44 N ATOM 670 CA MET A 187 1.789 5.839 13.935 1.00 51.20 C ATOM 671 C MET A 187 0.277 5.736 14.208 1.00 61.03 C ATOM 672 O MET A 187 -0.230 6.355 15.143 1.00 12.40 O ATOM 673 CB MET A 187 2.095 7.141 13.179 1.00 30.53 C ATOM 674 CG MET A 187 1.424 7.245 11.815 1.00 31.13 C ATOM 675 SD MET A 187 1.703 8.841 11.020 1.00 44.20 S ATOM 676 CE MET A 187 3.490 8.850 10.880 1.00 4.24 C ATOM 0 H MET A 187 2.683 4.897 12.275 1.00 54.44 H new ATOM 0 HA MET A 187 2.299 5.851 14.898 1.00 51.20 H new ATOM 0 HB2 MET A 187 1.780 7.986 13.791 1.00 30.53 H new ATOM 0 HB3 MET A 187 3.174 7.227 13.048 1.00 30.53 H new ATOM 0 HG2 MET A 187 1.799 6.452 11.169 1.00 31.13 H new ATOM 0 HG3 MET A 187 0.352 7.083 11.929 1.00 31.13 H new ATOM 0 HE1 MET A 187 3.776 9.207 9.890 1.00 4.24 H new ATOM 0 HE2 MET A 187 3.911 9.509 11.639 1.00 4.24 H new ATOM 0 HE3 MET A 187 3.871 7.839 11.026 1.00 4.24 H new ATOM 686 N ARG A 188 -0.439 4.958 13.391 1.00 13.13 N ATOM 687 CA ARG A 188 -1.896 4.820 13.543 1.00 44.44 C ATOM 688 C ARG A 188 -2.283 3.502 14.242 1.00 4.02 C ATOM 689 O ARG A 188 -3.466 3.222 14.438 1.00 73.03 O ATOM 690 CB ARG A 188 -2.593 4.918 12.176 1.00 64.14 C ATOM 691 CG ARG A 188 -2.247 6.189 11.401 1.00 4.33 C ATOM 692 CD ARG A 188 -3.205 6.435 10.236 1.00 23.31 C ATOM 693 NE ARG A 188 -4.545 6.788 10.706 1.00 62.25 N ATOM 694 CZ ARG A 188 -5.489 7.291 9.960 1.00 33.13 C ATOM 695 NH1 ARG A 188 -5.318 7.458 8.687 1.00 54.54 N ATOM 696 NH2 ARG A 188 -6.618 7.623 10.496 1.00 53.12 N ATOM 0 H ARG A 188 -0.041 4.417 12.623 1.00 13.13 H new ATOM 0 HA ARG A 188 -2.232 5.641 14.177 1.00 44.44 H new ATOM 0 HB2 ARG A 188 -2.319 4.051 11.575 1.00 64.14 H new ATOM 0 HB3 ARG A 188 -3.672 4.875 12.324 1.00 64.14 H new ATOM 0 HG2 ARG A 188 -2.274 7.043 12.077 1.00 4.33 H new ATOM 0 HG3 ARG A 188 -1.228 6.115 11.021 1.00 4.33 H new ATOM 0 HD2 ARG A 188 -2.816 7.236 9.608 1.00 23.31 H new ATOM 0 HD3 ARG A 188 -3.260 5.541 9.615 1.00 23.31 H new ATOM 0 HE ARG A 188 -4.757 6.629 11.691 1.00 62.25 H new ATOM 0 HH11 ARG A 188 -4.434 7.195 8.252 1.00 54.54 H new ATOM 0 HH12 ARG A 188 -6.068 7.853 8.119 1.00 54.54 H new ATOM 0 HH21 ARG A 188 -6.766 7.491 11.497 1.00 53.12 H new ATOM 0 HH22 ARG A 188 -7.361 8.017 9.918 1.00 53.12 H new ATOM 710 N GLY A 189 -1.286 2.697 14.606 1.00 32.11 N ATOM 711 CA GLY A 189 -1.542 1.470 15.363 1.00 61.42 C ATOM 712 C GLY A 189 -1.809 0.244 14.491 1.00 63.33 C ATOM 713 O GLY A 189 -2.441 -0.716 14.932 1.00 65.22 O ATOM 0 H GLY A 189 -0.303 2.868 14.393 1.00 32.11 H new ATOM 0 HA2 GLY A 189 -0.685 1.266 16.005 1.00 61.42 H new ATOM 0 HA3 GLY A 189 -2.399 1.631 16.017 1.00 61.42 H new ATOM 717 N LEU A 190 -1.324 0.268 13.252 1.00 54.32 N ATOM 718 CA LEU A 190 -1.501 -0.858 12.325 1.00 55.02 C ATOM 719 C LEU A 190 -0.157 -1.539 12.008 1.00 42.34 C ATOM 720 O LEU A 190 0.888 -0.892 11.989 1.00 71.40 O ATOM 721 CB LEU A 190 -2.156 -0.374 11.022 1.00 42.13 C ATOM 722 CG LEU A 190 -3.544 0.273 11.179 1.00 41.43 C ATOM 723 CD1 LEU A 190 -4.037 0.832 9.847 1.00 20.24 C ATOM 724 CD2 LEU A 190 -4.549 -0.727 11.746 1.00 50.23 C ATOM 0 H LEU A 190 -0.804 1.054 12.862 1.00 54.32 H new ATOM 0 HA LEU A 190 -2.149 -1.589 12.809 1.00 55.02 H new ATOM 0 HB2 LEU A 190 -1.490 0.346 10.547 1.00 42.13 H new ATOM 0 HB3 LEU A 190 -2.244 -1.222 10.343 1.00 42.13 H new ATOM 0 HG LEU A 190 -3.451 1.100 11.883 1.00 41.43 H new ATOM 0 HD11 LEU A 190 -5.019 1.284 9.983 1.00 20.24 H new ATOM 0 HD12 LEU A 190 -3.337 1.587 9.488 1.00 20.24 H new ATOM 0 HD13 LEU A 190 -4.107 0.025 9.117 1.00 20.24 H new ATOM 0 HD21 LEU A 190 -5.522 -0.247 11.848 1.00 50.23 H new ATOM 0 HD22 LEU A 190 -4.634 -1.579 11.072 1.00 50.23 H new ATOM 0 HD23 LEU A 190 -4.209 -1.070 12.723 1.00 50.23 H new ATOM 736 N ILE A 191 -0.193 -2.850 11.763 1.00 34.31 N ATOM 737 CA ILE A 191 1.010 -3.611 11.387 1.00 73.32 C ATOM 738 C ILE A 191 0.794 -4.363 10.057 1.00 64.40 C ATOM 739 O ILE A 191 -0.329 -4.769 9.744 1.00 62.21 O ATOM 740 CB ILE A 191 1.415 -4.626 12.496 1.00 14.05 C ATOM 741 CG1 ILE A 191 0.270 -5.615 12.778 1.00 65.13 C ATOM 742 CG2 ILE A 191 1.825 -3.890 13.774 1.00 12.13 C ATOM 743 CD1 ILE A 191 0.608 -6.658 13.825 1.00 1.22 C ATOM 0 H ILE A 191 -1.042 -3.412 11.817 1.00 34.31 H new ATOM 0 HA ILE A 191 1.818 -2.890 11.264 1.00 73.32 H new ATOM 0 HB ILE A 191 2.273 -5.197 12.140 1.00 14.05 H new ATOM 0 HG12 ILE A 191 -0.608 -5.057 13.104 1.00 65.13 H new ATOM 0 HG13 ILE A 191 0.001 -6.119 11.850 1.00 65.13 H new ATOM 0 HG21 ILE A 191 2.105 -4.616 14.538 1.00 12.13 H new ATOM 0 HG22 ILE A 191 2.674 -3.240 13.563 1.00 12.13 H new ATOM 0 HG23 ILE A 191 0.989 -3.290 14.133 1.00 12.13 H new ATOM 0 HD11 ILE A 191 -0.247 -7.319 13.970 1.00 1.22 H new ATOM 0 HD12 ILE A 191 1.466 -7.242 13.493 1.00 1.22 H new ATOM 0 HD13 ILE A 191 0.848 -6.164 14.766 1.00 1.22 H new ATOM 755 N PRO A 192 1.863 -4.554 9.251 1.00 54.40 N ATOM 756 CA PRO A 192 1.769 -5.242 7.943 1.00 5.25 C ATOM 757 C PRO A 192 1.129 -6.639 8.028 1.00 24.32 C ATOM 758 O PRO A 192 0.358 -7.032 7.155 1.00 34.11 O ATOM 759 CB PRO A 192 3.232 -5.342 7.490 1.00 24.51 C ATOM 760 CG PRO A 192 3.919 -4.221 8.195 1.00 61.31 C ATOM 761 CD PRO A 192 3.242 -4.108 9.533 1.00 52.04 C ATOM 0 HA PRO A 192 1.125 -4.697 7.253 1.00 5.25 H new ATOM 0 HB2 PRO A 192 3.666 -6.305 7.759 1.00 24.51 H new ATOM 0 HB3 PRO A 192 3.320 -5.244 6.408 1.00 24.51 H new ATOM 0 HG2 PRO A 192 4.984 -4.425 8.311 1.00 61.31 H new ATOM 0 HG3 PRO A 192 3.832 -3.292 7.632 1.00 61.31 H new ATOM 0 HD2 PRO A 192 3.723 -4.736 10.282 1.00 52.04 H new ATOM 0 HD3 PRO A 192 3.265 -3.086 9.911 1.00 52.04 H new ATOM 769 N GLU A 193 1.451 -7.384 9.084 1.00 62.35 N ATOM 770 CA GLU A 193 0.875 -8.720 9.311 1.00 5.52 C ATOM 771 C GLU A 193 -0.659 -8.665 9.451 1.00 11.44 C ATOM 772 O GLU A 193 -1.354 -9.648 9.191 1.00 74.43 O ATOM 773 CB GLU A 193 1.493 -9.353 10.572 1.00 33.52 C ATOM 774 CG GLU A 193 2.929 -9.856 10.397 1.00 71.45 C ATOM 775 CD GLU A 193 3.892 -8.796 9.881 1.00 21.20 C ATOM 776 OE1 GLU A 193 3.910 -7.677 10.436 1.00 41.33 O ATOM 777 OE2 GLU A 193 4.642 -9.081 8.922 1.00 42.23 O ATOM 0 H GLU A 193 2.111 -7.088 9.803 1.00 62.35 H new ATOM 0 HA GLU A 193 1.109 -9.333 8.441 1.00 5.52 H new ATOM 0 HB2 GLU A 193 1.475 -8.618 11.377 1.00 33.52 H new ATOM 0 HB3 GLU A 193 0.866 -10.187 10.888 1.00 33.52 H new ATOM 0 HG2 GLU A 193 3.293 -10.229 11.354 1.00 71.45 H new ATOM 0 HG3 GLU A 193 2.927 -10.699 9.706 1.00 71.45 H new ATOM 784 N CYS A 194 -1.178 -7.511 9.860 1.00 61.35 N ATOM 785 CA CYS A 194 -2.625 -7.324 10.041 1.00 21.52 C ATOM 786 C CYS A 194 -3.286 -6.730 8.788 1.00 72.44 C ATOM 787 O CYS A 194 -4.506 -6.569 8.735 1.00 31.11 O ATOM 788 CB CYS A 194 -2.891 -6.409 11.246 1.00 53.54 C ATOM 789 SG CYS A 194 -4.631 -5.989 11.503 1.00 14.11 S ATOM 0 H CYS A 194 -0.620 -6.684 10.075 1.00 61.35 H new ATOM 0 HA CYS A 194 -3.062 -8.306 10.218 1.00 21.52 H new ATOM 0 HB2 CYS A 194 -2.511 -6.895 12.145 1.00 53.54 H new ATOM 0 HB3 CYS A 194 -2.323 -5.487 11.118 1.00 53.54 H new ATOM 0 HG CYS A 194 -5.274 -6.098 10.379 1.00 14.11 H new ATOM 795 N CYS A 195 -2.484 -6.433 7.769 1.00 3.25 N ATOM 796 CA CYS A 195 -2.971 -5.719 6.583 1.00 3.41 C ATOM 797 C CYS A 195 -2.598 -6.445 5.280 1.00 72.12 C ATOM 798 O CYS A 195 -1.493 -6.968 5.141 1.00 14.22 O ATOM 799 CB CYS A 195 -2.392 -4.299 6.571 1.00 35.51 C ATOM 800 SG CYS A 195 -2.797 -3.320 8.037 1.00 35.10 S ATOM 0 H CYS A 195 -1.493 -6.674 7.737 1.00 3.25 H new ATOM 0 HA CYS A 195 -4.059 -5.682 6.637 1.00 3.41 H new ATOM 0 HB2 CYS A 195 -1.308 -4.362 6.478 1.00 35.51 H new ATOM 0 HB3 CYS A 195 -2.758 -3.777 5.687 1.00 35.51 H new ATOM 0 HG CYS A 195 -1.971 -3.614 8.997 1.00 35.10 H new ATOM 806 N ALA A 196 -3.527 -6.473 4.326 1.00 54.22 N ATOM 807 CA ALA A 196 -3.288 -7.106 3.020 1.00 41.33 C ATOM 808 C ALA A 196 -3.437 -6.097 1.874 1.00 71.22 C ATOM 809 O ALA A 196 -4.506 -5.521 1.680 1.00 14.23 O ATOM 810 CB ALA A 196 -4.246 -8.272 2.816 1.00 62.34 C ATOM 0 H ALA A 196 -4.456 -6.065 4.429 1.00 54.22 H new ATOM 0 HA ALA A 196 -2.263 -7.478 3.012 1.00 41.33 H new ATOM 0 HB1 ALA A 196 -4.058 -8.732 1.846 1.00 62.34 H new ATOM 0 HB2 ALA A 196 -4.093 -9.011 3.603 1.00 62.34 H new ATOM 0 HB3 ALA A 196 -5.273 -7.910 2.853 1.00 62.34 H new ATOM 816 N VAL A 197 -2.369 -5.901 1.109 1.00 71.30 N ATOM 817 CA VAL A 197 -2.373 -4.945 -0.003 1.00 23.21 C ATOM 818 C VAL A 197 -2.690 -5.636 -1.338 1.00 21.22 C ATOM 819 O VAL A 197 -2.021 -6.592 -1.727 1.00 33.24 O ATOM 820 CB VAL A 197 -1.008 -4.218 -0.126 1.00 21.52 C ATOM 821 CG1 VAL A 197 -1.011 -3.237 -1.297 1.00 20.52 C ATOM 822 CG2 VAL A 197 -0.657 -3.505 1.179 1.00 61.41 C ATOM 0 H VAL A 197 -1.484 -6.392 1.236 1.00 71.30 H new ATOM 0 HA VAL A 197 -3.152 -4.215 0.216 1.00 23.21 H new ATOM 0 HB VAL A 197 -0.243 -4.969 -0.322 1.00 21.52 H new ATOM 0 HG11 VAL A 197 -0.042 -2.742 -1.359 1.00 20.52 H new ATOM 0 HG12 VAL A 197 -1.203 -3.777 -2.224 1.00 20.52 H new ATOM 0 HG13 VAL A 197 -1.791 -2.491 -1.144 1.00 20.52 H new ATOM 0 HG21 VAL A 197 0.304 -3.002 1.072 1.00 61.41 H new ATOM 0 HG22 VAL A 197 -1.428 -2.770 1.411 1.00 61.41 H new ATOM 0 HG23 VAL A 197 -0.596 -4.234 1.987 1.00 61.41 H new ATOM 832 N TYR A 198 -3.715 -5.158 -2.036 1.00 61.40 N ATOM 833 CA TYR A 198 -4.031 -5.669 -3.373 1.00 61.42 C ATOM 834 C TYR A 198 -4.357 -4.526 -4.348 1.00 12.44 C ATOM 835 O TYR A 198 -4.781 -3.438 -3.946 1.00 74.00 O ATOM 836 CB TYR A 198 -5.189 -6.680 -3.323 1.00 51.22 C ATOM 837 CG TYR A 198 -6.557 -6.068 -3.082 1.00 32.24 C ATOM 838 CD1 TYR A 198 -7.354 -5.664 -4.149 1.00 15.02 C ATOM 839 CD2 TYR A 198 -7.056 -5.900 -1.795 1.00 23.21 C ATOM 840 CE1 TYR A 198 -8.599 -5.112 -3.940 1.00 42.03 C ATOM 841 CE2 TYR A 198 -8.306 -5.350 -1.581 1.00 62.41 C ATOM 842 CZ TYR A 198 -9.071 -4.958 -2.657 1.00 2.11 C ATOM 843 OH TYR A 198 -10.319 -4.416 -2.453 1.00 24.14 O ATOM 0 H TYR A 198 -4.339 -4.423 -1.705 1.00 61.40 H new ATOM 0 HA TYR A 198 -3.143 -6.184 -3.741 1.00 61.42 H new ATOM 0 HB2 TYR A 198 -5.213 -7.231 -4.263 1.00 51.22 H new ATOM 0 HB3 TYR A 198 -4.986 -7.405 -2.534 1.00 51.22 H new ATOM 0 HD1 TYR A 198 -6.990 -5.785 -5.159 1.00 15.02 H new ATOM 0 HD2 TYR A 198 -6.457 -6.204 -0.949 1.00 23.21 H new ATOM 0 HE1 TYR A 198 -9.202 -4.801 -4.780 1.00 42.03 H new ATOM 0 HE2 TYR A 198 -8.681 -5.228 -0.575 1.00 62.41 H new ATOM 0 HH TYR A 198 -10.505 -4.376 -1.492 1.00 24.14 H new ATOM 853 N ARG A 199 -4.162 -4.789 -5.633 1.00 51.21 N ATOM 854 CA ARG A 199 -4.397 -3.800 -6.686 1.00 14.20 C ATOM 855 C ARG A 199 -5.627 -4.160 -7.528 1.00 71.53 C ATOM 856 O ARG A 199 -5.789 -5.306 -7.947 1.00 43.13 O ATOM 857 CB ARG A 199 -3.163 -3.711 -7.596 1.00 23.32 C ATOM 858 CG ARG A 199 -2.752 -5.057 -8.199 1.00 63.34 C ATOM 859 CD ARG A 199 -1.525 -4.940 -9.097 1.00 30.13 C ATOM 860 NE ARG A 199 -1.787 -4.123 -10.281 1.00 43.43 N ATOM 861 CZ ARG A 199 -1.347 -2.906 -10.441 1.00 62.03 C ATOM 862 NH1 ARG A 199 -0.612 -2.356 -9.534 1.00 20.12 N ATOM 863 NH2 ARG A 199 -1.632 -2.240 -11.509 1.00 12.03 N ATOM 0 H ARG A 199 -3.837 -5.692 -5.979 1.00 51.21 H new ATOM 0 HA ARG A 199 -4.580 -2.837 -6.209 1.00 14.20 H new ATOM 0 HB2 ARG A 199 -3.366 -3.007 -8.403 1.00 23.32 H new ATOM 0 HB3 ARG A 199 -2.328 -3.308 -7.024 1.00 23.32 H new ATOM 0 HG2 ARG A 199 -2.545 -5.764 -7.396 1.00 63.34 H new ATOM 0 HG3 ARG A 199 -3.583 -5.463 -8.775 1.00 63.34 H new ATOM 0 HD2 ARG A 199 -0.702 -4.504 -8.531 1.00 30.13 H new ATOM 0 HD3 ARG A 199 -1.207 -5.935 -9.407 1.00 30.13 H new ATOM 0 HE ARG A 199 -2.349 -4.530 -11.028 1.00 43.43 H new ATOM 0 HH11 ARG A 199 -0.373 -2.873 -8.688 1.00 20.12 H new ATOM 0 HH12 ARG A 199 -0.270 -1.404 -9.663 1.00 20.12 H new ATOM 0 HH21 ARG A 199 -2.206 -2.665 -12.237 1.00 12.03 H new ATOM 0 HH22 ARG A 199 -1.283 -1.289 -11.625 1.00 12.03 H new ATOM 877 N ILE A 200 -6.497 -3.185 -7.770 1.00 70.23 N ATOM 878 CA ILE A 200 -7.625 -3.388 -8.675 1.00 3.14 C ATOM 879 C ILE A 200 -7.219 -3.024 -10.108 1.00 53.45 C ATOM 880 O ILE A 200 -7.305 -1.867 -10.527 1.00 33.40 O ATOM 881 CB ILE A 200 -8.868 -2.572 -8.242 1.00 62.13 C ATOM 882 CG1 ILE A 200 -9.262 -2.947 -6.801 1.00 51.41 C ATOM 883 CG2 ILE A 200 -10.034 -2.817 -9.206 1.00 31.22 C ATOM 884 CD1 ILE A 200 -10.503 -2.244 -6.294 1.00 61.00 C ATOM 0 H ILE A 200 -6.445 -2.254 -7.357 1.00 70.23 H new ATOM 0 HA ILE A 200 -7.899 -4.442 -8.634 1.00 3.14 H new ATOM 0 HB ILE A 200 -8.624 -1.510 -8.273 1.00 62.13 H new ATOM 0 HG12 ILE A 200 -9.421 -4.024 -6.748 1.00 51.41 H new ATOM 0 HG13 ILE A 200 -8.430 -2.715 -6.137 1.00 51.41 H new ATOM 0 HG21 ILE A 200 -10.899 -2.236 -8.886 1.00 31.22 H new ATOM 0 HG22 ILE A 200 -9.744 -2.513 -10.212 1.00 31.22 H new ATOM 0 HG23 ILE A 200 -10.289 -3.877 -9.206 1.00 31.22 H new ATOM 0 HD11 ILE A 200 -10.711 -2.564 -5.273 1.00 61.00 H new ATOM 0 HD12 ILE A 200 -10.343 -1.166 -6.311 1.00 61.00 H new ATOM 0 HD13 ILE A 200 -11.350 -2.495 -6.932 1.00 61.00 H new ATOM 896 N GLN A 201 -6.748 -4.025 -10.842 1.00 1.13 N ATOM 897 CA GLN A 201 -6.185 -3.825 -12.183 1.00 53.15 C ATOM 898 C GLN A 201 -7.045 -4.504 -13.258 1.00 10.44 C ATOM 899 O GLN A 201 -7.304 -5.707 -13.186 1.00 44.33 O ATOM 900 CB GLN A 201 -4.755 -4.382 -12.213 1.00 5.43 C ATOM 901 CG GLN A 201 -4.038 -4.229 -13.549 1.00 63.52 C ATOM 902 CD GLN A 201 -2.607 -4.732 -13.488 1.00 31.44 C ATOM 903 OE1 GLN A 201 -2.293 -5.646 -12.735 1.00 34.13 O ATOM 904 NE2 GLN A 201 -1.725 -4.126 -14.255 1.00 71.24 N ATOM 0 H GLN A 201 -6.743 -4.996 -10.531 1.00 1.13 H new ATOM 0 HA GLN A 201 -6.171 -2.757 -12.403 1.00 53.15 H new ATOM 0 HB2 GLN A 201 -4.169 -3.881 -11.442 1.00 5.43 H new ATOM 0 HB3 GLN A 201 -4.787 -5.440 -11.952 1.00 5.43 H new ATOM 0 HG2 GLN A 201 -4.583 -4.778 -14.317 1.00 63.52 H new ATOM 0 HG3 GLN A 201 -4.041 -3.180 -13.844 1.00 63.52 H new ATOM 0 HE21 GLN A 201 -2.020 -3.368 -14.871 1.00 71.24 H new ATOM 0 HE22 GLN A 201 -0.747 -4.414 -14.233 1.00 71.24 H new ATOM 913 N ASP A 202 -7.489 -3.721 -14.246 1.00 4.32 N ATOM 914 CA ASP A 202 -8.348 -4.228 -15.328 1.00 61.43 C ATOM 915 C ASP A 202 -9.695 -4.742 -14.767 1.00 43.42 C ATOM 916 O ASP A 202 -10.437 -5.462 -15.439 1.00 11.24 O ATOM 917 CB ASP A 202 -7.600 -5.329 -16.102 1.00 43.52 C ATOM 918 CG ASP A 202 -8.308 -5.753 -17.379 1.00 23.14 C ATOM 919 OD1 ASP A 202 -8.394 -4.931 -18.313 1.00 52.01 O ATOM 920 OD2 ASP A 202 -8.760 -6.913 -17.463 1.00 34.30 O ATOM 0 H ASP A 202 -7.268 -2.728 -14.321 1.00 4.32 H new ATOM 0 HA ASP A 202 -8.578 -3.415 -16.017 1.00 61.43 H new ATOM 0 HB2 ASP A 202 -6.600 -4.974 -16.350 1.00 43.52 H new ATOM 0 HB3 ASP A 202 -7.478 -6.199 -15.456 1.00 43.52 H new ATOM 925 N GLY A 203 -10.019 -4.331 -13.539 1.00 31.43 N ATOM 926 CA GLY A 203 -11.242 -4.783 -12.879 1.00 31.30 C ATOM 927 C GLY A 203 -11.031 -5.999 -11.973 1.00 65.42 C ATOM 928 O GLY A 203 -11.958 -6.438 -11.289 1.00 34.43 O ATOM 0 H GLY A 203 -9.453 -3.689 -12.985 1.00 31.43 H new ATOM 0 HA2 GLY A 203 -11.650 -3.964 -12.286 1.00 31.30 H new ATOM 0 HA3 GLY A 203 -11.985 -5.029 -13.637 1.00 31.30 H new ATOM 932 N GLU A 204 -9.814 -6.545 -11.964 1.00 45.21 N ATOM 933 CA GLU A 204 -9.497 -7.738 -11.162 1.00 34.45 C ATOM 934 C GLU A 204 -8.736 -7.381 -9.873 1.00 53.14 C ATOM 935 O GLU A 204 -7.854 -6.519 -9.879 1.00 15.10 O ATOM 936 CB GLU A 204 -8.653 -8.721 -11.991 1.00 52.12 C ATOM 937 CG GLU A 204 -9.333 -9.210 -13.262 1.00 24.13 C ATOM 938 CD GLU A 204 -8.442 -10.137 -14.075 1.00 55.10 C ATOM 939 OE1 GLU A 204 -8.405 -11.348 -13.779 1.00 41.21 O ATOM 940 OE2 GLU A 204 -7.761 -9.655 -15.006 1.00 5.43 O ATOM 0 H GLU A 204 -9.027 -6.183 -12.503 1.00 45.21 H new ATOM 0 HA GLU A 204 -10.444 -8.199 -10.881 1.00 34.45 H new ATOM 0 HB2 GLU A 204 -7.712 -8.239 -12.258 1.00 52.12 H new ATOM 0 HB3 GLU A 204 -8.405 -9.582 -11.371 1.00 52.12 H new ATOM 0 HG2 GLU A 204 -10.254 -9.732 -13.001 1.00 24.13 H new ATOM 0 HG3 GLU A 204 -9.615 -8.353 -13.873 1.00 24.13 H new ATOM 947 N LYS A 205 -9.072 -8.057 -8.771 1.00 42.34 N ATOM 948 CA LYS A 205 -8.329 -7.904 -7.514 1.00 75.52 C ATOM 949 C LYS A 205 -7.066 -8.780 -7.516 1.00 22.24 C ATOM 950 O LYS A 205 -7.147 -10.000 -7.380 1.00 13.33 O ATOM 951 CB LYS A 205 -9.204 -8.276 -6.305 1.00 74.04 C ATOM 952 CG LYS A 205 -10.313 -7.275 -5.997 1.00 73.24 C ATOM 953 CD LYS A 205 -11.039 -7.637 -4.699 1.00 1.53 C ATOM 954 CE LYS A 205 -12.025 -6.556 -4.265 1.00 43.05 C ATOM 955 NZ LYS A 205 -12.590 -6.829 -2.912 1.00 23.22 N ATOM 0 H LYS A 205 -9.851 -8.714 -8.722 1.00 42.34 H new ATOM 0 HA LYS A 205 -8.039 -6.856 -7.432 1.00 75.52 H new ATOM 0 HB2 LYS A 205 -9.653 -9.253 -6.484 1.00 74.04 H new ATOM 0 HB3 LYS A 205 -8.566 -8.374 -5.427 1.00 74.04 H new ATOM 0 HG2 LYS A 205 -9.890 -6.274 -5.913 1.00 73.24 H new ATOM 0 HG3 LYS A 205 -11.026 -7.252 -6.821 1.00 73.24 H new ATOM 0 HD2 LYS A 205 -11.572 -8.578 -4.834 1.00 1.53 H new ATOM 0 HD3 LYS A 205 -10.306 -7.796 -3.908 1.00 1.53 H new ATOM 0 HE2 LYS A 205 -11.524 -5.588 -4.260 1.00 43.05 H new ATOM 0 HE3 LYS A 205 -12.836 -6.492 -4.991 1.00 43.05 H new ATOM 0 HZ1 LYS A 205 -13.255 -6.072 -2.654 1.00 23.22 H new ATOM 0 HZ2 LYS A 205 -13.090 -7.741 -2.922 1.00 23.22 H new ATOM 0 HZ3 LYS A 205 -11.819 -6.865 -2.215 1.00 23.22 H new ATOM 969 N LYS A 206 -5.905 -8.157 -7.682 1.00 65.21 N ATOM 970 CA LYS A 206 -4.631 -8.891 -7.691 1.00 31.13 C ATOM 971 C LYS A 206 -3.813 -8.608 -6.417 1.00 20.33 C ATOM 972 O LYS A 206 -3.503 -7.457 -6.120 1.00 52.51 O ATOM 973 CB LYS A 206 -3.809 -8.526 -8.937 1.00 43.01 C ATOM 974 CG LYS A 206 -4.502 -8.873 -10.252 1.00 62.35 C ATOM 975 CD LYS A 206 -3.603 -8.606 -11.456 1.00 14.00 C ATOM 976 CE LYS A 206 -4.322 -8.882 -12.767 1.00 11.50 C ATOM 977 NZ LYS A 206 -3.432 -8.693 -13.942 1.00 74.23 N ATOM 0 H LYS A 206 -5.812 -7.150 -7.812 1.00 65.21 H new ATOM 0 HA LYS A 206 -4.862 -9.956 -7.717 1.00 31.13 H new ATOM 0 HB2 LYS A 206 -3.595 -7.457 -8.920 1.00 43.01 H new ATOM 0 HB3 LYS A 206 -2.851 -9.044 -8.894 1.00 43.01 H new ATOM 0 HG2 LYS A 206 -4.794 -9.923 -10.243 1.00 62.35 H new ATOM 0 HG3 LYS A 206 -5.417 -8.289 -10.345 1.00 62.35 H new ATOM 0 HD2 LYS A 206 -3.267 -7.569 -11.436 1.00 14.00 H new ATOM 0 HD3 LYS A 206 -2.712 -9.231 -11.391 1.00 14.00 H new ATOM 0 HE2 LYS A 206 -4.704 -9.903 -12.763 1.00 11.50 H new ATOM 0 HE3 LYS A 206 -5.183 -8.219 -12.854 1.00 11.50 H new ATOM 0 HZ1 LYS A 206 -3.962 -8.891 -14.814 1.00 74.23 H new ATOM 0 HZ2 LYS A 206 -3.087 -7.712 -13.962 1.00 74.23 H new ATOM 0 HZ3 LYS A 206 -2.623 -9.343 -13.873 1.00 74.23 H new ATOM 991 N PRO A 207 -3.447 -9.656 -5.651 1.00 0.34 N ATOM 992 CA PRO A 207 -2.703 -9.494 -4.384 1.00 60.32 C ATOM 993 C PRO A 207 -1.255 -9.004 -4.580 1.00 31.20 C ATOM 994 O PRO A 207 -0.582 -9.384 -5.537 1.00 73.23 O ATOM 995 CB PRO A 207 -2.719 -10.909 -3.788 1.00 44.53 C ATOM 996 CG PRO A 207 -2.854 -11.814 -4.967 1.00 1.20 C ATOM 997 CD PRO A 207 -3.721 -11.077 -5.952 1.00 61.13 C ATOM 0 HA PRO A 207 -3.157 -8.734 -3.748 1.00 60.32 H new ATOM 0 HB2 PRO A 207 -1.804 -11.115 -3.233 1.00 44.53 H new ATOM 0 HB3 PRO A 207 -3.549 -11.037 -3.093 1.00 44.53 H new ATOM 0 HG2 PRO A 207 -1.879 -12.042 -5.398 1.00 1.20 H new ATOM 0 HG3 PRO A 207 -3.307 -12.764 -4.681 1.00 1.20 H new ATOM 0 HD2 PRO A 207 -3.463 -11.327 -6.981 1.00 61.13 H new ATOM 0 HD3 PRO A 207 -4.775 -11.320 -5.820 1.00 61.13 H new ATOM 1005 N ILE A 208 -0.783 -8.157 -3.663 1.00 64.25 N ATOM 1006 CA ILE A 208 0.583 -7.618 -3.719 1.00 3.35 C ATOM 1007 C ILE A 208 1.353 -7.943 -2.430 1.00 4.42 C ATOM 1008 O ILE A 208 0.775 -7.984 -1.343 1.00 53.32 O ATOM 1009 CB ILE A 208 0.570 -6.078 -3.924 1.00 70.01 C ATOM 1010 CG1 ILE A 208 -0.189 -5.710 -5.208 1.00 63.23 C ATOM 1011 CG2 ILE A 208 1.995 -5.514 -3.965 1.00 71.30 C ATOM 1012 CD1 ILE A 208 -0.232 -4.221 -5.484 1.00 14.11 C ATOM 0 H ILE A 208 -1.328 -7.826 -2.867 1.00 64.25 H new ATOM 0 HA ILE A 208 1.080 -8.088 -4.567 1.00 3.35 H new ATOM 0 HB ILE A 208 0.054 -5.632 -3.074 1.00 70.01 H new ATOM 0 HG12 ILE A 208 0.279 -6.214 -6.053 1.00 63.23 H new ATOM 0 HG13 ILE A 208 -1.209 -6.087 -5.137 1.00 63.23 H new ATOM 0 HG21 ILE A 208 1.955 -4.434 -4.109 1.00 71.30 H new ATOM 0 HG22 ILE A 208 2.501 -5.736 -3.026 1.00 71.30 H new ATOM 0 HG23 ILE A 208 2.543 -5.970 -4.789 1.00 71.30 H new ATOM 0 HD11 ILE A 208 -0.784 -4.038 -6.406 1.00 14.11 H new ATOM 0 HD12 ILE A 208 -0.727 -3.712 -4.657 1.00 14.11 H new ATOM 0 HD13 ILE A 208 0.784 -3.841 -5.588 1.00 14.11 H new ATOM 1024 N GLY A 209 2.656 -8.173 -2.553 1.00 3.52 N ATOM 1025 CA GLY A 209 3.484 -8.450 -1.387 1.00 52.32 C ATOM 1026 C GLY A 209 4.089 -7.186 -0.776 1.00 74.01 C ATOM 1027 O GLY A 209 4.471 -6.262 -1.495 1.00 73.20 O ATOM 0 H GLY A 209 3.157 -8.173 -3.441 1.00 3.52 H new ATOM 0 HA2 GLY A 209 2.884 -8.961 -0.634 1.00 52.32 H new ATOM 0 HA3 GLY A 209 4.287 -9.131 -1.670 1.00 52.32 H new ATOM 1031 N TRP A 210 4.191 -7.144 0.552 1.00 71.35 N ATOM 1032 CA TRP A 210 4.779 -5.992 1.249 1.00 64.52 C ATOM 1033 C TRP A 210 6.251 -5.773 0.845 1.00 25.05 C ATOM 1034 O TRP A 210 6.781 -4.664 0.943 1.00 23.34 O ATOM 1035 CB TRP A 210 4.663 -6.186 2.771 1.00 33.44 C ATOM 1036 CG TRP A 210 3.263 -6.038 3.292 1.00 51.22 C ATOM 1037 CD1 TRP A 210 2.367 -7.035 3.556 1.00 72.33 C ATOM 1038 CD2 TRP A 210 2.600 -4.810 3.607 1.00 4.02 C ATOM 1039 NE1 TRP A 210 1.191 -6.499 4.019 1.00 14.21 N ATOM 1040 CE2 TRP A 210 1.310 -5.134 4.059 1.00 41.31 C ATOM 1041 CE3 TRP A 210 2.976 -3.465 3.555 1.00 22.31 C ATOM 1042 CZ2 TRP A 210 0.394 -4.163 4.454 1.00 75.12 C ATOM 1043 CZ3 TRP A 210 2.069 -2.502 3.946 1.00 54.05 C ATOM 1044 CH2 TRP A 210 0.789 -2.853 4.390 1.00 42.41 C ATOM 0 H TRP A 210 3.875 -7.892 1.170 1.00 71.35 H new ATOM 0 HA TRP A 210 4.224 -5.101 0.956 1.00 64.52 H new ATOM 0 HB2 TRP A 210 5.036 -7.177 3.032 1.00 33.44 H new ATOM 0 HB3 TRP A 210 5.306 -5.462 3.271 1.00 33.44 H new ATOM 0 HD1 TRP A 210 2.556 -8.090 3.420 1.00 72.33 H new ATOM 0 HE1 TRP A 210 0.363 -7.030 4.289 1.00 14.21 H new ATOM 0 HE3 TRP A 210 3.961 -3.184 3.214 1.00 22.31 H new ATOM 0 HZ2 TRP A 210 -0.593 -4.433 4.799 1.00 75.12 H new ATOM 0 HZ3 TRP A 210 2.351 -1.460 3.909 1.00 54.05 H new ATOM 0 HH2 TRP A 210 0.100 -2.077 4.688 1.00 42.41 H new ATOM 1055 N ASP A 211 6.900 -6.837 0.377 1.00 10.31 N ATOM 1056 CA ASP A 211 8.299 -6.772 -0.060 1.00 74.21 C ATOM 1057 C ASP A 211 8.430 -6.353 -1.541 1.00 33.21 C ATOM 1058 O ASP A 211 9.538 -6.273 -2.074 1.00 51.10 O ATOM 1059 CB ASP A 211 8.965 -8.132 0.162 1.00 61.33 C ATOM 1060 CG ASP A 211 8.169 -9.260 -0.463 1.00 14.31 C ATOM 1061 OD1 ASP A 211 7.250 -9.784 0.205 1.00 41.32 O ATOM 1062 OD2 ASP A 211 8.441 -9.616 -1.627 1.00 23.33 O ATOM 0 H ASP A 211 6.479 -7.762 0.289 1.00 10.31 H new ATOM 0 HA ASP A 211 8.799 -6.008 0.535 1.00 74.21 H new ATOM 0 HB2 ASP A 211 9.969 -8.118 -0.262 1.00 61.33 H new ATOM 0 HB3 ASP A 211 9.073 -8.313 1.231 1.00 61.33 H new ATOM 1067 N THR A 212 7.303 -6.098 -2.203 1.00 41.41 N ATOM 1068 CA THR A 212 7.311 -5.649 -3.604 1.00 34.13 C ATOM 1069 C THR A 212 7.713 -4.170 -3.711 1.00 1.52 C ATOM 1070 O THR A 212 7.346 -3.359 -2.860 1.00 11.32 O ATOM 1071 CB THR A 212 5.924 -5.847 -4.273 1.00 31.25 C ATOM 1072 OG1 THR A 212 5.543 -7.230 -4.217 1.00 51.44 O ATOM 1073 CG2 THR A 212 5.934 -5.391 -5.728 1.00 20.51 C ATOM 0 H THR A 212 6.372 -6.193 -1.797 1.00 41.41 H new ATOM 0 HA THR A 212 8.047 -6.261 -4.126 1.00 34.13 H new ATOM 0 HB THR A 212 5.205 -5.239 -3.724 1.00 31.25 H new ATOM 0 HG1 THR A 212 5.073 -7.406 -3.375 1.00 51.44 H new ATOM 0 HG21 THR A 212 4.947 -5.544 -6.164 1.00 20.51 H new ATOM 0 HG22 THR A 212 6.191 -4.333 -5.776 1.00 20.51 H new ATOM 0 HG23 THR A 212 6.671 -5.969 -6.285 1.00 20.51 H new ATOM 1081 N ASP A 213 8.477 -3.820 -4.748 1.00 41.15 N ATOM 1082 CA ASP A 213 8.915 -2.433 -4.951 1.00 74.41 C ATOM 1083 C ASP A 213 7.722 -1.506 -5.272 1.00 54.31 C ATOM 1084 O ASP A 213 6.819 -1.872 -6.028 1.00 45.21 O ATOM 1085 CB ASP A 213 9.956 -2.372 -6.074 1.00 52.34 C ATOM 1086 CG ASP A 213 10.750 -1.076 -6.055 1.00 53.21 C ATOM 1087 OD1 ASP A 213 10.197 -0.024 -6.426 1.00 21.34 O ATOM 1088 OD2 ASP A 213 11.934 -1.108 -5.663 1.00 63.33 O ATOM 0 H ASP A 213 8.805 -4.473 -5.459 1.00 41.15 H new ATOM 0 HA ASP A 213 9.367 -2.081 -4.024 1.00 74.41 H new ATOM 0 HB2 ASP A 213 10.640 -3.216 -5.979 1.00 52.34 H new ATOM 0 HB3 ASP A 213 9.455 -2.475 -7.037 1.00 52.34 H new ATOM 1093 N ILE A 214 7.746 -0.297 -4.714 1.00 33.13 N ATOM 1094 CA ILE A 214 6.614 0.634 -4.808 1.00 63.52 C ATOM 1095 C ILE A 214 6.557 1.364 -6.170 1.00 3.24 C ATOM 1096 O ILE A 214 5.491 1.813 -6.598 1.00 2.44 O ATOM 1097 CB ILE A 214 6.666 1.672 -3.655 1.00 70.30 C ATOM 1098 CG1 ILE A 214 5.380 2.515 -3.619 1.00 1.12 C ATOM 1099 CG2 ILE A 214 7.899 2.566 -3.784 1.00 70.40 C ATOM 1100 CD1 ILE A 214 5.327 3.509 -2.476 1.00 1.54 C ATOM 0 H ILE A 214 8.541 0.066 -4.188 1.00 33.13 H new ATOM 0 HA ILE A 214 5.707 0.035 -4.721 1.00 63.52 H new ATOM 0 HB ILE A 214 6.740 1.128 -2.713 1.00 70.30 H new ATOM 0 HG12 ILE A 214 5.285 3.055 -4.561 1.00 1.12 H new ATOM 0 HG13 ILE A 214 4.522 1.847 -3.546 1.00 1.12 H new ATOM 0 HG21 ILE A 214 7.914 3.285 -2.965 1.00 70.40 H new ATOM 0 HG22 ILE A 214 8.799 1.952 -3.745 1.00 70.40 H new ATOM 0 HG23 ILE A 214 7.864 3.099 -4.734 1.00 70.40 H new ATOM 0 HD11 ILE A 214 4.390 4.064 -2.520 1.00 1.54 H new ATOM 0 HD12 ILE A 214 5.389 2.976 -1.527 1.00 1.54 H new ATOM 0 HD13 ILE A 214 6.164 4.203 -2.558 1.00 1.54 H new ATOM 1112 N SER A 215 7.699 1.460 -6.860 1.00 74.51 N ATOM 1113 CA SER A 215 7.770 2.174 -8.152 1.00 71.20 C ATOM 1114 C SER A 215 6.867 1.524 -9.216 1.00 23.51 C ATOM 1115 O SER A 215 6.476 2.168 -10.194 1.00 30.30 O ATOM 1116 CB SER A 215 9.214 2.224 -8.675 1.00 5.04 C ATOM 1117 OG SER A 215 9.696 0.927 -8.997 1.00 61.02 O ATOM 0 H SER A 215 8.584 1.057 -6.553 1.00 74.51 H new ATOM 0 HA SER A 215 7.415 3.188 -7.969 1.00 71.20 H new ATOM 0 HB2 SER A 215 9.260 2.860 -9.559 1.00 5.04 H new ATOM 0 HB3 SER A 215 9.859 2.677 -7.922 1.00 5.04 H new ATOM 0 HG SER A 215 9.925 0.449 -8.173 1.00 61.02 H new ATOM 1123 N TRP A 216 6.538 0.249 -9.017 1.00 31.11 N ATOM 1124 CA TRP A 216 5.641 -0.483 -9.924 1.00 61.40 C ATOM 1125 C TRP A 216 4.210 0.082 -9.892 1.00 74.51 C ATOM 1126 O TRP A 216 3.444 -0.074 -10.847 1.00 4.45 O ATOM 1127 CB TRP A 216 5.588 -1.965 -9.525 1.00 62.33 C ATOM 1128 CG TRP A 216 6.886 -2.704 -9.685 1.00 21.43 C ATOM 1129 CD1 TRP A 216 8.139 -2.270 -9.351 1.00 12.40 C ATOM 1130 CD2 TRP A 216 7.046 -4.031 -10.197 1.00 13.24 C ATOM 1131 NE1 TRP A 216 9.065 -3.244 -9.640 1.00 62.00 N ATOM 1132 CE2 TRP A 216 8.418 -4.333 -10.158 1.00 14.24 C ATOM 1133 CE3 TRP A 216 6.159 -4.991 -10.689 1.00 53.55 C ATOM 1134 CZ2 TRP A 216 8.923 -5.555 -10.590 1.00 14.20 C ATOM 1135 CZ3 TRP A 216 6.662 -6.204 -11.119 1.00 43.02 C ATOM 1136 CH2 TRP A 216 8.034 -6.476 -11.068 1.00 74.44 C ATOM 0 H TRP A 216 6.879 -0.306 -8.232 1.00 31.11 H new ATOM 0 HA TRP A 216 6.039 -0.370 -10.932 1.00 61.40 H new ATOM 0 HB2 TRP A 216 5.271 -2.036 -8.485 1.00 62.33 H new ATOM 0 HB3 TRP A 216 4.826 -2.462 -10.125 1.00 62.33 H new ATOM 0 HD1 TRP A 216 8.367 -1.305 -8.923 1.00 12.40 H new ATOM 0 HE1 TRP A 216 10.071 -3.167 -9.492 1.00 62.00 H new ATOM 0 HE3 TRP A 216 5.099 -4.789 -10.733 1.00 53.55 H new ATOM 0 HZ2 TRP A 216 9.981 -5.768 -10.549 1.00 14.20 H new ATOM 0 HZ3 TRP A 216 5.985 -6.954 -11.501 1.00 43.02 H new ATOM 0 HH2 TRP A 216 8.397 -7.433 -11.413 1.00 74.44 H new ATOM 1147 N LEU A 217 3.870 0.743 -8.785 1.00 30.30 N ATOM 1148 CA LEU A 217 2.489 1.155 -8.494 1.00 45.24 C ATOM 1149 C LEU A 217 2.298 2.680 -8.628 1.00 42.21 C ATOM 1150 O LEU A 217 1.355 3.255 -8.082 1.00 5.01 O ATOM 1151 CB LEU A 217 2.146 0.691 -7.070 1.00 14.12 C ATOM 1152 CG LEU A 217 2.538 -0.771 -6.762 1.00 22.25 C ATOM 1153 CD1 LEU A 217 2.331 -1.106 -5.290 1.00 70.15 C ATOM 1154 CD2 LEU A 217 1.754 -1.743 -7.642 1.00 74.10 C ATOM 0 H LEU A 217 4.540 1.009 -8.064 1.00 30.30 H new ATOM 0 HA LEU A 217 1.819 0.695 -9.220 1.00 45.24 H new ATOM 0 HB2 LEU A 217 2.647 1.346 -6.357 1.00 14.12 H new ATOM 0 HB3 LEU A 217 1.074 0.808 -6.912 1.00 14.12 H new ATOM 0 HG LEU A 217 3.599 -0.877 -6.986 1.00 22.25 H new ATOM 0 HD11 LEU A 217 2.617 -2.142 -5.109 1.00 70.15 H new ATOM 0 HD12 LEU A 217 2.946 -0.448 -4.677 1.00 70.15 H new ATOM 0 HD13 LEU A 217 1.282 -0.968 -5.030 1.00 70.15 H new ATOM 0 HD21 LEU A 217 2.048 -2.766 -7.406 1.00 74.10 H new ATOM 0 HD22 LEU A 217 0.687 -1.621 -7.458 1.00 74.10 H new ATOM 0 HD23 LEU A 217 1.967 -1.537 -8.691 1.00 74.10 H new ATOM 1166 N THR A 218 3.186 3.317 -9.384 1.00 53.11 N ATOM 1167 CA THR A 218 3.182 4.780 -9.549 1.00 21.20 C ATOM 1168 C THR A 218 1.923 5.297 -10.274 1.00 14.34 C ATOM 1169 O THR A 218 1.673 4.951 -11.432 1.00 21.12 O ATOM 1170 CB THR A 218 4.431 5.249 -10.338 1.00 51.23 C ATOM 1171 OG1 THR A 218 5.630 4.816 -9.676 1.00 74.24 O ATOM 1172 CG2 THR A 218 4.450 6.768 -10.494 1.00 73.31 C ATOM 0 H THR A 218 3.928 2.844 -9.900 1.00 53.11 H new ATOM 0 HA THR A 218 3.191 5.194 -8.541 1.00 21.20 H new ATOM 0 HB THR A 218 4.384 4.802 -11.331 1.00 51.23 H new ATOM 0 HG1 THR A 218 5.816 3.884 -9.914 1.00 74.24 H new ATOM 0 HG21 THR A 218 5.338 7.065 -11.052 1.00 73.31 H new ATOM 0 HG22 THR A 218 3.559 7.090 -11.033 1.00 73.31 H new ATOM 0 HG23 THR A 218 4.467 7.235 -9.509 1.00 73.31 H new ATOM 1180 N GLY A 219 1.136 6.129 -9.583 1.00 53.50 N ATOM 1181 CA GLY A 219 -0.015 6.793 -10.206 1.00 54.41 C ATOM 1182 C GLY A 219 -1.357 6.124 -9.912 1.00 74.15 C ATOM 1183 O GLY A 219 -2.404 6.776 -9.937 1.00 52.25 O ATOM 0 H GLY A 219 1.273 6.358 -8.599 1.00 53.50 H new ATOM 0 HA2 GLY A 219 -0.054 7.827 -9.863 1.00 54.41 H new ATOM 0 HA3 GLY A 219 0.136 6.821 -11.285 1.00 54.41 H new ATOM 1187 N GLU A 220 -1.332 4.827 -9.632 1.00 75.24 N ATOM 1188 CA GLU A 220 -2.562 4.056 -9.400 1.00 32.12 C ATOM 1189 C GLU A 220 -2.848 3.875 -7.899 1.00 60.43 C ATOM 1190 O GLU A 220 -2.036 4.246 -7.044 1.00 2.10 O ATOM 1191 CB GLU A 220 -2.468 2.702 -10.115 1.00 11.24 C ATOM 1192 CG GLU A 220 -1.197 1.918 -9.796 1.00 2.14 C ATOM 1193 CD GLU A 220 -0.958 0.743 -10.735 1.00 72.43 C ATOM 1194 OE1 GLU A 220 -1.757 0.535 -11.674 1.00 14.34 O ATOM 1195 OE2 GLU A 220 0.039 0.021 -10.547 1.00 44.45 O ATOM 0 H GLU A 220 -0.475 4.279 -9.558 1.00 75.24 H new ATOM 0 HA GLU A 220 -3.400 4.616 -9.814 1.00 32.12 H new ATOM 0 HB2 GLU A 220 -3.333 2.098 -9.842 1.00 11.24 H new ATOM 0 HB3 GLU A 220 -2.521 2.867 -11.191 1.00 11.24 H new ATOM 0 HG2 GLU A 220 -0.342 2.592 -9.845 1.00 2.14 H new ATOM 0 HG3 GLU A 220 -1.254 1.549 -8.772 1.00 2.14 H new ATOM 1202 N GLU A 221 -4.021 3.327 -7.581 1.00 35.11 N ATOM 1203 CA GLU A 221 -4.456 3.202 -6.185 1.00 34.35 C ATOM 1204 C GLU A 221 -4.469 1.748 -5.678 1.00 62.03 C ATOM 1205 O GLU A 221 -4.903 0.823 -6.368 1.00 43.20 O ATOM 1206 CB GLU A 221 -5.842 3.837 -6.002 1.00 24.43 C ATOM 1207 CG GLU A 221 -6.912 3.286 -6.936 1.00 50.30 C ATOM 1208 CD GLU A 221 -8.297 3.819 -6.616 1.00 22.41 C ATOM 1209 OE1 GLU A 221 -8.553 5.017 -6.865 1.00 50.52 O ATOM 1210 OE2 GLU A 221 -9.139 3.041 -6.117 1.00 33.22 O ATOM 0 H GLU A 221 -4.685 2.964 -8.265 1.00 35.11 H new ATOM 0 HA GLU A 221 -3.720 3.735 -5.583 1.00 34.35 H new ATOM 0 HB2 GLU A 221 -6.164 3.688 -4.971 1.00 24.43 H new ATOM 0 HB3 GLU A 221 -5.759 4.913 -6.158 1.00 24.43 H new ATOM 0 HG2 GLU A 221 -6.657 3.541 -7.965 1.00 50.30 H new ATOM 0 HG3 GLU A 221 -6.921 2.198 -6.870 1.00 50.30 H new ATOM 1217 N LEU A 222 -3.988 1.567 -4.449 1.00 21.14 N ATOM 1218 CA LEU A 222 -3.986 0.264 -3.782 1.00 14.11 C ATOM 1219 C LEU A 222 -5.118 0.181 -2.750 1.00 30.54 C ATOM 1220 O LEU A 222 -5.586 1.196 -2.242 1.00 74.33 O ATOM 1221 CB LEU A 222 -2.645 0.040 -3.073 1.00 42.31 C ATOM 1222 CG LEU A 222 -1.398 0.192 -3.954 1.00 22.13 C ATOM 1223 CD1 LEU A 222 -0.135 0.045 -3.110 1.00 61.50 C ATOM 1224 CD2 LEU A 222 -1.416 -0.825 -5.095 1.00 3.13 C ATOM 0 H LEU A 222 -3.589 2.319 -3.887 1.00 21.14 H new ATOM 0 HA LEU A 222 -4.137 -0.505 -4.539 1.00 14.11 H new ATOM 0 HB2 LEU A 222 -2.570 0.743 -2.244 1.00 42.31 H new ATOM 0 HB3 LEU A 222 -2.644 -0.961 -2.643 1.00 42.31 H new ATOM 0 HG LEU A 222 -1.402 1.189 -4.395 1.00 22.13 H new ATOM 0 HD11 LEU A 222 0.743 0.155 -3.747 1.00 61.50 H new ATOM 0 HD12 LEU A 222 -0.122 0.814 -2.338 1.00 61.50 H new ATOM 0 HD13 LEU A 222 -0.123 -0.939 -2.642 1.00 61.50 H new ATOM 0 HD21 LEU A 222 -0.523 -0.700 -5.708 1.00 3.13 H new ATOM 0 HD22 LEU A 222 -1.435 -1.834 -4.683 1.00 3.13 H new ATOM 0 HD23 LEU A 222 -2.303 -0.667 -5.709 1.00 3.13 H new ATOM 1236 N HIS A 223 -5.554 -1.032 -2.434 1.00 30.33 N ATOM 1237 CA HIS A 223 -6.578 -1.238 -1.405 1.00 63.11 C ATOM 1238 C HIS A 223 -6.097 -2.244 -0.354 1.00 40.54 C ATOM 1239 O HIS A 223 -5.647 -3.337 -0.692 1.00 64.13 O ATOM 1240 CB HIS A 223 -7.890 -1.706 -2.046 1.00 32.22 C ATOM 1241 CG HIS A 223 -8.543 -0.661 -2.897 1.00 31.32 C ATOM 1242 ND1 HIS A 223 -9.623 0.083 -2.473 1.00 14.31 N ATOM 1243 CD2 HIS A 223 -8.266 -0.229 -4.152 1.00 33.20 C ATOM 1244 CE1 HIS A 223 -9.980 0.924 -3.421 1.00 30.45 C ATOM 1245 NE2 HIS A 223 -9.173 0.758 -4.449 1.00 24.04 N ATOM 0 H HIS A 223 -5.218 -1.890 -2.872 1.00 30.33 H new ATOM 0 HA HIS A 223 -6.759 -0.288 -0.903 1.00 63.11 H new ATOM 0 HB2 HIS A 223 -7.694 -2.589 -2.655 1.00 32.22 H new ATOM 0 HB3 HIS A 223 -8.582 -2.008 -1.260 1.00 32.22 H new ATOM 0 HD2 HIS A 223 -7.480 -0.593 -4.797 1.00 33.20 H new ATOM 0 HE1 HIS A 223 -10.796 1.630 -3.365 1.00 30.45 H new ATOM 0 HE2 HIS A 223 -9.215 1.279 -5.325 1.00 24.04 H new ATOM 1254 N VAL A 224 -6.174 -1.853 0.915 1.00 2.04 N ATOM 1255 CA VAL A 224 -5.686 -2.689 2.015 1.00 10.42 C ATOM 1256 C VAL A 224 -6.837 -3.304 2.833 1.00 5.55 C ATOM 1257 O VAL A 224 -7.704 -2.589 3.338 1.00 52.34 O ATOM 1258 CB VAL A 224 -4.773 -1.871 2.961 1.00 35.35 C ATOM 1259 CG1 VAL A 224 -4.221 -2.749 4.079 1.00 55.35 C ATOM 1260 CG2 VAL A 224 -3.639 -1.210 2.180 1.00 41.52 C ATOM 0 H VAL A 224 -6.570 -0.961 1.211 1.00 2.04 H new ATOM 0 HA VAL A 224 -5.117 -3.500 1.561 1.00 10.42 H new ATOM 0 HB VAL A 224 -5.376 -1.085 3.417 1.00 35.35 H new ATOM 0 HG11 VAL A 224 -3.583 -2.151 4.730 1.00 55.35 H new ATOM 0 HG12 VAL A 224 -5.047 -3.161 4.659 1.00 55.35 H new ATOM 0 HG13 VAL A 224 -3.638 -3.563 3.648 1.00 55.35 H new ATOM 0 HG21 VAL A 224 -3.010 -0.640 2.864 1.00 41.52 H new ATOM 0 HG22 VAL A 224 -3.040 -1.977 1.689 1.00 41.52 H new ATOM 0 HG23 VAL A 224 -4.057 -0.540 1.429 1.00 41.52 H new ATOM 1270 N GLU A 225 -6.825 -4.632 2.962 1.00 14.22 N ATOM 1271 CA GLU A 225 -7.825 -5.360 3.762 1.00 42.35 C ATOM 1272 C GLU A 225 -7.265 -5.740 5.143 1.00 53.54 C ATOM 1273 O GLU A 225 -6.062 -5.643 5.388 1.00 14.31 O ATOM 1274 CB GLU A 225 -8.265 -6.634 3.022 1.00 23.41 C ATOM 1275 CG GLU A 225 -8.845 -6.384 1.634 1.00 13.43 C ATOM 1276 CD GLU A 225 -10.164 -5.621 1.655 1.00 31.31 C ATOM 1277 OE1 GLU A 225 -10.146 -4.382 1.799 1.00 54.23 O ATOM 1278 OE2 GLU A 225 -11.231 -6.260 1.519 1.00 23.44 O ATOM 0 H GLU A 225 -6.130 -5.234 2.521 1.00 14.22 H new ATOM 0 HA GLU A 225 -8.682 -4.702 3.905 1.00 42.35 H new ATOM 0 HB2 GLU A 225 -7.408 -7.301 2.930 1.00 23.41 H new ATOM 0 HB3 GLU A 225 -9.009 -7.152 3.626 1.00 23.41 H new ATOM 0 HG2 GLU A 225 -8.121 -5.825 1.041 1.00 13.43 H new ATOM 0 HG3 GLU A 225 -8.996 -7.341 1.134 1.00 13.43 H new ATOM 1285 N VAL A 226 -8.145 -6.192 6.035 1.00 24.31 N ATOM 1286 CA VAL A 226 -7.740 -6.601 7.386 1.00 0.04 C ATOM 1287 C VAL A 226 -7.513 -8.122 7.467 1.00 73.22 C ATOM 1288 O VAL A 226 -8.448 -8.906 7.313 1.00 3.32 O ATOM 1289 CB VAL A 226 -8.805 -6.193 8.436 1.00 44.32 C ATOM 1290 CG1 VAL A 226 -8.362 -6.581 9.849 1.00 32.50 C ATOM 1291 CG2 VAL A 226 -9.101 -4.696 8.353 1.00 63.01 C ATOM 0 H VAL A 226 -9.144 -6.286 5.850 1.00 24.31 H new ATOM 0 HA VAL A 226 -6.803 -6.089 7.604 1.00 0.04 H new ATOM 0 HB VAL A 226 -9.723 -6.736 8.211 1.00 44.32 H new ATOM 0 HG11 VAL A 226 -9.128 -6.283 10.565 1.00 32.50 H new ATOM 0 HG12 VAL A 226 -8.216 -7.660 9.901 1.00 32.50 H new ATOM 0 HG13 VAL A 226 -7.426 -6.077 10.088 1.00 32.50 H new ATOM 0 HG21 VAL A 226 -9.851 -4.432 9.098 1.00 63.01 H new ATOM 0 HG22 VAL A 226 -8.187 -4.133 8.542 1.00 63.01 H new ATOM 0 HG23 VAL A 226 -9.477 -4.454 7.359 1.00 63.01 H new ATOM 1301 N LEU A 227 -6.267 -8.532 7.703 1.00 45.34 N ATOM 1302 CA LEU A 227 -5.942 -9.953 7.900 1.00 15.51 C ATOM 1303 C LEU A 227 -6.252 -10.387 9.339 1.00 41.33 C ATOM 1304 O LEU A 227 -7.105 -11.243 9.578 1.00 70.35 O ATOM 1305 CB LEU A 227 -4.459 -10.218 7.588 1.00 12.14 C ATOM 1306 CG LEU A 227 -4.049 -10.030 6.118 1.00 71.40 C ATOM 1307 CD1 LEU A 227 -2.543 -10.226 5.945 1.00 73.31 C ATOM 1308 CD2 LEU A 227 -4.828 -10.988 5.217 1.00 54.32 C ATOM 0 H LEU A 227 -5.464 -7.905 7.763 1.00 45.34 H new ATOM 0 HA LEU A 227 -6.559 -10.535 7.215 1.00 15.51 H new ATOM 0 HB2 LEU A 227 -3.852 -9.555 8.204 1.00 12.14 H new ATOM 0 HB3 LEU A 227 -4.219 -11.239 7.886 1.00 12.14 H new ATOM 0 HG LEU A 227 -4.292 -9.009 5.823 1.00 71.40 H new ATOM 0 HD11 LEU A 227 -2.276 -10.088 4.897 1.00 73.31 H new ATOM 0 HD12 LEU A 227 -2.009 -9.497 6.554 1.00 73.31 H new ATOM 0 HD13 LEU A 227 -2.269 -11.233 6.260 1.00 73.31 H new ATOM 0 HD21 LEU A 227 -4.525 -10.840 4.181 1.00 54.32 H new ATOM 0 HD22 LEU A 227 -4.620 -12.016 5.513 1.00 54.32 H new ATOM 0 HD23 LEU A 227 -5.896 -10.791 5.314 1.00 54.32 H new