USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 Single : A 12 SER OG : rot 146:sc= -0.978 USER MOD Single : A 13 LYS NZ :NH3+ -127:sc=-0.000363 (180deg=-0.808) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -64:sc= 0.845 USER MOD Single : A 21 GLN : amide:sc= -0.908 K(o=-0.91,f=-1.9) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= -1.21 (180deg=-2.62!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.432 USER MOD Single : A 40 ASN : amide:sc= -0.588 K(o=-0.59,f=-4.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -130:sc= -0.123 (180deg=-0.643) USER MOD Single : A 64 ASN : amide:sc= 0.274 X(o=0.27,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.093) USER MOD Single : A 71 THR OG1 : rot 110:sc= -1.11 USER MOD Single : A 77 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.33) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.457 (180deg=-0.581) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 8.226 11.370 -6.592 1.00 45.14 N ATOM 84 CA ASP A 8 6.799 11.567 -6.815 1.00 12.43 C ATOM 85 C ASP A 8 6.264 12.698 -5.942 1.00 0.35 C ATOM 86 O ASP A 8 5.053 12.858 -5.790 1.00 25.25 O ATOM 87 CB ASP A 8 6.032 10.276 -6.524 1.00 44.12 C ATOM 88 CG ASP A 8 6.425 9.655 -5.198 1.00 44.41 C ATOM 89 OD1 ASP A 8 7.366 8.833 -5.183 1.00 12.43 O ATOM 90 OD2 ASP A 8 5.793 9.992 -4.175 1.00 44.33 O ATOM 0 HA ASP A 8 6.654 11.839 -7.861 1.00 12.43 H new ATOM 0 HB2 ASP A 8 4.962 10.485 -6.521 1.00 44.12 H new ATOM 0 HB3 ASP A 8 6.214 9.560 -7.325 1.00 44.12 H new ATOM 95 N GLU A 9 7.175 13.479 -5.370 1.00 3.24 N ATOM 96 CA GLU A 9 6.794 14.594 -4.510 1.00 61.31 C ATOM 97 C GLU A 9 6.969 15.925 -5.235 1.00 63.14 C ATOM 98 O GLU A 9 6.323 16.917 -4.898 1.00 54.03 O ATOM 99 CB GLU A 9 7.628 14.586 -3.227 1.00 61.22 C ATOM 100 CG GLU A 9 6.919 15.207 -2.036 1.00 55.51 C ATOM 101 CD GLU A 9 5.596 14.533 -1.728 1.00 12.01 C ATOM 102 OE1 GLU A 9 5.607 13.327 -1.405 1.00 30.34 O ATOM 103 OE2 GLU A 9 4.550 15.211 -1.810 1.00 63.40 O ATOM 0 H GLU A 9 8.181 13.361 -5.486 1.00 3.24 H new ATOM 0 HA GLU A 9 5.742 14.477 -4.251 1.00 61.31 H new ATOM 0 HB2 GLU A 9 7.895 13.558 -2.984 1.00 61.22 H new ATOM 0 HB3 GLU A 9 8.559 15.124 -3.406 1.00 61.22 H new ATOM 0 HG2 GLU A 9 7.566 15.146 -1.161 1.00 55.51 H new ATOM 0 HG3 GLU A 9 6.746 16.265 -2.232 1.00 55.51 H new ATOM 110 N ILE A 10 7.848 15.938 -6.232 1.00 22.32 N ATOM 111 CA ILE A 10 8.108 17.146 -7.005 1.00 23.31 C ATOM 112 C ILE A 10 6.893 17.538 -7.838 1.00 34.31 C ATOM 113 O ILE A 10 6.393 18.658 -7.737 1.00 53.32 O ATOM 114 CB ILE A 10 9.320 16.967 -7.938 1.00 61.34 C ATOM 115 CG1 ILE A 10 10.572 16.628 -7.126 1.00 13.51 C ATOM 116 CG2 ILE A 10 9.542 18.225 -8.765 1.00 23.51 C ATOM 117 CD1 ILE A 10 11.576 15.789 -7.884 1.00 72.03 C ATOM 0 H ILE A 10 8.392 15.126 -6.523 1.00 22.32 H new ATOM 0 HA ILE A 10 8.325 17.938 -6.289 1.00 23.31 H new ATOM 0 HB ILE A 10 9.117 16.140 -8.618 1.00 61.34 H new ATOM 0 HG12 ILE A 10 11.051 17.554 -6.809 1.00 13.51 H new ATOM 0 HG13 ILE A 10 10.276 16.096 -6.222 1.00 13.51 H new ATOM 0 HG21 ILE A 10 10.402 18.083 -9.419 1.00 23.51 H new ATOM 0 HG22 ILE A 10 8.656 18.425 -9.368 1.00 23.51 H new ATOM 0 HG23 ILE A 10 9.727 19.069 -8.101 1.00 23.51 H new ATOM 0 HD11 ILE A 10 12.437 15.588 -7.247 1.00 72.03 H new ATOM 0 HD12 ILE A 10 11.114 14.847 -8.178 1.00 72.03 H new ATOM 0 HD13 ILE A 10 11.902 16.327 -8.774 1.00 72.03 H new ATOM 129 N PHE A 11 6.420 16.606 -8.660 1.00 2.33 N ATOM 130 CA PHE A 11 5.262 16.854 -9.510 1.00 73.32 C ATOM 131 C PHE A 11 3.996 17.012 -8.673 1.00 30.52 C ATOM 132 O PHE A 11 3.079 17.743 -9.046 1.00 71.22 O ATOM 133 CB PHE A 11 5.085 15.711 -10.512 1.00 73.11 C ATOM 134 CG PHE A 11 4.262 14.571 -9.982 1.00 43.23 C ATOM 135 CD1 PHE A 11 4.784 13.705 -9.036 1.00 22.55 C ATOM 136 CD2 PHE A 11 2.967 14.367 -10.431 1.00 24.24 C ATOM 137 CE1 PHE A 11 4.030 12.655 -8.547 1.00 73.40 C ATOM 138 CE2 PHE A 11 2.208 13.319 -9.945 1.00 71.34 C ATOM 139 CZ PHE A 11 2.740 12.462 -9.002 1.00 13.24 C ATOM 0 H PHE A 11 6.821 15.673 -8.755 1.00 2.33 H new ATOM 0 HA PHE A 11 5.434 17.783 -10.054 1.00 73.32 H new ATOM 0 HB2 PHE A 11 4.614 16.100 -11.415 1.00 73.11 H new ATOM 0 HB3 PHE A 11 6.067 15.336 -10.801 1.00 73.11 H new ATOM 0 HD1 PHE A 11 5.792 13.852 -8.676 1.00 22.55 H new ATOM 0 HD2 PHE A 11 2.546 15.034 -11.169 1.00 24.24 H new ATOM 0 HE1 PHE A 11 4.449 11.986 -7.810 1.00 73.40 H new ATOM 0 HE2 PHE A 11 1.200 13.171 -10.303 1.00 71.34 H new ATOM 0 HZ PHE A 11 2.149 11.642 -8.621 1.00 13.24 H new ATOM 149 N SER A 12 3.954 16.320 -7.539 1.00 32.43 N ATOM 150 CA SER A 12 2.799 16.379 -6.650 1.00 25.34 C ATOM 151 C SER A 12 2.758 17.708 -5.901 1.00 74.43 C ATOM 152 O SER A 12 1.722 18.371 -5.847 1.00 32.13 O ATOM 153 CB SER A 12 2.838 15.220 -5.652 1.00 33.41 C ATOM 154 OG SER A 12 3.734 15.492 -4.588 1.00 72.53 O ATOM 0 H SER A 12 4.706 15.712 -7.214 1.00 32.43 H new ATOM 0 HA SER A 12 1.898 16.296 -7.258 1.00 25.34 H new ATOM 0 HB2 SER A 12 1.838 15.045 -5.254 1.00 33.41 H new ATOM 0 HB3 SER A 12 3.142 14.306 -6.163 1.00 33.41 H new ATOM 0 HG SER A 12 3.393 15.090 -3.762 1.00 72.53 H new ATOM 160 N LYS A 13 3.892 18.091 -5.325 1.00 71.21 N ATOM 161 CA LYS A 13 3.988 19.341 -4.580 1.00 62.52 C ATOM 162 C LYS A 13 3.670 20.534 -5.476 1.00 23.42 C ATOM 163 O LYS A 13 2.826 21.365 -5.143 1.00 12.13 O ATOM 164 CB LYS A 13 5.389 19.496 -3.984 1.00 11.03 C ATOM 165 CG LYS A 13 5.541 20.723 -3.101 1.00 23.41 C ATOM 166 CD LYS A 13 7.001 21.007 -2.788 1.00 72.40 C ATOM 167 CE LYS A 13 7.482 20.199 -1.592 1.00 52.30 C ATOM 168 NZ LYS A 13 7.959 18.846 -1.992 1.00 11.43 N ATOM 0 H LYS A 13 4.758 17.554 -5.360 1.00 71.21 H new ATOM 0 HA LYS A 13 3.257 19.311 -3.772 1.00 62.52 H new ATOM 0 HB2 LYS A 13 5.627 18.607 -3.400 1.00 11.03 H new ATOM 0 HB3 LYS A 13 6.116 19.549 -4.794 1.00 11.03 H new ATOM 0 HG2 LYS A 13 5.100 21.587 -3.598 1.00 23.41 H new ATOM 0 HG3 LYS A 13 4.991 20.574 -2.172 1.00 23.41 H new ATOM 0 HD2 LYS A 13 7.613 20.771 -3.658 1.00 72.40 H new ATOM 0 HD3 LYS A 13 7.131 22.070 -2.586 1.00 72.40 H new ATOM 0 HE2 LYS A 13 8.289 20.735 -1.092 1.00 52.30 H new ATOM 0 HE3 LYS A 13 6.671 20.100 -0.871 1.00 52.30 H new ATOM 0 HZ1 LYS A 13 7.472 18.124 -1.423 1.00 11.43 H new ATOM 0 HZ2 LYS A 13 7.754 18.689 -2.999 1.00 11.43 H new ATOM 0 HZ3 LYS A 13 8.985 18.778 -1.833 1.00 11.43 H new ATOM 182 N VAL A 14 4.351 20.611 -6.615 1.00 21.11 N ATOM 183 CA VAL A 14 4.139 21.701 -7.560 1.00 21.21 C ATOM 184 C VAL A 14 2.708 21.702 -8.086 1.00 22.32 C ATOM 185 O VAL A 14 2.131 22.758 -8.343 1.00 43.43 O ATOM 186 CB VAL A 14 5.112 21.609 -8.750 1.00 71.44 C ATOM 187 CG1 VAL A 14 4.862 22.742 -9.733 1.00 51.15 C ATOM 188 CG2 VAL A 14 6.553 21.623 -8.263 1.00 32.11 C ATOM 0 H VAL A 14 5.054 19.932 -6.906 1.00 21.11 H new ATOM 0 HA VAL A 14 4.325 22.629 -7.020 1.00 21.21 H new ATOM 0 HB VAL A 14 4.937 20.666 -9.267 1.00 71.44 H new ATOM 0 HG11 VAL A 14 5.559 22.660 -10.567 1.00 51.15 H new ATOM 0 HG12 VAL A 14 3.840 22.681 -10.107 1.00 51.15 H new ATOM 0 HG13 VAL A 14 5.008 23.698 -9.231 1.00 51.15 H new ATOM 0 HG21 VAL A 14 7.227 21.557 -9.117 1.00 32.11 H new ATOM 0 HG22 VAL A 14 6.745 22.549 -7.720 1.00 32.11 H new ATOM 0 HG23 VAL A 14 6.722 20.773 -7.602 1.00 32.11 H new ATOM 198 N ARG A 15 2.141 20.510 -8.243 1.00 15.33 N ATOM 199 CA ARG A 15 0.776 20.373 -8.739 1.00 5.32 C ATOM 200 C ARG A 15 -0.227 20.921 -7.728 1.00 51.34 C ATOM 201 O ARG A 15 -1.219 21.547 -8.101 1.00 54.20 O ATOM 202 CB ARG A 15 0.465 18.906 -9.038 1.00 61.24 C ATOM 203 CG ARG A 15 -0.984 18.657 -9.425 1.00 3.21 C ATOM 204 CD ARG A 15 -1.302 19.237 -10.794 1.00 54.20 C ATOM 205 NE ARG A 15 -0.429 18.699 -11.833 1.00 72.54 N ATOM 206 CZ ARG A 15 -0.666 18.832 -13.134 1.00 5.03 C ATOM 207 NH1 ARG A 15 -1.742 19.483 -13.552 1.00 1.52 N ATOM 208 NH2 ARG A 15 0.176 18.314 -14.019 1.00 22.31 N ATOM 0 H ARG A 15 2.605 19.626 -8.034 1.00 15.33 H new ATOM 0 HA ARG A 15 0.690 20.951 -9.659 1.00 5.32 H new ATOM 0 HB2 ARG A 15 1.112 18.564 -9.846 1.00 61.24 H new ATOM 0 HB3 ARG A 15 0.706 18.306 -8.160 1.00 61.24 H new ATOM 0 HG2 ARG A 15 -1.182 17.585 -9.428 1.00 3.21 H new ATOM 0 HG3 ARG A 15 -1.643 19.101 -8.679 1.00 3.21 H new ATOM 0 HD2 ARG A 15 -2.340 19.022 -11.046 1.00 54.20 H new ATOM 0 HD3 ARG A 15 -1.200 20.322 -10.761 1.00 54.20 H new ATOM 0 HE ARG A 15 0.409 18.193 -11.545 1.00 72.54 H new ATOM 0 HH11 ARG A 15 -2.391 19.884 -12.875 1.00 1.52 H new ATOM 0 HH12 ARG A 15 -1.921 19.583 -14.551 1.00 1.52 H new ATOM 0 HH21 ARG A 15 1.006 17.813 -13.701 1.00 22.31 H new ATOM 0 HH22 ARG A 15 -0.007 18.416 -15.017 1.00 22.31 H new ATOM 222 N SER A 16 0.038 20.681 -6.448 1.00 63.24 N ATOM 223 CA SER A 16 -0.844 21.146 -5.384 1.00 45.23 C ATOM 224 C SER A 16 -1.051 22.655 -5.472 1.00 3.24 C ATOM 225 O SER A 16 -2.069 23.180 -5.020 1.00 71.10 O ATOM 226 CB SER A 16 -0.266 20.778 -4.016 1.00 62.45 C ATOM 227 OG SER A 16 -1.195 21.047 -2.981 1.00 71.11 O ATOM 0 H SER A 16 0.857 20.167 -6.122 1.00 63.24 H new ATOM 0 HA SER A 16 -1.810 20.656 -5.506 1.00 45.23 H new ATOM 0 HB2 SER A 16 0.002 19.721 -4.003 1.00 62.45 H new ATOM 0 HB3 SER A 16 0.651 21.341 -3.842 1.00 62.45 H new ATOM 0 HG SER A 16 -0.802 20.802 -2.117 1.00 71.11 H new ATOM 233 N ILE A 17 -0.078 23.347 -6.055 1.00 61.34 N ATOM 234 CA ILE A 17 -0.153 24.795 -6.203 1.00 73.12 C ATOM 235 C ILE A 17 -1.092 25.183 -7.340 1.00 55.21 C ATOM 236 O ILE A 17 -2.044 25.940 -7.142 1.00 23.42 O ATOM 237 CB ILE A 17 1.235 25.407 -6.468 1.00 21.14 C ATOM 238 CG1 ILE A 17 2.115 25.287 -5.222 1.00 30.14 C ATOM 239 CG2 ILE A 17 1.101 26.862 -6.890 1.00 13.34 C ATOM 240 CD1 ILE A 17 3.188 24.227 -5.339 1.00 40.24 C ATOM 0 H ILE A 17 0.772 22.928 -6.433 1.00 61.34 H new ATOM 0 HA ILE A 17 -0.541 25.188 -5.263 1.00 73.12 H new ATOM 0 HB ILE A 17 1.710 24.856 -7.280 1.00 21.14 H new ATOM 0 HG12 ILE A 17 2.587 26.250 -5.026 1.00 30.14 H new ATOM 0 HG13 ILE A 17 1.484 25.061 -4.362 1.00 30.14 H new ATOM 0 HG21 ILE A 17 2.091 27.280 -7.074 1.00 13.34 H new ATOM 0 HG22 ILE A 17 0.506 26.923 -7.802 1.00 13.34 H new ATOM 0 HG23 ILE A 17 0.610 27.427 -6.098 1.00 13.34 H new ATOM 0 HD11 ILE A 17 3.773 24.198 -4.420 1.00 40.24 H new ATOM 0 HD12 ILE A 17 2.723 23.255 -5.504 1.00 40.24 H new ATOM 0 HD13 ILE A 17 3.842 24.463 -6.178 1.00 40.24 H new ATOM 252 N ILE A 18 -0.820 24.659 -8.530 1.00 42.44 N ATOM 253 CA ILE A 18 -1.642 24.949 -9.698 1.00 53.04 C ATOM 254 C ILE A 18 -3.042 24.365 -9.543 1.00 55.32 C ATOM 255 O ILE A 18 -4.011 24.897 -10.085 1.00 74.24 O ATOM 256 CB ILE A 18 -1.007 24.393 -10.986 1.00 45.44 C ATOM 257 CG1 ILE A 18 -0.763 22.889 -10.853 1.00 21.21 C ATOM 258 CG2 ILE A 18 0.294 25.121 -11.292 1.00 2.14 C ATOM 259 CD1 ILE A 18 -0.117 22.271 -12.073 1.00 73.52 C ATOM 0 H ILE A 18 -0.037 24.031 -8.711 1.00 42.44 H new ATOM 0 HA ILE A 18 -1.709 26.034 -9.775 1.00 53.04 H new ATOM 0 HB ILE A 18 -1.697 24.558 -11.814 1.00 45.44 H new ATOM 0 HG12 ILE A 18 -0.129 22.707 -9.985 1.00 21.21 H new ATOM 0 HG13 ILE A 18 -1.714 22.390 -10.663 1.00 21.21 H new ATOM 0 HG21 ILE A 18 0.731 24.717 -12.205 1.00 2.14 H new ATOM 0 HG22 ILE A 18 0.093 26.184 -11.425 1.00 2.14 H new ATOM 0 HG23 ILE A 18 0.991 24.984 -10.465 1.00 2.14 H new ATOM 0 HD11 ILE A 18 0.026 21.203 -11.908 1.00 73.52 H new ATOM 0 HD12 ILE A 18 -0.760 22.421 -12.940 1.00 73.52 H new ATOM 0 HD13 ILE A 18 0.849 22.743 -12.252 1.00 73.52 H new ATOM 271 N SER A 19 -3.141 23.269 -8.798 1.00 15.33 N ATOM 272 CA SER A 19 -4.423 22.611 -8.572 1.00 52.41 C ATOM 273 C SER A 19 -5.482 23.620 -8.137 1.00 31.24 C ATOM 274 O SER A 19 -6.671 23.439 -8.399 1.00 3.13 O ATOM 275 CB SER A 19 -4.279 21.517 -7.513 1.00 71.43 C ATOM 276 OG SER A 19 -4.177 22.074 -6.214 1.00 74.32 O ATOM 0 H SER A 19 -2.349 22.818 -8.340 1.00 15.33 H new ATOM 0 HA SER A 19 -4.742 22.158 -9.511 1.00 52.41 H new ATOM 0 HB2 SER A 19 -5.138 20.847 -7.558 1.00 71.43 H new ATOM 0 HB3 SER A 19 -3.395 20.916 -7.725 1.00 71.43 H new ATOM 0 HG SER A 19 -3.358 22.608 -6.150 1.00 74.32 H new ATOM 282 N GLU A 20 -5.040 24.682 -7.470 1.00 33.31 N ATOM 283 CA GLU A 20 -5.950 25.719 -6.997 1.00 20.40 C ATOM 284 C GLU A 20 -6.651 26.403 -8.167 1.00 63.23 C ATOM 285 O GLU A 20 -7.870 26.567 -8.163 1.00 33.40 O ATOM 286 CB GLU A 20 -5.190 26.755 -6.167 1.00 2.11 C ATOM 287 CG GLU A 20 -6.089 27.611 -5.290 1.00 62.32 C ATOM 288 CD GLU A 20 -5.372 28.823 -4.727 1.00 31.41 C ATOM 289 OE1 GLU A 20 -4.183 28.694 -4.368 1.00 43.03 O ATOM 290 OE2 GLU A 20 -6.000 29.899 -4.644 1.00 60.35 O ATOM 0 H GLU A 20 -4.059 24.847 -7.245 1.00 33.31 H new ATOM 0 HA GLU A 20 -6.706 25.245 -6.370 1.00 20.40 H new ATOM 0 HB2 GLU A 20 -4.464 26.241 -5.537 1.00 2.11 H new ATOM 0 HB3 GLU A 20 -4.627 27.404 -6.838 1.00 2.11 H new ATOM 0 HG2 GLU A 20 -6.950 27.941 -5.871 1.00 62.32 H new ATOM 0 HG3 GLU A 20 -6.472 27.006 -4.468 1.00 62.32 H new ATOM 297 N GLN A 21 -5.870 26.800 -9.167 1.00 4.04 N ATOM 298 CA GLN A 21 -6.415 27.468 -10.343 1.00 22.43 C ATOM 299 C GLN A 21 -6.912 26.450 -11.365 1.00 2.34 C ATOM 300 O GLN A 21 -8.039 26.544 -11.852 1.00 33.13 O ATOM 301 CB GLN A 21 -5.357 28.372 -10.978 1.00 72.32 C ATOM 302 CG GLN A 21 -5.151 29.682 -10.236 1.00 20.15 C ATOM 303 CD GLN A 21 -4.601 29.480 -8.837 1.00 60.13 C ATOM 304 OE1 GLN A 21 -3.665 28.707 -8.632 1.00 23.03 O ATOM 305 NE2 GLN A 21 -5.181 30.176 -7.866 1.00 70.25 N ATOM 0 H GLN A 21 -4.858 26.671 -9.186 1.00 4.04 H new ATOM 0 HA GLN A 21 -7.260 28.078 -10.025 1.00 22.43 H new ATOM 0 HB2 GLN A 21 -4.410 27.835 -11.019 1.00 72.32 H new ATOM 0 HB3 GLN A 21 -5.646 28.588 -12.007 1.00 72.32 H new ATOM 0 HG2 GLN A 21 -4.467 30.313 -10.804 1.00 20.15 H new ATOM 0 HG3 GLN A 21 -6.100 30.214 -10.176 1.00 20.15 H new ATOM 0 HE21 GLN A 21 -5.954 30.805 -8.081 1.00 70.25 H new ATOM 0 HE22 GLN A 21 -4.853 30.081 -6.905 1.00 70.25 H new ATOM 314 N LEU A 22 -6.064 25.479 -11.686 1.00 10.34 N ATOM 315 CA LEU A 22 -6.417 24.444 -12.651 1.00 22.34 C ATOM 316 C LEU A 22 -7.618 23.636 -12.168 1.00 42.44 C ATOM 317 O LEU A 22 -8.422 23.162 -12.971 1.00 21.33 O ATOM 318 CB LEU A 22 -5.226 23.514 -12.889 1.00 44.11 C ATOM 319 CG LEU A 22 -4.221 23.969 -13.948 1.00 4.21 C ATOM 320 CD1 LEU A 22 -3.815 25.416 -13.712 1.00 72.11 C ATOM 321 CD2 LEU A 22 -2.998 23.064 -13.946 1.00 64.34 C ATOM 0 H LEU A 22 -5.128 25.387 -11.292 1.00 10.34 H new ATOM 0 HA LEU A 22 -6.683 24.932 -13.589 1.00 22.34 H new ATOM 0 HB2 LEU A 22 -4.696 23.386 -11.945 1.00 44.11 H new ATOM 0 HB3 LEU A 22 -5.607 22.534 -13.176 1.00 44.11 H new ATOM 0 HG LEU A 22 -4.697 23.901 -14.926 1.00 4.21 H new ATOM 0 HD11 LEU A 22 -3.100 25.722 -14.475 1.00 72.11 H new ATOM 0 HD12 LEU A 22 -4.697 26.054 -13.764 1.00 72.11 H new ATOM 0 HD13 LEU A 22 -3.357 25.509 -12.727 1.00 72.11 H new ATOM 0 HD21 LEU A 22 -2.294 23.403 -14.706 1.00 64.34 H new ATOM 0 HD22 LEU A 22 -2.521 23.100 -12.967 1.00 64.34 H new ATOM 0 HD23 LEU A 22 -3.302 22.040 -14.164 1.00 64.34 H new ATOM 333 N ASP A 23 -7.734 23.487 -10.854 1.00 21.35 N ATOM 334 CA ASP A 23 -8.839 22.740 -10.264 1.00 22.24 C ATOM 335 C ASP A 23 -8.982 21.371 -10.921 1.00 64.32 C ATOM 336 O ASP A 23 -10.083 20.831 -11.023 1.00 73.42 O ATOM 337 CB ASP A 23 -10.144 23.525 -10.402 1.00 33.50 C ATOM 338 CG ASP A 23 -11.212 23.047 -9.437 1.00 42.11 C ATOM 339 OD1 ASP A 23 -10.862 22.705 -8.288 1.00 72.44 O ATOM 340 OD2 ASP A 23 -12.397 23.015 -9.831 1.00 3.21 O ATOM 0 H ASP A 23 -7.077 23.873 -10.176 1.00 21.35 H new ATOM 0 HA ASP A 23 -8.622 22.594 -9.206 1.00 22.24 H new ATOM 0 HB2 ASP A 23 -9.948 24.583 -10.228 1.00 33.50 H new ATOM 0 HB3 ASP A 23 -10.514 23.433 -11.423 1.00 33.50 H new ATOM 345 N LYS A 24 -7.860 20.814 -11.367 1.00 53.51 N ATOM 346 CA LYS A 24 -7.859 19.508 -12.015 1.00 42.31 C ATOM 347 C LYS A 24 -7.224 18.454 -11.113 1.00 54.33 C ATOM 348 O LYS A 24 -6.857 18.738 -9.973 1.00 31.52 O ATOM 349 CB LYS A 24 -7.106 19.577 -13.345 1.00 65.14 C ATOM 350 CG LYS A 24 -7.878 20.284 -14.446 1.00 23.31 C ATOM 351 CD LYS A 24 -8.793 19.325 -15.189 1.00 14.14 C ATOM 352 CE LYS A 24 -9.019 19.770 -16.626 1.00 4.14 C ATOM 353 NZ LYS A 24 -9.900 20.968 -16.704 1.00 3.03 N ATOM 0 H LYS A 24 -6.940 21.247 -11.291 1.00 53.51 H new ATOM 0 HA LYS A 24 -8.894 19.223 -12.205 1.00 42.31 H new ATOM 0 HB2 LYS A 24 -6.158 20.092 -13.190 1.00 65.14 H new ATOM 0 HB3 LYS A 24 -6.869 18.564 -13.672 1.00 65.14 H new ATOM 0 HG2 LYS A 24 -8.469 21.093 -14.016 1.00 23.31 H new ATOM 0 HG3 LYS A 24 -7.179 20.739 -15.148 1.00 23.31 H new ATOM 0 HD2 LYS A 24 -8.358 18.326 -15.181 1.00 14.14 H new ATOM 0 HD3 LYS A 24 -9.751 19.260 -14.672 1.00 14.14 H new ATOM 0 HE2 LYS A 24 -8.059 19.994 -17.092 1.00 4.14 H new ATOM 0 HE3 LYS A 24 -9.466 18.953 -17.193 1.00 4.14 H new ATOM 0 HZ1 LYS A 24 -10.029 21.240 -17.700 1.00 3.03 H new ATOM 0 HZ2 LYS A 24 -10.825 20.747 -16.282 1.00 3.03 H new ATOM 0 HZ3 LYS A 24 -9.462 21.755 -16.185 1.00 3.03 H new ATOM 367 N LYS A 25 -7.097 17.238 -11.632 1.00 30.41 N ATOM 368 CA LYS A 25 -6.504 16.141 -10.875 1.00 53.14 C ATOM 369 C LYS A 25 -5.071 15.880 -11.328 1.00 52.01 C ATOM 370 O LYS A 25 -4.747 16.026 -12.506 1.00 71.21 O ATOM 371 CB LYS A 25 -7.341 14.870 -11.039 1.00 14.53 C ATOM 372 CG LYS A 25 -8.792 15.040 -10.622 1.00 52.22 C ATOM 373 CD LYS A 25 -9.662 15.466 -11.793 1.00 33.02 C ATOM 374 CE LYS A 25 -10.844 16.306 -11.333 1.00 4.44 C ATOM 375 NZ LYS A 25 -10.407 17.608 -10.755 1.00 60.23 N ATOM 0 H LYS A 25 -7.397 16.987 -12.574 1.00 30.41 H new ATOM 0 HA LYS A 25 -6.488 16.425 -9.823 1.00 53.14 H new ATOM 0 HB2 LYS A 25 -7.306 14.554 -12.082 1.00 14.53 H new ATOM 0 HB3 LYS A 25 -6.893 14.071 -10.448 1.00 14.53 H new ATOM 0 HG2 LYS A 25 -9.166 14.102 -10.212 1.00 52.22 H new ATOM 0 HG3 LYS A 25 -8.859 15.784 -9.828 1.00 52.22 H new ATOM 0 HD2 LYS A 25 -9.064 16.036 -12.504 1.00 33.02 H new ATOM 0 HD3 LYS A 25 -10.025 14.583 -12.318 1.00 33.02 H new ATOM 0 HE2 LYS A 25 -11.510 16.488 -12.176 1.00 4.44 H new ATOM 0 HE3 LYS A 25 -11.416 15.752 -10.589 1.00 4.44 H new ATOM 0 HZ1 LYS A 25 -10.953 17.806 -9.893 1.00 60.23 H new ATOM 0 HZ2 LYS A 25 -9.395 17.561 -10.521 1.00 60.23 H new ATOM 0 HZ3 LYS A 25 -10.567 18.367 -11.448 1.00 60.23 H new ATOM 389 N GLU A 26 -4.219 15.492 -10.385 1.00 4.34 N ATOM 390 CA GLU A 26 -2.821 15.210 -10.688 1.00 44.54 C ATOM 391 C GLU A 26 -2.697 13.994 -11.602 1.00 3.15 C ATOM 392 O GLU A 26 -1.658 13.777 -12.226 1.00 74.23 O ATOM 393 CB GLU A 26 -2.033 14.976 -9.398 1.00 65.40 C ATOM 394 CG GLU A 26 -2.585 13.846 -8.545 1.00 2.34 C ATOM 395 CD GLU A 26 -2.113 12.481 -9.007 1.00 55.31 C ATOM 396 OE1 GLU A 26 -1.071 12.413 -9.692 1.00 15.33 O ATOM 397 OE2 GLU A 26 -2.787 11.481 -8.684 1.00 34.32 O ATOM 0 H GLU A 26 -4.472 15.366 -9.405 1.00 4.34 H new ATOM 0 HA GLU A 26 -2.406 16.075 -11.205 1.00 44.54 H new ATOM 0 HB2 GLU A 26 -0.996 14.756 -9.650 1.00 65.40 H new ATOM 0 HB3 GLU A 26 -2.031 15.895 -8.812 1.00 65.40 H new ATOM 0 HG2 GLU A 26 -2.284 13.998 -7.508 1.00 2.34 H new ATOM 0 HG3 GLU A 26 -3.674 13.877 -8.569 1.00 2.34 H new ATOM 404 N ASP A 27 -3.763 13.205 -11.673 1.00 24.52 N ATOM 405 CA ASP A 27 -3.775 12.010 -12.509 1.00 43.13 C ATOM 406 C ASP A 27 -4.187 12.351 -13.938 1.00 11.21 C ATOM 407 O ASP A 27 -4.456 11.462 -14.745 1.00 1.21 O ATOM 408 CB ASP A 27 -4.726 10.963 -11.927 1.00 4.20 C ATOM 409 CG ASP A 27 -4.510 9.588 -12.527 1.00 75.14 C ATOM 410 OD1 ASP A 27 -3.452 9.373 -13.155 1.00 53.15 O ATOM 411 OD2 ASP A 27 -5.400 8.726 -12.369 1.00 22.13 O ATOM 0 H ASP A 27 -4.630 13.371 -11.162 1.00 24.52 H new ATOM 0 HA ASP A 27 -2.765 11.600 -12.529 1.00 43.13 H new ATOM 0 HB2 ASP A 27 -4.587 10.911 -10.847 1.00 4.20 H new ATOM 0 HB3 ASP A 27 -5.756 11.275 -12.102 1.00 4.20 H new ATOM 416 N GLU A 28 -4.236 13.645 -14.242 1.00 23.54 N ATOM 417 CA GLU A 28 -4.618 14.102 -15.572 1.00 45.15 C ATOM 418 C GLU A 28 -3.479 13.893 -16.567 1.00 52.11 C ATOM 419 O GLU A 28 -3.640 14.118 -17.767 1.00 14.21 O ATOM 420 CB GLU A 28 -5.011 15.580 -15.534 1.00 51.24 C ATOM 421 CG GLU A 28 -6.469 15.813 -15.176 1.00 32.24 C ATOM 422 CD GLU A 28 -7.422 15.225 -16.198 1.00 54.20 C ATOM 423 OE1 GLU A 28 -7.710 15.908 -17.203 1.00 71.11 O ATOM 424 OE2 GLU A 28 -7.881 14.082 -15.992 1.00 65.45 O ATOM 0 H GLU A 28 -4.016 14.394 -13.585 1.00 23.54 H new ATOM 0 HA GLU A 28 -5.475 13.513 -15.898 1.00 45.15 H new ATOM 0 HB2 GLU A 28 -4.381 16.096 -14.810 1.00 51.24 H new ATOM 0 HB3 GLU A 28 -4.809 16.026 -16.508 1.00 51.24 H new ATOM 0 HG2 GLU A 28 -6.674 15.375 -14.199 1.00 32.24 H new ATOM 0 HG3 GLU A 28 -6.651 16.884 -15.089 1.00 32.24 H new ATOM 431 N ILE A 29 -2.330 13.462 -16.059 1.00 64.03 N ATOM 432 CA ILE A 29 -1.165 13.222 -16.902 1.00 41.13 C ATOM 433 C ILE A 29 -1.517 12.325 -18.084 1.00 50.11 C ATOM 434 O ILE A 29 -1.797 11.138 -17.916 1.00 23.44 O ATOM 435 CB ILE A 29 -0.017 12.575 -16.105 1.00 43.24 C ATOM 436 CG1 ILE A 29 0.425 13.497 -14.967 1.00 23.54 C ATOM 437 CG2 ILE A 29 1.154 12.261 -17.024 1.00 62.53 C ATOM 438 CD1 ILE A 29 0.908 14.851 -15.438 1.00 35.35 C ATOM 0 H ILE A 29 -2.180 13.272 -15.068 1.00 64.03 H new ATOM 0 HA ILE A 29 -0.837 14.194 -17.271 1.00 41.13 H new ATOM 0 HB ILE A 29 -0.375 11.641 -15.673 1.00 43.24 H new ATOM 0 HG12 ILE A 29 -0.409 13.637 -14.279 1.00 23.54 H new ATOM 0 HG13 ILE A 29 1.223 13.011 -14.406 1.00 23.54 H new ATOM 0 HG21 ILE A 29 1.958 11.804 -16.446 1.00 62.53 H new ATOM 0 HG22 ILE A 29 0.830 11.571 -17.803 1.00 62.53 H new ATOM 0 HG23 ILE A 29 1.515 13.182 -17.482 1.00 62.53 H new ATOM 0 HD11 ILE A 29 1.205 15.451 -14.578 1.00 35.35 H new ATOM 0 HD12 ILE A 29 1.762 14.722 -16.102 1.00 35.35 H new ATOM 0 HD13 ILE A 29 0.105 15.357 -15.974 1.00 35.35 H new ATOM 450 N THR A 30 -1.500 12.900 -19.283 1.00 2.34 N ATOM 451 CA THR A 30 -1.816 12.154 -20.493 1.00 74.44 C ATOM 452 C THR A 30 -1.442 12.945 -21.741 1.00 65.12 C ATOM 453 O THR A 30 -1.253 14.161 -21.686 1.00 34.35 O ATOM 454 CB THR A 30 -3.313 11.795 -20.557 1.00 51.01 C ATOM 455 OG1 THR A 30 -3.598 11.095 -21.773 1.00 62.32 O ATOM 456 CG2 THR A 30 -4.173 13.047 -20.474 1.00 35.25 C ATOM 0 H THR A 30 -1.270 13.881 -19.441 1.00 2.34 H new ATOM 0 HA THR A 30 -1.230 11.235 -20.459 1.00 74.44 H new ATOM 0 HB THR A 30 -3.547 11.155 -19.707 1.00 51.01 H new ATOM 0 HG1 THR A 30 -4.551 10.869 -21.805 1.00 62.32 H new ATOM 0 HG21 THR A 30 -5.226 12.769 -20.521 1.00 35.25 H new ATOM 0 HG22 THR A 30 -3.976 13.562 -19.534 1.00 35.25 H new ATOM 0 HG23 THR A 30 -3.935 13.708 -21.307 1.00 35.25 H new ATOM 464 N THR A 31 -1.335 12.248 -22.868 1.00 43.15 N ATOM 465 CA THR A 31 -0.982 12.886 -24.131 1.00 22.34 C ATOM 466 C THR A 31 -2.195 13.555 -24.766 1.00 42.24 C ATOM 467 O THR A 31 -2.069 14.279 -25.754 1.00 54.22 O ATOM 468 CB THR A 31 -0.389 11.871 -25.126 1.00 71.23 C ATOM 469 OG1 THR A 31 -1.397 10.939 -25.535 1.00 10.33 O ATOM 470 CG2 THR A 31 0.779 11.121 -24.504 1.00 1.11 C ATOM 0 H THR A 31 -1.488 11.242 -22.932 1.00 43.15 H new ATOM 0 HA THR A 31 -0.231 13.643 -23.905 1.00 22.34 H new ATOM 0 HB THR A 31 -0.026 12.419 -25.996 1.00 71.23 H new ATOM 0 HG1 THR A 31 -1.012 10.298 -26.169 1.00 10.33 H new ATOM 0 HG21 THR A 31 1.181 10.410 -25.226 1.00 1.11 H new ATOM 0 HG22 THR A 31 1.557 11.830 -24.221 1.00 1.11 H new ATOM 0 HG23 THR A 31 0.437 10.585 -23.619 1.00 1.11 H new ATOM 478 N ASP A 32 -3.368 13.310 -24.194 1.00 20.51 N ATOM 479 CA ASP A 32 -4.604 13.891 -24.704 1.00 74.41 C ATOM 480 C ASP A 32 -5.062 15.051 -23.826 1.00 50.34 C ATOM 481 O ASP A 32 -6.246 15.384 -23.788 1.00 54.55 O ATOM 482 CB ASP A 32 -5.701 12.827 -24.777 1.00 21.21 C ATOM 483 CG ASP A 32 -6.719 13.118 -25.862 1.00 21.00 C ATOM 484 OD1 ASP A 32 -7.717 13.810 -25.570 1.00 4.33 O ATOM 485 OD2 ASP A 32 -6.517 12.654 -27.004 1.00 15.33 O ATOM 0 H ASP A 32 -3.489 12.713 -23.376 1.00 20.51 H new ATOM 0 HA ASP A 32 -4.410 14.272 -25.707 1.00 74.41 H new ATOM 0 HB2 ASP A 32 -5.247 11.853 -24.961 1.00 21.21 H new ATOM 0 HB3 ASP A 32 -6.208 12.766 -23.814 1.00 21.21 H new ATOM 490 N SER A 33 -4.115 15.663 -23.121 1.00 74.44 N ATOM 491 CA SER A 33 -4.422 16.783 -22.240 1.00 10.01 C ATOM 492 C SER A 33 -3.641 18.027 -22.651 1.00 42.42 C ATOM 493 O SER A 33 -4.214 19.101 -22.834 1.00 53.24 O ATOM 494 CB SER A 33 -4.099 16.421 -20.789 1.00 35.11 C ATOM 495 OG SER A 33 -5.188 15.752 -20.176 1.00 60.33 O ATOM 0 H SER A 33 -3.129 15.402 -23.143 1.00 74.44 H new ATOM 0 HA SER A 33 -5.487 16.999 -22.325 1.00 10.01 H new ATOM 0 HB2 SER A 33 -3.214 15.786 -20.758 1.00 35.11 H new ATOM 0 HB3 SER A 33 -3.862 17.326 -20.229 1.00 35.11 H new ATOM 0 HG SER A 33 -4.956 15.530 -19.250 1.00 60.33 H new ATOM 501 N ARG A 34 -2.328 17.874 -22.794 1.00 75.13 N ATOM 502 CA ARG A 34 -1.467 18.984 -23.183 1.00 13.45 C ATOM 503 C ARG A 34 -1.585 20.137 -22.190 1.00 35.04 C ATOM 504 O ARG A 34 -2.329 20.054 -21.212 1.00 54.20 O ATOM 505 CB ARG A 34 -1.827 19.469 -24.588 1.00 41.32 C ATOM 506 CG ARG A 34 -1.433 18.497 -25.687 1.00 64.55 C ATOM 507 CD ARG A 34 -1.512 19.145 -27.060 1.00 53.35 C ATOM 508 NE ARG A 34 -0.216 19.653 -27.502 1.00 70.42 N ATOM 509 CZ ARG A 34 0.022 20.088 -28.735 1.00 34.15 C ATOM 510 NH1 ARG A 34 -0.945 20.078 -29.642 1.00 45.25 N ATOM 511 NH2 ARG A 34 1.228 20.535 -29.061 1.00 32.34 N ATOM 0 H ARG A 34 -1.838 16.992 -22.646 1.00 75.13 H new ATOM 0 HA ARG A 34 -0.436 18.629 -23.182 1.00 13.45 H new ATOM 0 HB2 ARG A 34 -2.902 19.645 -24.638 1.00 41.32 H new ATOM 0 HB3 ARG A 34 -1.338 20.426 -24.769 1.00 41.32 H new ATOM 0 HG2 ARG A 34 -0.419 18.139 -25.511 1.00 64.55 H new ATOM 0 HG3 ARG A 34 -2.088 17.627 -25.656 1.00 64.55 H new ATOM 0 HD2 ARG A 34 -1.882 18.418 -27.783 1.00 53.35 H new ATOM 0 HD3 ARG A 34 -2.232 19.963 -27.034 1.00 53.35 H new ATOM 0 HE ARG A 34 0.549 19.675 -26.827 1.00 70.42 H new ATOM 0 HH11 ARG A 34 -1.873 19.736 -29.394 1.00 45.25 H new ATOM 0 HH12 ARG A 34 -0.761 20.412 -30.588 1.00 45.25 H new ATOM 0 HH21 ARG A 34 1.974 20.545 -28.365 1.00 32.34 H new ATOM 0 HH22 ARG A 34 1.410 20.869 -30.008 1.00 32.34 H new ATOM 525 N PHE A 35 -0.846 21.211 -22.447 1.00 34.01 N ATOM 526 CA PHE A 35 -0.867 22.380 -21.575 1.00 62.13 C ATOM 527 C PHE A 35 -2.225 23.073 -21.627 1.00 33.02 C ATOM 528 O PHE A 35 -2.667 23.672 -20.646 1.00 42.22 O ATOM 529 CB PHE A 35 0.235 23.362 -21.978 1.00 1.11 C ATOM 530 CG PHE A 35 1.622 22.816 -21.793 1.00 71.45 C ATOM 531 CD1 PHE A 35 2.015 22.284 -20.576 1.00 1.33 C ATOM 532 CD2 PHE A 35 2.532 22.833 -22.838 1.00 22.41 C ATOM 533 CE1 PHE A 35 3.291 21.782 -20.403 1.00 71.42 C ATOM 534 CE2 PHE A 35 3.809 22.331 -22.671 1.00 63.14 C ATOM 535 CZ PHE A 35 4.189 21.804 -21.453 1.00 33.34 C ATOM 0 H PHE A 35 -0.225 21.296 -23.252 1.00 34.01 H new ATOM 0 HA PHE A 35 -0.689 22.044 -20.553 1.00 62.13 H new ATOM 0 HB2 PHE A 35 0.099 23.639 -23.023 1.00 1.11 H new ATOM 0 HB3 PHE A 35 0.131 24.274 -21.390 1.00 1.11 H new ATOM 0 HD1 PHE A 35 1.316 22.261 -19.753 1.00 1.33 H new ATOM 0 HD2 PHE A 35 2.240 23.243 -23.794 1.00 22.41 H new ATOM 0 HE1 PHE A 35 3.586 21.373 -19.448 1.00 71.42 H new ATOM 0 HE2 PHE A 35 4.509 22.351 -23.493 1.00 63.14 H new ATOM 0 HZ PHE A 35 5.186 21.410 -21.321 1.00 33.34 H new ATOM 545 N VAL A 36 -2.883 22.987 -22.779 1.00 14.15 N ATOM 546 CA VAL A 36 -4.192 23.605 -22.959 1.00 63.14 C ATOM 547 C VAL A 36 -5.196 23.073 -21.943 1.00 62.11 C ATOM 548 O VAL A 36 -5.886 23.843 -21.277 1.00 12.41 O ATOM 549 CB VAL A 36 -4.736 23.361 -24.379 1.00 73.52 C ATOM 550 CG1 VAL A 36 -3.970 24.193 -25.396 1.00 14.32 C ATOM 551 CG2 VAL A 36 -4.667 21.882 -24.729 1.00 32.43 C ATOM 0 H VAL A 36 -2.532 22.496 -23.601 1.00 14.15 H new ATOM 0 HA VAL A 36 -4.060 24.676 -22.807 1.00 63.14 H new ATOM 0 HB VAL A 36 -5.781 23.670 -24.406 1.00 73.52 H new ATOM 0 HG11 VAL A 36 -4.369 24.007 -26.393 1.00 14.32 H new ATOM 0 HG12 VAL A 36 -4.076 25.251 -25.155 1.00 14.32 H new ATOM 0 HG13 VAL A 36 -2.915 23.919 -25.370 1.00 14.32 H new ATOM 0 HG21 VAL A 36 -5.055 21.728 -25.736 1.00 32.43 H new ATOM 0 HG22 VAL A 36 -3.631 21.545 -24.684 1.00 32.43 H new ATOM 0 HG23 VAL A 36 -5.265 21.312 -24.018 1.00 32.43 H new ATOM 561 N GLU A 37 -5.271 21.751 -21.830 1.00 21.52 N ATOM 562 CA GLU A 37 -6.192 21.116 -20.894 1.00 64.31 C ATOM 563 C GLU A 37 -5.578 21.030 -19.500 1.00 5.42 C ATOM 564 O GLU A 37 -6.147 21.527 -18.528 1.00 31.44 O ATOM 565 CB GLU A 37 -6.567 19.716 -21.384 1.00 73.23 C ATOM 566 CG GLU A 37 -7.985 19.305 -21.024 1.00 72.03 C ATOM 567 CD GLU A 37 -9.025 20.275 -21.551 1.00 11.14 C ATOM 568 OE1 GLU A 37 -8.879 20.732 -22.704 1.00 13.03 O ATOM 569 OE2 GLU A 37 -9.984 20.577 -20.810 1.00 2.51 O ATOM 0 H GLU A 37 -4.706 21.099 -22.374 1.00 21.52 H new ATOM 0 HA GLU A 37 -7.092 21.728 -20.839 1.00 64.31 H new ATOM 0 HB2 GLU A 37 -6.450 19.676 -22.467 1.00 73.23 H new ATOM 0 HB3 GLU A 37 -5.870 18.993 -20.961 1.00 73.23 H new ATOM 0 HG2 GLU A 37 -8.184 18.311 -21.425 1.00 72.03 H new ATOM 0 HG3 GLU A 37 -8.075 19.235 -19.940 1.00 72.03 H new ATOM 576 N ASP A 38 -4.413 20.398 -19.411 1.00 21.35 N ATOM 577 CA ASP A 38 -3.720 20.247 -18.136 1.00 52.01 C ATOM 578 C ASP A 38 -3.406 21.609 -17.524 1.00 64.34 C ATOM 579 O ASP A 38 -3.921 21.958 -16.462 1.00 30.25 O ATOM 580 CB ASP A 38 -2.430 19.448 -18.324 1.00 43.01 C ATOM 581 CG ASP A 38 -1.796 19.053 -17.005 1.00 3.43 C ATOM 582 OD1 ASP A 38 -2.538 18.639 -16.090 1.00 12.34 O ATOM 583 OD2 ASP A 38 -0.557 19.158 -16.887 1.00 70.35 O ATOM 0 H ASP A 38 -3.928 19.982 -20.206 1.00 21.35 H new ATOM 0 HA ASP A 38 -4.377 19.706 -17.455 1.00 52.01 H new ATOM 0 HB2 ASP A 38 -2.643 18.550 -18.904 1.00 43.01 H new ATOM 0 HB3 ASP A 38 -1.720 20.040 -18.902 1.00 43.01 H new ATOM 588 N LEU A 39 -2.556 22.373 -18.201 1.00 51.42 N ATOM 589 CA LEU A 39 -2.171 23.697 -17.724 1.00 53.22 C ATOM 590 C LEU A 39 -3.246 24.728 -18.053 1.00 13.22 C ATOM 591 O LEU A 39 -4.240 24.416 -18.707 1.00 32.11 O ATOM 592 CB LEU A 39 -0.838 24.118 -18.346 1.00 34.51 C ATOM 593 CG LEU A 39 0.381 24.058 -17.425 1.00 35.14 C ATOM 594 CD1 LEU A 39 0.488 22.689 -16.770 1.00 4.50 C ATOM 595 CD2 LEU A 39 1.650 24.383 -18.198 1.00 61.20 C ATOM 0 H LEU A 39 -2.120 22.099 -19.082 1.00 51.42 H new ATOM 0 HA LEU A 39 -2.060 23.647 -16.641 1.00 53.22 H new ATOM 0 HB2 LEU A 39 -0.647 23.483 -19.211 1.00 34.51 H new ATOM 0 HB3 LEU A 39 -0.939 25.138 -18.716 1.00 34.51 H new ATOM 0 HG LEU A 39 0.257 24.804 -16.640 1.00 35.14 H new ATOM 0 HD11 LEU A 39 1.361 22.665 -16.118 1.00 4.50 H new ATOM 0 HD12 LEU A 39 -0.409 22.496 -16.182 1.00 4.50 H new ATOM 0 HD13 LEU A 39 0.589 21.924 -17.540 1.00 4.50 H new ATOM 0 HD21 LEU A 39 2.507 24.336 -17.527 1.00 61.20 H new ATOM 0 HD22 LEU A 39 1.780 23.661 -19.004 1.00 61.20 H new ATOM 0 HD23 LEU A 39 1.573 25.386 -18.618 1.00 61.20 H new ATOM 607 N ASN A 40 -3.038 25.959 -17.596 1.00 32.21 N ATOM 608 CA ASN A 40 -3.989 27.037 -17.843 1.00 21.22 C ATOM 609 C ASN A 40 -3.401 28.073 -18.796 1.00 72.45 C ATOM 610 O ASN A 40 -3.427 29.271 -18.519 1.00 42.34 O ATOM 611 CB ASN A 40 -4.385 27.707 -16.526 1.00 35.23 C ATOM 612 CG ASN A 40 -3.181 28.142 -15.713 1.00 34.43 C ATOM 613 OD1 ASN A 40 -2.068 28.230 -16.230 1.00 61.34 O ATOM 614 ND2 ASN A 40 -3.400 28.416 -14.432 1.00 32.31 N ATOM 0 H ASN A 40 -2.220 26.235 -17.053 1.00 32.21 H new ATOM 0 HA ASN A 40 -4.877 26.606 -18.305 1.00 21.22 H new ATOM 0 HB2 ASN A 40 -5.010 28.575 -16.737 1.00 35.23 H new ATOM 0 HB3 ASN A 40 -4.987 27.016 -15.937 1.00 35.23 H new ATOM 0 HD21 ASN A 40 -2.628 28.713 -13.835 1.00 32.31 H new ATOM 0 HD22 ASN A 40 -4.340 28.329 -14.045 1.00 32.31 H new ATOM 621 N ALA A 41 -2.873 27.601 -19.921 1.00 23.00 N ATOM 622 CA ALA A 41 -2.281 28.486 -20.917 1.00 32.21 C ATOM 623 C ALA A 41 -1.995 27.738 -22.215 1.00 14.12 C ATOM 624 O ALA A 41 -2.311 26.555 -22.343 1.00 50.13 O ATOM 625 CB ALA A 41 -1.005 29.113 -20.375 1.00 32.54 C ATOM 0 H ALA A 41 -2.843 26.611 -20.165 1.00 23.00 H new ATOM 0 HA ALA A 41 -2.998 29.278 -21.135 1.00 32.21 H new ATOM 0 HB1 ALA A 41 -0.574 29.771 -21.129 1.00 32.54 H new ATOM 0 HB2 ALA A 41 -1.235 29.690 -19.479 1.00 32.54 H new ATOM 0 HB3 ALA A 41 -0.290 28.328 -20.128 1.00 32.54 H new ATOM 631 N ASP A 42 -1.397 28.435 -23.174 1.00 52.53 N ATOM 632 CA ASP A 42 -1.069 27.837 -24.463 1.00 5.11 C ATOM 633 C ASP A 42 0.422 27.526 -24.553 1.00 42.22 C ATOM 634 O ASP A 42 1.244 28.188 -23.920 1.00 1.43 O ATOM 635 CB ASP A 42 -1.477 28.772 -25.602 1.00 71.14 C ATOM 636 CG ASP A 42 -2.980 28.827 -25.796 1.00 22.42 C ATOM 637 OD1 ASP A 42 -3.603 27.750 -25.909 1.00 4.34 O ATOM 638 OD2 ASP A 42 -3.533 29.946 -25.835 1.00 60.21 O ATOM 0 H ASP A 42 -1.129 29.415 -23.084 1.00 52.53 H new ATOM 0 HA ASP A 42 -1.623 26.903 -24.554 1.00 5.11 H new ATOM 0 HB2 ASP A 42 -1.103 29.775 -25.396 1.00 71.14 H new ATOM 0 HB3 ASP A 42 -1.006 28.440 -26.527 1.00 71.14 H new ATOM 643 N SER A 43 0.764 26.514 -25.344 1.00 74.20 N ATOM 644 CA SER A 43 2.155 26.112 -25.513 1.00 70.34 C ATOM 645 C SER A 43 3.032 27.316 -25.842 1.00 63.21 C ATOM 646 O SER A 43 4.210 27.358 -25.483 1.00 33.44 O ATOM 647 CB SER A 43 2.274 25.063 -26.621 1.00 35.43 C ATOM 648 OG SER A 43 2.331 25.674 -27.898 1.00 61.50 O ATOM 0 H SER A 43 0.096 25.958 -25.878 1.00 74.20 H new ATOM 0 HA SER A 43 2.499 25.679 -24.574 1.00 70.34 H new ATOM 0 HB2 SER A 43 3.169 24.462 -26.462 1.00 35.43 H new ATOM 0 HB3 SER A 43 1.422 24.385 -26.577 1.00 35.43 H new ATOM 0 HG SER A 43 2.409 24.983 -28.588 1.00 61.50 H new ATOM 654 N LEU A 44 2.451 28.294 -26.528 1.00 32.24 N ATOM 655 CA LEU A 44 3.178 29.500 -26.906 1.00 2.41 C ATOM 656 C LEU A 44 3.847 30.136 -25.691 1.00 52.54 C ATOM 657 O LEU A 44 5.011 30.532 -25.748 1.00 3.14 O ATOM 658 CB LEU A 44 2.231 30.505 -27.566 1.00 25.35 C ATOM 659 CG LEU A 44 0.920 30.775 -26.828 1.00 12.14 C ATOM 660 CD1 LEU A 44 0.973 32.120 -26.119 1.00 62.14 C ATOM 661 CD2 LEU A 44 -0.255 30.725 -27.793 1.00 54.11 C ATOM 0 H LEU A 44 1.478 28.275 -26.834 1.00 32.24 H new ATOM 0 HA LEU A 44 3.953 29.219 -27.619 1.00 2.41 H new ATOM 0 HB2 LEU A 44 2.761 31.451 -27.683 1.00 25.35 H new ATOM 0 HB3 LEU A 44 1.994 30.147 -28.568 1.00 25.35 H new ATOM 0 HG LEU A 44 0.781 29.997 -26.077 1.00 12.14 H new ATOM 0 HD11 LEU A 44 0.031 32.295 -25.599 1.00 62.14 H new ATOM 0 HD12 LEU A 44 1.791 32.119 -25.398 1.00 62.14 H new ATOM 0 HD13 LEU A 44 1.136 32.911 -26.851 1.00 62.14 H new ATOM 0 HD21 LEU A 44 -1.180 30.919 -27.250 1.00 54.11 H new ATOM 0 HD22 LEU A 44 -0.123 31.481 -28.567 1.00 54.11 H new ATOM 0 HD23 LEU A 44 -0.305 29.739 -28.254 1.00 54.11 H new ATOM 673 N ASP A 45 3.103 30.230 -24.595 1.00 23.45 N ATOM 674 CA ASP A 45 3.625 30.814 -23.365 1.00 11.43 C ATOM 675 C ASP A 45 4.480 29.806 -22.604 1.00 4.22 C ATOM 676 O ASP A 45 5.346 30.184 -21.813 1.00 72.41 O ATOM 677 CB ASP A 45 2.477 31.299 -22.478 1.00 54.43 C ATOM 678 CG ASP A 45 2.001 32.689 -22.855 1.00 63.34 C ATOM 679 OD1 ASP A 45 2.802 33.452 -23.435 1.00 15.34 O ATOM 680 OD2 ASP A 45 0.829 33.013 -22.570 1.00 61.25 O ATOM 0 H ASP A 45 2.137 29.909 -24.533 1.00 23.45 H new ATOM 0 HA ASP A 45 4.251 31.665 -23.634 1.00 11.43 H new ATOM 0 HB2 ASP A 45 1.644 30.600 -22.553 1.00 54.43 H new ATOM 0 HB3 ASP A 45 2.801 31.299 -21.437 1.00 54.43 H new ATOM 685 N ILE A 46 4.232 28.524 -22.847 1.00 73.12 N ATOM 686 CA ILE A 46 4.979 27.462 -22.185 1.00 1.21 C ATOM 687 C ILE A 46 6.384 27.335 -22.764 1.00 71.04 C ATOM 688 O ILE A 46 7.320 26.938 -22.070 1.00 13.13 O ATOM 689 CB ILE A 46 4.260 26.106 -22.309 1.00 21.13 C ATOM 690 CG1 ILE A 46 2.825 26.215 -21.789 1.00 2.31 C ATOM 691 CG2 ILE A 46 5.024 25.031 -21.550 1.00 75.51 C ATOM 692 CD1 ILE A 46 2.740 26.518 -20.309 1.00 41.53 C ATOM 0 H ILE A 46 3.519 28.195 -23.498 1.00 73.12 H new ATOM 0 HA ILE A 46 5.046 27.733 -21.131 1.00 1.21 H new ATOM 0 HB ILE A 46 4.224 25.825 -23.362 1.00 21.13 H new ATOM 0 HG12 ILE A 46 2.305 26.997 -22.342 1.00 2.31 H new ATOM 0 HG13 ILE A 46 2.302 25.280 -21.991 1.00 2.31 H new ATOM 0 HG21 ILE A 46 4.504 24.078 -21.647 1.00 75.51 H new ATOM 0 HG22 ILE A 46 6.029 24.939 -21.962 1.00 75.51 H new ATOM 0 HG23 ILE A 46 5.087 25.305 -20.497 1.00 75.51 H new ATOM 0 HD11 ILE A 46 1.694 26.581 -20.010 1.00 41.53 H new ATOM 0 HD12 ILE A 46 3.231 25.724 -19.746 1.00 41.53 H new ATOM 0 HD13 ILE A 46 3.234 27.468 -20.103 1.00 41.53 H new ATOM 704 N TYR A 47 6.524 27.676 -24.041 1.00 23.15 N ATOM 705 CA TYR A 47 7.815 27.599 -24.714 1.00 41.44 C ATOM 706 C TYR A 47 8.898 28.296 -23.897 1.00 45.41 C ATOM 707 O TYR A 47 9.948 27.718 -23.617 1.00 52.01 O ATOM 708 CB TYR A 47 7.726 28.229 -26.106 1.00 13.04 C ATOM 709 CG TYR A 47 9.067 28.388 -26.786 1.00 12.15 C ATOM 710 CD1 TYR A 47 9.821 29.542 -26.616 1.00 43.43 C ATOM 711 CD2 TYR A 47 9.580 27.383 -27.597 1.00 11.25 C ATOM 712 CE1 TYR A 47 11.047 29.692 -27.236 1.00 54.13 C ATOM 713 CE2 TYR A 47 10.805 27.524 -28.219 1.00 61.43 C ATOM 714 CZ TYR A 47 11.534 28.680 -28.036 1.00 43.05 C ATOM 715 OH TYR A 47 12.755 28.825 -28.655 1.00 22.34 O ATOM 0 H TYR A 47 5.760 28.008 -24.630 1.00 23.15 H new ATOM 0 HA TYR A 47 8.082 26.547 -24.814 1.00 41.44 H new ATOM 0 HB2 TYR A 47 7.081 27.614 -26.733 1.00 13.04 H new ATOM 0 HB3 TYR A 47 7.252 29.207 -26.023 1.00 13.04 H new ATOM 0 HD1 TYR A 47 9.443 30.336 -25.989 1.00 43.43 H new ATOM 0 HD2 TYR A 47 9.011 26.477 -27.743 1.00 11.25 H new ATOM 0 HE1 TYR A 47 11.620 30.596 -27.095 1.00 54.13 H new ATOM 0 HE2 TYR A 47 11.190 26.733 -28.845 1.00 61.43 H new ATOM 0 HH TYR A 47 12.953 28.022 -29.181 1.00 22.34 H new ATOM 725 N GLU A 48 8.635 29.543 -23.518 1.00 35.24 N ATOM 726 CA GLU A 48 9.587 30.319 -22.732 1.00 52.44 C ATOM 727 C GLU A 48 9.805 29.687 -21.361 1.00 63.41 C ATOM 728 O GLU A 48 10.911 29.717 -20.820 1.00 3.13 O ATOM 729 CB GLU A 48 9.093 31.759 -22.569 1.00 64.43 C ATOM 730 CG GLU A 48 9.447 32.660 -23.740 1.00 65.24 C ATOM 731 CD GLU A 48 8.525 33.858 -23.854 1.00 42.10 C ATOM 732 OE1 GLU A 48 7.310 33.653 -24.054 1.00 55.32 O ATOM 733 OE2 GLU A 48 9.018 35.000 -23.743 1.00 65.22 O ATOM 0 H GLU A 48 7.771 30.037 -23.742 1.00 35.24 H new ATOM 0 HA GLU A 48 10.538 30.326 -23.265 1.00 52.44 H new ATOM 0 HB2 GLU A 48 8.010 31.751 -22.442 1.00 64.43 H new ATOM 0 HB3 GLU A 48 9.518 32.179 -21.657 1.00 64.43 H new ATOM 0 HG2 GLU A 48 10.475 33.006 -23.629 1.00 65.24 H new ATOM 0 HG3 GLU A 48 9.403 32.083 -24.664 1.00 65.24 H new ATOM 740 N LEU A 49 8.744 29.114 -20.804 1.00 53.25 N ATOM 741 CA LEU A 49 8.818 28.474 -19.496 1.00 33.03 C ATOM 742 C LEU A 49 9.889 27.388 -19.481 1.00 34.13 C ATOM 743 O LEU A 49 10.845 27.455 -18.708 1.00 5.01 O ATOM 744 CB LEU A 49 7.461 27.874 -19.122 1.00 62.22 C ATOM 745 CG LEU A 49 7.183 27.722 -17.626 1.00 43.32 C ATOM 746 CD1 LEU A 49 6.975 29.084 -16.981 1.00 61.24 C ATOM 747 CD2 LEU A 49 5.972 26.830 -17.396 1.00 51.45 C ATOM 0 H LEU A 49 7.822 29.080 -21.238 1.00 53.25 H new ATOM 0 HA LEU A 49 9.087 29.234 -18.762 1.00 33.03 H new ATOM 0 HB2 LEU A 49 6.679 28.498 -19.555 1.00 62.22 H new ATOM 0 HB3 LEU A 49 7.380 26.892 -19.588 1.00 62.22 H new ATOM 0 HG LEU A 49 8.049 27.251 -17.161 1.00 43.32 H new ATOM 0 HD11 LEU A 49 6.778 28.956 -15.917 1.00 61.24 H new ATOM 0 HD12 LEU A 49 7.871 29.690 -17.114 1.00 61.24 H new ATOM 0 HD13 LEU A 49 6.126 29.583 -17.449 1.00 61.24 H new ATOM 0 HD21 LEU A 49 5.789 26.733 -16.326 1.00 51.45 H new ATOM 0 HD22 LEU A 49 5.098 27.272 -17.875 1.00 51.45 H new ATOM 0 HD23 LEU A 49 6.160 25.845 -17.823 1.00 51.45 H new ATOM 759 N LEU A 50 9.723 26.389 -20.340 1.00 74.24 N ATOM 760 CA LEU A 50 10.676 25.289 -20.428 1.00 64.51 C ATOM 761 C LEU A 50 12.007 25.765 -21.003 1.00 15.45 C ATOM 762 O LEU A 50 13.073 25.327 -20.571 1.00 43.50 O ATOM 763 CB LEU A 50 10.108 24.163 -21.294 1.00 61.20 C ATOM 764 CG LEU A 50 9.424 24.594 -22.592 1.00 13.35 C ATOM 765 CD1 LEU A 50 10.150 24.016 -23.796 1.00 71.10 C ATOM 766 CD2 LEU A 50 7.963 24.168 -22.592 1.00 21.45 C ATOM 0 H LEU A 50 8.937 26.318 -20.986 1.00 74.24 H new ATOM 0 HA LEU A 50 10.850 24.912 -19.420 1.00 64.51 H new ATOM 0 HB2 LEU A 50 10.919 23.480 -21.544 1.00 61.20 H new ATOM 0 HB3 LEU A 50 9.390 23.600 -20.698 1.00 61.20 H new ATOM 0 HG LEU A 50 9.465 25.681 -22.658 1.00 13.35 H new ATOM 0 HD11 LEU A 50 9.649 24.334 -24.710 1.00 71.10 H new ATOM 0 HD12 LEU A 50 11.180 24.372 -23.805 1.00 71.10 H new ATOM 0 HD13 LEU A 50 10.142 22.928 -23.737 1.00 71.10 H new ATOM 0 HD21 LEU A 50 7.492 24.483 -23.523 1.00 21.45 H new ATOM 0 HD22 LEU A 50 7.900 23.084 -22.502 1.00 21.45 H new ATOM 0 HD23 LEU A 50 7.449 24.632 -21.750 1.00 21.45 H new ATOM 778 N TYR A 51 11.935 26.666 -21.976 1.00 44.11 N ATOM 779 CA TYR A 51 13.134 27.203 -22.610 1.00 31.31 C ATOM 780 C TYR A 51 14.115 27.725 -21.565 1.00 64.12 C ATOM 781 O TYR A 51 15.299 27.385 -21.583 1.00 43.34 O ATOM 782 CB TYR A 51 12.764 28.323 -23.583 1.00 55.20 C ATOM 783 CG TYR A 51 13.939 29.181 -23.994 1.00 53.13 C ATOM 784 CD1 TYR A 51 15.154 28.606 -24.345 1.00 42.42 C ATOM 785 CD2 TYR A 51 13.834 30.566 -24.031 1.00 42.01 C ATOM 786 CE1 TYR A 51 16.231 29.386 -24.721 1.00 10.11 C ATOM 787 CE2 TYR A 51 14.905 31.353 -24.407 1.00 41.40 C ATOM 788 CZ TYR A 51 16.101 30.759 -24.751 1.00 23.12 C ATOM 789 OH TYR A 51 17.171 31.540 -25.124 1.00 71.14 O ATOM 0 H TYR A 51 11.060 27.040 -22.343 1.00 44.11 H new ATOM 0 HA TYR A 51 13.615 26.396 -23.162 1.00 31.31 H new ATOM 0 HB2 TYR A 51 12.315 27.885 -24.475 1.00 55.20 H new ATOM 0 HB3 TYR A 51 12.006 28.957 -23.123 1.00 55.20 H new ATOM 0 HD1 TYR A 51 15.259 27.531 -24.324 1.00 42.42 H new ATOM 0 HD2 TYR A 51 12.899 31.035 -23.761 1.00 42.01 H new ATOM 0 HE1 TYR A 51 17.169 28.923 -24.990 1.00 10.11 H new ATOM 0 HE2 TYR A 51 14.806 32.428 -24.431 1.00 41.40 H new ATOM 0 HH TYR A 51 16.913 32.485 -25.093 1.00 71.14 H new ATOM 799 N LEU A 52 13.615 28.553 -20.655 1.00 32.54 N ATOM 800 CA LEU A 52 14.446 29.123 -19.600 1.00 32.42 C ATOM 801 C LEU A 52 14.753 28.083 -18.527 1.00 23.11 C ATOM 802 O LEU A 52 15.790 28.146 -17.865 1.00 65.34 O ATOM 803 CB LEU A 52 13.749 30.330 -18.971 1.00 13.32 C ATOM 804 CG LEU A 52 14.060 31.688 -19.601 1.00 53.22 C ATOM 805 CD1 LEU A 52 13.497 31.763 -21.012 1.00 15.41 C ATOM 806 CD2 LEU A 52 13.504 32.815 -18.742 1.00 72.23 C ATOM 0 H LEU A 52 12.638 28.845 -20.626 1.00 32.54 H new ATOM 0 HA LEU A 52 15.386 29.446 -20.047 1.00 32.42 H new ATOM 0 HB2 LEU A 52 12.672 30.168 -19.018 1.00 13.32 H new ATOM 0 HB3 LEU A 52 14.019 30.371 -17.916 1.00 13.32 H new ATOM 0 HG LEU A 52 15.143 31.802 -19.657 1.00 53.22 H new ATOM 0 HD11 LEU A 52 13.728 32.736 -21.445 1.00 15.41 H new ATOM 0 HD12 LEU A 52 13.943 30.979 -21.624 1.00 15.41 H new ATOM 0 HD13 LEU A 52 12.416 31.627 -20.980 1.00 15.41 H new ATOM 0 HD21 LEU A 52 13.735 33.774 -19.206 1.00 72.23 H new ATOM 0 HD22 LEU A 52 12.423 32.706 -18.653 1.00 72.23 H new ATOM 0 HD23 LEU A 52 13.955 32.774 -17.751 1.00 72.23 H new ATOM 818 N LEU A 53 13.847 27.126 -18.361 1.00 10.01 N ATOM 819 CA LEU A 53 14.022 26.070 -17.370 1.00 10.13 C ATOM 820 C LEU A 53 15.279 25.255 -17.658 1.00 54.04 C ATOM 821 O LEU A 53 16.115 25.055 -16.779 1.00 21.35 O ATOM 822 CB LEU A 53 12.798 25.153 -17.352 1.00 22.45 C ATOM 823 CG LEU A 53 12.296 24.731 -15.970 1.00 54.22 C ATOM 824 CD1 LEU A 53 11.932 25.952 -15.139 1.00 71.23 C ATOM 825 CD2 LEU A 53 11.102 23.797 -16.099 1.00 74.44 C ATOM 0 H LEU A 53 12.984 27.059 -18.900 1.00 10.01 H new ATOM 0 HA LEU A 53 14.132 26.538 -16.392 1.00 10.13 H new ATOM 0 HB2 LEU A 53 11.984 25.656 -17.874 1.00 22.45 H new ATOM 0 HB3 LEU A 53 13.034 24.254 -17.921 1.00 22.45 H new ATOM 0 HG LEU A 53 13.098 24.196 -15.461 1.00 54.22 H new ATOM 0 HD11 LEU A 53 11.577 25.633 -14.159 1.00 71.23 H new ATOM 0 HD12 LEU A 53 12.811 26.585 -15.018 1.00 71.23 H new ATOM 0 HD13 LEU A 53 11.147 26.515 -15.644 1.00 71.23 H new ATOM 0 HD21 LEU A 53 10.758 23.507 -15.106 1.00 74.44 H new ATOM 0 HD22 LEU A 53 10.297 24.307 -16.627 1.00 74.44 H new ATOM 0 HD23 LEU A 53 11.395 22.907 -16.656 1.00 74.44 H new ATOM 837 N GLU A 54 15.404 24.790 -18.897 1.00 63.43 N ATOM 838 CA GLU A 54 16.560 23.998 -19.301 1.00 70.44 C ATOM 839 C GLU A 54 17.852 24.791 -19.125 1.00 33.31 C ATOM 840 O GLU A 54 18.894 24.231 -18.786 1.00 72.02 O ATOM 841 CB GLU A 54 16.417 23.553 -20.758 1.00 71.44 C ATOM 842 CG GLU A 54 15.229 22.637 -21.001 1.00 51.13 C ATOM 843 CD GLU A 54 14.961 21.706 -19.834 1.00 44.34 C ATOM 844 OE1 GLU A 54 15.917 21.050 -19.369 1.00 13.44 O ATOM 845 OE2 GLU A 54 13.798 21.634 -19.387 1.00 73.55 O ATOM 0 H GLU A 54 14.720 24.948 -19.637 1.00 63.43 H new ATOM 0 HA GLU A 54 16.605 23.116 -18.662 1.00 70.44 H new ATOM 0 HB2 GLU A 54 16.320 24.435 -21.391 1.00 71.44 H new ATOM 0 HB3 GLU A 54 17.329 23.040 -21.064 1.00 71.44 H new ATOM 0 HG2 GLU A 54 14.342 23.241 -21.190 1.00 51.13 H new ATOM 0 HG3 GLU A 54 15.409 22.046 -21.899 1.00 51.13 H new ATOM 852 N GLU A 55 17.774 26.097 -19.358 1.00 15.22 N ATOM 853 CA GLU A 55 18.937 26.967 -19.226 1.00 35.11 C ATOM 854 C GLU A 55 19.487 26.927 -17.803 1.00 51.42 C ATOM 855 O GLU A 55 20.635 27.298 -17.560 1.00 12.21 O ATOM 856 CB GLU A 55 18.572 28.404 -19.604 1.00 11.13 C ATOM 857 CG GLU A 55 19.734 29.376 -19.493 1.00 4.22 C ATOM 858 CD GLU A 55 19.527 30.631 -20.319 1.00 33.31 C ATOM 859 OE1 GLU A 55 18.435 31.229 -20.225 1.00 51.44 O ATOM 860 OE2 GLU A 55 20.457 31.014 -21.059 1.00 60.30 O ATOM 0 H GLU A 55 16.918 26.576 -19.639 1.00 15.22 H new ATOM 0 HA GLU A 55 19.709 26.606 -19.906 1.00 35.11 H new ATOM 0 HB2 GLU A 55 18.195 28.417 -20.627 1.00 11.13 H new ATOM 0 HB3 GLU A 55 17.761 28.745 -18.961 1.00 11.13 H new ATOM 0 HG2 GLU A 55 19.873 29.652 -18.448 1.00 4.22 H new ATOM 0 HG3 GLU A 55 20.649 28.880 -19.816 1.00 4.22 H new ATOM 867 N ALA A 56 18.659 26.476 -16.867 1.00 72.51 N ATOM 868 CA ALA A 56 19.062 26.386 -15.469 1.00 71.12 C ATOM 869 C ALA A 56 19.696 25.033 -15.166 1.00 71.53 C ATOM 870 O ALA A 56 20.423 24.882 -14.184 1.00 50.12 O ATOM 871 CB ALA A 56 17.867 26.627 -14.559 1.00 31.32 C ATOM 0 H ALA A 56 17.705 26.167 -17.051 1.00 72.51 H new ATOM 0 HA ALA A 56 19.809 27.157 -15.282 1.00 71.12 H new ATOM 0 HB1 ALA A 56 18.182 26.557 -13.518 1.00 31.32 H new ATOM 0 HB2 ALA A 56 17.460 27.620 -14.749 1.00 31.32 H new ATOM 0 HB3 ALA A 56 17.101 25.877 -14.757 1.00 31.32 H new ATOM 877 N PHE A 57 19.415 24.050 -16.015 1.00 61.44 N ATOM 878 CA PHE A 57 19.957 22.707 -15.837 1.00 51.43 C ATOM 879 C PHE A 57 21.026 22.409 -16.885 1.00 32.05 C ATOM 880 O PHE A 57 21.628 21.335 -16.884 1.00 0.21 O ATOM 881 CB PHE A 57 18.838 21.667 -15.924 1.00 10.35 C ATOM 882 CG PHE A 57 17.564 22.101 -15.257 1.00 32.11 C ATOM 883 CD1 PHE A 57 17.588 22.690 -14.003 1.00 42.00 C ATOM 884 CD2 PHE A 57 16.342 21.920 -15.884 1.00 72.13 C ATOM 885 CE1 PHE A 57 16.417 23.089 -13.387 1.00 40.12 C ATOM 886 CE2 PHE A 57 15.167 22.317 -15.273 1.00 43.45 C ATOM 887 CZ PHE A 57 15.205 22.904 -14.024 1.00 22.24 C ATOM 0 H PHE A 57 18.815 24.158 -16.833 1.00 61.44 H new ATOM 0 HA PHE A 57 20.416 22.655 -14.850 1.00 51.43 H new ATOM 0 HB2 PHE A 57 18.634 21.451 -16.973 1.00 10.35 H new ATOM 0 HB3 PHE A 57 19.180 20.738 -15.467 1.00 10.35 H new ATOM 0 HD1 PHE A 57 18.533 22.839 -13.501 1.00 42.00 H new ATOM 0 HD2 PHE A 57 16.307 21.463 -16.862 1.00 72.13 H new ATOM 0 HE1 PHE A 57 16.449 23.545 -12.409 1.00 40.12 H new ATOM 0 HE2 PHE A 57 14.221 22.168 -15.772 1.00 43.45 H new ATOM 0 HZ PHE A 57 14.289 23.218 -13.546 1.00 22.24 H new ATOM 897 N ASP A 58 21.255 23.366 -17.776 1.00 42.53 N ATOM 898 CA ASP A 58 22.251 23.208 -18.829 1.00 64.24 C ATOM 899 C ASP A 58 21.895 22.040 -19.743 1.00 73.43 C ATOM 900 O ASP A 58 22.461 20.953 -19.627 1.00 71.55 O ATOM 901 CB ASP A 58 23.638 22.991 -18.221 1.00 33.50 C ATOM 902 CG ASP A 58 23.896 23.894 -17.031 1.00 34.42 C ATOM 903 OD1 ASP A 58 23.880 25.130 -17.209 1.00 61.22 O ATOM 904 OD2 ASP A 58 24.112 23.364 -15.921 1.00 11.31 O ATOM 0 H ASP A 58 20.764 24.260 -17.791 1.00 42.53 H new ATOM 0 HA ASP A 58 22.262 24.121 -19.424 1.00 64.24 H new ATOM 0 HB2 ASP A 58 23.737 21.950 -17.912 1.00 33.50 H new ATOM 0 HB3 ASP A 58 24.397 23.172 -18.982 1.00 33.50 H new ATOM 909 N ASP A 59 20.952 22.271 -20.650 1.00 42.24 N ATOM 910 CA ASP A 59 20.520 21.238 -21.584 1.00 55.24 C ATOM 911 C ASP A 59 19.716 21.844 -22.731 1.00 44.31 C ATOM 912 O ASP A 59 19.291 22.998 -22.664 1.00 34.41 O ATOM 913 CB ASP A 59 19.681 20.184 -20.860 1.00 23.04 C ATOM 914 CG ASP A 59 20.500 18.976 -20.449 1.00 32.23 C ATOM 915 OD1 ASP A 59 21.250 18.451 -21.298 1.00 13.11 O ATOM 916 OD2 ASP A 59 20.390 18.555 -19.278 1.00 32.50 O ATOM 0 H ASP A 59 20.472 23.165 -20.758 1.00 42.24 H new ATOM 0 HA ASP A 59 21.409 20.763 -21.998 1.00 55.24 H new ATOM 0 HB2 ASP A 59 19.227 20.630 -19.975 1.00 23.04 H new ATOM 0 HB3 ASP A 59 18.866 19.863 -21.509 1.00 23.04 H new ATOM 921 N LYS A 60 19.514 21.060 -23.784 1.00 73.31 N ATOM 922 CA LYS A 60 18.762 21.517 -24.946 1.00 52.55 C ATOM 923 C LYS A 60 17.377 20.878 -24.985 1.00 43.41 C ATOM 924 O LYS A 60 17.235 19.672 -24.784 1.00 13.03 O ATOM 925 CB LYS A 60 19.523 21.190 -26.233 1.00 74.52 C ATOM 926 CG LYS A 60 20.510 22.267 -26.647 1.00 63.41 C ATOM 927 CD LYS A 60 19.816 23.415 -27.360 1.00 4.44 C ATOM 928 CE LYS A 60 19.498 23.064 -28.805 1.00 31.02 C ATOM 929 NZ LYS A 60 20.731 22.794 -29.595 1.00 21.03 N ATOM 0 H LYS A 60 19.861 20.104 -23.857 1.00 73.31 H new ATOM 0 HA LYS A 60 18.642 22.597 -24.867 1.00 52.55 H new ATOM 0 HB2 LYS A 60 20.059 20.250 -26.099 1.00 74.52 H new ATOM 0 HB3 LYS A 60 18.806 21.036 -27.040 1.00 74.52 H new ATOM 0 HG2 LYS A 60 21.028 22.645 -25.766 1.00 63.41 H new ATOM 0 HG3 LYS A 60 21.267 21.836 -27.302 1.00 63.41 H new ATOM 0 HD2 LYS A 60 18.895 23.667 -26.835 1.00 4.44 H new ATOM 0 HD3 LYS A 60 20.452 24.300 -27.331 1.00 4.44 H new ATOM 0 HE2 LYS A 60 18.851 22.188 -28.832 1.00 31.02 H new ATOM 0 HE3 LYS A 60 18.945 23.883 -29.264 1.00 31.02 H new ATOM 0 HZ1 LYS A 60 20.707 23.347 -30.476 1.00 21.03 H new ATOM 0 HZ2 LYS A 60 21.566 23.065 -29.038 1.00 21.03 H new ATOM 0 HZ3 LYS A 60 20.782 21.781 -29.824 1.00 21.03 H new ATOM 943 N ILE A 61 16.361 21.694 -25.246 1.00 64.01 N ATOM 944 CA ILE A 61 14.989 21.207 -25.314 1.00 23.24 C ATOM 945 C ILE A 61 14.777 20.330 -26.543 1.00 50.33 C ATOM 946 O ILE A 61 14.390 19.166 -26.447 1.00 31.53 O ATOM 947 CB ILE A 61 13.980 22.370 -25.346 1.00 31.45 C ATOM 948 CG1 ILE A 61 13.651 22.827 -23.923 1.00 53.10 C ATOM 949 CG2 ILE A 61 12.714 21.952 -26.080 1.00 4.52 C ATOM 950 CD1 ILE A 61 12.868 21.807 -23.126 1.00 63.10 C ATOM 0 H ILE A 61 16.462 22.695 -25.414 1.00 64.01 H new ATOM 0 HA ILE A 61 14.819 20.615 -24.415 1.00 23.24 H new ATOM 0 HB ILE A 61 14.428 23.207 -25.882 1.00 31.45 H new ATOM 0 HG12 ILE A 61 14.580 23.051 -23.398 1.00 53.10 H new ATOM 0 HG13 ILE A 61 13.080 23.754 -23.971 1.00 53.10 H new ATOM 0 HG21 ILE A 61 12.010 22.784 -26.095 1.00 4.52 H new ATOM 0 HG22 ILE A 61 12.963 21.669 -27.103 1.00 4.52 H new ATOM 0 HG23 ILE A 61 12.261 21.103 -25.569 1.00 4.52 H new ATOM 0 HD11 ILE A 61 12.671 22.199 -22.128 1.00 63.10 H new ATOM 0 HD12 ILE A 61 11.923 21.600 -23.628 1.00 63.10 H new ATOM 0 HD13 ILE A 61 13.446 20.886 -23.047 1.00 63.10 H new ATOM 962 N PRO A 62 15.038 20.901 -27.729 1.00 34.02 N ATOM 963 CA PRO A 62 14.884 20.189 -29.001 1.00 25.21 C ATOM 964 C PRO A 62 15.934 19.098 -29.185 1.00 3.23 C ATOM 965 O PRO A 62 15.950 18.405 -30.201 1.00 70.11 O ATOM 966 CB PRO A 62 15.068 21.290 -30.048 1.00 63.12 C ATOM 967 CG PRO A 62 15.898 22.324 -29.369 1.00 12.21 C ATOM 968 CD PRO A 62 15.502 22.285 -27.919 1.00 3.34 C ATOM 0 HA PRO A 62 13.925 19.675 -29.067 1.00 25.21 H new ATOM 0 HB2 PRO A 62 15.563 20.908 -30.941 1.00 63.12 H new ATOM 0 HB3 PRO A 62 14.109 21.698 -30.366 1.00 63.12 H new ATOM 0 HG2 PRO A 62 16.961 22.113 -29.489 1.00 12.21 H new ATOM 0 HG3 PRO A 62 15.719 23.311 -29.796 1.00 12.21 H new ATOM 0 HD2 PRO A 62 16.343 22.520 -27.266 1.00 3.34 H new ATOM 0 HD3 PRO A 62 14.715 23.006 -27.698 1.00 3.34 H new ATOM 976 N GLU A 63 16.809 18.952 -28.194 1.00 42.45 N ATOM 977 CA GLU A 63 17.863 17.945 -28.249 1.00 15.51 C ATOM 978 C GLU A 63 17.630 16.858 -27.204 1.00 71.21 C ATOM 979 O GLU A 63 17.353 15.708 -27.541 1.00 62.44 O ATOM 980 CB GLU A 63 19.231 18.594 -28.030 1.00 12.44 C ATOM 981 CG GLU A 63 20.362 17.891 -28.761 1.00 40.51 C ATOM 982 CD GLU A 63 20.679 16.529 -28.175 1.00 14.55 C ATOM 983 OE1 GLU A 63 20.765 16.423 -26.933 1.00 63.15 O ATOM 984 OE2 GLU A 63 20.839 15.570 -28.958 1.00 24.14 O ATOM 0 H GLU A 63 16.809 19.517 -27.345 1.00 42.45 H new ATOM 0 HA GLU A 63 17.841 17.486 -29.237 1.00 15.51 H new ATOM 0 HB2 GLU A 63 19.188 19.633 -28.358 1.00 12.44 H new ATOM 0 HB3 GLU A 63 19.451 18.606 -26.963 1.00 12.44 H new ATOM 0 HG2 GLU A 63 20.095 17.777 -29.812 1.00 40.51 H new ATOM 0 HG3 GLU A 63 21.255 18.514 -28.725 1.00 40.51 H new ATOM 991 N ASN A 64 17.745 17.231 -25.934 1.00 2.42 N ATOM 992 CA ASN A 64 17.549 16.288 -24.839 1.00 12.21 C ATOM 993 C ASN A 64 16.075 15.919 -24.697 1.00 24.40 C ATOM 994 O ASN A 64 15.708 14.748 -24.790 1.00 52.02 O ATOM 995 CB ASN A 64 18.066 16.883 -23.527 1.00 73.42 C ATOM 996 CG ASN A 64 18.122 15.858 -22.411 1.00 23.22 C ATOM 997 OD1 ASN A 64 19.149 15.212 -22.197 1.00 54.13 O ATOM 998 ND2 ASN A 64 17.016 15.704 -21.692 1.00 42.13 N ATOM 0 H ASN A 64 17.973 18.180 -25.637 1.00 2.42 H new ATOM 0 HA ASN A 64 18.112 15.383 -25.066 1.00 12.21 H new ATOM 0 HB2 ASN A 64 19.061 17.298 -23.686 1.00 73.42 H new ATOM 0 HB3 ASN A 64 17.421 17.709 -23.226 1.00 73.42 H new ATOM 0 HD21 ASN A 64 16.995 15.029 -20.927 1.00 42.13 H new ATOM 0 HD22 ASN A 64 16.188 16.261 -21.904 1.00 42.13 H new ATOM 1005 N GLU A 65 15.237 16.926 -24.472 1.00 23.43 N ATOM 1006 CA GLU A 65 13.804 16.706 -24.317 1.00 21.41 C ATOM 1007 C GLU A 65 13.216 16.052 -25.564 1.00 62.21 C ATOM 1008 O GLU A 65 12.615 14.981 -25.491 1.00 73.34 O ATOM 1009 CB GLU A 65 13.090 18.029 -24.037 1.00 12.43 C ATOM 1010 CG GLU A 65 12.874 18.303 -22.558 1.00 11.51 C ATOM 1011 CD GLU A 65 14.176 18.413 -21.789 1.00 1.33 C ATOM 1012 OE1 GLU A 65 14.766 19.514 -21.777 1.00 2.03 O ATOM 1013 OE2 GLU A 65 14.605 17.400 -21.199 1.00 62.45 O ATOM 0 H GLU A 65 15.525 17.901 -24.393 1.00 23.43 H new ATOM 0 HA GLU A 65 13.655 16.035 -23.471 1.00 21.41 H new ATOM 0 HB2 GLU A 65 13.671 18.844 -24.468 1.00 12.43 H new ATOM 0 HB3 GLU A 65 12.124 18.025 -24.542 1.00 12.43 H new ATOM 0 HG2 GLU A 65 12.309 19.228 -22.442 1.00 11.51 H new ATOM 0 HG3 GLU A 65 12.269 17.504 -22.129 1.00 11.51 H new ATOM 1020 N ALA A 66 13.394 16.705 -26.708 1.00 5.45 N ATOM 1021 CA ALA A 66 12.884 16.188 -27.971 1.00 14.02 C ATOM 1022 C ALA A 66 13.326 14.746 -28.193 1.00 21.35 C ATOM 1023 O ALA A 66 12.638 13.971 -28.856 1.00 24.33 O ATOM 1024 CB ALA A 66 13.343 17.066 -29.125 1.00 52.42 C ATOM 0 H ALA A 66 13.888 17.594 -26.785 1.00 5.45 H new ATOM 0 HA ALA A 66 11.795 16.204 -27.928 1.00 14.02 H new ATOM 0 HB1 ALA A 66 12.954 16.668 -30.062 1.00 52.42 H new ATOM 0 HB2 ALA A 66 12.972 18.081 -28.980 1.00 52.42 H new ATOM 0 HB3 ALA A 66 14.432 17.080 -29.161 1.00 52.42 H new ATOM 1030 N ASN A 67 14.479 14.393 -27.633 1.00 61.34 N ATOM 1031 CA ASN A 67 15.014 13.043 -27.772 1.00 31.04 C ATOM 1032 C ASN A 67 13.998 12.005 -27.304 1.00 62.13 C ATOM 1033 O ASN A 67 14.070 10.837 -27.686 1.00 11.23 O ATOM 1034 CB ASN A 67 16.310 12.901 -26.971 1.00 41.20 C ATOM 1035 CG ASN A 67 17.486 12.503 -27.841 1.00 65.02 C ATOM 1036 OD1 ASN A 67 18.601 12.994 -27.660 1.00 71.23 O ATOM 1037 ND2 ASN A 67 17.243 11.609 -28.792 1.00 73.24 N ATOM 0 H ASN A 67 15.060 15.022 -27.079 1.00 61.34 H new ATOM 0 HA ASN A 67 15.226 12.869 -28.827 1.00 31.04 H new ATOM 0 HB2 ASN A 67 16.532 13.845 -26.474 1.00 41.20 H new ATOM 0 HB3 ASN A 67 16.171 12.154 -26.189 1.00 41.20 H new ATOM 0 HD21 ASN A 67 17.996 11.303 -29.408 1.00 73.24 H new ATOM 0 HD22 ASN A 67 16.304 11.228 -28.906 1.00 73.24 H new ATOM 1044 N GLU A 68 13.053 12.440 -26.477 1.00 2.23 N ATOM 1045 CA GLU A 68 12.023 11.548 -25.958 1.00 3.04 C ATOM 1046 C GLU A 68 10.852 12.343 -25.387 1.00 60.23 C ATOM 1047 O GLU A 68 10.303 11.997 -24.341 1.00 23.31 O ATOM 1048 CB GLU A 68 12.606 10.633 -24.879 1.00 24.13 C ATOM 1049 CG GLU A 68 11.712 9.454 -24.532 1.00 1.52 C ATOM 1050 CD GLU A 68 11.219 8.715 -25.760 1.00 71.22 C ATOM 1051 OE1 GLU A 68 11.929 7.798 -26.225 1.00 13.14 O ATOM 1052 OE2 GLU A 68 10.124 9.052 -26.257 1.00 43.30 O ATOM 0 H GLU A 68 12.979 13.404 -26.152 1.00 2.23 H new ATOM 0 HA GLU A 68 11.657 10.938 -26.784 1.00 3.04 H new ATOM 0 HB2 GLU A 68 13.573 10.258 -25.216 1.00 24.13 H new ATOM 0 HB3 GLU A 68 12.787 11.218 -23.977 1.00 24.13 H new ATOM 0 HG2 GLU A 68 12.261 8.763 -23.892 1.00 1.52 H new ATOM 0 HG3 GLU A 68 10.856 9.808 -23.958 1.00 1.52 H new ATOM 1059 N PHE A 69 10.475 13.410 -26.083 1.00 13.53 N ATOM 1060 CA PHE A 69 9.370 14.256 -25.646 1.00 0.22 C ATOM 1061 C PHE A 69 8.076 13.871 -26.357 1.00 41.32 C ATOM 1062 O PHE A 69 8.090 13.109 -27.323 1.00 44.10 O ATOM 1063 CB PHE A 69 9.692 15.729 -25.910 1.00 32.43 C ATOM 1064 CG PHE A 69 9.563 16.598 -24.692 1.00 23.14 C ATOM 1065 CD1 PHE A 69 9.935 16.124 -23.444 1.00 34.03 C ATOM 1066 CD2 PHE A 69 9.071 17.889 -24.794 1.00 73.14 C ATOM 1067 CE1 PHE A 69 9.818 16.921 -22.321 1.00 1.43 C ATOM 1068 CE2 PHE A 69 8.952 18.691 -23.675 1.00 43.02 C ATOM 1069 CZ PHE A 69 9.325 18.206 -22.437 1.00 2.33 C ATOM 0 H PHE A 69 10.918 13.710 -26.952 1.00 13.53 H new ATOM 0 HA PHE A 69 9.233 14.108 -24.575 1.00 0.22 H new ATOM 0 HB2 PHE A 69 10.708 15.807 -26.296 1.00 32.43 H new ATOM 0 HB3 PHE A 69 9.026 16.105 -26.687 1.00 32.43 H new ATOM 0 HD1 PHE A 69 10.321 15.120 -23.348 1.00 34.03 H new ATOM 0 HD2 PHE A 69 8.777 18.273 -25.760 1.00 73.14 H new ATOM 0 HE1 PHE A 69 10.112 16.540 -21.354 1.00 1.43 H new ATOM 0 HE2 PHE A 69 8.568 19.696 -23.769 1.00 43.02 H new ATOM 0 HZ PHE A 69 9.231 18.830 -21.561 1.00 2.33 H new ATOM 1079 N GLU A 70 6.959 14.404 -25.871 1.00 44.20 N ATOM 1080 CA GLU A 70 5.657 14.115 -26.459 1.00 51.34 C ATOM 1081 C GLU A 70 4.601 15.092 -25.950 1.00 31.04 C ATOM 1082 O GLU A 70 4.059 15.893 -26.712 1.00 60.01 O ATOM 1083 CB GLU A 70 5.236 12.679 -26.140 1.00 55.33 C ATOM 1084 CG GLU A 70 3.991 12.230 -26.888 1.00 24.33 C ATOM 1085 CD GLU A 70 4.308 11.653 -28.254 1.00 21.11 C ATOM 1086 OE1 GLU A 70 4.509 12.444 -29.199 1.00 50.11 O ATOM 1087 OE2 GLU A 70 4.355 10.411 -28.378 1.00 52.40 O ATOM 0 H GLU A 70 6.930 15.038 -25.072 1.00 44.20 H new ATOM 0 HA GLU A 70 5.741 14.229 -27.540 1.00 51.34 H new ATOM 0 HB2 GLU A 70 6.058 12.006 -26.383 1.00 55.33 H new ATOM 0 HB3 GLU A 70 5.058 12.591 -25.068 1.00 55.33 H new ATOM 0 HG2 GLU A 70 3.465 11.482 -26.295 1.00 24.33 H new ATOM 0 HG3 GLU A 70 3.315 13.078 -27.004 1.00 24.33 H new ATOM 1094 N THR A 71 4.312 15.019 -24.654 1.00 4.42 N ATOM 1095 CA THR A 71 3.321 15.895 -24.041 1.00 71.54 C ATOM 1096 C THR A 71 3.698 16.231 -22.603 1.00 71.22 C ATOM 1097 O THR A 71 4.751 15.821 -22.115 1.00 30.13 O ATOM 1098 CB THR A 71 1.920 15.254 -24.057 1.00 22.34 C ATOM 1099 OG1 THR A 71 1.945 14.005 -23.356 1.00 41.11 O ATOM 1100 CG2 THR A 71 1.442 15.031 -25.484 1.00 25.04 C ATOM 0 H THR A 71 4.750 14.362 -24.009 1.00 4.42 H new ATOM 0 HA THR A 71 3.300 16.811 -24.631 1.00 71.54 H new ATOM 0 HB THR A 71 1.228 15.935 -23.562 1.00 22.34 H new ATOM 0 HG1 THR A 71 1.448 14.091 -22.516 1.00 41.11 H new ATOM 0 HG21 THR A 71 0.451 14.578 -25.469 1.00 25.04 H new ATOM 0 HG22 THR A 71 1.396 15.987 -26.006 1.00 25.04 H new ATOM 0 HG23 THR A 71 2.136 14.369 -26.001 1.00 25.04 H new ATOM 1108 N VAL A 72 2.831 16.979 -21.928 1.00 52.14 N ATOM 1109 CA VAL A 72 3.072 17.369 -20.544 1.00 62.04 C ATOM 1110 C VAL A 72 3.457 16.164 -19.693 1.00 53.21 C ATOM 1111 O VAL A 72 4.309 16.261 -18.811 1.00 33.40 O ATOM 1112 CB VAL A 72 1.833 18.045 -19.928 1.00 5.34 C ATOM 1113 CG1 VAL A 72 2.145 18.558 -18.530 1.00 22.32 C ATOM 1114 CG2 VAL A 72 1.343 19.174 -20.821 1.00 40.43 C ATOM 0 H VAL A 72 1.955 17.327 -22.318 1.00 52.14 H new ATOM 0 HA VAL A 72 3.897 18.081 -20.554 1.00 62.04 H new ATOM 0 HB VAL A 72 1.038 17.304 -19.849 1.00 5.34 H new ATOM 0 HG11 VAL A 72 1.258 19.033 -18.110 1.00 22.32 H new ATOM 0 HG12 VAL A 72 2.445 17.724 -17.895 1.00 22.32 H new ATOM 0 HG13 VAL A 72 2.955 19.285 -18.582 1.00 22.32 H new ATOM 0 HG21 VAL A 72 0.467 19.640 -20.370 1.00 40.43 H new ATOM 0 HG22 VAL A 72 2.132 19.917 -20.934 1.00 40.43 H new ATOM 0 HG23 VAL A 72 1.078 18.775 -21.800 1.00 40.43 H new ATOM 1124 N GLY A 73 2.822 15.028 -19.965 1.00 20.34 N ATOM 1125 CA GLY A 73 3.111 13.819 -19.215 1.00 43.20 C ATOM 1126 C GLY A 73 4.596 13.522 -19.144 1.00 41.42 C ATOM 1127 O GLY A 73 5.129 13.239 -18.071 1.00 10.40 O ATOM 0 H GLY A 73 2.113 14.923 -20.691 1.00 20.34 H new ATOM 0 HA2 GLY A 73 2.715 13.919 -18.204 1.00 43.20 H new ATOM 0 HA3 GLY A 73 2.597 12.977 -19.677 1.00 43.20 H new ATOM 1131 N ASP A 74 5.266 13.585 -20.290 1.00 14.12 N ATOM 1132 CA ASP A 74 6.698 13.320 -20.354 1.00 2.22 C ATOM 1133 C ASP A 74 7.472 14.305 -19.483 1.00 23.44 C ATOM 1134 O ASP A 74 8.397 13.921 -18.766 1.00 11.42 O ATOM 1135 CB ASP A 74 7.190 13.404 -21.800 1.00 31.53 C ATOM 1136 CG ASP A 74 6.576 12.335 -22.682 1.00 70.25 C ATOM 1137 OD1 ASP A 74 5.654 11.635 -22.213 1.00 43.50 O ATOM 1138 OD2 ASP A 74 7.018 12.197 -23.843 1.00 11.14 O ATOM 0 H ASP A 74 4.840 13.817 -21.187 1.00 14.12 H new ATOM 0 HA ASP A 74 6.873 12.313 -19.977 1.00 2.22 H new ATOM 0 HB2 ASP A 74 6.951 14.387 -22.206 1.00 31.53 H new ATOM 0 HB3 ASP A 74 8.276 13.307 -21.818 1.00 31.53 H new ATOM 1143 N VAL A 75 7.089 15.576 -19.551 1.00 33.55 N ATOM 1144 CA VAL A 75 7.746 16.615 -18.768 1.00 45.43 C ATOM 1145 C VAL A 75 7.733 16.276 -17.282 1.00 44.10 C ATOM 1146 O VAL A 75 8.759 16.359 -16.606 1.00 62.42 O ATOM 1147 CB VAL A 75 7.073 17.985 -18.977 1.00 24.01 C ATOM 1148 CG1 VAL A 75 7.887 19.086 -18.314 1.00 50.45 C ATOM 1149 CG2 VAL A 75 6.888 18.267 -20.460 1.00 71.52 C ATOM 0 H VAL A 75 6.327 15.911 -20.141 1.00 33.55 H new ATOM 0 HA VAL A 75 8.778 16.668 -19.116 1.00 45.43 H new ATOM 0 HB VAL A 75 6.089 17.962 -18.510 1.00 24.01 H new ATOM 0 HG11 VAL A 75 7.397 20.047 -18.472 1.00 50.45 H new ATOM 0 HG12 VAL A 75 7.963 18.889 -17.245 1.00 50.45 H new ATOM 0 HG13 VAL A 75 8.886 19.113 -18.750 1.00 50.45 H new ATOM 0 HG21 VAL A 75 6.411 19.239 -20.589 1.00 71.52 H new ATOM 0 HG22 VAL A 75 7.860 18.271 -20.954 1.00 71.52 H new ATOM 0 HG23 VAL A 75 6.260 17.493 -20.902 1.00 71.52 H new ATOM 1159 N VAL A 76 6.564 15.893 -16.778 1.00 44.32 N ATOM 1160 CA VAL A 76 6.417 15.539 -15.371 1.00 42.45 C ATOM 1161 C VAL A 76 7.424 14.469 -14.966 1.00 2.12 C ATOM 1162 O VAL A 76 8.154 14.628 -13.988 1.00 35.51 O ATOM 1163 CB VAL A 76 4.995 15.033 -15.066 1.00 21.11 C ATOM 1164 CG1 VAL A 76 4.868 14.651 -13.599 1.00 54.40 C ATOM 1165 CG2 VAL A 76 3.963 16.085 -15.444 1.00 32.55 C ATOM 0 H VAL A 76 5.705 15.820 -17.323 1.00 44.32 H new ATOM 0 HA VAL A 76 6.603 16.445 -14.795 1.00 42.45 H new ATOM 0 HB VAL A 76 4.808 14.142 -15.666 1.00 21.11 H new ATOM 0 HG11 VAL A 76 3.857 14.296 -13.402 1.00 54.40 H new ATOM 0 HG12 VAL A 76 5.582 13.861 -13.366 1.00 54.40 H new ATOM 0 HG13 VAL A 76 5.074 15.522 -12.977 1.00 54.40 H new ATOM 0 HG21 VAL A 76 2.964 15.711 -15.222 1.00 32.55 H new ATOM 0 HG22 VAL A 76 4.145 16.995 -14.872 1.00 32.55 H new ATOM 0 HG23 VAL A 76 4.040 16.304 -16.509 1.00 32.55 H new ATOM 1175 N ASN A 77 7.459 13.379 -15.725 1.00 34.30 N ATOM 1176 CA ASN A 77 8.377 12.281 -15.445 1.00 32.24 C ATOM 1177 C ASN A 77 9.820 12.698 -15.708 1.00 4.34 C ATOM 1178 O ASN A 77 10.757 12.107 -15.169 1.00 51.33 O ATOM 1179 CB ASN A 77 8.023 11.062 -16.299 1.00 30.32 C ATOM 1180 CG ASN A 77 6.528 10.920 -16.514 1.00 5.43 C ATOM 1181 OD1 ASN A 77 5.746 10.972 -15.565 1.00 20.44 O ATOM 1182 ND2 ASN A 77 6.125 10.741 -17.766 1.00 44.23 N ATOM 0 H ASN A 77 6.862 13.232 -16.539 1.00 34.30 H new ATOM 0 HA ASN A 77 8.279 12.019 -14.391 1.00 32.24 H new ATOM 0 HB2 ASN A 77 8.520 11.142 -17.266 1.00 30.32 H new ATOM 0 HB3 ASN A 77 8.405 10.162 -15.818 1.00 30.32 H new ATOM 0 HD21 ASN A 77 5.131 10.640 -17.972 1.00 44.23 H new ATOM 0 HD22 ASN A 77 6.809 10.704 -18.522 1.00 44.23 H new ATOM 1189 N PHE A 78 9.993 13.721 -16.538 1.00 52.14 N ATOM 1190 CA PHE A 78 11.322 14.218 -16.873 1.00 41.25 C ATOM 1191 C PHE A 78 11.915 15.011 -15.713 1.00 12.45 C ATOM 1192 O PHE A 78 12.955 14.646 -15.165 1.00 2.15 O ATOM 1193 CB PHE A 78 11.261 15.094 -18.126 1.00 42.53 C ATOM 1194 CG PHE A 78 11.421 14.324 -19.405 1.00 60.44 C ATOM 1195 CD1 PHE A 78 10.999 13.007 -19.493 1.00 65.42 C ATOM 1196 CD2 PHE A 78 11.992 14.916 -20.520 1.00 62.01 C ATOM 1197 CE1 PHE A 78 11.146 12.295 -20.669 1.00 21.12 C ATOM 1198 CE2 PHE A 78 12.141 14.209 -21.699 1.00 1.34 C ATOM 1199 CZ PHE A 78 11.716 12.897 -21.773 1.00 45.32 C ATOM 0 H PHE A 78 9.229 14.222 -16.991 1.00 52.14 H new ATOM 0 HA PHE A 78 11.965 13.360 -17.069 1.00 41.25 H new ATOM 0 HB2 PHE A 78 10.307 15.620 -18.145 1.00 42.53 H new ATOM 0 HB3 PHE A 78 12.042 15.852 -18.068 1.00 42.53 H new ATOM 0 HD1 PHE A 78 10.550 12.531 -18.633 1.00 65.42 H new ATOM 0 HD2 PHE A 78 12.325 15.942 -20.468 1.00 62.01 H new ATOM 0 HE1 PHE A 78 10.815 11.268 -20.724 1.00 21.12 H new ATOM 0 HE2 PHE A 78 12.589 14.682 -22.560 1.00 1.34 H new ATOM 0 HZ PHE A 78 11.829 12.343 -22.693 1.00 45.32 H new ATOM 1209 N ILE A 79 11.245 16.098 -15.344 1.00 5.51 N ATOM 1210 CA ILE A 79 11.705 16.943 -14.249 1.00 0.15 C ATOM 1211 C ILE A 79 11.687 16.185 -12.925 1.00 42.43 C ATOM 1212 O ILE A 79 12.396 16.541 -11.984 1.00 22.04 O ATOM 1213 CB ILE A 79 10.840 18.210 -14.113 1.00 52.03 C ATOM 1214 CG1 ILE A 79 10.772 18.953 -15.449 1.00 71.44 C ATOM 1215 CG2 ILE A 79 11.395 19.117 -13.025 1.00 34.42 C ATOM 1216 CD1 ILE A 79 10.070 20.290 -15.362 1.00 63.14 C ATOM 0 H ILE A 79 10.382 16.414 -15.787 1.00 5.51 H new ATOM 0 HA ILE A 79 12.728 17.235 -14.485 1.00 0.15 H new ATOM 0 HB ILE A 79 9.830 17.913 -13.831 1.00 52.03 H new ATOM 0 HG12 ILE A 79 11.785 19.107 -15.822 1.00 71.44 H new ATOM 0 HG13 ILE A 79 10.256 18.328 -16.177 1.00 71.44 H new ATOM 0 HG21 ILE A 79 10.773 20.008 -12.941 1.00 34.42 H new ATOM 0 HG22 ILE A 79 11.397 18.585 -12.074 1.00 34.42 H new ATOM 0 HG23 ILE A 79 12.414 19.409 -13.279 1.00 34.42 H new ATOM 0 HD11 ILE A 79 10.059 20.760 -16.345 1.00 63.14 H new ATOM 0 HD12 ILE A 79 9.046 20.142 -15.019 1.00 63.14 H new ATOM 0 HD13 ILE A 79 10.598 20.933 -14.658 1.00 63.14 H new ATOM 1228 N LYS A 80 10.873 15.137 -12.861 1.00 42.20 N ATOM 1229 CA LYS A 80 10.764 14.325 -11.655 1.00 1.42 C ATOM 1230 C LYS A 80 12.061 13.567 -11.390 1.00 10.41 C ATOM 1231 O LYS A 80 12.626 13.644 -10.299 1.00 14.45 O ATOM 1232 CB LYS A 80 9.601 13.339 -11.783 1.00 23.23 C ATOM 1233 CG LYS A 80 8.292 13.866 -11.223 1.00 14.33 C ATOM 1234 CD LYS A 80 7.127 12.956 -11.576 1.00 42.22 C ATOM 1235 CE LYS A 80 7.315 11.561 -11.000 1.00 43.20 C ATOM 1236 NZ LYS A 80 7.946 10.636 -11.982 1.00 33.10 N ATOM 0 H LYS A 80 10.279 14.830 -13.631 1.00 42.20 H new ATOM 0 HA LYS A 80 10.576 14.992 -10.814 1.00 1.42 H new ATOM 0 HB2 LYS A 80 9.462 13.089 -12.835 1.00 23.23 H new ATOM 0 HB3 LYS A 80 9.861 12.415 -11.267 1.00 23.23 H new ATOM 0 HG2 LYS A 80 8.369 13.956 -10.139 1.00 14.33 H new ATOM 0 HG3 LYS A 80 8.105 14.866 -11.614 1.00 14.33 H new ATOM 0 HD2 LYS A 80 6.200 13.386 -11.196 1.00 42.22 H new ATOM 0 HD3 LYS A 80 7.028 12.893 -12.660 1.00 42.22 H new ATOM 0 HE2 LYS A 80 7.934 11.618 -10.105 1.00 43.20 H new ATOM 0 HE3 LYS A 80 6.348 11.161 -10.694 1.00 43.20 H new ATOM 0 HZ1 LYS A 80 8.363 9.827 -11.479 1.00 33.10 H new ATOM 0 HZ2 LYS A 80 7.226 10.295 -12.650 1.00 33.10 H new ATOM 0 HZ3 LYS A 80 8.691 11.140 -12.504 1.00 33.10 H new ATOM 1250 N LYS A 81 12.529 12.836 -12.396 1.00 5.24 N ATOM 1251 CA LYS A 81 13.761 12.066 -12.273 1.00 45.02 C ATOM 1252 C LYS A 81 14.983 12.961 -12.457 1.00 20.13 C ATOM 1253 O LYS A 81 16.027 12.735 -11.845 1.00 63.31 O ATOM 1254 CB LYS A 81 13.785 10.935 -13.304 1.00 51.32 C ATOM 1255 CG LYS A 81 13.623 11.415 -14.736 1.00 73.53 C ATOM 1256 CD LYS A 81 14.950 11.423 -15.475 1.00 64.33 C ATOM 1257 CE LYS A 81 14.798 11.962 -16.889 1.00 72.34 C ATOM 1258 NZ LYS A 81 15.907 11.513 -17.776 1.00 53.55 N ATOM 0 H LYS A 81 12.074 12.761 -13.306 1.00 5.24 H new ATOM 0 HA LYS A 81 13.793 11.638 -11.271 1.00 45.02 H new ATOM 0 HB2 LYS A 81 14.727 10.394 -13.215 1.00 51.32 H new ATOM 0 HB3 LYS A 81 12.988 10.228 -13.074 1.00 51.32 H new ATOM 0 HG2 LYS A 81 12.918 10.769 -15.260 1.00 73.53 H new ATOM 0 HG3 LYS A 81 13.198 12.419 -14.738 1.00 73.53 H new ATOM 0 HD2 LYS A 81 15.669 12.033 -14.928 1.00 64.33 H new ATOM 0 HD3 LYS A 81 15.353 10.411 -15.512 1.00 64.33 H new ATOM 0 HE2 LYS A 81 13.845 11.632 -17.303 1.00 72.34 H new ATOM 0 HE3 LYS A 81 14.773 13.051 -16.862 1.00 72.34 H new ATOM 0 HZ1 LYS A 81 15.767 11.901 -18.731 1.00 53.55 H new ATOM 0 HZ2 LYS A 81 16.814 11.850 -17.395 1.00 53.55 H new ATOM 0 HZ3 LYS A 81 15.915 10.474 -17.823 1.00 53.55 H new ATOM 1272 N ARG A 82 14.844 13.978 -13.301 1.00 65.32 N ATOM 1273 CA ARG A 82 15.937 14.907 -13.564 1.00 71.43 C ATOM 1274 C ARG A 82 16.473 15.498 -12.264 1.00 13.32 C ATOM 1275 O ARG A 82 17.683 15.631 -12.081 1.00 40.04 O ATOM 1276 CB ARG A 82 15.468 16.029 -14.493 1.00 23.43 C ATOM 1277 CG ARG A 82 15.683 15.729 -15.967 1.00 63.21 C ATOM 1278 CD ARG A 82 15.479 16.969 -16.823 1.00 65.13 C ATOM 1279 NE ARG A 82 14.065 17.250 -17.051 1.00 14.41 N ATOM 1280 CZ ARG A 82 13.623 18.102 -17.970 1.00 4.44 C ATOM 1281 NH1 ARG A 82 14.482 18.752 -18.743 1.00 3.54 N ATOM 1282 NH2 ARG A 82 12.320 18.305 -18.117 1.00 3.12 N ATOM 0 H ARG A 82 13.986 14.180 -13.814 1.00 65.32 H new ATOM 0 HA ARG A 82 16.741 14.355 -14.050 1.00 71.43 H new ATOM 0 HB2 ARG A 82 14.408 16.214 -14.319 1.00 23.43 H new ATOM 0 HB3 ARG A 82 15.998 16.947 -14.237 1.00 23.43 H new ATOM 0 HG2 ARG A 82 16.691 15.343 -16.118 1.00 63.21 H new ATOM 0 HG3 ARG A 82 14.992 14.948 -16.285 1.00 63.21 H new ATOM 0 HD2 ARG A 82 15.945 17.826 -16.337 1.00 65.13 H new ATOM 0 HD3 ARG A 82 15.981 16.835 -17.781 1.00 65.13 H new ATOM 0 HE ARG A 82 13.378 16.766 -16.473 1.00 14.41 H new ATOM 0 HH11 ARG A 82 15.484 18.599 -18.633 1.00 3.54 H new ATOM 0 HH12 ARG A 82 14.140 19.405 -19.448 1.00 3.54 H new ATOM 0 HH21 ARG A 82 11.656 17.807 -17.524 1.00 3.12 H new ATOM 0 HH22 ARG A 82 11.982 18.959 -18.823 1.00 3.12 H new ATOM 1296 N LYS A 83 15.563 15.853 -11.362 1.00 62.05 N ATOM 1297 CA LYS A 83 15.942 16.430 -10.078 1.00 64.03 C ATOM 1298 C LYS A 83 15.926 15.371 -8.980 1.00 42.41 C ATOM 1299 O LYS A 83 16.854 15.282 -8.177 1.00 14.33 O ATOM 1300 CB LYS A 83 14.996 17.575 -9.711 1.00 43.42 C ATOM 1301 CG LYS A 83 15.534 18.481 -8.617 1.00 51.51 C ATOM 1302 CD LYS A 83 14.692 19.738 -8.469 1.00 73.44 C ATOM 1303 CE LYS A 83 15.356 20.749 -7.548 1.00 42.00 C ATOM 1304 NZ LYS A 83 14.625 22.046 -7.529 1.00 43.33 N ATOM 0 H LYS A 83 14.557 15.751 -11.497 1.00 62.05 H new ATOM 0 HA LYS A 83 16.956 16.820 -10.168 1.00 64.03 H new ATOM 0 HB2 LYS A 83 14.799 18.172 -10.601 1.00 43.42 H new ATOM 0 HB3 LYS A 83 14.042 17.158 -9.389 1.00 43.42 H new ATOM 0 HG2 LYS A 83 15.551 17.940 -7.671 1.00 51.51 H new ATOM 0 HG3 LYS A 83 16.564 18.757 -8.845 1.00 51.51 H new ATOM 0 HD2 LYS A 83 14.532 20.187 -9.449 1.00 73.44 H new ATOM 0 HD3 LYS A 83 13.710 19.475 -8.075 1.00 73.44 H new ATOM 0 HE2 LYS A 83 15.403 20.344 -6.537 1.00 42.00 H new ATOM 0 HE3 LYS A 83 16.383 20.916 -7.872 1.00 42.00 H new ATOM 0 HZ1 LYS A 83 15.109 22.708 -6.890 1.00 43.33 H new ATOM 0 HZ2 LYS A 83 14.602 22.446 -8.489 1.00 43.33 H new ATOM 0 HZ3 LYS A 83 13.652 21.891 -7.195 1.00 43.33 H new ATOM 1318 N GLY A 84 14.866 14.569 -8.953 1.00 11.53 N ATOM 1319 CA GLY A 84 14.750 13.527 -7.950 1.00 22.21 C ATOM 1320 C GLY A 84 15.700 12.372 -8.202 1.00 13.44 C ATOM 1321 O GLY A 84 16.469 12.391 -9.162 1.00 41.13 O ATOM 0 H GLY A 84 14.086 14.622 -9.608 1.00 11.53 H new ATOM 0 HA2 GLY A 84 14.950 13.950 -6.966 1.00 22.21 H new ATOM 0 HA3 GLY A 84 13.726 13.154 -7.934 1.00 22.21 H new