USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 722 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 91 SER OG : rot 25:sc= 0.53 USER MOD Set 1.2: A 93 THR OG1 : rot -86:sc= 0.678 USER MOD Set 1.3: A 94 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS :FLIP no HD1:sc= -0.445 F(o=-1,f=-0.44) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00396) USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00707) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 49:sc= 0.832 USER MOD Single : A 17 ASN : amide:sc= -0.0239 K(o=-0.024,f=-3.8!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 160:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.0214 (180deg=-0.157) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 28 HIS : no HD1:sc= -0.0841 X(o=-0.084,f=-0.073) USER MOD Single : A 30 MET CE :methyl 172:sc= 0 (180deg=-0.0597) USER MOD Single : A 34 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-5!) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 40 HIS :FLIP no HD1:sc=-0.000247 F(o=-0.83,f=-0.00025) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc=-0.00149 (180deg=-0.0597) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc=-0.00959 (180deg=-0.162) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0329 (180deg=-0.213) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.38 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.128) USER MOD Single : A 71 SER OG : rot 65:sc= 0.237 USER MOD Single : A 78 SER OG : rot 83:sc= 0.463 USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00859) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0786 K(o=-0.079,f=-3.2!) USER MOD Single : A 90 TYR OH : rot -131:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -1.625 -14.060 3.502 1.00 0.00 N ATOM 84 CA LYS A 7 -2.856 -13.422 2.982 1.00 0.00 C ATOM 85 C LYS A 7 -4.092 -14.123 3.584 1.00 0.00 C ATOM 86 O LYS A 7 -5.155 -14.178 2.952 1.00 0.00 O ATOM 87 CB LYS A 7 -2.894 -13.462 1.411 1.00 0.00 C ATOM 88 CG LYS A 7 -1.854 -12.566 0.678 1.00 0.00 C ATOM 89 CD LYS A 7 -0.410 -13.130 0.708 1.00 0.00 C ATOM 90 CE LYS A 7 0.617 -12.215 0.023 1.00 0.00 C ATOM 91 NZ LYS A 7 0.354 -12.037 -1.430 1.00 0.00 N ATOM 0 HA LYS A 7 -2.863 -12.373 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.745 -14.493 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.891 -13.168 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.164 -12.441 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.857 -11.576 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.111 -13.288 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.399 -14.105 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.610 -11.240 0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.615 -12.632 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.096 -11.439 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.354 -12.965 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.572 -11.582 -1.562 1.00 0.00 H new ATOM 105 N ILE A 8 -3.939 -14.608 4.834 1.00 0.00 N ATOM 106 CA ILE A 8 -4.953 -15.435 5.539 1.00 0.00 C ATOM 107 C ILE A 8 -6.320 -14.738 5.601 1.00 0.00 C ATOM 108 O ILE A 8 -7.354 -15.323 5.260 1.00 0.00 O ATOM 109 CB ILE A 8 -4.491 -15.751 7.016 1.00 0.00 C ATOM 110 CG1 ILE A 8 -3.118 -16.485 7.029 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.561 -16.566 7.794 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.568 -16.769 8.422 1.00 0.00 C ATOM 0 H ILE A 8 -3.102 -14.437 5.391 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.049 -16.358 4.968 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.372 -14.796 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.219 -17.428 6.492 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.393 -15.883 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.204 -16.762 8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.489 -15.996 7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.741 -17.512 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.610 -17.282 8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.431 -15.830 8.957 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.270 -17.399 8.969 1.00 0.00 H new ATOM 124 N PHE A 9 -6.297 -13.469 6.014 1.00 0.00 N ATOM 125 CA PHE A 9 -7.512 -12.678 6.234 1.00 0.00 C ATOM 126 C PHE A 9 -7.649 -11.586 5.155 1.00 0.00 C ATOM 127 O PHE A 9 -8.495 -10.716 5.289 1.00 0.00 O ATOM 128 CB PHE A 9 -7.480 -12.034 7.653 1.00 0.00 C ATOM 129 CG PHE A 9 -7.292 -13.016 8.814 1.00 0.00 C ATOM 130 CD1 PHE A 9 -8.294 -13.924 9.160 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.111 -13.031 9.561 1.00 0.00 C ATOM 132 CE1 PHE A 9 -8.120 -14.809 10.214 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.941 -13.911 10.613 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.946 -14.802 10.937 1.00 0.00 C ATOM 0 H PHE A 9 -5.435 -12.959 6.206 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.376 -13.339 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.673 -11.302 7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.411 -11.488 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.217 -13.938 8.600 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.317 -12.343 9.312 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.906 -15.505 10.469 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.023 -13.902 11.182 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.812 -15.493 11.756 1.00 0.00 H new ATOM 144 N LYS A 10 -6.837 -11.657 4.077 1.00 0.00 N ATOM 145 CA LYS A 10 -6.728 -10.565 3.073 1.00 0.00 C ATOM 146 C LYS A 10 -8.072 -10.295 2.351 1.00 0.00 C ATOM 147 O LYS A 10 -8.441 -9.135 2.129 1.00 0.00 O ATOM 148 CB LYS A 10 -5.605 -10.884 2.050 1.00 0.00 C ATOM 149 CG LYS A 10 -5.302 -9.770 1.012 1.00 0.00 C ATOM 150 CD LYS A 10 -5.006 -8.405 1.676 1.00 0.00 C ATOM 151 CE LYS A 10 -4.642 -7.304 0.674 1.00 0.00 C ATOM 152 NZ LYS A 10 -3.337 -7.550 0.014 1.00 0.00 N ATOM 0 H LYS A 10 -6.243 -12.462 3.876 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.469 -9.652 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.689 -11.101 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.877 -11.792 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.448 -10.067 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.152 -9.665 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.879 -8.091 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.187 -8.525 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.422 -7.234 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.611 -6.344 1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.111 -6.754 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.594 -7.641 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.389 -8.427 -0.542 1.00 0.00 H new ATOM 166 N ASN A 11 -8.793 -11.371 1.992 1.00 0.00 N ATOM 167 CA ASN A 11 -10.139 -11.260 1.374 1.00 0.00 C ATOM 168 C ASN A 11 -11.194 -10.917 2.450 1.00 0.00 C ATOM 169 O ASN A 11 -12.224 -10.289 2.159 1.00 0.00 O ATOM 170 CB ASN A 11 -10.534 -12.588 0.665 1.00 0.00 C ATOM 171 CG ASN A 11 -9.501 -13.075 -0.358 1.00 0.00 C ATOM 172 OD1 ASN A 11 -9.517 -12.668 -1.514 1.00 0.00 O ATOM 173 ND2 ASN A 11 -8.608 -13.967 0.059 1.00 0.00 N ATOM 0 H ASN A 11 -8.472 -12.331 2.117 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.105 -10.462 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.678 -13.362 1.419 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.492 -12.450 0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.911 -14.332 -0.590 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.620 -14.286 1.028 1.00 0.00 H new ATOM 180 N CYS A 12 -10.904 -11.328 3.700 1.00 0.00 N ATOM 181 CA CYS A 12 -11.830 -11.224 4.836 1.00 0.00 C ATOM 182 C CYS A 12 -11.715 -9.867 5.570 1.00 0.00 C ATOM 183 O CYS A 12 -10.634 -9.261 5.681 1.00 0.00 O ATOM 184 CB CYS A 12 -11.560 -12.382 5.826 1.00 0.00 C ATOM 185 SG CYS A 12 -11.693 -14.021 5.083 1.00 0.00 S ATOM 0 H CYS A 12 -10.008 -11.746 3.948 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.844 -11.291 4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.561 -12.263 6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.264 -12.311 6.655 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.449 -14.927 5.983 1.00 0.00 H new ATOM 191 N VAL A 13 -12.866 -9.384 6.036 1.00 0.00 N ATOM 192 CA VAL A 13 -12.953 -8.278 6.993 1.00 0.00 C ATOM 193 C VAL A 13 -13.570 -8.839 8.290 1.00 0.00 C ATOM 194 O VAL A 13 -14.621 -9.496 8.237 1.00 0.00 O ATOM 195 CB VAL A 13 -13.814 -7.092 6.438 1.00 0.00 C ATOM 196 CG1 VAL A 13 -13.725 -5.863 7.369 1.00 0.00 C ATOM 197 CG2 VAL A 13 -13.404 -6.722 4.988 1.00 0.00 C ATOM 0 H VAL A 13 -13.775 -9.753 5.757 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.958 -7.873 7.179 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.852 -7.423 6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.331 -5.054 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.094 -6.129 8.360 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.687 -5.537 7.443 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.021 -5.896 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.356 -6.424 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.547 -7.585 4.338 1.00 0.00 H new ATOM 207 N ILE A 14 -12.909 -8.612 9.449 1.00 0.00 N ATOM 208 CA ILE A 14 -13.297 -9.249 10.734 1.00 0.00 C ATOM 209 C ILE A 14 -13.591 -8.185 11.834 1.00 0.00 C ATOM 210 O ILE A 14 -12.780 -7.308 12.093 1.00 0.00 O ATOM 211 CB ILE A 14 -12.187 -10.252 11.258 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.827 -11.379 10.220 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.604 -10.886 12.603 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.833 -10.979 9.146 1.00 0.00 C ATOM 0 H ILE A 14 -12.103 -7.992 9.523 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.208 -9.813 10.532 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.288 -9.653 11.402 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.425 -12.235 10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.746 -11.711 9.736 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.825 -11.570 12.940 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.745 -10.102 13.347 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.537 -11.435 12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.653 -11.825 8.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.236 -10.146 8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.895 -10.678 9.612 1.00 0.00 H new ATOM 226 N TYR A 15 -14.765 -8.302 12.474 1.00 0.00 N ATOM 227 CA TYR A 15 -15.206 -7.468 13.617 1.00 0.00 C ATOM 228 C TYR A 15 -15.179 -8.323 14.887 1.00 0.00 C ATOM 229 O TYR A 15 -15.322 -9.530 14.805 1.00 0.00 O ATOM 230 CB TYR A 15 -16.640 -6.923 13.343 1.00 0.00 C ATOM 231 CG TYR A 15 -17.386 -6.304 14.549 1.00 0.00 C ATOM 232 CD1 TYR A 15 -16.884 -5.196 15.233 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.605 -6.831 14.995 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.564 -4.650 16.310 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.283 -6.286 16.064 1.00 0.00 C ATOM 236 CZ TYR A 15 -18.760 -5.199 16.718 1.00 0.00 C ATOM 237 OH TYR A 15 -19.435 -4.662 17.796 1.00 0.00 O ATOM 0 H TYR A 15 -15.459 -9.000 12.206 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.538 -6.616 13.747 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.574 -6.169 12.559 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.246 -7.739 12.950 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -15.949 -4.756 14.918 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.025 -7.687 14.488 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.157 -3.795 16.829 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.222 -6.713 16.385 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.498 -3.690 17.691 1.00 0.00 H new ATOM 247 N ILE A 16 -14.962 -7.695 16.055 1.00 0.00 N ATOM 248 CA ILE A 16 -14.987 -8.379 17.360 1.00 0.00 C ATOM 249 C ILE A 16 -16.102 -7.780 18.226 1.00 0.00 C ATOM 250 O ILE A 16 -16.120 -6.571 18.475 1.00 0.00 O ATOM 251 CB ILE A 16 -13.598 -8.261 18.072 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.481 -8.886 17.168 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.629 -8.920 19.474 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.077 -8.741 17.700 1.00 0.00 C ATOM 0 H ILE A 16 -14.764 -6.697 16.121 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.189 -9.439 17.207 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.370 -7.206 18.221 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.695 -9.946 17.033 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.530 -8.423 16.183 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.650 -8.822 19.944 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.379 -8.426 20.092 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.880 -9.976 19.374 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.375 -9.204 17.006 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.836 -7.683 17.808 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.003 -9.231 18.671 1.00 0.00 H new ATOM 266 N ASN A 17 -17.021 -8.649 18.676 1.00 0.00 N ATOM 267 CA ASN A 17 -18.230 -8.264 19.424 1.00 0.00 C ATOM 268 C ASN A 17 -18.176 -8.879 20.834 1.00 0.00 C ATOM 269 O ASN A 17 -17.832 -10.059 20.989 1.00 0.00 O ATOM 270 CB ASN A 17 -19.488 -8.752 18.654 1.00 0.00 C ATOM 271 CG ASN A 17 -20.821 -8.155 19.139 1.00 0.00 C ATOM 272 OD1 ASN A 17 -21.011 -7.846 20.317 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.754 -7.978 18.213 1.00 0.00 N ATOM 0 H ASN A 17 -16.944 -9.655 18.528 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.281 -7.180 19.521 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.364 -8.514 17.598 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.544 -9.838 18.731 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.656 -7.577 18.468 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.569 -8.243 17.246 1.00 0.00 H new ATOM 280 N GLY A 18 -18.522 -8.067 21.851 1.00 0.00 N ATOM 281 CA GLY A 18 -18.562 -8.516 23.248 1.00 0.00 C ATOM 282 C GLY A 18 -17.171 -8.717 23.844 1.00 0.00 C ATOM 283 O GLY A 18 -16.264 -7.914 23.593 1.00 0.00 O ATOM 0 H GLY A 18 -18.779 -7.088 21.725 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.106 -7.784 23.845 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.117 -9.452 23.308 1.00 0.00 H new ATOM 287 N TYR A 19 -17.009 -9.789 24.641 1.00 0.00 N ATOM 288 CA TYR A 19 -15.731 -10.126 25.295 1.00 0.00 C ATOM 289 C TYR A 19 -15.173 -11.421 24.699 1.00 0.00 C ATOM 290 O TYR A 19 -15.838 -12.463 24.736 1.00 0.00 O ATOM 291 CB TYR A 19 -15.931 -10.275 26.822 1.00 0.00 C ATOM 292 CG TYR A 19 -16.486 -8.999 27.480 1.00 0.00 C ATOM 293 CD1 TYR A 19 -15.684 -7.863 27.636 1.00 0.00 C ATOM 294 CD2 TYR A 19 -17.816 -8.919 27.908 1.00 0.00 C ATOM 295 CE1 TYR A 19 -16.181 -6.706 28.208 1.00 0.00 C ATOM 296 CE2 TYR A 19 -18.314 -7.758 28.477 1.00 0.00 C ATOM 297 CZ TYR A 19 -17.492 -6.660 28.624 1.00 0.00 C ATOM 298 OH TYR A 19 -17.986 -5.504 29.188 1.00 0.00 O ATOM 0 H TYR A 19 -17.761 -10.446 24.850 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.018 -9.320 25.121 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.613 -11.103 27.015 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.978 -10.532 27.285 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.657 -7.890 27.303 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.464 -9.775 27.793 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.543 -5.843 28.328 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.342 -7.713 28.804 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.927 -5.633 29.427 1.00 0.00 H new ATOM 308 N THR A 20 -13.966 -11.331 24.122 1.00 0.00 N ATOM 309 CA THR A 20 -13.276 -12.473 23.502 1.00 0.00 C ATOM 310 C THR A 20 -11.819 -12.509 23.973 1.00 0.00 C ATOM 311 O THR A 20 -11.220 -11.456 24.253 1.00 0.00 O ATOM 312 CB THR A 20 -13.326 -12.390 21.943 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.704 -11.178 21.500 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.769 -12.449 21.410 1.00 0.00 C ATOM 0 H THR A 20 -13.438 -10.460 24.072 1.00 0.00 H new ATOM 0 HA THR A 20 -13.786 -13.386 23.807 1.00 0.00 H new ATOM 0 HB THR A 20 -12.787 -13.253 21.551 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.448 -11.267 20.558 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.758 -12.388 20.322 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.232 -13.387 21.716 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.341 -11.613 21.814 1.00 0.00 H new ATOM 322 N LYS A 21 -11.270 -13.727 24.096 1.00 0.00 N ATOM 323 CA LYS A 21 -9.871 -13.947 24.487 1.00 0.00 C ATOM 324 C LYS A 21 -9.063 -14.455 23.274 1.00 0.00 C ATOM 325 O LYS A 21 -9.553 -15.307 22.542 1.00 0.00 O ATOM 326 CB LYS A 21 -9.759 -14.963 25.645 1.00 0.00 C ATOM 327 CG LYS A 21 -10.730 -14.718 26.824 1.00 0.00 C ATOM 328 CD LYS A 21 -10.538 -13.341 27.513 1.00 0.00 C ATOM 329 CE LYS A 21 -9.150 -13.186 28.156 1.00 0.00 C ATOM 330 NZ LYS A 21 -8.871 -14.265 29.139 1.00 0.00 N ATOM 0 H LYS A 21 -11.787 -14.590 23.926 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.466 -12.995 24.831 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.936 -15.963 25.250 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.738 -14.947 26.025 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.755 -14.793 26.461 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.595 -15.507 27.564 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.684 -12.549 26.779 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.304 -13.212 28.277 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.386 -13.197 27.378 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.086 -12.218 28.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.007 -14.035 29.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.671 -14.350 29.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.739 -15.166 28.637 1.00 0.00 H new ATOM 344 N PRO A 22 -7.827 -13.925 23.018 1.00 0.00 N ATOM 345 CA PRO A 22 -7.224 -12.789 23.763 1.00 0.00 C ATOM 346 C PRO A 22 -7.869 -11.440 23.366 1.00 0.00 C ATOM 347 O PRO A 22 -8.748 -11.412 22.497 1.00 0.00 O ATOM 348 CB PRO A 22 -5.735 -12.873 23.364 1.00 0.00 C ATOM 349 CG PRO A 22 -5.781 -13.374 21.954 1.00 0.00 C ATOM 350 CD PRO A 22 -6.902 -14.402 21.953 1.00 0.00 C ATOM 0 HA PRO A 22 -7.374 -12.845 24.841 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.246 -11.901 23.429 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.183 -13.552 24.014 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.983 -12.565 21.252 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.831 -13.821 21.660 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.399 -14.450 20.984 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.527 -15.402 22.168 1.00 0.00 H new ATOM 358 N GLY A 23 -7.431 -10.355 24.028 1.00 0.00 N ATOM 359 CA GLY A 23 -8.032 -9.023 23.888 1.00 0.00 C ATOM 360 C GLY A 23 -8.279 -8.580 22.446 1.00 0.00 C ATOM 361 O GLY A 23 -7.507 -8.925 21.550 1.00 0.00 O ATOM 0 H GLY A 23 -6.645 -10.381 24.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.980 -9.009 24.425 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.382 -8.294 24.371 1.00 0.00 H new ATOM 365 N ARG A 24 -9.355 -7.803 22.251 1.00 0.00 N ATOM 366 CA ARG A 24 -9.850 -7.396 20.924 1.00 0.00 C ATOM 367 C ARG A 24 -8.793 -6.635 20.107 1.00 0.00 C ATOM 368 O ARG A 24 -8.721 -6.810 18.896 1.00 0.00 O ATOM 369 CB ARG A 24 -11.162 -6.579 21.069 1.00 0.00 C ATOM 370 CG ARG A 24 -11.048 -5.328 21.965 1.00 0.00 C ATOM 371 CD ARG A 24 -12.378 -4.567 22.101 1.00 0.00 C ATOM 372 NE ARG A 24 -12.221 -3.351 22.921 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.200 -2.727 23.584 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.453 -3.175 23.551 1.00 0.00 N ATOM 375 NH2 ARG A 24 -12.905 -1.654 24.291 1.00 0.00 N ATOM 0 H ARG A 24 -9.914 -7.434 23.020 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.067 -8.304 20.361 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.493 -6.270 20.077 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.936 -7.230 21.475 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.703 -5.626 22.955 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.293 -4.659 21.552 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.746 -4.295 21.112 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.127 -5.218 22.552 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.285 -2.952 22.988 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.682 -4.010 23.012 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.184 -2.683 24.065 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.944 -1.314 24.325 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.638 -1.164 24.804 1.00 0.00 H new ATOM 389 N LEU A 25 -7.972 -5.806 20.778 1.00 0.00 N ATOM 390 CA LEU A 25 -6.906 -5.037 20.104 1.00 0.00 C ATOM 391 C LEU A 25 -5.784 -5.982 19.602 1.00 0.00 C ATOM 392 O LEU A 25 -5.185 -5.736 18.547 1.00 0.00 O ATOM 393 CB LEU A 25 -6.386 -3.889 21.032 1.00 0.00 C ATOM 394 CG LEU A 25 -5.684 -4.280 22.393 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.169 -4.567 22.227 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.918 -3.202 23.484 1.00 0.00 C ATOM 0 H LEU A 25 -8.025 -5.651 21.785 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.315 -4.552 19.217 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.681 -3.290 20.455 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.233 -3.245 21.269 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.153 -5.209 22.718 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.740 -4.830 23.194 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.030 -5.394 21.531 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.671 -3.679 21.839 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.421 -3.504 24.406 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.510 -2.249 23.147 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.987 -3.095 23.666 1.00 0.00 H new ATOM 408 N GLN A 26 -5.544 -7.080 20.357 1.00 0.00 N ATOM 409 CA GLN A 26 -4.527 -8.100 20.014 1.00 0.00 C ATOM 410 C GLN A 26 -4.959 -8.891 18.765 1.00 0.00 C ATOM 411 O GLN A 26 -4.208 -8.970 17.788 1.00 0.00 O ATOM 412 CB GLN A 26 -4.301 -9.062 21.223 1.00 0.00 C ATOM 413 CG GLN A 26 -3.316 -10.224 20.974 1.00 0.00 C ATOM 414 CD GLN A 26 -1.917 -9.767 20.544 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.627 -9.632 19.355 1.00 0.00 O ATOM 416 NE2 GLN A 26 -1.041 -9.514 21.509 1.00 0.00 N ATOM 0 H GLN A 26 -6.049 -7.283 21.219 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.587 -7.596 19.791 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.938 -8.476 22.068 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.264 -9.481 21.516 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.231 -10.817 21.884 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.727 -10.878 20.205 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.309 -9.635 22.486 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.100 -9.199 21.274 1.00 0.00 H new ATOM 425 N LEU A 27 -6.188 -9.445 18.811 1.00 0.00 N ATOM 426 CA LEU A 27 -6.801 -10.164 17.674 1.00 0.00 C ATOM 427 C LEU A 27 -6.885 -9.278 16.415 1.00 0.00 C ATOM 428 O LEU A 27 -6.631 -9.752 15.312 1.00 0.00 O ATOM 429 CB LEU A 27 -8.214 -10.668 18.051 1.00 0.00 C ATOM 430 CG LEU A 27 -8.286 -11.832 19.077 1.00 0.00 C ATOM 431 CD1 LEU A 27 -9.746 -12.112 19.506 1.00 0.00 C ATOM 432 CD2 LEU A 27 -7.618 -13.103 18.505 1.00 0.00 C ATOM 0 H LEU A 27 -6.784 -9.407 19.638 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.160 -11.016 17.447 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.781 -9.827 18.450 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.717 -10.987 17.138 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.736 -11.531 19.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.763 -12.932 20.224 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.168 -11.218 19.965 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.337 -12.384 18.631 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.678 -13.907 19.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.132 -13.405 17.592 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.572 -12.895 18.281 1.00 0.00 H new ATOM 444 N HIS A 28 -7.238 -7.987 16.605 1.00 0.00 N ATOM 445 CA HIS A 28 -7.344 -7.010 15.496 1.00 0.00 C ATOM 446 C HIS A 28 -5.989 -6.818 14.785 1.00 0.00 C ATOM 447 O HIS A 28 -5.943 -6.724 13.557 1.00 0.00 O ATOM 448 CB HIS A 28 -7.932 -5.651 15.991 1.00 0.00 C ATOM 449 CG HIS A 28 -9.444 -5.614 16.088 1.00 0.00 C ATOM 450 ND1 HIS A 28 -10.123 -4.883 17.039 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.402 -6.162 15.298 1.00 0.00 C ATOM 452 CE1 HIS A 28 -11.422 -4.986 16.837 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.624 -5.753 15.782 1.00 0.00 N ATOM 0 H HIS A 28 -7.456 -7.595 17.521 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.040 -7.417 14.763 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.513 -5.425 16.971 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.605 -4.861 15.315 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.236 -6.803 14.445 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.192 -4.521 17.435 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.533 -6.001 15.391 1.00 0.00 H new ATOM 462 N GLU A 29 -4.889 -6.797 15.556 1.00 0.00 N ATOM 463 CA GLU A 29 -3.519 -6.710 14.993 1.00 0.00 C ATOM 464 C GLU A 29 -3.103 -8.037 14.327 1.00 0.00 C ATOM 465 O GLU A 29 -2.411 -8.034 13.302 1.00 0.00 O ATOM 466 CB GLU A 29 -2.496 -6.285 16.078 1.00 0.00 C ATOM 467 CG GLU A 29 -2.631 -4.814 16.517 1.00 0.00 C ATOM 468 CD GLU A 29 -1.589 -4.389 17.561 1.00 0.00 C ATOM 469 OE1 GLU A 29 -0.416 -4.159 17.189 1.00 0.00 O ATOM 470 OE2 GLU A 29 -1.936 -4.278 18.757 1.00 0.00 O ATOM 0 H GLU A 29 -4.916 -6.839 16.575 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.526 -5.941 14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.617 -6.927 16.950 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.488 -6.450 15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.539 -4.172 15.641 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.629 -4.655 16.926 1.00 0.00 H new ATOM 477 N MET A 30 -3.552 -9.169 14.903 1.00 0.00 N ATOM 478 CA MET A 30 -3.325 -10.518 14.321 1.00 0.00 C ATOM 479 C MET A 30 -3.974 -10.629 12.926 1.00 0.00 C ATOM 480 O MET A 30 -3.492 -11.358 12.061 1.00 0.00 O ATOM 481 CB MET A 30 -3.858 -11.636 15.263 1.00 0.00 C ATOM 482 CG MET A 30 -3.052 -11.830 16.552 1.00 0.00 C ATOM 483 SD MET A 30 -3.645 -13.233 17.532 1.00 0.00 S ATOM 484 CE MET A 30 -2.376 -13.370 18.796 1.00 0.00 C ATOM 0 H MET A 30 -4.078 -9.181 15.777 1.00 0.00 H new ATOM 0 HA MET A 30 -2.249 -10.655 14.212 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.890 -11.407 15.528 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.871 -12.578 14.714 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.002 -11.983 16.301 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.107 -10.922 17.152 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.686 -14.098 19.546 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.441 -13.696 18.339 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.229 -12.400 19.271 1.00 0.00 H new ATOM 494 N ILE A 31 -5.089 -9.915 12.742 1.00 0.00 N ATOM 495 CA ILE A 31 -5.763 -9.790 11.439 1.00 0.00 C ATOM 496 C ILE A 31 -4.902 -8.975 10.446 1.00 0.00 C ATOM 497 O ILE A 31 -4.610 -9.444 9.341 1.00 0.00 O ATOM 498 CB ILE A 31 -7.187 -9.138 11.632 1.00 0.00 C ATOM 499 CG1 ILE A 31 -8.084 -10.038 12.550 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.891 -8.856 10.284 1.00 0.00 C ATOM 501 CD1 ILE A 31 -9.297 -9.336 13.148 1.00 0.00 C ATOM 0 H ILE A 31 -5.554 -9.405 13.493 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.893 -10.785 11.014 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.037 -8.175 12.120 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.427 -10.895 11.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.471 -10.428 13.362 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.867 -8.408 10.470 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.284 -8.171 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.019 -9.791 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.855 -10.038 13.767 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.967 -8.496 13.760 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.938 -8.970 12.346 1.00 0.00 H new ATOM 513 N VAL A 32 -4.451 -7.787 10.887 1.00 0.00 N ATOM 514 CA VAL A 32 -3.733 -6.812 10.029 1.00 0.00 C ATOM 515 C VAL A 32 -2.414 -7.378 9.456 1.00 0.00 C ATOM 516 O VAL A 32 -2.173 -7.311 8.245 1.00 0.00 O ATOM 517 CB VAL A 32 -3.433 -5.486 10.812 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.620 -4.492 9.953 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.738 -4.834 11.299 1.00 0.00 C ATOM 0 H VAL A 32 -4.572 -7.470 11.849 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.398 -6.601 9.191 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.829 -5.747 11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.431 -3.585 10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.671 -4.947 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.184 -4.241 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.507 -3.916 11.839 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.370 -4.601 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.263 -5.522 11.961 1.00 0.00 H new ATOM 529 N LEU A 33 -1.583 -7.945 10.344 1.00 0.00 N ATOM 530 CA LEU A 33 -0.243 -8.467 9.990 1.00 0.00 C ATOM 531 C LEU A 33 -0.320 -9.704 9.059 1.00 0.00 C ATOM 532 O LEU A 33 0.693 -10.129 8.500 1.00 0.00 O ATOM 533 CB LEU A 33 0.571 -8.772 11.289 1.00 0.00 C ATOM 534 CG LEU A 33 1.278 -7.551 11.982 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.272 -6.860 11.021 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.269 -6.534 12.562 1.00 0.00 C ATOM 0 H LEU A 33 -1.816 -8.057 11.331 1.00 0.00 H new ATOM 0 HA LEU A 33 0.279 -7.695 9.424 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.103 -9.231 12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.332 -9.514 11.047 1.00 0.00 H new ATOM 0 HG LEU A 33 1.841 -7.953 12.824 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.745 -6.020 11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.036 -7.574 10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.737 -6.499 10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.810 -5.711 13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.359 -6.147 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.356 -7.026 13.307 1.00 0.00 H new ATOM 548 N HIS A 34 -1.526 -10.282 8.918 1.00 0.00 N ATOM 549 CA HIS A 34 -1.801 -11.417 8.008 1.00 0.00 C ATOM 550 C HIS A 34 -2.651 -10.943 6.809 1.00 0.00 C ATOM 551 O HIS A 34 -3.396 -11.724 6.191 1.00 0.00 O ATOM 552 CB HIS A 34 -2.452 -12.560 8.820 1.00 0.00 C ATOM 553 CG HIS A 34 -1.539 -13.053 9.921 1.00 0.00 C ATOM 554 ND1 HIS A 34 -1.209 -12.273 11.007 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.811 -14.185 10.051 1.00 0.00 C ATOM 556 CE1 HIS A 34 -0.331 -12.899 11.752 1.00 0.00 C ATOM 557 NE2 HIS A 34 -0.071 -14.060 11.200 1.00 0.00 N ATOM 0 H HIS A 34 -2.348 -9.974 9.437 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.878 -11.809 7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.389 -12.211 9.253 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.697 -13.386 8.153 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.590 -11.347 11.202 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.812 -15.029 9.377 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.105 -12.523 12.666 1.00 0.00 H new ATOM 566 N GLY A 35 -2.510 -9.632 6.502 1.00 0.00 N ATOM 567 CA GLY A 35 -3.075 -9.005 5.305 1.00 0.00 C ATOM 568 C GLY A 35 -4.476 -8.451 5.499 1.00 0.00 C ATOM 569 O GLY A 35 -4.932 -7.626 4.702 1.00 0.00 O ATOM 0 H GLY A 35 -1.993 -8.980 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.417 -8.197 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.094 -9.738 4.498 1.00 0.00 H new ATOM 573 N GLY A 36 -5.128 -8.860 6.586 1.00 0.00 N ATOM 574 CA GLY A 36 -6.564 -8.690 6.741 1.00 0.00 C ATOM 575 C GLY A 36 -7.028 -7.304 7.108 1.00 0.00 C ATOM 576 O GLY A 36 -6.263 -6.488 7.647 1.00 0.00 O ATOM 0 H GLY A 36 -4.675 -9.316 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.047 -8.978 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.912 -9.383 7.507 1.00 0.00 H new ATOM 580 N LYS A 37 -8.317 -7.059 6.831 1.00 0.00 N ATOM 581 CA LYS A 37 -9.014 -5.825 7.214 1.00 0.00 C ATOM 582 C LYS A 37 -9.905 -6.133 8.426 1.00 0.00 C ATOM 583 O LYS A 37 -10.340 -7.280 8.601 1.00 0.00 O ATOM 584 CB LYS A 37 -9.865 -5.318 6.015 1.00 0.00 C ATOM 585 CG LYS A 37 -10.493 -3.917 6.208 1.00 0.00 C ATOM 586 CD LYS A 37 -11.402 -3.490 5.027 1.00 0.00 C ATOM 587 CE LYS A 37 -10.690 -3.574 3.660 1.00 0.00 C ATOM 588 NZ LYS A 37 -9.435 -2.782 3.625 1.00 0.00 N ATOM 0 H LYS A 37 -8.910 -7.720 6.329 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.301 -5.044 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.237 -5.299 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.664 -6.035 5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.077 -3.911 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.697 -3.182 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.288 -4.125 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.745 -2.468 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.465 -4.616 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.363 -3.217 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.039 -2.801 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.637 -1.799 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.748 -3.190 4.290 1.00 0.00 H new ATOM 602 N PHE A 38 -10.175 -5.124 9.264 1.00 0.00 N ATOM 603 CA PHE A 38 -11.070 -5.276 10.421 1.00 0.00 C ATOM 604 C PHE A 38 -12.010 -4.072 10.561 1.00 0.00 C ATOM 605 O PHE A 38 -11.736 -2.984 10.038 1.00 0.00 O ATOM 606 CB PHE A 38 -10.260 -5.520 11.738 1.00 0.00 C ATOM 607 CG PHE A 38 -9.512 -4.320 12.340 1.00 0.00 C ATOM 608 CD1 PHE A 38 -10.172 -3.393 13.160 1.00 0.00 C ATOM 609 CD2 PHE A 38 -8.153 -4.134 12.126 1.00 0.00 C ATOM 610 CE1 PHE A 38 -9.499 -2.334 13.728 1.00 0.00 C ATOM 611 CE2 PHE A 38 -7.480 -3.074 12.705 1.00 0.00 C ATOM 612 CZ PHE A 38 -8.152 -2.172 13.499 1.00 0.00 C ATOM 0 H PHE A 38 -9.784 -4.187 9.162 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.687 -6.157 10.245 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.949 -5.900 12.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.532 -6.308 11.545 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.229 -3.512 13.350 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.613 -4.827 11.498 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.029 -1.631 14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.421 -2.953 12.533 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.624 -1.340 13.941 1.00 0.00 H new ATOM 622 N LEU A 39 -13.124 -4.298 11.280 1.00 0.00 N ATOM 623 CA LEU A 39 -13.995 -3.234 11.796 1.00 0.00 C ATOM 624 C LEU A 39 -13.872 -3.211 13.326 1.00 0.00 C ATOM 625 O LEU A 39 -13.959 -4.260 13.982 1.00 0.00 O ATOM 626 CB LEU A 39 -15.487 -3.405 11.346 1.00 0.00 C ATOM 627 CG LEU A 39 -15.941 -2.575 10.095 1.00 0.00 C ATOM 628 CD1 LEU A 39 -15.768 -1.060 10.324 1.00 0.00 C ATOM 629 CD2 LEU A 39 -15.229 -3.032 8.811 1.00 0.00 C ATOM 0 H LEU A 39 -13.446 -5.236 11.520 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.671 -2.281 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.661 -4.460 11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.129 -3.136 12.185 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.005 -2.767 9.958 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.093 -0.518 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -16.370 -0.750 11.178 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.719 -0.839 10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.574 -2.430 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.152 -2.909 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.456 -4.082 8.623 1.00 0.00 H new ATOM 641 N HIS A 40 -13.601 -2.011 13.864 1.00 0.00 N ATOM 642 CA HIS A 40 -13.601 -1.754 15.314 1.00 0.00 C ATOM 643 C HIS A 40 -15.041 -1.782 15.865 1.00 0.00 C ATOM 644 O HIS A 40 -15.270 -2.219 17.000 1.00 0.00 O ATOM 645 CB HIS A 40 -12.892 -0.404 15.649 1.00 0.00 C ATOM 646 CG HIS A 40 -13.484 0.861 15.036 1.00 0.00 C ATOM 647 ND1 HIS A 40 -14.302 1.066 13.965 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -13.185 2.122 15.517 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -14.468 2.422 13.829 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -13.783 3.033 14.775 1.00 0.00 N flip ATOM 0 H HIS A 40 -13.375 -1.189 13.304 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.035 -2.548 15.801 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.886 -0.284 16.732 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.852 -0.480 15.331 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.557 2.329 16.371 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.063 2.909 13.070 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.725 4.042 14.910 1.00 0.00 H new ATOM 659 N TYR A 41 -15.996 -1.331 15.023 1.00 0.00 N ATOM 660 CA TYR A 41 -17.425 -1.260 15.351 1.00 0.00 C ATOM 661 C TYR A 41 -18.208 -0.904 14.073 1.00 0.00 C ATOM 662 O TYR A 41 -17.674 -0.227 13.186 1.00 0.00 O ATOM 663 CB TYR A 41 -17.698 -0.228 16.482 1.00 0.00 C ATOM 664 CG TYR A 41 -19.091 -0.359 17.120 1.00 0.00 C ATOM 665 CD1 TYR A 41 -19.388 -1.433 17.964 1.00 0.00 C ATOM 666 CD2 TYR A 41 -20.110 0.565 16.871 1.00 0.00 C ATOM 667 CE1 TYR A 41 -20.637 -1.569 18.540 1.00 0.00 C ATOM 668 CE2 TYR A 41 -21.362 0.430 17.449 1.00 0.00 C ATOM 669 CZ TYR A 41 -21.621 -0.644 18.277 1.00 0.00 C ATOM 670 OH TYR A 41 -22.868 -0.789 18.858 1.00 0.00 O ATOM 0 H TYR A 41 -15.785 -1.002 14.081 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.757 -2.229 15.724 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -16.941 -0.345 17.258 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -17.587 0.778 16.077 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.627 -2.171 18.170 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -19.917 1.401 16.215 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -20.841 -2.402 19.197 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -22.132 1.162 17.253 1.00 0.00 H new ATOM 0 HH TYR A 41 -23.449 -0.053 18.573 1.00 0.00 H new ATOM 743 N LYS A 46 -23.764 -3.371 7.218 1.00 0.00 N ATOM 744 CA LYS A 46 -23.177 -4.674 6.855 1.00 0.00 C ATOM 745 C LYS A 46 -21.907 -4.456 6.003 1.00 0.00 C ATOM 746 O LYS A 46 -21.862 -4.799 4.814 1.00 0.00 O ATOM 747 CB LYS A 46 -24.231 -5.568 6.109 1.00 0.00 C ATOM 748 CG LYS A 46 -25.372 -6.156 6.991 1.00 0.00 C ATOM 749 CD LYS A 46 -26.348 -5.098 7.575 1.00 0.00 C ATOM 750 CE LYS A 46 -27.140 -4.349 6.487 1.00 0.00 C ATOM 751 NZ LYS A 46 -27.998 -5.256 5.678 1.00 0.00 N ATOM 0 HA LYS A 46 -22.890 -5.204 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.682 -4.976 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.705 -6.395 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -25.943 -6.869 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.926 -6.714 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.046 -5.590 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.783 -4.378 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.763 -3.587 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -26.444 -3.830 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.584 -4.693 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.397 -5.903 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -28.613 -5.808 6.310 1.00 0.00 H new ATOM 765 N THR A 47 -20.893 -3.839 6.627 1.00 0.00 N ATOM 766 CA THR A 47 -19.599 -3.533 5.990 1.00 0.00 C ATOM 767 C THR A 47 -18.612 -4.700 6.200 1.00 0.00 C ATOM 768 O THR A 47 -17.761 -4.981 5.342 1.00 0.00 O ATOM 769 CB THR A 47 -19.010 -2.209 6.586 1.00 0.00 C ATOM 770 OG1 THR A 47 -20.027 -1.188 6.570 1.00 0.00 O ATOM 771 CG2 THR A 47 -17.770 -1.714 5.806 1.00 0.00 C ATOM 0 H THR A 47 -20.947 -3.534 7.599 1.00 0.00 H new ATOM 0 HA THR A 47 -19.755 -3.399 4.920 1.00 0.00 H new ATOM 0 HB THR A 47 -18.691 -2.418 7.607 1.00 0.00 H new ATOM 0 HG1 THR A 47 -19.663 -0.358 6.944 1.00 0.00 H new ATOM 0 HG21 THR A 47 -17.399 -0.794 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.991 -2.475 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 47 -18.045 -1.523 4.769 1.00 0.00 H new ATOM 779 N VAL A 48 -18.753 -5.380 7.350 1.00 0.00 N ATOM 780 CA VAL A 48 -17.889 -6.510 7.737 1.00 0.00 C ATOM 781 C VAL A 48 -18.527 -7.853 7.284 1.00 0.00 C ATOM 782 O VAL A 48 -19.745 -7.914 7.089 1.00 0.00 O ATOM 783 CB VAL A 48 -17.635 -6.481 9.294 1.00 0.00 C ATOM 784 CG1 VAL A 48 -18.868 -6.940 10.110 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.388 -7.285 9.678 1.00 0.00 C ATOM 0 H VAL A 48 -19.471 -5.161 8.040 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.925 -6.419 7.237 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.456 -5.438 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.636 -6.900 11.174 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.710 -6.282 9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.127 -7.962 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.245 -7.242 10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.515 -8.323 9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.515 -6.863 9.180 1.00 0.00 H new ATOM 795 N THR A 49 -17.708 -8.910 7.081 1.00 0.00 N ATOM 796 CA THR A 49 -18.210 -10.242 6.654 1.00 0.00 C ATOM 797 C THR A 49 -18.104 -11.276 7.794 1.00 0.00 C ATOM 798 O THR A 49 -18.883 -12.230 7.840 1.00 0.00 O ATOM 799 CB THR A 49 -17.475 -10.763 5.367 1.00 0.00 C ATOM 800 OG1 THR A 49 -18.007 -12.037 4.957 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.960 -10.890 5.571 1.00 0.00 C ATOM 0 H THR A 49 -16.696 -8.869 7.205 1.00 0.00 H new ATOM 0 HA THR A 49 -19.263 -10.115 6.405 1.00 0.00 H new ATOM 0 HB THR A 49 -17.651 -10.021 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.538 -12.344 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.498 -11.254 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.544 -9.915 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.759 -11.592 6.381 1.00 0.00 H new ATOM 809 N HIS A 50 -17.136 -11.082 8.712 1.00 0.00 N ATOM 810 CA HIS A 50 -16.942 -11.963 9.883 1.00 0.00 C ATOM 811 C HIS A 50 -17.122 -11.164 11.172 1.00 0.00 C ATOM 812 O HIS A 50 -16.722 -10.012 11.242 1.00 0.00 O ATOM 813 CB HIS A 50 -15.537 -12.623 9.870 1.00 0.00 C ATOM 814 CG HIS A 50 -15.349 -13.652 8.786 1.00 0.00 C ATOM 815 ND1 HIS A 50 -14.673 -13.609 7.610 1.00 0.00 N flip ATOM 816 CD2 HIS A 50 -15.916 -14.902 8.847 1.00 0.00 C flip ATOM 817 CE1 HIS A 50 -14.848 -14.821 6.993 1.00 0.00 C flip ATOM 818 NE2 HIS A 50 -15.603 -15.580 7.761 1.00 0.00 N flip ATOM 0 H HIS A 50 -16.468 -10.313 8.664 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.690 -12.754 9.833 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.783 -11.845 9.751 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.360 -13.094 10.837 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -16.524 -15.272 9.659 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.435 -15.106 6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.896 -16.534 7.550 1.00 0.00 H new ATOM 827 N ILE A 51 -17.767 -11.777 12.169 1.00 0.00 N ATOM 828 CA ILE A 51 -17.888 -11.226 13.533 1.00 0.00 C ATOM 829 C ILE A 51 -17.359 -12.272 14.526 1.00 0.00 C ATOM 830 O ILE A 51 -17.572 -13.458 14.342 1.00 0.00 O ATOM 831 CB ILE A 51 -19.366 -10.814 13.871 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.836 -9.632 12.956 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.547 -10.470 15.377 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.208 -9.067 13.295 1.00 0.00 C ATOM 0 H ILE A 51 -18.227 -12.680 12.056 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.296 -10.314 13.605 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.000 -11.677 13.666 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.102 -8.828 13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.845 -9.974 11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -20.584 -10.191 15.564 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.290 -11.339 15.982 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -18.894 -9.638 15.641 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.447 -8.254 12.609 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -21.958 -9.852 13.202 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.203 -8.689 14.317 1.00 0.00 H new ATOM 846 N VAL A 52 -16.635 -11.817 15.548 1.00 0.00 N ATOM 847 CA VAL A 52 -16.016 -12.683 16.559 1.00 0.00 C ATOM 848 C VAL A 52 -16.818 -12.611 17.859 1.00 0.00 C ATOM 849 O VAL A 52 -17.209 -11.525 18.292 1.00 0.00 O ATOM 850 CB VAL A 52 -14.533 -12.244 16.818 1.00 0.00 C ATOM 851 CG1 VAL A 52 -13.853 -13.066 17.928 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.719 -12.317 15.522 1.00 0.00 C ATOM 0 H VAL A 52 -16.458 -10.824 15.702 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.016 -13.710 16.193 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.566 -11.211 17.166 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.829 -12.718 18.063 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.404 -12.944 18.861 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.844 -14.119 17.647 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.692 -12.009 15.719 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.725 -13.340 15.146 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.160 -11.654 14.778 1.00 0.00 H new ATOM 862 N ALA A 53 -17.051 -13.775 18.466 1.00 0.00 N ATOM 863 CA ALA A 53 -17.705 -13.887 19.773 1.00 0.00 C ATOM 864 C ALA A 53 -17.257 -15.184 20.456 1.00 0.00 C ATOM 865 O ALA A 53 -16.928 -16.164 19.787 1.00 0.00 O ATOM 866 CB ALA A 53 -19.232 -13.846 19.630 1.00 0.00 C ATOM 0 H ALA A 53 -16.790 -14.675 18.062 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.411 -13.037 20.390 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -19.692 -13.931 20.614 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.529 -12.903 19.171 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.561 -14.675 19.003 1.00 0.00 H new ATOM 872 N SER A 54 -17.229 -15.165 21.795 1.00 0.00 N ATOM 873 CA SER A 54 -16.958 -16.366 22.602 1.00 0.00 C ATOM 874 C SER A 54 -18.222 -17.238 22.601 1.00 0.00 C ATOM 875 O SER A 54 -18.174 -18.455 22.415 1.00 0.00 O ATOM 876 CB SER A 54 -16.568 -15.951 24.045 1.00 0.00 C ATOM 877 OG SER A 54 -16.234 -17.073 24.860 1.00 0.00 O ATOM 0 H SER A 54 -17.392 -14.324 22.348 1.00 0.00 H new ATOM 0 HA SER A 54 -16.127 -16.933 22.183 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.720 -15.267 24.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.396 -15.408 24.501 1.00 0.00 H new ATOM 0 HG SER A 54 -15.994 -16.765 25.759 1.00 0.00 H new ATOM 883 N ASN A 55 -19.355 -16.555 22.758 1.00 0.00 N ATOM 884 CA ASN A 55 -20.683 -17.160 22.820 1.00 0.00 C ATOM 885 C ASN A 55 -21.649 -16.267 22.031 1.00 0.00 C ATOM 886 O ASN A 55 -21.630 -15.039 22.198 1.00 0.00 O ATOM 887 CB ASN A 55 -21.118 -17.273 24.303 1.00 0.00 C ATOM 888 CG ASN A 55 -22.458 -17.977 24.513 1.00 0.00 C ATOM 889 OD1 ASN A 55 -22.798 -18.902 23.780 1.00 0.00 O ATOM 890 ND2 ASN A 55 -23.229 -17.538 25.505 1.00 0.00 N ATOM 0 H ASN A 55 -19.374 -15.539 22.848 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.682 -18.160 22.387 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -20.348 -17.811 24.856 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.176 -16.272 24.730 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -24.136 -17.972 25.677 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.913 -16.767 26.094 1.00 0.00 H new ATOM 897 N LEU A 56 -22.482 -16.872 21.170 1.00 0.00 N ATOM 898 CA LEU A 56 -23.412 -16.128 20.300 1.00 0.00 C ATOM 899 C LEU A 56 -24.866 -16.496 20.697 1.00 0.00 C ATOM 900 O LEU A 56 -25.286 -17.634 20.472 1.00 0.00 O ATOM 901 CB LEU A 56 -23.121 -16.439 18.789 1.00 0.00 C ATOM 902 CG LEU A 56 -23.362 -15.279 17.760 1.00 0.00 C ATOM 903 CD1 LEU A 56 -24.807 -14.770 17.755 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.373 -14.116 17.973 1.00 0.00 C ATOM 0 H LEU A 56 -22.532 -17.884 21.056 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.274 -15.055 20.433 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.082 -16.756 18.703 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.739 -17.287 18.493 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.178 -15.711 16.776 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.908 -13.969 17.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.480 -15.587 17.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.063 -14.391 18.745 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -22.571 -13.332 17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.495 -13.714 18.979 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.353 -14.479 17.849 1.00 0.00 H new ATOM 916 N PRO A 57 -25.644 -15.543 21.311 1.00 0.00 N ATOM 917 CA PRO A 57 -27.063 -15.785 21.708 1.00 0.00 C ATOM 918 C PRO A 57 -28.012 -15.952 20.487 1.00 0.00 C ATOM 919 O PRO A 57 -27.727 -15.440 19.400 1.00 0.00 O ATOM 920 CB PRO A 57 -27.408 -14.525 22.552 1.00 0.00 C ATOM 921 CG PRO A 57 -26.485 -13.457 22.052 1.00 0.00 C ATOM 922 CD PRO A 57 -25.198 -14.166 21.688 1.00 0.00 C ATOM 0 HA PRO A 57 -27.191 -16.718 22.256 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.451 -14.237 22.422 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -27.258 -14.710 23.616 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -26.909 -12.946 21.187 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -26.312 -12.699 22.816 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -24.688 -13.670 20.862 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -24.502 -14.186 22.526 1.00 0.00 H new ATOM 930 N LEU A 58 -29.154 -16.641 20.715 1.00 0.00 N ATOM 931 CA LEU A 58 -30.083 -17.106 19.646 1.00 0.00 C ATOM 932 C LEU A 58 -30.621 -15.954 18.772 1.00 0.00 C ATOM 933 O LEU A 58 -30.607 -16.031 17.532 1.00 0.00 O ATOM 934 CB LEU A 58 -31.270 -17.877 20.290 1.00 0.00 C ATOM 935 CG LEU A 58 -30.899 -19.198 21.042 1.00 0.00 C ATOM 936 CD1 LEU A 58 -32.127 -19.813 21.753 1.00 0.00 C ATOM 937 CD2 LEU A 58 -30.239 -20.217 20.079 1.00 0.00 C ATOM 0 H LEU A 58 -29.464 -16.895 21.653 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.513 -17.762 18.988 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.773 -17.211 20.992 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.990 -18.117 19.507 1.00 0.00 H new ATOM 0 HG LEU A 58 -30.172 -18.945 21.814 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -31.831 -20.729 22.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.520 -19.102 22.480 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -32.897 -20.042 21.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -29.991 -21.126 20.626 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -30.932 -20.457 19.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -29.330 -19.786 19.660 1.00 0.00 H new ATOM 949 N LYS A 59 -31.089 -14.887 19.440 1.00 0.00 N ATOM 950 CA LYS A 59 -31.687 -13.707 18.772 1.00 0.00 C ATOM 951 C LYS A 59 -30.645 -12.983 17.898 1.00 0.00 C ATOM 952 O LYS A 59 -30.988 -12.404 16.869 1.00 0.00 O ATOM 953 CB LYS A 59 -32.309 -12.729 19.818 1.00 0.00 C ATOM 954 CG LYS A 59 -33.714 -13.117 20.356 1.00 0.00 C ATOM 955 CD LYS A 59 -33.776 -14.518 21.002 1.00 0.00 C ATOM 956 CE LYS A 59 -35.139 -14.815 21.640 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.429 -13.909 22.781 1.00 0.00 N ATOM 0 H LYS A 59 -31.066 -14.813 20.457 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.488 -14.060 18.122 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.626 -12.650 20.664 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -32.374 -11.739 19.367 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -34.028 -12.376 21.091 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -34.430 -13.075 19.535 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -33.561 -15.273 20.245 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -32.998 -14.598 21.762 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -35.921 -14.713 20.888 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -35.161 -15.849 21.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -36.252 -14.266 23.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -34.604 -13.871 23.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.635 -12.955 22.423 1.00 0.00 H new ATOM 971 N LYS A 60 -29.369 -13.037 18.316 1.00 0.00 N ATOM 972 CA LYS A 60 -28.255 -12.433 17.563 1.00 0.00 C ATOM 973 C LYS A 60 -27.742 -13.358 16.451 1.00 0.00 C ATOM 974 O LYS A 60 -27.062 -12.888 15.556 1.00 0.00 O ATOM 975 CB LYS A 60 -27.104 -12.004 18.509 1.00 0.00 C ATOM 976 CG LYS A 60 -27.463 -10.830 19.436 1.00 0.00 C ATOM 977 CD LYS A 60 -27.881 -9.565 18.650 1.00 0.00 C ATOM 978 CE LYS A 60 -28.208 -8.387 19.567 1.00 0.00 C ATOM 979 NZ LYS A 60 -27.056 -8.024 20.433 1.00 0.00 N ATOM 0 H LYS A 60 -29.081 -13.497 19.180 1.00 0.00 H new ATOM 0 HA LYS A 60 -28.646 -11.537 17.080 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -26.810 -12.859 19.119 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -26.237 -11.728 17.908 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -28.276 -11.129 20.098 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -26.607 -10.595 20.069 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.077 -9.281 17.972 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.751 -9.795 18.035 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -28.495 -7.526 18.964 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -29.066 -8.639 20.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -27.239 -7.107 20.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -26.927 -8.754 21.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -26.194 -7.957 19.854 1.00 0.00 H new ATOM 993 N ARG A 61 -28.042 -14.671 16.523 1.00 0.00 N ATOM 994 CA ARG A 61 -27.801 -15.595 15.379 1.00 0.00 C ATOM 995 C ARG A 61 -28.722 -15.209 14.214 1.00 0.00 C ATOM 996 O ARG A 61 -28.371 -15.366 13.042 1.00 0.00 O ATOM 997 CB ARG A 61 -28.034 -17.079 15.775 1.00 0.00 C ATOM 998 CG ARG A 61 -27.101 -17.582 16.890 1.00 0.00 C ATOM 999 CD ARG A 61 -27.357 -19.043 17.282 1.00 0.00 C ATOM 1000 NE ARG A 61 -26.563 -19.426 18.457 1.00 0.00 N ATOM 1001 CZ ARG A 61 -26.376 -20.672 18.893 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.830 -21.718 18.207 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -25.710 -20.866 20.007 1.00 0.00 N ATOM 0 H ARG A 61 -28.446 -15.118 17.346 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.758 -15.499 15.078 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -29.068 -17.200 16.098 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -27.900 -17.705 14.893 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -26.066 -17.477 16.564 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -27.224 -16.950 17.770 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -28.417 -19.185 17.494 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -27.110 -19.695 16.445 1.00 0.00 H new ATOM 0 HE ARG A 61 -26.117 -18.675 18.984 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -27.331 -21.574 17.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.677 -22.663 18.558 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -25.343 -20.069 20.527 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -25.559 -21.814 20.353 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.914 -14.706 14.579 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.888 -14.155 13.626 1.00 0.00 C ATOM 1019 C ILE A 62 -30.385 -12.802 13.056 1.00 0.00 C ATOM 1020 O ILE A 62 -30.371 -12.600 11.836 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.290 -13.970 14.316 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.774 -15.323 14.946 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.339 -13.393 13.332 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -34.017 -15.218 15.824 1.00 0.00 C ATOM 0 H ILE A 62 -30.229 -14.671 15.549 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.998 -14.859 12.801 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.177 -13.243 15.120 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.975 -16.030 14.141 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.962 -15.740 15.541 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.294 -13.279 13.844 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -33.003 -12.421 12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -33.458 -14.072 12.488 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -34.272 -16.204 16.213 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.819 -14.541 16.655 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.849 -14.834 15.233 1.00 0.00 H new ATOM 1036 N GLU A 63 -29.961 -11.889 13.959 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.486 -10.533 13.570 1.00 0.00 C ATOM 1038 C GLU A 63 -28.177 -10.597 12.759 1.00 0.00 C ATOM 1039 O GLU A 63 -27.935 -9.761 11.881 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.292 -9.623 14.814 1.00 0.00 C ATOM 1041 CG GLU A 63 -30.557 -9.435 15.679 1.00 0.00 C ATOM 1042 CD GLU A 63 -31.787 -8.973 14.875 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -31.801 -7.811 14.407 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -32.736 -9.766 14.691 1.00 0.00 O ATOM 0 H GLU A 63 -29.936 -12.063 14.964 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.260 -10.100 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -28.502 -10.044 15.436 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -28.947 -8.644 14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -30.791 -10.376 16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -30.348 -8.704 16.460 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.346 -11.603 13.060 1.00 0.00 N ATOM 1052 CA PHE A 64 -26.038 -11.801 12.411 1.00 0.00 C ATOM 1053 C PHE A 64 -26.085 -12.987 11.434 1.00 0.00 C ATOM 1054 O PHE A 64 -25.050 -13.595 11.150 1.00 0.00 O ATOM 1055 CB PHE A 64 -24.922 -12.016 13.475 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.711 -10.873 14.474 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -24.943 -9.544 14.121 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.254 -11.136 15.769 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -24.728 -8.521 15.024 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.042 -10.111 16.670 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.283 -8.805 16.298 1.00 0.00 C ATOM 0 H PHE A 64 -27.561 -12.308 13.765 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.804 -10.900 11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.152 -12.922 14.035 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -23.981 -12.194 12.954 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.296 -9.311 13.127 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.064 -12.156 16.069 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -24.909 -7.497 14.732 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -23.687 -10.332 17.666 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.123 -8.004 17.005 1.00 0.00 H new ATOM 1071 N ALA A 65 -27.288 -13.291 10.910 1.00 0.00 N ATOM 1072 CA ALA A 65 -27.465 -14.314 9.854 1.00 0.00 C ATOM 1073 C ALA A 65 -26.738 -13.889 8.559 1.00 0.00 C ATOM 1074 O ALA A 65 -26.218 -14.728 7.815 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.955 -14.549 9.584 1.00 0.00 C ATOM 0 H ALA A 65 -28.157 -12.842 11.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -27.025 -15.249 10.201 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -29.069 -15.303 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -29.440 -14.894 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -29.417 -13.617 9.257 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.705 -12.564 8.330 1.00 0.00 N ATOM 1082 CA ASN A 66 -26.021 -11.939 7.179 1.00 0.00 C ATOM 1083 C ASN A 66 -24.490 -12.051 7.309 1.00 0.00 C ATOM 1084 O ASN A 66 -23.775 -12.056 6.302 1.00 0.00 O ATOM 1085 CB ASN A 66 -26.435 -10.452 7.079 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.944 -10.265 6.897 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -28.696 -10.253 7.874 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -28.390 -10.092 5.661 1.00 0.00 N ATOM 0 H ASN A 66 -27.157 -11.888 8.945 1.00 0.00 H new ATOM 0 HA ASN A 66 -26.319 -12.467 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.115 -9.930 7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.913 -9.990 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.385 -9.943 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.738 -10.108 4.877 1.00 0.00 H new ATOM 1095 N TYR A 67 -24.001 -12.146 8.558 1.00 0.00 N ATOM 1096 CA TYR A 67 -22.563 -12.260 8.858 1.00 0.00 C ATOM 1097 C TYR A 67 -22.180 -13.726 9.120 1.00 0.00 C ATOM 1098 O TYR A 67 -23.040 -14.576 9.378 1.00 0.00 O ATOM 1099 CB TYR A 67 -22.210 -11.414 10.107 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.613 -9.931 10.018 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -21.872 -9.017 9.268 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.713 -9.440 10.720 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.218 -7.677 9.227 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.062 -8.104 10.676 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.310 -7.227 9.933 1.00 0.00 C ATOM 1106 OH TYR A 67 -23.643 -5.892 9.895 1.00 0.00 O ATOM 0 H TYR A 67 -24.593 -12.146 9.389 1.00 0.00 H new ATOM 0 HA TYR A 67 -22.006 -11.892 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.696 -11.856 10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -21.135 -11.474 10.277 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.014 -9.361 8.710 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.307 -10.120 11.312 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.631 -6.985 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -24.923 -7.750 11.224 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.439 -5.738 10.445 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.873 -14.009 9.043 1.00 0.00 N ATOM 1117 CA LYS A 68 -20.290 -15.293 9.459 1.00 0.00 C ATOM 1118 C LYS A 68 -19.646 -15.099 10.839 1.00 0.00 C ATOM 1119 O LYS A 68 -18.470 -14.715 10.942 1.00 0.00 O ATOM 1120 CB LYS A 68 -19.246 -15.825 8.417 1.00 0.00 C ATOM 1121 CG LYS A 68 -19.829 -16.324 7.071 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.399 -15.196 6.175 1.00 0.00 C ATOM 1123 CE LYS A 68 -21.005 -15.734 4.866 1.00 0.00 C ATOM 1124 NZ LYS A 68 -22.151 -16.650 5.112 1.00 0.00 N ATOM 0 H LYS A 68 -20.183 -13.347 8.687 1.00 0.00 H new ATOM 0 HA LYS A 68 -21.076 -16.046 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.531 -15.029 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.688 -16.642 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.049 -16.851 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -20.619 -17.047 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.163 -14.648 6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.605 -14.487 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.336 -14.898 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.236 -16.261 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.622 -16.867 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.805 -17.531 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.828 -16.193 5.755 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.451 -15.290 11.900 1.00 0.00 N ATOM 1139 CA VAL A 69 -19.957 -15.210 13.282 1.00 0.00 C ATOM 1140 C VAL A 69 -19.166 -16.483 13.625 1.00 0.00 C ATOM 1141 O VAL A 69 -19.585 -17.592 13.274 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.108 -14.957 14.326 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.782 -13.593 14.088 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.161 -16.074 14.311 1.00 0.00 C ATOM 0 H VAL A 69 -21.446 -15.501 11.824 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.295 -14.346 13.347 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.641 -14.954 15.311 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.573 -13.445 14.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -21.042 -12.799 14.186 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -22.209 -13.568 13.086 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -22.934 -15.855 15.048 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -22.611 -16.137 13.320 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -21.687 -17.025 14.555 1.00 0.00 H new ATOM 1154 N VAL A 70 -17.999 -16.303 14.253 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.056 -17.377 14.595 1.00 0.00 C ATOM 1156 C VAL A 70 -16.507 -17.158 16.013 1.00 0.00 C ATOM 1157 O VAL A 70 -16.805 -16.150 16.664 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.843 -17.455 13.567 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.330 -17.759 12.128 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.981 -16.161 13.599 1.00 0.00 C ATOM 0 H VAL A 70 -17.674 -15.382 14.546 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.602 -18.319 14.544 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.211 -18.284 13.885 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.473 -17.804 11.456 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.852 -18.716 12.115 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -17.008 -16.971 11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.163 -16.251 12.884 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.601 -15.304 13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.574 -16.019 14.600 1.00 0.00 H new ATOM 1170 N SER A 71 -15.708 -18.125 16.476 1.00 0.00 N ATOM 1171 CA SER A 71 -14.959 -18.031 17.733 1.00 0.00 C ATOM 1172 C SER A 71 -13.648 -17.225 17.515 1.00 0.00 C ATOM 1173 O SER A 71 -13.130 -17.198 16.387 1.00 0.00 O ATOM 1174 CB SER A 71 -14.647 -19.457 18.240 1.00 0.00 C ATOM 1175 OG SER A 71 -15.836 -20.213 18.450 1.00 0.00 O ATOM 0 H SER A 71 -15.562 -19.005 15.982 1.00 0.00 H new ATOM 0 HA SER A 71 -15.556 -17.508 18.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.013 -19.970 17.517 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.084 -19.397 19.172 1.00 0.00 H new ATOM 0 HG SER A 71 -16.288 -20.356 17.592 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.072 -16.567 18.586 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.744 -15.886 18.491 1.00 0.00 C ATOM 1183 C PRO A 72 -10.619 -16.889 18.195 1.00 0.00 C ATOM 1184 O PRO A 72 -9.593 -16.540 17.604 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.568 -15.242 19.892 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.448 -16.053 20.792 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.646 -16.435 19.957 1.00 0.00 C ATOM 0 HA PRO A 72 -11.700 -15.159 17.680 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.528 -15.277 20.217 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.865 -14.193 19.887 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.926 -16.938 21.156 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.749 -15.478 21.668 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.095 -17.368 20.298 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.425 -15.674 19.997 1.00 0.00 H new ATOM 1195 N ASP A 73 -10.886 -18.150 18.572 1.00 0.00 N ATOM 1196 CA ASP A 73 -9.990 -19.295 18.372 1.00 0.00 C ATOM 1197 C ASP A 73 -9.714 -19.534 16.875 1.00 0.00 C ATOM 1198 O ASP A 73 -8.724 -20.167 16.546 1.00 0.00 O ATOM 1199 CB ASP A 73 -10.617 -20.566 19.006 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.065 -20.360 20.462 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.227 -19.936 20.679 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.260 -20.587 21.391 1.00 0.00 O ATOM 0 H ASP A 73 -11.757 -18.406 19.037 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.039 -19.075 18.858 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.475 -20.876 18.409 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.892 -21.379 18.968 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.608 -19.029 15.978 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.369 -19.060 14.518 1.00 0.00 C ATOM 1209 C TRP A 74 -9.159 -18.188 14.159 1.00 0.00 C ATOM 1210 O TRP A 74 -8.232 -18.650 13.495 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.614 -18.596 13.700 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.366 -18.572 12.195 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -10.926 -19.618 11.424 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.517 -17.460 11.298 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.788 -19.215 10.126 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.152 -17.907 10.016 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.933 -16.131 11.450 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.180 -17.075 8.900 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.969 -15.305 10.341 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.596 -15.783 9.076 1.00 0.00 C ATOM 0 H TRP A 74 -11.494 -18.599 16.245 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.169 -20.098 14.251 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.450 -19.261 13.914 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.907 -17.599 14.030 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.719 -20.613 11.789 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.463 -19.802 9.358 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -12.222 -15.756 12.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.883 -17.437 7.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -12.288 -14.279 10.450 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.638 -15.119 8.225 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.184 -16.936 14.643 1.00 0.00 N ATOM 1232 CA ILE A 75 -8.171 -15.917 14.305 1.00 0.00 C ATOM 1233 C ILE A 75 -6.817 -16.355 14.896 1.00 0.00 C ATOM 1234 O ILE A 75 -5.791 -16.331 14.212 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.557 -14.465 14.824 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.910 -13.945 14.204 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.415 -13.449 14.545 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -11.171 -14.611 14.727 1.00 0.00 C ATOM 0 H ILE A 75 -9.906 -16.599 15.280 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.113 -15.846 13.219 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.700 -14.549 15.901 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.984 -12.873 14.387 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.870 -14.082 13.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.707 -12.464 14.910 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.508 -13.772 15.056 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.228 -13.397 13.472 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.042 -14.179 14.234 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.131 -15.680 14.520 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.247 -14.453 15.803 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.878 -16.824 16.154 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.721 -17.343 16.899 1.00 0.00 C ATOM 1252 C VAL A 76 -5.073 -18.529 16.166 1.00 0.00 C ATOM 1253 O VAL A 76 -3.871 -18.520 15.919 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.152 -17.793 18.349 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -4.984 -18.456 19.127 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.729 -16.602 19.139 1.00 0.00 C ATOM 0 H VAL A 76 -7.746 -16.853 16.689 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.990 -16.538 16.973 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.931 -18.547 18.235 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.328 -18.749 20.119 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.641 -19.338 18.586 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.162 -17.747 19.223 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.020 -16.933 20.136 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.974 -15.821 19.223 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.602 -16.209 18.618 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.901 -19.530 15.808 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.425 -20.815 15.254 1.00 0.00 C ATOM 1268 C ASP A 77 -4.926 -20.663 13.807 1.00 0.00 C ATOM 1269 O ASP A 77 -3.998 -21.356 13.396 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.520 -21.906 15.357 1.00 0.00 C ATOM 1271 CG ASP A 77 -5.972 -23.342 15.258 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.090 -23.700 16.061 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.442 -24.128 14.410 1.00 0.00 O ATOM 0 H ASP A 77 -6.916 -19.472 15.894 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.575 -21.134 15.857 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.047 -21.792 16.304 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.252 -21.750 14.565 1.00 0.00 H new ATOM 1278 N SER A 78 -5.551 -19.752 13.044 1.00 0.00 N ATOM 1279 CA SER A 78 -5.128 -19.447 11.662 1.00 0.00 C ATOM 1280 C SER A 78 -3.738 -18.771 11.664 1.00 0.00 C ATOM 1281 O SER A 78 -2.886 -19.081 10.829 1.00 0.00 O ATOM 1282 CB SER A 78 -6.176 -18.560 10.952 1.00 0.00 C ATOM 1283 OG SER A 78 -7.405 -19.253 10.750 1.00 0.00 O ATOM 0 H SER A 78 -6.355 -19.210 13.360 1.00 0.00 H new ATOM 0 HA SER A 78 -5.052 -20.382 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.357 -17.664 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.782 -18.230 9.991 1.00 0.00 H new ATOM 0 HG SER A 78 -7.946 -19.205 11.566 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.524 -17.860 12.634 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.216 -17.213 12.870 1.00 0.00 C ATOM 1291 C VAL A 79 -1.201 -18.224 13.461 1.00 0.00 C ATOM 1292 O VAL A 79 -0.006 -18.179 13.150 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.397 -15.954 13.809 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -1.047 -15.363 14.286 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.238 -14.865 13.095 1.00 0.00 C ATOM 0 H VAL A 79 -4.253 -17.551 13.277 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.814 -16.870 11.917 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.925 -16.297 14.699 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.233 -14.501 14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.496 -16.119 14.845 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.460 -15.052 13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.354 -14.005 13.754 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.732 -14.556 12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.220 -15.268 12.848 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.712 -19.160 14.283 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.907 -20.211 14.950 1.00 0.00 C ATOM 1307 C LYS A 80 -0.294 -21.157 13.913 1.00 0.00 C ATOM 1308 O LYS A 80 0.871 -21.553 14.023 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.805 -21.014 15.933 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.105 -22.149 16.717 1.00 0.00 C ATOM 1311 CD LYS A 80 -2.069 -22.929 17.651 1.00 0.00 C ATOM 1312 CE LYS A 80 -2.813 -22.020 18.650 1.00 0.00 C ATOM 1313 NZ LYS A 80 -1.882 -21.216 19.484 1.00 0.00 N ATOM 0 H LYS A 80 -2.706 -19.212 14.508 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.099 -19.734 15.505 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.238 -20.317 16.651 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.632 -21.445 15.369 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.652 -22.844 16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.296 -21.726 17.312 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.799 -23.465 17.044 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.502 -23.678 18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.477 -21.351 18.103 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.440 -22.633 19.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.426 -20.660 20.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.231 -21.851 19.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.336 -20.574 18.874 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.099 -21.503 12.902 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.698 -22.427 11.831 1.00 0.00 C ATOM 1329 C GLU A 81 -0.174 -21.675 10.590 1.00 0.00 C ATOM 1330 O GLU A 81 0.302 -22.314 9.645 1.00 0.00 O ATOM 1331 CB GLU A 81 -1.891 -23.343 11.456 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.457 -24.171 12.627 1.00 0.00 C ATOM 1333 CD GLU A 81 -1.403 -25.054 13.320 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -0.820 -25.943 12.652 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.151 -24.875 14.531 1.00 0.00 O ATOM 0 H GLU A 81 -2.051 -21.150 12.802 1.00 0.00 H new ATOM 0 HA GLU A 81 0.123 -23.040 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.690 -22.726 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.575 -24.024 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.893 -23.495 13.362 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.264 -24.804 12.258 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.286 -20.322 10.611 1.00 0.00 N ATOM 1343 CA ALA A 82 0.205 -19.417 9.536 1.00 0.00 C ATOM 1344 C ALA A 82 -0.523 -19.655 8.187 1.00 0.00 C ATOM 1345 O ALA A 82 0.010 -19.327 7.116 1.00 0.00 O ATOM 1346 CB ALA A 82 1.741 -19.530 9.384 1.00 0.00 C ATOM 0 H ALA A 82 -0.725 -19.821 11.384 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.032 -18.396 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.079 -18.860 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.221 -19.254 10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.007 -20.556 9.129 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.775 -20.148 8.257 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.574 -20.538 7.072 1.00 0.00 C ATOM 1354 C ARG A 83 -4.054 -20.168 7.273 1.00 0.00 C ATOM 1355 O ARG A 83 -4.494 -19.983 8.408 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.428 -22.069 6.843 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.056 -22.944 7.954 1.00 0.00 C ATOM 1358 CD ARG A 83 -2.575 -24.403 7.923 1.00 0.00 C ATOM 1359 NE ARG A 83 -1.137 -24.512 8.259 1.00 0.00 N ATOM 1360 CZ ARG A 83 -0.425 -25.646 8.287 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -0.974 -26.806 7.954 1.00 0.00 N ATOM 1362 NH2 ARG A 83 0.846 -25.605 8.651 1.00 0.00 N ATOM 0 H ARG A 83 -2.265 -20.289 9.140 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.207 -20.001 6.197 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.889 -22.327 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.369 -22.312 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.819 -22.511 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.141 -22.924 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.159 -24.994 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.750 -24.823 6.933 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.646 -23.648 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.953 -26.844 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.417 -27.660 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.275 -24.716 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.397 -26.463 8.676 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.813 -20.058 6.164 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.275 -19.890 6.224 1.00 0.00 C ATOM 1378 C LEU A 84 -6.896 -21.244 6.590 1.00 0.00 C ATOM 1379 O LEU A 84 -6.600 -22.266 5.963 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.833 -19.321 4.874 1.00 0.00 C ATOM 1381 CG LEU A 84 -8.370 -18.947 4.794 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -9.286 -20.169 4.533 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.831 -18.172 6.053 1.00 0.00 C ATOM 0 H LEU A 84 -4.435 -20.083 5.217 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.542 -19.160 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.260 -18.427 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.629 -20.055 4.094 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.472 -18.293 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.325 -19.842 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.012 -20.633 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.166 -20.892 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.890 -17.931 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.671 -18.788 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.256 -17.250 6.144 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.737 -21.237 7.629 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.462 -22.421 8.114 1.00 0.00 C ATOM 1397 C LEU A 85 -9.975 -22.224 7.908 1.00 0.00 C ATOM 1398 O LEU A 85 -10.442 -21.076 7.859 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.109 -22.663 9.607 1.00 0.00 C ATOM 1400 CG LEU A 85 -6.628 -23.101 9.863 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -6.290 -23.101 11.360 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.340 -24.489 9.231 1.00 0.00 C ATOM 0 H LEU A 85 -7.938 -20.395 8.168 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.164 -23.304 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.306 -21.748 10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.775 -23.429 10.005 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.983 -22.367 9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.254 -23.410 11.499 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.427 -22.098 11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.949 -23.795 11.882 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.304 -24.769 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.005 -25.233 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.508 -24.441 8.155 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.761 -23.339 7.733 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.232 -23.262 7.592 1.00 0.00 C ATOM 1416 C PRO A 86 -12.903 -22.662 8.855 1.00 0.00 C ATOM 1417 O PRO A 86 -12.916 -23.274 9.929 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.656 -24.739 7.327 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.537 -25.564 7.878 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.286 -24.752 7.631 1.00 0.00 C ATOM 0 HA PRO A 86 -12.547 -22.596 6.788 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.600 -24.974 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.797 -24.925 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.677 -25.757 8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.481 -26.533 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.514 -24.970 8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.858 -24.962 6.651 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.415 -21.425 8.698 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.130 -20.677 9.754 1.00 0.00 C ATOM 1430 C TRP A 87 -15.416 -21.393 10.205 1.00 0.00 C ATOM 1431 O TRP A 87 -15.905 -21.158 11.314 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.439 -19.232 9.271 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.101 -19.134 7.911 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.432 -19.248 7.614 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.435 -18.886 6.670 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.625 -19.085 6.267 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.414 -18.863 5.666 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.099 -18.679 6.320 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -15.100 -18.637 4.332 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -12.783 -18.460 4.998 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -13.781 -18.439 4.015 1.00 0.00 C ATOM 0 H TRP A 87 -13.343 -20.909 7.821 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.475 -20.628 10.624 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.083 -18.750 10.006 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.507 -18.668 9.245 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.214 -19.438 8.334 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.525 -19.123 5.789 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.326 -18.691 7.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -15.867 -18.618 3.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.753 -18.302 4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.505 -18.263 2.986 1.00 0.00 H new ATOM 1452 N GLN A 88 -15.935 -22.271 9.326 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.134 -23.091 9.585 1.00 0.00 C ATOM 1454 C GLN A 88 -16.946 -24.016 10.823 1.00 0.00 C ATOM 1455 O GLN A 88 -17.930 -24.417 11.459 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.475 -23.927 8.318 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.415 -24.975 7.929 1.00 0.00 C ATOM 1458 CD GLN A 88 -16.762 -25.749 6.659 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -17.461 -26.758 6.716 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.277 -25.286 5.515 1.00 0.00 N ATOM 0 H GLN A 88 -15.528 -22.433 8.405 1.00 0.00 H new ATOM 0 HA GLN A 88 -17.964 -22.422 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.425 -24.436 8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.617 -23.246 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.456 -24.476 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.292 -25.679 8.752 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.700 -24.445 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.481 -25.771 4.641 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.675 -24.348 11.140 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.307 -25.176 12.315 1.00 0.00 C ATOM 1471 C ASN A 89 -15.519 -24.400 13.630 1.00 0.00 C ATOM 1472 O ASN A 89 -15.832 -24.987 14.675 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.822 -25.637 12.215 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.525 -26.559 11.026 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -14.187 -26.506 9.988 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.504 -27.395 11.164 1.00 0.00 N ATOM 0 H ASN A 89 -14.871 -24.049 10.588 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.956 -26.052 12.318 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.184 -24.756 12.144 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.551 -26.153 13.136 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.248 -28.018 10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.975 -27.415 12.036 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.333 -23.074 13.562 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.438 -22.165 14.725 1.00 0.00 C ATOM 1485 C TYR A 90 -16.744 -21.351 14.683 1.00 0.00 C ATOM 1486 O TYR A 90 -17.012 -20.558 15.593 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.210 -21.219 14.743 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.873 -21.966 14.881 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.350 -22.275 16.139 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.145 -22.380 13.758 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.160 -22.966 16.274 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.951 -23.066 13.894 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.463 -23.357 15.152 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.284 -24.057 15.293 1.00 0.00 O ATOM 0 H TYR A 90 -15.103 -22.593 12.693 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.455 -22.762 15.637 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.198 -20.632 13.825 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.313 -20.516 15.569 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.886 -21.968 17.025 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.522 -22.160 12.770 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.778 -23.199 17.257 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.401 -23.373 13.017 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.592 -23.648 14.733 1.00 0.00 H new ATOM 1504 N SER A 91 -17.551 -21.569 13.628 1.00 0.00 N ATOM 1505 CA SER A 91 -18.767 -20.780 13.362 1.00 0.00 C ATOM 1506 C SER A 91 -19.843 -20.999 14.439 1.00 0.00 C ATOM 1507 O SER A 91 -20.153 -22.140 14.801 1.00 0.00 O ATOM 1508 CB SER A 91 -19.331 -21.123 11.970 1.00 0.00 C ATOM 1509 OG SER A 91 -20.484 -20.354 11.675 1.00 0.00 O ATOM 0 H SER A 91 -17.378 -22.298 12.936 1.00 0.00 H new ATOM 0 HA SER A 91 -18.486 -19.727 13.389 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.568 -20.943 11.212 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.579 -22.184 11.927 1.00 0.00 H new ATOM 0 HG SER A 91 -20.467 -19.525 12.197 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.391 -19.883 14.942 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.447 -19.872 15.963 1.00 0.00 C ATOM 1517 C LEU A 92 -22.807 -19.436 15.351 1.00 0.00 C ATOM 1518 O LEU A 92 -23.750 -19.119 16.091 1.00 0.00 O ATOM 1519 CB LEU A 92 -21.020 -18.919 17.119 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.646 -19.231 17.809 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.332 -18.206 18.923 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.600 -20.681 18.355 1.00 0.00 C ATOM 0 H LEU A 92 -20.108 -18.949 14.646 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.581 -20.879 16.358 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.983 -17.902 16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.798 -18.938 17.882 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.872 -19.142 17.047 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.374 -18.449 19.382 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.285 -17.205 18.494 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.116 -18.240 19.680 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.634 -20.862 18.826 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.393 -20.819 19.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.740 -21.384 17.534 1.00 0.00 H new ATOM 1534 N THR A 93 -22.895 -19.439 13.993 1.00 0.00 N ATOM 1535 CA THR A 93 -24.095 -18.998 13.243 1.00 0.00 C ATOM 1536 C THR A 93 -25.295 -19.932 13.505 1.00 0.00 C ATOM 1537 O THR A 93 -26.377 -19.488 13.905 1.00 0.00 O ATOM 1538 CB THR A 93 -23.812 -18.949 11.694 1.00 0.00 C ATOM 1539 OG1 THR A 93 -23.344 -20.236 11.256 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.782 -17.876 11.305 1.00 0.00 C ATOM 0 H THR A 93 -22.132 -19.748 13.390 1.00 0.00 H new ATOM 0 HA THR A 93 -24.338 -17.996 13.596 1.00 0.00 H new ATOM 0 HB THR A 93 -24.750 -18.687 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 93 -22.375 -20.294 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.630 -17.892 10.226 1.00 0.00 H new ATOM 0 HG22 THR A 93 -23.148 -16.894 11.606 1.00 0.00 H new ATOM 0 HG23 THR A 93 -21.837 -18.080 11.808 1.00 0.00 H new ATOM 1548 N SER A 94 -25.054 -21.232 13.301 1.00 0.00 N ATOM 1549 CA SER A 94 -26.082 -22.278 13.364 1.00 0.00 C ATOM 1550 C SER A 94 -26.271 -22.755 14.829 1.00 0.00 C ATOM 1551 O SER A 94 -27.312 -22.430 15.443 1.00 0.00 O ATOM 1552 CB SER A 94 -25.673 -23.447 12.431 1.00 0.00 C ATOM 1553 OG SER A 94 -25.323 -22.962 11.143 1.00 0.00 O ATOM 1554 OXT SER A 94 -25.348 -23.404 15.373 1.00 0.00 O ATOM 0 H SER A 94 -24.125 -21.593 13.084 1.00 0.00 H new ATOM 0 HA SER A 94 -27.039 -21.882 13.024 1.00 0.00 H new ATOM 0 HB2 SER A 94 -24.830 -23.986 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 94 -26.496 -24.157 12.347 1.00 0.00 H new ATOM 0 HG SER A 94 -25.066 -23.714 10.569 1.00 0.00 H new