USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 832 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 55 HIS : no HD1:sc= -0.0399 X(o=-3.9,f=-4.3) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -158:sc= -3.9! (180deg=-6.77!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 52:sc= -1.81 USER MOD Single : A 20 ASN : amide:sc= -0.548! C(o=-0.55!,f=-5.8!) USER MOD Single : A 25 THR OG1 : rot 3:sc= 1.08 USER MOD Single : A 26 THR OG1 : rot -119:sc= 1.18 USER MOD Single : A 27 ASN : amide:sc= -3.79! C(o=-3.8!,f=-2.8!) USER MOD Single : A 28 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.4!) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.272 (180deg=-1.62!) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.629 (180deg=-1.05) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -164:sc= 0.242 USER MOD Single : A 52 THR OG1 : rot -110:sc= -0.526 USER MOD Single : A 54 SER OG : rot 100:sc= 0.886 USER MOD Single : A 56 TYR OH : rot 134:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0787) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -41:sc= 0.0809 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.239) USER MOD Single : A 76 THR OG1 : rot -19:sc= -2.94 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0.107 (180deg=0.0505) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.54! C(o=-8.5!,f=-3.6!) USER MOD Single : A 95 MET CE :methyl 171:sc= -1.7 (180deg=-1.91) USER MOD Single : A 98 HIS : no HD1:sc= -3.28! C(o=-3.3!,f=-7.9!) USER MOD Single : A 103 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.009 -8.304 -12.792 1.00 0.00 N ATOM 60 CA PRO A 5 -15.535 -8.638 -11.419 1.00 0.00 C ATOM 61 C PRO A 5 -16.423 -7.997 -10.363 1.00 0.00 C ATOM 62 O PRO A 5 -17.129 -8.683 -9.627 1.00 0.00 O ATOM 63 CB PRO A 5 -14.127 -8.035 -11.377 1.00 0.00 C ATOM 64 CG PRO A 5 -13.648 -8.089 -12.792 1.00 0.00 C ATOM 65 CD PRO A 5 -14.891 -7.901 -13.672 1.00 0.00 C ATOM 0 HA PRO A 5 -15.553 -9.708 -11.213 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.146 -7.011 -11.004 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.473 -8.603 -10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.913 -7.307 -12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.162 -9.042 -13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.995 -6.868 -14.003 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.844 -8.520 -14.568 1.00 0.00 H new ATOM 73 N ARG A 6 -16.370 -6.673 -10.338 1.00 0.00 N ATOM 74 CA ARG A 6 -17.134 -5.852 -9.427 1.00 0.00 C ATOM 75 C ARG A 6 -17.113 -4.429 -9.962 1.00 0.00 C ATOM 76 O ARG A 6 -18.146 -3.850 -10.299 1.00 0.00 O ATOM 77 CB ARG A 6 -16.505 -5.911 -8.016 1.00 0.00 C ATOM 78 CG ARG A 6 -17.304 -6.864 -7.118 1.00 0.00 C ATOM 79 CD ARG A 6 -16.426 -7.370 -5.973 1.00 0.00 C ATOM 80 NE ARG A 6 -15.444 -8.322 -6.478 1.00 0.00 N ATOM 81 CZ ARG A 6 -14.626 -8.964 -5.655 1.00 0.00 C ATOM 82 NH1 ARG A 6 -14.717 -8.769 -4.369 1.00 0.00 N ATOM 83 NH2 ARG A 6 -13.741 -9.796 -6.130 1.00 0.00 N ATOM 0 H ARG A 6 -15.778 -6.132 -10.969 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.161 -6.209 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.470 -6.247 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.488 -4.914 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.178 -6.351 -6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.671 -7.706 -7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.919 -6.532 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.045 -7.844 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.385 -8.497 -7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.416 -8.124 -3.999 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.090 -9.261 -3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.677 -9.954 -7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.113 -10.289 -5.496 1.00 0.00 H new ATOM 97 N LYS A 7 -15.906 -3.902 -10.071 1.00 0.00 N ATOM 98 CA LYS A 7 -15.690 -2.585 -10.599 1.00 0.00 C ATOM 99 C LYS A 7 -14.199 -2.276 -10.623 1.00 0.00 C ATOM 100 O LYS A 7 -13.549 -2.200 -9.584 1.00 0.00 O ATOM 101 CB LYS A 7 -16.433 -1.512 -9.789 1.00 0.00 C ATOM 102 CG LYS A 7 -15.825 -0.145 -10.138 1.00 0.00 C ATOM 103 CD LYS A 7 -16.770 1.000 -9.791 1.00 0.00 C ATOM 104 CE LYS A 7 -16.303 2.253 -10.544 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.916 3.472 -9.939 1.00 0.00 N ATOM 0 H LYS A 7 -15.052 -4.385 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.088 -2.566 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.497 -1.527 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.340 -1.709 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -14.886 -0.017 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.590 -0.113 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.792 0.747 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.770 1.180 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.216 2.326 -10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.581 2.180 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.594 4.315 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.952 3.405 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.630 3.546 -8.942 1.00 0.00 H new ATOM 119 N ARG A 8 -13.671 -2.103 -11.820 1.00 0.00 N ATOM 120 CA ARG A 8 -12.256 -1.800 -11.993 1.00 0.00 C ATOM 121 C ARG A 8 -12.012 -0.300 -12.072 1.00 0.00 C ATOM 122 O ARG A 8 -12.596 0.393 -12.907 1.00 0.00 O ATOM 123 CB ARG A 8 -11.715 -2.473 -13.268 1.00 0.00 C ATOM 124 CG ARG A 8 -10.208 -2.227 -13.393 1.00 0.00 C ATOM 125 CD ARG A 8 -9.665 -3.001 -14.595 1.00 0.00 C ATOM 126 NE ARG A 8 -9.756 -4.435 -14.351 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.391 -5.315 -15.277 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.939 -4.901 -16.429 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.485 -6.594 -15.034 1.00 0.00 N ATOM 0 H ARG A 8 -14.199 -2.166 -12.691 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.730 -2.190 -11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.915 -3.544 -13.236 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.230 -2.078 -14.144 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.011 -1.162 -13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.700 -2.544 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.229 -2.740 -15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.628 -2.721 -14.779 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.106 -4.769 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.866 -3.901 -16.619 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.659 -5.577 -17.140 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.839 -6.917 -14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.205 -7.270 -15.745 1.00 0.00 H new ATOM 143 N VAL A 9 -11.136 0.198 -11.195 1.00 0.00 N ATOM 144 CA VAL A 9 -10.804 1.633 -11.172 1.00 0.00 C ATOM 145 C VAL A 9 -9.383 1.852 -11.663 1.00 0.00 C ATOM 146 O VAL A 9 -8.450 1.191 -11.206 1.00 0.00 O ATOM 147 CB VAL A 9 -10.893 2.195 -9.745 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.087 3.719 -9.758 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.054 1.539 -8.997 1.00 0.00 C ATOM 0 H VAL A 9 -10.646 -0.361 -10.497 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.519 2.142 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.955 1.972 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.146 4.087 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.244 4.189 -10.264 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.009 3.964 -10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.110 1.943 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.987 1.744 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.894 0.462 -8.949 1.00 0.00 H new ATOM 159 N ALA A 10 -9.220 2.801 -12.559 1.00 0.00 N ATOM 160 CA ALA A 10 -7.902 3.133 -13.075 1.00 0.00 C ATOM 161 C ALA A 10 -7.313 4.269 -12.240 1.00 0.00 C ATOM 162 O ALA A 10 -7.432 5.439 -12.610 1.00 0.00 O ATOM 163 CB ALA A 10 -8.008 3.575 -14.536 1.00 0.00 C ATOM 0 H ALA A 10 -9.981 3.358 -12.948 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.258 2.256 -13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.016 3.822 -14.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.432 2.766 -15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.651 4.452 -14.605 1.00 0.00 H new ATOM 169 N LEU A 11 -6.703 3.932 -11.101 1.00 0.00 N ATOM 170 CA LEU A 11 -6.133 4.961 -10.214 1.00 0.00 C ATOM 171 C LEU A 11 -4.627 5.109 -10.452 1.00 0.00 C ATOM 172 O LEU A 11 -3.860 4.176 -10.221 1.00 0.00 O ATOM 173 CB LEU A 11 -6.394 4.558 -8.750 1.00 0.00 C ATOM 174 CG LEU A 11 -6.428 5.808 -7.836 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.632 5.415 -6.353 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.111 6.581 -7.975 1.00 0.00 C ATOM 0 H LEU A 11 -6.590 2.973 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.607 5.919 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.341 4.023 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.615 3.875 -8.411 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.266 6.431 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.651 6.314 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.576 4.881 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.813 4.773 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.136 7.460 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.280 5.940 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.980 6.893 -9.011 1.00 0.00 H new ATOM 188 N PHE A 12 -4.211 6.290 -10.916 1.00 0.00 N ATOM 189 CA PHE A 12 -2.800 6.551 -11.182 1.00 0.00 C ATOM 190 C PHE A 12 -2.185 7.290 -10.001 1.00 0.00 C ATOM 191 O PHE A 12 -2.437 8.478 -9.803 1.00 0.00 O ATOM 192 CB PHE A 12 -2.656 7.427 -12.428 1.00 0.00 C ATOM 193 CG PHE A 12 -3.615 6.947 -13.493 1.00 0.00 C ATOM 194 CD1 PHE A 12 -3.215 5.974 -14.417 1.00 0.00 C ATOM 195 CD2 PHE A 12 -4.909 7.477 -13.551 1.00 0.00 C ATOM 196 CE1 PHE A 12 -4.113 5.532 -15.400 1.00 0.00 C ATOM 197 CE2 PHE A 12 -5.804 7.037 -14.532 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.406 6.063 -15.456 1.00 0.00 C ATOM 0 H PHE A 12 -4.831 7.076 -11.114 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.292 5.599 -11.337 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.862 8.468 -12.180 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.632 7.385 -12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.217 5.564 -14.373 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.217 8.227 -12.837 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.806 4.782 -16.114 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.802 7.448 -14.577 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.097 5.722 -16.212 1.00 0.00 H new ATOM 208 N THR A 13 -1.378 6.594 -9.230 1.00 0.00 N ATOM 209 CA THR A 13 -0.732 7.216 -8.081 1.00 0.00 C ATOM 210 C THR A 13 0.256 8.267 -8.586 1.00 0.00 C ATOM 211 O THR A 13 1.453 8.008 -8.709 1.00 0.00 O ATOM 212 CB THR A 13 -0.014 6.143 -7.221 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.035 4.906 -7.911 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.718 5.971 -5.867 1.00 0.00 C ATOM 0 H THR A 13 -1.152 5.609 -9.370 1.00 0.00 H new ATOM 0 HA THR A 13 -1.478 7.698 -7.449 1.00 0.00 H new ATOM 0 HB THR A 13 1.013 6.465 -7.046 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.304 5.034 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.198 5.214 -5.280 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.707 6.919 -5.328 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.749 5.658 -6.030 1.00 0.00 H new ATOM 222 N ASP A 14 -0.268 9.451 -8.895 1.00 0.00 N ATOM 223 CA ASP A 14 0.550 10.550 -9.410 1.00 0.00 C ATOM 224 C ASP A 14 0.592 11.699 -8.407 1.00 0.00 C ATOM 225 O ASP A 14 0.243 12.832 -8.737 1.00 0.00 O ATOM 226 CB ASP A 14 -0.040 11.042 -10.733 1.00 0.00 C ATOM 227 CG ASP A 14 0.953 11.961 -11.436 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.813 12.498 -10.758 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.840 12.114 -12.641 1.00 0.00 O ATOM 0 H ASP A 14 -1.258 9.676 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 14 1.567 10.191 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.278 10.192 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.973 11.574 -10.549 1.00 0.00 H new ATOM 234 N GLY A 15 1.010 11.391 -7.178 1.00 0.00 N ATOM 235 CA GLY A 15 1.089 12.394 -6.112 1.00 0.00 C ATOM 236 C GLY A 15 1.482 13.767 -6.653 1.00 0.00 C ATOM 237 O GLY A 15 0.636 14.519 -7.135 1.00 0.00 O ATOM 0 H GLY A 15 1.299 10.455 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.126 12.464 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.817 12.075 -5.366 1.00 0.00 H new ATOM 241 N ALA A 16 2.774 14.080 -6.576 1.00 0.00 N ATOM 242 CA ALA A 16 3.277 15.361 -7.069 1.00 0.00 C ATOM 243 C ALA A 16 4.801 15.396 -6.994 1.00 0.00 C ATOM 244 O ALA A 16 5.475 15.643 -7.994 1.00 0.00 O ATOM 245 CB ALA A 16 2.697 16.513 -6.244 1.00 0.00 C ATOM 0 H ALA A 16 3.488 13.469 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 16 2.967 15.474 -8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.080 17.461 -6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.610 16.505 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.987 16.395 -5.200 1.00 0.00 H new ATOM 251 N ALA A 17 5.334 15.147 -5.800 1.00 0.00 N ATOM 252 CA ALA A 17 6.780 15.148 -5.587 1.00 0.00 C ATOM 253 C ALA A 17 7.313 16.575 -5.486 1.00 0.00 C ATOM 254 O ALA A 17 7.741 17.165 -6.476 1.00 0.00 O ATOM 255 CB ALA A 17 7.481 14.395 -6.727 1.00 0.00 C ATOM 0 H ALA A 17 4.786 14.942 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 17 6.990 14.640 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.558 14.401 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.124 13.365 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.259 14.883 -7.676 1.00 0.00 H new ATOM 261 N LEU A 18 7.274 17.112 -4.272 1.00 0.00 N ATOM 262 CA LEU A 18 7.740 18.470 -4.012 1.00 0.00 C ATOM 263 C LEU A 18 7.612 18.799 -2.533 1.00 0.00 C ATOM 264 O LEU A 18 7.685 19.962 -2.135 1.00 0.00 O ATOM 265 CB LEU A 18 6.913 19.477 -4.830 1.00 0.00 C ATOM 266 CG LEU A 18 5.389 19.302 -4.538 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.905 20.311 -3.482 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.583 19.528 -5.823 1.00 0.00 C ATOM 0 H LEU A 18 6.922 16.625 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 18 8.788 18.537 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.221 20.493 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.104 19.334 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 18 5.239 18.289 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.840 20.165 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.456 20.159 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.075 21.325 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.521 19.404 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.765 20.537 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.890 18.804 -6.577 1.00 0.00 H new ATOM 280 N GLY A 19 7.391 17.773 -1.726 1.00 0.00 N ATOM 281 CA GLY A 19 7.215 17.968 -0.305 1.00 0.00 C ATOM 282 C GLY A 19 8.337 18.810 0.257 1.00 0.00 C ATOM 283 O GLY A 19 9.444 18.829 -0.282 1.00 0.00 O ATOM 0 H GLY A 19 7.330 16.803 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.258 18.453 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.189 17.002 0.200 1.00 0.00 H new ATOM 287 N ASN A 20 8.058 19.487 1.364 1.00 0.00 N ATOM 288 CA ASN A 20 9.077 20.310 2.015 1.00 0.00 C ATOM 289 C ASN A 20 10.403 19.533 2.044 1.00 0.00 C ATOM 290 O ASN A 20 11.444 20.063 1.651 1.00 0.00 O ATOM 291 CB ASN A 20 8.631 20.735 3.442 1.00 0.00 C ATOM 292 CG ASN A 20 7.154 20.404 3.660 1.00 0.00 C ATOM 293 OD1 ASN A 20 6.348 20.503 2.734 1.00 0.00 O ATOM 294 ND2 ASN A 20 6.752 20.024 4.840 1.00 0.00 N ATOM 0 H ASN A 20 7.149 19.485 1.827 1.00 0.00 H new ATOM 0 HA ASN A 20 9.217 21.229 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.239 20.222 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.794 21.804 3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.768 19.808 4.998 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.422 19.943 5.605 1.00 0.00 H new ATOM 301 N PRO A 21 10.377 18.277 2.448 1.00 0.00 N ATOM 302 CA PRO A 21 11.593 17.414 2.456 1.00 0.00 C ATOM 303 C PRO A 21 12.114 17.262 1.039 1.00 0.00 C ATOM 304 O PRO A 21 13.293 17.474 0.752 1.00 0.00 O ATOM 305 CB PRO A 21 11.078 16.063 2.999 1.00 0.00 C ATOM 306 CG PRO A 21 9.837 16.406 3.738 1.00 0.00 C ATOM 307 CD PRO A 21 9.208 17.532 2.933 1.00 0.00 C ATOM 0 HA PRO A 21 12.411 17.816 3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.876 15.361 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.812 15.593 3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.168 15.548 3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.058 16.723 4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.601 17.152 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.558 18.155 3.548 1.00 0.00 H new ATOM 315 N GLY A 22 11.188 16.878 0.160 1.00 0.00 N ATOM 316 CA GLY A 22 11.482 16.669 -1.245 1.00 0.00 C ATOM 317 C GLY A 22 11.013 15.275 -1.687 1.00 0.00 C ATOM 318 O GLY A 22 10.642 14.449 -0.853 1.00 0.00 O ATOM 0 H GLY A 22 10.214 16.705 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.987 17.433 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.553 16.772 -1.418 1.00 0.00 H new ATOM 322 N PRO A 23 11.053 14.989 -2.968 1.00 0.00 N ATOM 323 CA PRO A 23 10.656 13.649 -3.521 1.00 0.00 C ATOM 324 C PRO A 23 11.383 12.499 -2.833 1.00 0.00 C ATOM 325 O PRO A 23 11.044 11.331 -3.021 1.00 0.00 O ATOM 326 CB PRO A 23 11.110 13.743 -4.978 1.00 0.00 C ATOM 327 CG PRO A 23 11.030 15.179 -5.313 1.00 0.00 C ATOM 328 CD PRO A 23 11.468 15.903 -4.049 1.00 0.00 C ATOM 0 HA PRO A 23 9.594 13.446 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.125 13.366 -5.100 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.469 13.150 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.679 15.425 -6.154 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.017 15.462 -5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.544 16.076 -4.038 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.988 16.877 -3.957 1.00 0.00 H new ATOM 336 N GLY A 24 12.415 12.862 -2.093 1.00 0.00 N ATOM 337 CA GLY A 24 13.269 11.906 -1.389 1.00 0.00 C ATOM 338 C GLY A 24 12.510 10.687 -0.855 1.00 0.00 C ATOM 339 O GLY A 24 13.128 9.668 -0.562 1.00 0.00 O ATOM 0 H GLY A 24 12.691 13.835 -1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.055 11.568 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.759 12.412 -0.557 1.00 0.00 H new ATOM 343 N THR A 25 11.180 10.794 -0.778 1.00 0.00 N ATOM 344 CA THR A 25 10.316 9.694 -0.323 1.00 0.00 C ATOM 345 C THR A 25 8.924 10.205 0.066 1.00 0.00 C ATOM 346 O THR A 25 8.069 9.419 0.482 1.00 0.00 O ATOM 347 CB THR A 25 10.914 8.951 0.879 1.00 0.00 C ATOM 348 OG1 THR A 25 9.926 8.083 1.419 1.00 0.00 O ATOM 349 CG2 THR A 25 11.362 9.937 1.979 1.00 0.00 C ATOM 0 H THR A 25 10.671 11.642 -1.028 1.00 0.00 H new ATOM 0 HA THR A 25 10.236 9.005 -1.163 1.00 0.00 H new ATOM 0 HB THR A 25 11.785 8.389 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.118 8.123 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.781 9.381 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.118 10.612 1.577 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.504 10.516 2.320 1.00 0.00 H new ATOM 357 N THR A 26 8.686 11.509 -0.079 1.00 0.00 N ATOM 358 CA THR A 26 7.391 12.066 0.248 1.00 0.00 C ATOM 359 C THR A 26 6.382 11.716 -0.823 1.00 0.00 C ATOM 360 O THR A 26 5.237 11.414 -0.532 1.00 0.00 O ATOM 361 CB THR A 26 7.493 13.577 0.393 1.00 0.00 C ATOM 362 OG1 THR A 26 8.170 14.115 -0.735 1.00 0.00 O ATOM 363 CG2 THR A 26 8.266 13.913 1.665 1.00 0.00 C ATOM 0 H THR A 26 9.370 12.186 -0.417 1.00 0.00 H new ATOM 0 HA THR A 26 7.058 11.641 1.195 1.00 0.00 H new ATOM 0 HB THR A 26 6.493 14.008 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.991 14.562 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.340 14.995 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.744 13.499 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.267 13.485 1.606 1.00 0.00 H new ATOM 371 N ASN A 27 6.827 11.740 -2.060 1.00 0.00 N ATOM 372 CA ASN A 27 5.961 11.413 -3.174 1.00 0.00 C ATOM 373 C ASN A 27 5.415 10.016 -2.984 1.00 0.00 C ATOM 374 O ASN A 27 4.237 9.747 -3.206 1.00 0.00 O ATOM 375 CB ASN A 27 6.755 11.448 -4.474 1.00 0.00 C ATOM 376 CG ASN A 27 5.809 11.345 -5.665 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.252 11.347 -6.813 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.526 11.245 -5.458 1.00 0.00 N ATOM 0 H ASN A 27 7.783 11.982 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 27 5.148 12.138 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.330 12.372 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.471 10.626 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.886 11.168 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.162 11.244 -4.505 1.00 0.00 H new ATOM 385 N ASN A 28 6.302 9.141 -2.563 1.00 0.00 N ATOM 386 CA ASN A 28 5.952 7.756 -2.321 1.00 0.00 C ATOM 387 C ASN A 28 4.922 7.673 -1.204 1.00 0.00 C ATOM 388 O ASN A 28 3.939 6.940 -1.302 1.00 0.00 O ATOM 389 CB ASN A 28 7.204 6.983 -1.926 1.00 0.00 C ATOM 390 CG ASN A 28 8.270 7.119 -3.010 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.541 6.166 -3.738 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.892 8.255 -3.164 1.00 0.00 N ATOM 0 H ASN A 28 7.280 9.366 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 28 5.528 7.324 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.589 7.359 -0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.959 5.931 -1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.603 8.353 -3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.667 9.046 -2.560 1.00 0.00 H new ATOM 399 N ARG A 29 5.146 8.456 -0.154 1.00 0.00 N ATOM 400 CA ARG A 29 4.238 8.504 0.962 1.00 0.00 C ATOM 401 C ARG A 29 2.947 9.184 0.518 1.00 0.00 C ATOM 402 O ARG A 29 1.854 8.788 0.917 1.00 0.00 O ATOM 403 CB ARG A 29 4.939 9.237 2.117 1.00 0.00 C ATOM 404 CG ARG A 29 3.957 9.701 3.181 1.00 0.00 C ATOM 405 CD ARG A 29 4.693 10.570 4.219 1.00 0.00 C ATOM 406 NE ARG A 29 4.210 10.256 5.547 1.00 0.00 N ATOM 407 CZ ARG A 29 3.210 10.931 6.118 1.00 0.00 C ATOM 408 NH1 ARG A 29 2.616 11.899 5.474 1.00 0.00 N ATOM 409 NH2 ARG A 29 2.817 10.616 7.323 1.00 0.00 N ATOM 0 H ARG A 29 5.958 9.067 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 29 3.969 7.508 1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.678 8.576 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.480 10.098 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.150 10.271 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.501 8.840 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.767 10.393 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.532 11.626 4.003 1.00 0.00 H new ATOM 0 HE ARG A 29 4.648 9.494 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.916 12.143 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.852 12.412 5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.274 9.855 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.053 11.131 7.761 1.00 0.00 H new ATOM 423 N MET A 30 3.082 10.209 -0.322 1.00 0.00 N ATOM 424 CA MET A 30 1.920 10.925 -0.827 1.00 0.00 C ATOM 425 C MET A 30 1.089 10.013 -1.708 1.00 0.00 C ATOM 426 O MET A 30 -0.137 9.977 -1.602 1.00 0.00 O ATOM 427 CB MET A 30 2.397 12.136 -1.620 1.00 0.00 C ATOM 428 CG MET A 30 3.126 13.117 -0.681 1.00 0.00 C ATOM 429 SD MET A 30 2.002 14.447 -0.175 1.00 0.00 S ATOM 430 CE MET A 30 1.729 15.187 -1.806 1.00 0.00 C ATOM 0 H MET A 30 3.978 10.557 -0.663 1.00 0.00 H new ATOM 0 HA MET A 30 1.298 11.255 0.005 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.066 11.819 -2.420 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.548 12.631 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.493 12.587 0.198 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.996 13.538 -1.186 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.662 16.270 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.560 14.933 -2.464 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.801 14.803 -2.229 1.00 0.00 H new ATOM 440 N GLU A 31 1.765 9.246 -2.553 1.00 0.00 N ATOM 441 CA GLU A 31 1.070 8.306 -3.409 1.00 0.00 C ATOM 442 C GLU A 31 0.434 7.251 -2.529 1.00 0.00 C ATOM 443 O GLU A 31 -0.665 6.767 -2.803 1.00 0.00 O ATOM 444 CB GLU A 31 2.040 7.654 -4.393 1.00 0.00 C ATOM 445 CG GLU A 31 2.403 8.656 -5.492 1.00 0.00 C ATOM 446 CD GLU A 31 3.422 8.040 -6.442 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.738 6.875 -6.266 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.869 8.740 -7.335 1.00 0.00 O ATOM 0 H GLU A 31 2.779 9.258 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 31 0.308 8.827 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.940 7.329 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.587 6.765 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.508 8.944 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.810 9.564 -5.048 1.00 0.00 H new ATOM 455 N LEU A 32 1.128 6.928 -1.445 1.00 0.00 N ATOM 456 CA LEU A 32 0.629 5.969 -0.498 1.00 0.00 C ATOM 457 C LEU A 32 -0.571 6.584 0.217 1.00 0.00 C ATOM 458 O LEU A 32 -1.566 5.910 0.469 1.00 0.00 O ATOM 459 CB LEU A 32 1.735 5.613 0.502 1.00 0.00 C ATOM 460 CG LEU A 32 1.289 4.435 1.389 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.479 3.098 0.657 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.096 4.402 2.703 1.00 0.00 C ATOM 0 H LEU A 32 2.038 7.323 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 32 0.320 5.053 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.648 5.350 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.967 6.478 1.123 1.00 0.00 H new ATOM 0 HG LEU A 32 0.232 4.578 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.157 2.281 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.883 3.095 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.531 2.968 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.764 3.562 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.156 4.289 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.939 5.332 3.250 1.00 0.00 H new ATOM 474 N LYS A 33 -0.457 7.884 0.521 1.00 0.00 N ATOM 475 CA LYS A 33 -1.524 8.629 1.195 1.00 0.00 C ATOM 476 C LYS A 33 -2.784 8.648 0.323 1.00 0.00 C ATOM 477 O LYS A 33 -3.903 8.449 0.804 1.00 0.00 O ATOM 478 CB LYS A 33 -1.041 10.063 1.450 1.00 0.00 C ATOM 479 CG LYS A 33 -1.854 10.733 2.573 1.00 0.00 C ATOM 480 CD LYS A 33 -3.314 10.986 2.124 1.00 0.00 C ATOM 481 CE LYS A 33 -3.853 12.259 2.792 1.00 0.00 C ATOM 482 NZ LYS A 33 -5.289 12.445 2.437 1.00 0.00 N ATOM 0 H LYS A 33 0.370 8.442 0.308 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.766 8.147 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.015 10.051 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.130 10.648 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.847 10.099 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.386 11.677 2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.358 11.087 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.938 10.133 2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.742 12.188 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.274 13.124 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.581 13.416 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.419 12.279 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.870 11.770 2.975 1.00 0.00 H new ATOM 496 N ALA A 34 -2.585 8.882 -0.968 1.00 0.00 N ATOM 497 CA ALA A 34 -3.699 8.917 -1.911 1.00 0.00 C ATOM 498 C ALA A 34 -4.338 7.536 -2.022 1.00 0.00 C ATOM 499 O ALA A 34 -5.531 7.411 -2.293 1.00 0.00 O ATOM 500 CB ALA A 34 -3.204 9.369 -3.286 1.00 0.00 C ATOM 0 H ALA A 34 -1.670 9.050 -1.385 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.444 9.624 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.041 9.393 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.769 10.365 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.449 8.671 -3.648 1.00 0.00 H new ATOM 506 N ALA A 35 -3.527 6.505 -1.809 1.00 0.00 N ATOM 507 CA ALA A 35 -4.004 5.132 -1.884 1.00 0.00 C ATOM 508 C ALA A 35 -4.931 4.826 -0.717 1.00 0.00 C ATOM 509 O ALA A 35 -6.092 4.475 -0.918 1.00 0.00 O ATOM 510 CB ALA A 35 -2.819 4.163 -1.865 1.00 0.00 C ATOM 0 H ALA A 35 -2.536 6.596 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.556 5.009 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.186 3.138 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.171 4.364 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.255 4.296 -0.942 1.00 0.00 H new ATOM 516 N ILE A 36 -4.421 4.976 0.507 1.00 0.00 N ATOM 517 CA ILE A 36 -5.234 4.713 1.691 1.00 0.00 C ATOM 518 C ILE A 36 -6.570 5.427 1.542 1.00 0.00 C ATOM 519 O ILE A 36 -7.617 4.877 1.878 1.00 0.00 O ATOM 520 CB ILE A 36 -4.478 5.159 2.971 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.396 5.145 4.216 1.00 0.00 C ATOM 522 CG2 ILE A 36 -3.838 6.530 2.786 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.430 6.289 4.220 1.00 0.00 C ATOM 0 H ILE A 36 -3.465 5.273 0.701 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.424 3.644 1.787 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.683 4.433 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.920 4.190 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.782 5.216 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.316 6.814 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.128 6.492 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.611 7.266 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.042 6.223 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.912 7.248 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.068 6.206 3.340 1.00 0.00 H new ATOM 535 N GLU A 37 -6.530 6.634 0.987 1.00 0.00 N ATOM 536 CA GLU A 37 -7.750 7.390 0.754 1.00 0.00 C ATOM 537 C GLU A 37 -8.531 6.786 -0.409 1.00 0.00 C ATOM 538 O GLU A 37 -9.759 6.776 -0.406 1.00 0.00 O ATOM 539 CB GLU A 37 -7.420 8.854 0.437 1.00 0.00 C ATOM 540 CG GLU A 37 -6.894 9.550 1.694 1.00 0.00 C ATOM 541 CD GLU A 37 -8.005 9.664 2.733 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.160 9.610 2.344 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.685 9.811 3.901 1.00 0.00 O ATOM 0 H GLU A 37 -5.674 7.104 0.693 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.357 7.347 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.675 8.905 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.310 9.366 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.056 8.988 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.519 10.542 1.440 1.00 0.00 H new ATOM 550 N GLY A 38 -7.803 6.307 -1.414 1.00 0.00 N ATOM 551 CA GLY A 38 -8.436 5.731 -2.596 1.00 0.00 C ATOM 552 C GLY A 38 -9.091 4.381 -2.315 1.00 0.00 C ATOM 553 O GLY A 38 -9.776 3.835 -3.179 1.00 0.00 O ATOM 0 H GLY A 38 -6.783 6.306 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.188 6.423 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.689 5.612 -3.381 1.00 0.00 H new ATOM 557 N LEU A 39 -8.881 3.836 -1.115 1.00 0.00 N ATOM 558 CA LEU A 39 -9.467 2.543 -0.751 1.00 0.00 C ATOM 559 C LEU A 39 -10.342 2.711 0.484 1.00 0.00 C ATOM 560 O LEU A 39 -11.212 1.887 0.765 1.00 0.00 O ATOM 561 CB LEU A 39 -8.356 1.518 -0.463 1.00 0.00 C ATOM 562 CG LEU A 39 -7.243 1.559 -1.572 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.839 1.628 -0.947 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.312 0.300 -2.450 1.00 0.00 C ATOM 0 H LEU A 39 -8.314 4.265 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.073 2.181 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.911 1.724 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.785 0.517 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.421 2.450 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.090 1.655 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.756 2.528 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.675 0.750 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.534 0.345 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.162 -0.584 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.289 0.245 -2.931 1.00 0.00 H new ATOM 576 N LYS A 40 -10.099 3.796 1.216 1.00 0.00 N ATOM 577 CA LYS A 40 -10.848 4.105 2.420 1.00 0.00 C ATOM 578 C LYS A 40 -11.961 5.092 2.094 1.00 0.00 C ATOM 579 O LYS A 40 -13.000 5.123 2.754 1.00 0.00 O ATOM 580 CB LYS A 40 -9.894 4.744 3.430 1.00 0.00 C ATOM 581 CG LYS A 40 -10.608 5.032 4.772 1.00 0.00 C ATOM 582 CD LYS A 40 -10.038 6.309 5.391 1.00 0.00 C ATOM 583 CE LYS A 40 -10.756 6.613 6.706 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.158 7.827 7.328 1.00 0.00 N ATOM 0 H LYS A 40 -9.378 4.481 0.988 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.285 3.194 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.046 4.082 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.496 5.672 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.680 5.142 4.609 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.473 4.193 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.969 6.192 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.157 7.143 4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.819 6.770 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.671 5.764 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.646 8.035 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.149 7.660 7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.262 8.635 6.682 1.00 0.00 H new ATOM 598 N ALA A 41 -11.737 5.910 1.076 1.00 0.00 N ATOM 599 CA ALA A 41 -12.734 6.910 0.694 1.00 0.00 C ATOM 600 C ALA A 41 -13.773 6.311 -0.236 1.00 0.00 C ATOM 601 O ALA A 41 -14.627 7.017 -0.773 1.00 0.00 O ATOM 602 CB ALA A 41 -12.049 8.106 0.034 1.00 0.00 C ATOM 0 H ALA A 41 -10.891 5.906 0.506 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.246 7.250 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.799 8.845 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.343 8.553 0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.515 7.774 -0.857 1.00 0.00 H new ATOM 608 N LEU A 42 -13.688 5.001 -0.418 1.00 0.00 N ATOM 609 CA LEU A 42 -14.619 4.276 -1.288 1.00 0.00 C ATOM 610 C LEU A 42 -15.346 3.174 -0.516 1.00 0.00 C ATOM 611 O LEU A 42 -16.575 3.154 -0.462 1.00 0.00 O ATOM 612 CB LEU A 42 -13.829 3.669 -2.470 1.00 0.00 C ATOM 613 CG LEU A 42 -13.692 4.706 -3.639 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.262 4.690 -4.191 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.666 4.383 -4.793 1.00 0.00 C ATOM 0 H LEU A 42 -12.983 4.412 0.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.371 4.970 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.839 3.362 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.335 2.773 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.932 5.689 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.177 5.413 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.563 4.951 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.028 3.694 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.546 5.120 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.449 3.389 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.691 4.412 -4.423 1.00 0.00 H new ATOM 627 N LYS A 43 -14.569 2.252 0.050 1.00 0.00 N ATOM 628 CA LYS A 43 -15.110 1.130 0.801 1.00 0.00 C ATOM 629 C LYS A 43 -15.988 0.284 -0.090 1.00 0.00 C ATOM 630 O LYS A 43 -16.777 -0.535 0.382 1.00 0.00 O ATOM 631 CB LYS A 43 -15.900 1.648 2.006 1.00 0.00 C ATOM 632 CG LYS A 43 -14.925 2.129 3.107 1.00 0.00 C ATOM 633 CD LYS A 43 -15.546 3.286 3.896 1.00 0.00 C ATOM 634 CE LYS A 43 -14.624 3.666 5.053 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.207 4.822 5.792 1.00 0.00 N ATOM 0 H LYS A 43 -13.550 2.265 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.290 0.509 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.550 2.468 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.543 0.859 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.690 1.305 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.986 2.450 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.700 4.145 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.525 2.996 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.497 2.817 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.635 3.924 4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.580 5.082 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.306 5.632 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.142 4.560 6.165 1.00 0.00 H new ATOM 649 N GLU A 44 -15.833 0.487 -1.392 1.00 0.00 N ATOM 650 CA GLU A 44 -16.585 -0.243 -2.377 1.00 0.00 C ATOM 651 C GLU A 44 -15.677 -1.342 -2.960 1.00 0.00 C ATOM 652 O GLU A 44 -14.763 -1.044 -3.728 1.00 0.00 O ATOM 653 CB GLU A 44 -17.061 0.771 -3.453 1.00 0.00 C ATOM 654 CG GLU A 44 -16.961 0.195 -4.868 1.00 0.00 C ATOM 655 CD GLU A 44 -17.800 1.022 -5.836 1.00 0.00 C ATOM 656 OE1 GLU A 44 -17.505 2.195 -5.989 1.00 0.00 O ATOM 657 OE2 GLU A 44 -18.721 0.468 -6.411 1.00 0.00 O ATOM 0 H GLU A 44 -15.180 1.165 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.464 -0.730 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.093 1.057 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.460 1.678 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.920 0.188 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.303 -0.840 -4.872 1.00 0.00 H new ATOM 664 N PRO A 45 -15.879 -2.594 -2.617 1.00 0.00 N ATOM 665 CA PRO A 45 -15.021 -3.681 -3.158 1.00 0.00 C ATOM 666 C PRO A 45 -14.853 -3.538 -4.672 1.00 0.00 C ATOM 667 O PRO A 45 -15.769 -3.840 -5.436 1.00 0.00 O ATOM 668 CB PRO A 45 -15.783 -4.960 -2.784 1.00 0.00 C ATOM 669 CG PRO A 45 -16.547 -4.601 -1.551 1.00 0.00 C ATOM 670 CD PRO A 45 -16.908 -3.118 -1.694 1.00 0.00 C ATOM 0 HA PRO A 45 -14.008 -3.672 -2.756 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.451 -5.272 -3.587 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.099 -5.788 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.444 -5.213 -1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.947 -4.772 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.912 -2.987 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.882 -2.605 -0.733 1.00 0.00 H new ATOM 678 N ALA A 46 -13.690 -3.039 -5.098 1.00 0.00 N ATOM 679 CA ALA A 46 -13.433 -2.818 -6.529 1.00 0.00 C ATOM 680 C ALA A 46 -12.004 -3.198 -6.923 1.00 0.00 C ATOM 681 O ALA A 46 -11.089 -3.154 -6.101 1.00 0.00 O ATOM 682 CB ALA A 46 -13.713 -1.338 -6.843 1.00 0.00 C ATOM 0 H ALA A 46 -12.918 -2.782 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.092 -3.461 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.529 -1.149 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.752 -1.107 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.057 -0.708 -6.243 1.00 0.00 H new ATOM 688 N GLU A 47 -11.824 -3.562 -8.205 1.00 0.00 N ATOM 689 CA GLU A 47 -10.500 -3.937 -8.708 1.00 0.00 C ATOM 690 C GLU A 47 -9.753 -2.683 -9.135 1.00 0.00 C ATOM 691 O GLU A 47 -9.780 -2.292 -10.287 1.00 0.00 O ATOM 692 CB GLU A 47 -10.629 -4.884 -9.908 1.00 0.00 C ATOM 693 CG GLU A 47 -11.176 -6.239 -9.451 1.00 0.00 C ATOM 694 CD GLU A 47 -11.102 -7.244 -10.595 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.962 -6.815 -11.728 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.187 -8.429 -10.319 1.00 0.00 O ATOM 0 H GLU A 47 -12.570 -3.603 -8.899 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.953 -4.447 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.292 -4.449 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.657 -5.017 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.603 -6.603 -8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.208 -6.130 -9.118 1.00 0.00 H new ATOM 703 N VAL A 48 -9.097 -2.040 -8.202 1.00 0.00 N ATOM 704 CA VAL A 48 -8.390 -0.814 -8.516 1.00 0.00 C ATOM 705 C VAL A 48 -7.047 -1.092 -9.160 1.00 0.00 C ATOM 706 O VAL A 48 -6.114 -1.564 -8.509 1.00 0.00 O ATOM 707 CB VAL A 48 -8.154 -0.022 -7.227 1.00 0.00 C ATOM 708 CG1 VAL A 48 -7.906 1.476 -7.533 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.361 -0.183 -6.276 1.00 0.00 C ATOM 0 H VAL A 48 -9.035 -2.337 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.002 -0.247 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.263 -0.419 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.741 2.015 -6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.028 1.577 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.774 1.892 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.183 0.384 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.261 0.190 -6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.492 -1.237 -6.029 1.00 0.00 H new ATOM 719 N ASP A 49 -6.944 -0.744 -10.423 1.00 0.00 N ATOM 720 CA ASP A 49 -5.686 -0.906 -11.131 1.00 0.00 C ATOM 721 C ASP A 49 -4.761 0.224 -10.722 1.00 0.00 C ATOM 722 O ASP A 49 -4.445 1.115 -11.512 1.00 0.00 O ATOM 723 CB ASP A 49 -5.901 -0.908 -12.648 1.00 0.00 C ATOM 724 CG ASP A 49 -4.611 -1.317 -13.352 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.558 -1.150 -12.760 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.697 -1.797 -14.470 1.00 0.00 O ATOM 0 H ASP A 49 -7.704 -0.351 -10.979 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.241 -1.866 -10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.703 -1.598 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.210 0.082 -12.982 1.00 0.00 H new ATOM 731 N LEU A 50 -4.353 0.176 -9.460 1.00 0.00 N ATOM 732 CA LEU A 50 -3.485 1.192 -8.896 1.00 0.00 C ATOM 733 C LEU A 50 -2.129 1.191 -9.595 1.00 0.00 C ATOM 734 O LEU A 50 -1.295 0.323 -9.332 1.00 0.00 O ATOM 735 CB LEU A 50 -3.287 0.914 -7.386 1.00 0.00 C ATOM 736 CG LEU A 50 -2.920 2.216 -6.643 1.00 0.00 C ATOM 737 CD1 LEU A 50 -2.973 2.010 -5.117 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.515 2.671 -7.055 1.00 0.00 C ATOM 0 H LEU A 50 -4.614 -0.563 -8.807 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.949 2.168 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.199 0.492 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.499 0.174 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.646 2.983 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.711 2.941 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.980 1.711 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.266 1.231 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.261 3.590 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.792 1.896 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.491 2.851 -8.130 1.00 0.00 H new ATOM 750 N TYR A 51 -1.894 2.175 -10.466 1.00 0.00 N ATOM 751 CA TYR A 51 -0.604 2.262 -11.152 1.00 0.00 C ATOM 752 C TYR A 51 0.346 3.118 -10.313 1.00 0.00 C ATOM 753 O TYR A 51 0.151 4.326 -10.199 1.00 0.00 O ATOM 754 CB TYR A 51 -0.743 2.890 -12.547 1.00 0.00 C ATOM 755 CG TYR A 51 -1.959 2.348 -13.268 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.196 2.984 -13.131 1.00 0.00 C ATOM 757 CD2 TYR A 51 -1.846 1.213 -14.083 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.313 2.489 -13.807 1.00 0.00 C ATOM 759 CE2 TYR A 51 -2.967 0.717 -14.756 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.200 1.355 -14.619 1.00 0.00 C ATOM 761 OH TYR A 51 -5.307 0.863 -15.280 1.00 0.00 O ATOM 0 H TYR A 51 -2.562 2.906 -10.709 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.214 1.251 -11.273 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.823 3.973 -12.456 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.153 2.685 -13.133 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.288 3.858 -12.503 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.891 0.720 -14.191 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.268 2.983 -13.703 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.878 -0.159 -15.381 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.128 -0.052 -15.582 1.00 0.00 H new ATOM 771 N THR A 52 1.359 2.491 -9.707 1.00 0.00 N ATOM 772 CA THR A 52 2.311 3.216 -8.851 1.00 0.00 C ATOM 773 C THR A 52 3.736 3.098 -9.378 1.00 0.00 C ATOM 774 O THR A 52 4.292 2.010 -9.451 1.00 0.00 O ATOM 775 CB THR A 52 2.257 2.644 -7.428 1.00 0.00 C ATOM 776 OG1 THR A 52 3.245 3.283 -6.630 1.00 0.00 O ATOM 777 CG2 THR A 52 2.521 1.132 -7.448 1.00 0.00 C ATOM 0 H THR A 52 1.543 1.491 -9.790 1.00 0.00 H new ATOM 0 HA THR A 52 2.029 4.269 -8.851 1.00 0.00 H new ATOM 0 HB THR A 52 1.266 2.823 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.959 2.645 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.479 0.742 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.764 0.638 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.508 0.940 -7.870 1.00 0.00 H new ATOM 785 N ASP A 53 4.334 4.230 -9.726 1.00 0.00 N ATOM 786 CA ASP A 53 5.706 4.240 -10.230 1.00 0.00 C ATOM 787 C ASP A 53 6.667 4.656 -9.123 1.00 0.00 C ATOM 788 O ASP A 53 7.610 5.413 -9.354 1.00 0.00 O ATOM 789 CB ASP A 53 5.821 5.222 -11.397 1.00 0.00 C ATOM 790 CG ASP A 53 5.486 6.636 -10.928 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.369 6.833 -9.730 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.343 7.500 -11.777 1.00 0.00 O ATOM 0 H ASP A 53 3.896 5.149 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 53 5.963 3.237 -10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.831 5.196 -11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.144 4.927 -12.199 1.00 0.00 H new ATOM 797 N SER A 54 6.421 4.151 -7.915 1.00 0.00 N ATOM 798 CA SER A 54 7.270 4.469 -6.760 1.00 0.00 C ATOM 799 C SER A 54 8.239 3.325 -6.467 1.00 0.00 C ATOM 800 O SER A 54 7.993 2.176 -6.837 1.00 0.00 O ATOM 801 CB SER A 54 6.401 4.745 -5.535 1.00 0.00 C ATOM 802 OG SER A 54 5.859 6.055 -5.632 1.00 0.00 O ATOM 0 H SER A 54 5.645 3.522 -7.708 1.00 0.00 H new ATOM 0 HA SER A 54 7.852 5.360 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.598 4.010 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.994 4.650 -4.625 1.00 0.00 H new ATOM 0 HG SER A 54 4.934 6.003 -5.951 1.00 0.00 H new ATOM 808 N HIS A 55 9.354 3.659 -5.813 1.00 0.00 N ATOM 809 CA HIS A 55 10.381 2.668 -5.480 1.00 0.00 C ATOM 810 C HIS A 55 10.200 2.118 -4.070 1.00 0.00 C ATOM 811 O HIS A 55 11.059 1.395 -3.569 1.00 0.00 O ATOM 812 CB HIS A 55 11.768 3.306 -5.602 1.00 0.00 C ATOM 813 CG HIS A 55 12.120 3.485 -7.054 1.00 0.00 C ATOM 814 ND1 HIS A 55 11.556 4.481 -7.835 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.978 2.801 -7.879 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.076 4.369 -9.070 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.949 3.362 -9.152 1.00 0.00 N ATOM 0 H HIS A 55 9.569 4.607 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 55 10.283 1.839 -6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.781 4.270 -5.094 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.512 2.677 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.583 1.956 -7.585 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.819 5.016 -9.896 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.480 3.067 -9.971 1.00 0.00 H new ATOM 825 N TYR A 56 9.088 2.465 -3.435 1.00 0.00 N ATOM 826 CA TYR A 56 8.801 2.001 -2.068 1.00 0.00 C ATOM 827 C TYR A 56 7.584 1.088 -2.072 1.00 0.00 C ATOM 828 O TYR A 56 7.603 0.001 -1.496 1.00 0.00 O ATOM 829 CB TYR A 56 8.539 3.213 -1.166 1.00 0.00 C ATOM 830 CG TYR A 56 8.145 2.804 0.255 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.868 1.826 0.973 1.00 0.00 C ATOM 832 CD2 TYR A 56 7.044 3.426 0.866 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.483 1.485 2.276 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.667 3.081 2.165 1.00 0.00 C ATOM 835 CZ TYR A 56 7.382 2.111 2.871 1.00 0.00 C ATOM 836 OH TYR A 56 7.005 1.772 4.155 1.00 0.00 O ATOM 0 H TYR A 56 8.367 3.064 -3.836 1.00 0.00 H new ATOM 0 HA TYR A 56 9.657 1.443 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.433 3.835 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.746 3.821 -1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.718 1.341 0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.485 4.177 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.038 0.737 2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.819 3.566 2.626 1.00 0.00 H new ATOM 0 HH TYR A 56 6.832 2.587 4.671 1.00 0.00 H new ATOM 846 N LEU A 57 6.531 1.539 -2.739 1.00 0.00 N ATOM 847 CA LEU A 57 5.310 0.769 -2.836 1.00 0.00 C ATOM 848 C LEU A 57 5.585 -0.538 -3.579 1.00 0.00 C ATOM 849 O LEU A 57 5.118 -1.612 -3.190 1.00 0.00 O ATOM 850 CB LEU A 57 4.275 1.587 -3.614 1.00 0.00 C ATOM 851 CG LEU A 57 3.658 2.680 -2.715 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.731 3.722 -2.353 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.514 3.362 -3.474 1.00 0.00 C ATOM 0 H LEU A 57 6.503 2.438 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 57 4.935 0.542 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.746 2.046 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.490 0.929 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 57 3.277 2.230 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.291 4.492 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.547 3.234 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.116 4.179 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.072 4.136 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.901 3.813 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.754 2.623 -3.728 1.00 0.00 H new ATOM 865 N LYS A 58 6.364 -0.422 -4.649 1.00 0.00 N ATOM 866 CA LYS A 58 6.733 -1.570 -5.465 1.00 0.00 C ATOM 867 C LYS A 58 7.683 -2.467 -4.691 1.00 0.00 C ATOM 868 O LYS A 58 7.431 -3.654 -4.502 1.00 0.00 O ATOM 869 CB LYS A 58 7.421 -1.055 -6.727 1.00 0.00 C ATOM 870 CG LYS A 58 7.902 -2.213 -7.605 1.00 0.00 C ATOM 871 CD LYS A 58 8.758 -1.643 -8.722 1.00 0.00 C ATOM 872 CE LYS A 58 9.212 -2.774 -9.645 1.00 0.00 C ATOM 873 NZ LYS A 58 10.143 -2.236 -10.678 1.00 0.00 N ATOM 0 H LYS A 58 6.754 0.463 -4.972 1.00 0.00 H new ATOM 0 HA LYS A 58 5.846 -2.147 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.730 -0.429 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.268 -0.427 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.476 -2.925 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.051 -2.755 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.191 -0.903 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.624 -1.130 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.707 -3.553 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.348 -3.234 -10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.542 -3.023 -11.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.625 -1.596 -11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.913 -1.713 -10.213 1.00 0.00 H new ATOM 887 N LYS A 59 8.774 -1.872 -4.245 1.00 0.00 N ATOM 888 CA LYS A 59 9.786 -2.581 -3.484 1.00 0.00 C ATOM 889 C LYS A 59 9.142 -3.518 -2.463 1.00 0.00 C ATOM 890 O LYS A 59 9.514 -4.681 -2.357 1.00 0.00 O ATOM 891 CB LYS A 59 10.633 -1.533 -2.764 1.00 0.00 C ATOM 892 CG LYS A 59 11.691 -2.173 -1.855 1.00 0.00 C ATOM 893 CD LYS A 59 12.357 -1.065 -0.993 1.00 0.00 C ATOM 894 CE LYS A 59 11.925 -1.213 0.474 1.00 0.00 C ATOM 895 NZ LYS A 59 12.519 -0.111 1.286 1.00 0.00 N ATOM 0 H LYS A 59 8.983 -0.886 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 59 10.398 -3.189 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.125 -0.897 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.985 -0.890 -2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.231 -2.924 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.443 -2.685 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.442 -1.135 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.073 -0.081 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.838 -1.187 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.248 -2.179 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.225 -0.214 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.556 -0.156 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.190 0.806 0.921 1.00 0.00 H new ATOM 909 N ALA A 60 8.190 -3.000 -1.705 1.00 0.00 N ATOM 910 CA ALA A 60 7.527 -3.807 -0.686 1.00 0.00 C ATOM 911 C ALA A 60 6.700 -4.926 -1.313 1.00 0.00 C ATOM 912 O ALA A 60 6.937 -6.106 -1.055 1.00 0.00 O ATOM 913 CB ALA A 60 6.622 -2.921 0.171 1.00 0.00 C ATOM 0 H ALA A 60 7.860 -2.037 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 60 8.298 -4.260 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.130 -3.530 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.221 -2.150 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.869 -2.451 -0.461 1.00 0.00 H new ATOM 919 N PHE A 61 5.709 -4.545 -2.104 1.00 0.00 N ATOM 920 CA PHE A 61 4.817 -5.504 -2.731 1.00 0.00 C ATOM 921 C PHE A 61 5.590 -6.529 -3.579 1.00 0.00 C ATOM 922 O PHE A 61 5.327 -7.729 -3.501 1.00 0.00 O ATOM 923 CB PHE A 61 3.822 -4.727 -3.615 1.00 0.00 C ATOM 924 CG PHE A 61 2.475 -5.414 -3.602 1.00 0.00 C ATOM 925 CD1 PHE A 61 2.218 -6.512 -4.433 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.485 -4.948 -2.731 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.965 -7.140 -4.393 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.238 -5.575 -2.690 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.024 -6.670 -3.520 1.00 0.00 C ATOM 0 H PHE A 61 5.503 -3.571 -2.327 1.00 0.00 H new ATOM 0 HA PHE A 61 4.290 -6.061 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.722 -3.704 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.199 -4.667 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.984 -6.874 -5.103 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.685 -4.102 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.763 -7.985 -5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.525 -5.214 -2.017 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.989 -7.153 -3.488 1.00 0.00 H new ATOM 939 N THR A 62 6.527 -6.050 -4.396 1.00 0.00 N ATOM 940 CA THR A 62 7.308 -6.940 -5.260 1.00 0.00 C ATOM 941 C THR A 62 8.177 -7.891 -4.439 1.00 0.00 C ATOM 942 O THR A 62 8.495 -8.993 -4.887 1.00 0.00 O ATOM 943 CB THR A 62 8.185 -6.124 -6.216 1.00 0.00 C ATOM 944 OG1 THR A 62 8.935 -5.169 -5.480 1.00 0.00 O ATOM 945 CG2 THR A 62 7.299 -5.412 -7.243 1.00 0.00 C ATOM 0 H THR A 62 6.764 -5.061 -4.479 1.00 0.00 H new ATOM 0 HA THR A 62 6.605 -7.537 -5.841 1.00 0.00 H new ATOM 0 HB THR A 62 8.872 -6.791 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.366 -4.768 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.924 -4.832 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.734 -6.151 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.608 -4.745 -6.727 1.00 0.00 H new ATOM 953 N GLU A 63 8.539 -7.481 -3.225 1.00 0.00 N ATOM 954 CA GLU A 63 9.344 -8.335 -2.351 1.00 0.00 C ATOM 955 C GLU A 63 8.446 -9.375 -1.687 1.00 0.00 C ATOM 956 O GLU A 63 8.922 -10.302 -1.032 1.00 0.00 O ATOM 957 CB GLU A 63 10.060 -7.488 -1.292 1.00 0.00 C ATOM 958 CG GLU A 63 11.302 -6.832 -1.907 1.00 0.00 C ATOM 959 CD GLU A 63 11.886 -5.812 -0.935 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.111 -5.093 -0.328 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.099 -5.764 -0.814 1.00 0.00 O ATOM 0 H GLU A 63 8.292 -6.575 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 63 10.100 -8.847 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.386 -6.723 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.348 -8.113 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.047 -7.592 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.039 -6.344 -2.845 1.00 0.00 H new ATOM 968 N GLY A 64 7.145 -9.216 -1.891 1.00 0.00 N ATOM 969 CA GLY A 64 6.160 -10.144 -1.345 1.00 0.00 C ATOM 970 C GLY A 64 6.393 -10.448 0.132 1.00 0.00 C ATOM 971 O GLY A 64 5.721 -11.310 0.698 1.00 0.00 O ATOM 0 H GLY A 64 6.745 -8.450 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.162 -9.725 -1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.190 -11.074 -1.912 1.00 0.00 H new ATOM 975 N TRP A 65 7.337 -9.750 0.769 1.00 0.00 N ATOM 976 CA TRP A 65 7.602 -9.993 2.187 1.00 0.00 C ATOM 977 C TRP A 65 6.585 -9.263 3.055 1.00 0.00 C ATOM 978 O TRP A 65 6.724 -9.190 4.277 1.00 0.00 O ATOM 979 CB TRP A 65 9.048 -9.616 2.572 1.00 0.00 C ATOM 980 CG TRP A 65 9.386 -8.148 2.396 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.526 -7.103 2.225 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.724 -7.561 2.398 1.00 0.00 C ATOM 983 NE1 TRP A 65 9.259 -5.933 2.138 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.610 -6.163 2.231 1.00 0.00 C ATOM 985 CE3 TRP A 65 12.014 -8.107 2.526 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.730 -5.334 2.197 1.00 0.00 C ATOM 987 CZ3 TRP A 65 13.147 -7.275 2.490 1.00 0.00 C ATOM 988 CH2 TRP A 65 13.004 -5.891 2.326 1.00 0.00 C ATOM 0 H TRP A 65 7.917 -9.030 0.338 1.00 0.00 H new ATOM 0 HA TRP A 65 7.496 -11.063 2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.216 -9.892 3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.737 -10.209 1.970 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.450 -7.177 2.167 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.845 -5.008 2.019 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.135 -9.173 2.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.613 -4.268 2.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 14.133 -7.705 2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.877 -5.256 2.299 1.00 0.00 H new ATOM 999 N LEU A 66 5.556 -8.730 2.398 1.00 0.00 N ATOM 1000 CA LEU A 66 4.498 -8.005 3.091 1.00 0.00 C ATOM 1001 C LEU A 66 3.799 -8.972 4.058 1.00 0.00 C ATOM 1002 O LEU A 66 3.394 -8.620 5.169 1.00 0.00 O ATOM 1003 CB LEU A 66 3.508 -7.436 2.053 1.00 0.00 C ATOM 1004 CG LEU A 66 2.820 -6.156 2.590 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.091 -5.421 1.451 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.820 -6.507 3.701 1.00 0.00 C ATOM 0 H LEU A 66 5.435 -8.788 1.387 1.00 0.00 H new ATOM 0 HA LEU A 66 4.906 -7.171 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.036 -7.209 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.754 -8.186 1.814 1.00 0.00 H new ATOM 0 HG LEU A 66 3.590 -5.503 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.613 -4.524 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.809 -5.141 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.334 -6.077 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.347 -5.595 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.058 -7.178 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.345 -6.997 4.521 1.00 0.00 H new ATOM 1018 N GLU A 67 3.703 -10.219 3.649 1.00 0.00 N ATOM 1019 CA GLU A 67 3.113 -11.217 4.515 1.00 0.00 C ATOM 1020 C GLU A 67 4.003 -11.320 5.751 1.00 0.00 C ATOM 1021 O GLU A 67 3.531 -11.308 6.895 1.00 0.00 O ATOM 1022 CB GLU A 67 3.009 -12.560 3.758 1.00 0.00 C ATOM 1023 CG GLU A 67 3.275 -13.742 4.696 1.00 0.00 C ATOM 1024 CD GLU A 67 2.875 -15.048 4.023 1.00 0.00 C ATOM 1025 OE1 GLU A 67 1.800 -15.089 3.449 1.00 0.00 O ATOM 1026 OE2 GLU A 67 3.648 -15.989 4.096 1.00 0.00 O ATOM 0 H GLU A 67 4.019 -10.561 2.741 1.00 0.00 H new ATOM 0 HA GLU A 67 2.102 -10.947 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.017 -12.657 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.725 -12.575 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.331 -13.772 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.714 -13.615 5.622 1.00 0.00 H new ATOM 1033 N GLY A 68 5.303 -11.392 5.502 1.00 0.00 N ATOM 1034 CA GLY A 68 6.255 -11.465 6.585 1.00 0.00 C ATOM 1035 C GLY A 68 6.078 -10.249 7.476 1.00 0.00 C ATOM 1036 O GLY A 68 6.062 -10.366 8.699 1.00 0.00 O ATOM 0 H GLY A 68 5.713 -11.401 4.568 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.103 -12.379 7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.271 -11.500 6.192 1.00 0.00 H new ATOM 1040 N TRP A 69 5.914 -9.071 6.856 1.00 0.00 N ATOM 1041 CA TRP A 69 5.727 -7.850 7.634 1.00 0.00 C ATOM 1042 C TRP A 69 4.752 -8.125 8.774 1.00 0.00 C ATOM 1043 O TRP A 69 5.072 -7.894 9.931 1.00 0.00 O ATOM 1044 CB TRP A 69 5.194 -6.699 6.753 1.00 0.00 C ATOM 1045 CG TRP A 69 6.304 -5.861 6.189 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.600 -6.234 6.007 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.204 -4.497 5.713 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.295 -5.164 5.464 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.475 -4.073 5.261 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.135 -3.595 5.640 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.673 -2.790 4.746 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.324 -2.309 5.125 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.592 -1.902 4.678 1.00 0.00 C ATOM 0 H TRP A 69 5.908 -8.944 5.844 1.00 0.00 H new ATOM 0 HA TRP A 69 6.693 -7.544 8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.601 -7.112 5.937 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.528 -6.069 7.343 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.017 -7.201 6.245 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.290 -5.181 5.242 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.156 -3.895 5.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.651 -2.485 4.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.490 -1.625 5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.733 -0.907 4.283 1.00 0.00 H new ATOM 1064 N ARG A 70 3.578 -8.653 8.441 1.00 0.00 N ATOM 1065 CA ARG A 70 2.577 -8.960 9.467 1.00 0.00 C ATOM 1066 C ARG A 70 3.149 -9.876 10.542 1.00 0.00 C ATOM 1067 O ARG A 70 2.929 -9.660 11.733 1.00 0.00 O ATOM 1068 CB ARG A 70 1.383 -9.650 8.826 1.00 0.00 C ATOM 1069 CG ARG A 70 0.612 -8.649 7.961 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.494 -9.382 7.212 1.00 0.00 C ATOM 1071 NE ARG A 70 0.089 -10.316 6.255 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.686 -11.102 5.512 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.985 -11.006 5.605 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -0.157 -11.965 4.687 1.00 0.00 N ATOM 0 H ARG A 70 3.296 -8.876 7.486 1.00 0.00 H new ATOM 0 HA ARG A 70 2.274 -8.021 9.929 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.719 -10.489 8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.730 -10.058 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.186 -7.863 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.287 -8.165 7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.128 -9.919 7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.130 -8.665 6.693 1.00 0.00 H new ATOM 0 HE ARG A 70 1.103 -10.367 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.402 -10.330 6.245 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.583 -11.607 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.857 -12.040 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.758 -12.564 4.121 1.00 0.00 H new ATOM 1088 N LYS A 71 3.880 -10.895 10.117 1.00 0.00 N ATOM 1089 CA LYS A 71 4.477 -11.839 11.072 1.00 0.00 C ATOM 1090 C LYS A 71 5.757 -11.260 11.678 1.00 0.00 C ATOM 1091 O LYS A 71 6.355 -11.848 12.578 1.00 0.00 O ATOM 1092 CB LYS A 71 4.778 -13.177 10.372 1.00 0.00 C ATOM 1093 CG LYS A 71 3.535 -14.074 10.387 1.00 0.00 C ATOM 1094 CD LYS A 71 2.400 -13.392 9.623 1.00 0.00 C ATOM 1095 CE LYS A 71 1.246 -14.378 9.440 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.684 -14.739 10.772 1.00 0.00 N ATOM 0 H LYS A 71 4.077 -11.095 9.136 1.00 0.00 H new ATOM 0 HA LYS A 71 3.764 -12.012 11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.092 -12.995 9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.605 -13.680 10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.765 -15.038 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.229 -14.270 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.058 -12.512 10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.756 -13.048 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.471 -13.935 8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.597 -15.273 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.218 -15.241 10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.354 -15.354 11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.523 -13.874 11.327 1.00 0.00 H new ATOM 1110 N ARG A 72 6.174 -10.113 11.159 1.00 0.00 N ATOM 1111 CA ARG A 72 7.395 -9.445 11.618 1.00 0.00 C ATOM 1112 C ARG A 72 7.094 -8.352 12.635 1.00 0.00 C ATOM 1113 O ARG A 72 7.988 -7.603 13.036 1.00 0.00 O ATOM 1114 CB ARG A 72 8.070 -8.834 10.402 1.00 0.00 C ATOM 1115 CG ARG A 72 8.820 -9.922 9.630 1.00 0.00 C ATOM 1116 CD ARG A 72 9.367 -9.349 8.326 1.00 0.00 C ATOM 1117 NE ARG A 72 10.068 -10.387 7.582 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.324 -10.708 7.866 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.948 -10.092 8.831 1.00 0.00 N ATOM 1120 NH2 ARG A 72 11.933 -11.639 7.184 1.00 0.00 N ATOM 0 H ARG A 72 5.683 -9.619 10.414 1.00 0.00 H new ATOM 0 HA ARG A 72 8.039 -10.175 12.108 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.326 -8.364 9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.762 -8.052 10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.637 -10.313 10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.152 -10.757 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.551 -8.947 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.044 -8.522 8.538 1.00 0.00 H new ATOM 0 HE ARG A 72 9.584 -10.876 6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.471 -9.366 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.913 -10.336 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.444 -12.122 6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.898 -11.884 7.404 1.00 0.00 H new ATOM 1134 N GLY A 73 5.850 -8.269 13.057 1.00 0.00 N ATOM 1135 CA GLY A 73 5.463 -7.263 14.044 1.00 0.00 C ATOM 1136 C GLY A 73 5.615 -5.860 13.467 1.00 0.00 C ATOM 1137 O GLY A 73 5.375 -4.867 14.153 1.00 0.00 O ATOM 0 H GLY A 73 5.092 -8.874 12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.430 -7.426 14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.081 -7.364 14.936 1.00 0.00 H new ATOM 1141 N TRP A 74 6.007 -5.816 12.192 1.00 0.00 N ATOM 1142 CA TRP A 74 6.185 -4.575 11.440 1.00 0.00 C ATOM 1143 C TRP A 74 7.436 -3.800 11.817 1.00 0.00 C ATOM 1144 O TRP A 74 7.422 -2.891 12.648 1.00 0.00 O ATOM 1145 CB TRP A 74 4.915 -3.692 11.502 1.00 0.00 C ATOM 1146 CG TRP A 74 3.938 -4.256 10.528 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.656 -5.564 10.396 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.143 -3.567 9.541 1.00 0.00 C ATOM 1149 NE1 TRP A 74 2.798 -5.730 9.337 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.422 -4.525 8.793 1.00 0.00 C ATOM 1151 CE3 TRP A 74 2.992 -2.221 9.220 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.572 -4.154 7.753 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.140 -1.835 8.190 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.421 -2.803 7.446 1.00 0.00 C ATOM 0 H TRP A 74 6.212 -6.653 11.647 1.00 0.00 H new ATOM 0 HA TRP A 74 6.338 -4.874 10.403 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.497 -3.690 12.509 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.153 -2.658 11.253 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.042 -6.356 11.021 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.479 -6.637 8.996 1.00 0.00 H new ATOM 0 HE3 TRP A 74 3.539 -1.472 9.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.036 -4.905 7.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.026 -0.787 7.955 1.00 0.00 H new ATOM 0 HH2 TRP A 74 0.761 -2.496 6.648 1.00 0.00 H new ATOM 1165 N ARG A 75 8.506 -4.171 11.123 1.00 0.00 N ATOM 1166 CA ARG A 75 9.818 -3.547 11.258 1.00 0.00 C ATOM 1167 C ARG A 75 10.451 -3.512 9.872 1.00 0.00 C ATOM 1168 O ARG A 75 9.952 -4.156 8.950 1.00 0.00 O ATOM 1169 CB ARG A 75 10.725 -4.361 12.204 1.00 0.00 C ATOM 1170 CG ARG A 75 10.452 -4.010 13.680 1.00 0.00 C ATOM 1171 CD ARG A 75 9.309 -4.881 14.254 1.00 0.00 C ATOM 1172 NE ARG A 75 8.423 -4.047 15.047 1.00 0.00 N ATOM 1173 CZ ARG A 75 7.676 -4.560 16.023 1.00 0.00 C ATOM 1174 NH1 ARG A 75 7.730 -5.838 16.282 1.00 0.00 N ATOM 1175 NH2 ARG A 75 6.888 -3.785 16.717 1.00 0.00 N ATOM 0 H ARG A 75 8.486 -4.927 10.439 1.00 0.00 H new ATOM 0 HA ARG A 75 9.706 -2.546 11.675 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.558 -5.426 12.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.771 -4.163 11.968 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.358 -4.160 14.267 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.188 -2.956 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.754 -5.353 13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.720 -5.682 14.868 1.00 0.00 H new ATOM 0 HE ARG A 75 8.372 -3.047 14.852 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.344 -6.443 15.737 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.158 -6.232 17.029 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.844 -2.787 16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.316 -4.177 17.465 1.00 0.00 H new ATOM 1189 N THR A 76 11.554 -2.789 9.717 1.00 0.00 N ATOM 1190 CA THR A 76 12.218 -2.736 8.423 1.00 0.00 C ATOM 1191 C THR A 76 13.174 -3.894 8.287 1.00 0.00 C ATOM 1192 O THR A 76 13.446 -4.615 9.247 1.00 0.00 O ATOM 1193 CB THR A 76 12.982 -1.438 8.242 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.016 -1.365 9.204 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.010 -0.273 8.389 1.00 0.00 C ATOM 0 H THR A 76 11.999 -2.243 10.455 1.00 0.00 H new ATOM 0 HA THR A 76 11.447 -2.794 7.654 1.00 0.00 H new ATOM 0 HB THR A 76 13.435 -1.394 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.825 -1.986 9.937 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.547 0.667 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.230 -0.352 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.557 -0.300 9.380 1.00 0.00 H new ATOM 1203 N ALA A 77 13.671 -4.075 7.086 1.00 0.00 N ATOM 1204 CA ALA A 77 14.587 -5.162 6.825 1.00 0.00 C ATOM 1205 C ALA A 77 15.758 -5.126 7.795 1.00 0.00 C ATOM 1206 O ALA A 77 16.497 -6.101 7.921 1.00 0.00 O ATOM 1207 CB ALA A 77 15.084 -5.096 5.375 1.00 0.00 C ATOM 0 H ALA A 77 13.459 -3.489 6.279 1.00 0.00 H new ATOM 0 HA ALA A 77 14.058 -6.104 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.774 -5.919 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.235 -5.173 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.597 -4.149 5.209 1.00 0.00 H new ATOM 1213 N GLU A 78 15.920 -4.004 8.488 1.00 0.00 N ATOM 1214 CA GLU A 78 17.005 -3.870 9.453 1.00 0.00 C ATOM 1215 C GLU A 78 16.557 -4.341 10.831 1.00 0.00 C ATOM 1216 O GLU A 78 17.289 -5.045 11.526 1.00 0.00 O ATOM 1217 CB GLU A 78 17.460 -2.411 9.530 1.00 0.00 C ATOM 1218 CG GLU A 78 18.880 -2.339 10.080 1.00 0.00 C ATOM 1219 CD GLU A 78 19.359 -0.893 10.107 1.00 0.00 C ATOM 1220 OE1 GLU A 78 18.714 -0.064 9.486 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.363 -0.633 10.751 1.00 0.00 O ATOM 0 H GLU A 78 15.321 -3.183 8.401 1.00 0.00 H new ATOM 0 HA GLU A 78 17.838 -4.491 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.420 -1.956 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.784 -1.843 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.910 -2.759 11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.548 -2.940 9.463 1.00 0.00 H new ATOM 1228 N GLY A 79 15.348 -3.945 11.217 1.00 0.00 N ATOM 1229 CA GLY A 79 14.799 -4.327 12.516 1.00 0.00 C ATOM 1230 C GLY A 79 14.219 -3.127 13.246 1.00 0.00 C ATOM 1231 O GLY A 79 13.808 -3.233 14.401 1.00 0.00 O ATOM 0 H GLY A 79 14.731 -3.362 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.024 -5.081 12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.581 -4.782 13.124 1.00 0.00 H new ATOM 1235 N LYS A 80 14.170 -1.984 12.563 1.00 0.00 N ATOM 1236 CA LYS A 80 13.611 -0.766 13.165 1.00 0.00 C ATOM 1237 C LYS A 80 12.178 -0.574 12.655 1.00 0.00 C ATOM 1238 O LYS A 80 11.875 -0.951 11.524 1.00 0.00 O ATOM 1239 CB LYS A 80 14.493 0.465 12.846 1.00 0.00 C ATOM 1240 CG LYS A 80 14.399 0.861 11.349 1.00 0.00 C ATOM 1241 CD LYS A 80 15.810 1.026 10.724 1.00 0.00 C ATOM 1242 CE LYS A 80 15.762 0.859 9.189 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.599 1.911 8.549 1.00 0.00 N ATOM 0 H LYS A 80 14.504 -1.872 11.606 1.00 0.00 H new ATOM 0 HA LYS A 80 13.593 -0.871 14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.183 1.306 13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.530 0.246 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.843 0.099 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.843 1.793 11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.209 2.009 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.489 0.289 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.125 -0.130 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.733 0.933 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.373 1.965 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.405 2.829 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.605 1.674 8.668 1.00 0.00 H new ATOM 1257 N PRO A 81 11.289 -0.030 13.451 1.00 0.00 N ATOM 1258 CA PRO A 81 9.877 0.161 13.034 1.00 0.00 C ATOM 1259 C PRO A 81 9.757 0.590 11.570 1.00 0.00 C ATOM 1260 O PRO A 81 10.713 1.069 10.963 1.00 0.00 O ATOM 1261 CB PRO A 81 9.343 1.245 13.981 1.00 0.00 C ATOM 1262 CG PRO A 81 10.237 1.214 15.198 1.00 0.00 C ATOM 1263 CD PRO A 81 11.524 0.450 14.819 1.00 0.00 C ATOM 0 HA PRO A 81 9.309 -0.767 13.098 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.367 2.225 13.505 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.306 1.048 14.254 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.476 2.227 15.523 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.732 0.723 16.030 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.398 1.100 14.865 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.707 -0.379 15.503 1.00 0.00 H new ATOM 1271 N VAL A 82 8.567 0.385 11.019 1.00 0.00 N ATOM 1272 CA VAL A 82 8.294 0.721 9.616 1.00 0.00 C ATOM 1273 C VAL A 82 7.745 2.141 9.556 1.00 0.00 C ATOM 1274 O VAL A 82 6.912 2.506 10.369 1.00 0.00 O ATOM 1275 CB VAL A 82 7.247 -0.256 9.031 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.450 -0.460 7.525 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.350 -1.605 9.739 1.00 0.00 C ATOM 0 H VAL A 82 7.771 -0.012 11.518 1.00 0.00 H new ATOM 0 HA VAL A 82 9.213 0.644 9.035 1.00 0.00 H new ATOM 0 HB VAL A 82 6.260 0.178 9.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.697 -1.152 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.354 0.497 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.444 -0.870 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.611 -2.291 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.349 -2.017 9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.164 -1.472 10.805 1.00 0.00 H new ATOM 1287 N LYS A 83 8.188 2.936 8.603 1.00 0.00 N ATOM 1288 CA LYS A 83 7.699 4.286 8.489 1.00 0.00 C ATOM 1289 C LYS A 83 6.366 4.276 7.750 1.00 0.00 C ATOM 1290 O LYS A 83 6.146 3.424 6.894 1.00 0.00 O ATOM 1291 CB LYS A 83 8.718 5.118 7.721 1.00 0.00 C ATOM 1292 CG LYS A 83 10.118 4.910 8.314 1.00 0.00 C ATOM 1293 CD LYS A 83 10.117 5.251 9.807 1.00 0.00 C ATOM 1294 CE LYS A 83 11.557 5.402 10.299 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.548 5.751 11.748 1.00 0.00 N ATOM 0 H LYS A 83 8.881 2.669 7.903 1.00 0.00 H new ATOM 0 HA LYS A 83 7.553 4.719 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.714 4.833 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.447 6.173 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.432 3.876 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.839 5.538 7.791 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.564 6.175 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.610 4.467 10.369 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.107 4.474 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.069 6.178 9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.526 5.855 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.037 6.646 11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.074 4.996 12.284 1.00 0.00 H new ATOM 1309 N ASN A 84 5.482 5.215 8.105 1.00 0.00 N ATOM 1310 CA ASN A 84 4.165 5.311 7.480 1.00 0.00 C ATOM 1311 C ASN A 84 3.290 4.129 7.881 1.00 0.00 C ATOM 1312 O ASN A 84 2.206 3.926 7.331 1.00 0.00 O ATOM 1313 CB ASN A 84 4.306 5.367 5.949 1.00 0.00 C ATOM 1314 CG ASN A 84 5.265 6.482 5.553 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.042 7.170 4.557 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.324 6.703 6.279 1.00 0.00 N ATOM 0 H ASN A 84 5.658 5.918 8.823 1.00 0.00 H new ATOM 0 HA ASN A 84 3.688 6.228 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.672 4.411 5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.331 5.536 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.972 7.448 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.505 6.131 7.104 1.00 0.00 H new ATOM 1323 N ARG A 85 3.779 3.345 8.835 1.00 0.00 N ATOM 1324 CA ARG A 85 3.045 2.162 9.306 1.00 0.00 C ATOM 1325 C ARG A 85 1.571 2.475 9.517 1.00 0.00 C ATOM 1326 O ARG A 85 0.717 1.594 9.469 1.00 0.00 O ATOM 1327 CB ARG A 85 3.659 1.629 10.616 1.00 0.00 C ATOM 1328 CG ARG A 85 3.445 2.603 11.807 1.00 0.00 C ATOM 1329 CD ARG A 85 4.602 3.595 11.897 1.00 0.00 C ATOM 1330 NE ARG A 85 4.460 4.439 13.069 1.00 0.00 N ATOM 1331 CZ ARG A 85 4.726 3.974 14.283 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.087 2.729 14.435 1.00 0.00 N ATOM 1333 NH2 ARG A 85 4.626 4.757 15.323 1.00 0.00 N ATOM 0 H ARG A 85 4.674 3.500 9.299 1.00 0.00 H new ATOM 0 HA ARG A 85 3.127 1.395 8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.215 0.663 10.856 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.727 1.463 10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.505 3.141 11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.368 2.039 12.737 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.548 3.056 11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.630 4.212 10.999 1.00 0.00 H new ATOM 0 HE ARG A 85 4.151 5.405 12.958 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.164 2.117 13.622 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.292 2.368 15.366 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.343 5.730 15.204 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.831 4.396 16.255 1.00 0.00 H new ATOM 1347 N ASP A 86 1.290 3.737 9.760 1.00 0.00 N ATOM 1348 CA ASP A 86 -0.072 4.178 9.993 1.00 0.00 C ATOM 1349 C ASP A 86 -0.842 4.234 8.689 1.00 0.00 C ATOM 1350 O ASP A 86 -2.010 3.842 8.624 1.00 0.00 O ATOM 1351 CB ASP A 86 -0.064 5.557 10.652 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.493 6.054 10.836 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.402 5.254 10.691 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.658 7.231 11.115 1.00 0.00 O ATOM 0 H ASP A 86 1.988 4.480 9.802 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.562 3.465 10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.439 5.505 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.498 6.260 10.037 1.00 0.00 H new ATOM 1359 N LEU A 87 -0.180 4.706 7.642 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.820 4.788 6.350 1.00 0.00 C ATOM 1361 C LEU A 87 -1.009 3.389 5.827 1.00 0.00 C ATOM 1362 O LEU A 87 -2.062 3.048 5.298 1.00 0.00 O ATOM 1363 CB LEU A 87 0.035 5.604 5.375 1.00 0.00 C ATOM 1364 CG LEU A 87 0.420 6.954 6.015 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.272 7.795 5.035 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.850 7.729 6.403 1.00 0.00 C ATOM 0 H LEU A 87 0.786 5.032 7.666 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.784 5.287 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.934 5.047 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.516 5.774 4.450 1.00 0.00 H new ATOM 0 HG LEU A 87 1.010 6.760 6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.534 8.744 5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.182 7.250 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.701 7.984 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.571 8.681 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.451 7.912 5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.429 7.144 7.118 1.00 0.00 H new ATOM 1378 N TRP A 88 0.028 2.589 6.008 1.00 0.00 N ATOM 1379 CA TRP A 88 0.024 1.215 5.579 1.00 0.00 C ATOM 1380 C TRP A 88 -1.014 0.393 6.339 1.00 0.00 C ATOM 1381 O TRP A 88 -1.910 -0.190 5.736 1.00 0.00 O ATOM 1382 CB TRP A 88 1.405 0.668 5.866 1.00 0.00 C ATOM 1383 CG TRP A 88 2.364 1.113 4.836 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.376 1.962 5.052 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.425 0.733 3.447 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.057 2.147 3.874 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.505 1.405 2.849 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.648 -0.121 2.654 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.808 1.240 1.507 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.945 -0.296 1.297 1.00 0.00 C ATOM 1391 CH2 TRP A 88 3.025 0.385 0.723 1.00 0.00 C ATOM 0 H TRP A 88 0.895 2.882 6.458 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.229 1.156 4.520 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.737 1.002 6.849 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.372 -0.421 5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.617 2.425 5.997 1.00 0.00 H new ATOM 0 HE1 TRP A 88 4.869 2.756 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.814 -0.648 3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.643 1.767 1.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.341 -0.957 0.693 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.254 0.251 -0.324 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.877 0.332 7.661 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.814 -0.448 8.470 1.00 0.00 C ATOM 1404 C GLU A 89 -3.253 -0.062 8.140 1.00 0.00 C ATOM 1405 O GLU A 89 -4.170 -0.886 8.215 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.565 -0.212 9.966 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.315 -0.968 10.418 1.00 0.00 C ATOM 1408 CD GLU A 89 -0.015 -0.648 11.879 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.784 0.090 12.474 1.00 0.00 O ATOM 1410 OE2 GLU A 89 0.981 -1.142 12.382 1.00 0.00 O ATOM 0 H GLU A 89 -0.142 0.803 8.188 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.657 -1.502 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.444 0.854 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.428 -0.544 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.464 -2.041 10.295 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.534 -0.690 9.794 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.435 1.192 7.754 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.764 1.690 7.397 1.00 0.00 C ATOM 1419 C ALA A 90 -5.112 1.248 5.987 1.00 0.00 C ATOM 1420 O ALA A 90 -6.223 0.789 5.719 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.806 3.216 7.495 1.00 0.00 C ATOM 0 H ALA A 90 -2.688 1.883 7.679 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.495 1.279 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.801 3.571 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.575 3.522 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.072 3.645 6.813 1.00 0.00 H new ATOM 1427 N LEU A 91 -4.140 1.359 5.101 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.312 0.944 3.734 1.00 0.00 C ATOM 1429 C LEU A 91 -4.530 -0.576 3.693 1.00 0.00 C ATOM 1430 O LEU A 91 -5.339 -1.073 2.918 1.00 0.00 O ATOM 1431 CB LEU A 91 -3.076 1.431 2.927 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.670 0.432 1.842 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.822 1.146 0.772 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.866 -0.758 2.448 1.00 0.00 C ATOM 0 H LEU A 91 -3.217 1.738 5.313 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.195 1.387 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.299 2.394 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.238 1.588 3.607 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.576 0.033 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.534 0.432 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.405 1.950 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.927 1.561 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.590 -1.453 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.964 -0.380 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.481 -1.275 3.185 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.825 -1.299 4.555 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.957 -2.754 4.630 1.00 0.00 C ATOM 1448 C LEU A 92 -5.377 -3.125 5.035 1.00 0.00 C ATOM 1449 O LEU A 92 -5.979 -4.034 4.467 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.955 -3.319 5.652 1.00 0.00 C ATOM 1451 CG LEU A 92 -3.018 -4.868 5.686 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.301 -5.455 4.467 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -2.357 -5.405 6.969 1.00 0.00 C ATOM 0 H LEU A 92 -3.154 -0.903 5.214 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.744 -3.182 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.946 -2.997 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.174 -2.920 6.642 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.066 -5.166 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.353 -6.543 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.782 -5.099 3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.257 -5.141 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.410 -6.494 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.313 -5.092 6.999 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.879 -5.010 7.840 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.909 -2.404 6.007 1.00 0.00 N ATOM 1466 CA LEU A 93 -7.269 -2.656 6.463 1.00 0.00 C ATOM 1467 C LEU A 93 -8.243 -2.333 5.342 1.00 0.00 C ATOM 1468 O LEU A 93 -9.264 -2.999 5.162 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.576 -1.796 7.694 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.980 -2.444 8.961 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.732 -1.368 10.019 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.959 -3.474 9.527 1.00 0.00 C ATOM 0 H LEU A 93 -5.428 -1.647 6.492 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.372 -3.706 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.163 -0.796 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.654 -1.683 7.808 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.042 -2.933 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.311 -1.827 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.034 -0.628 9.628 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.674 -0.881 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.533 -3.928 10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.898 -2.982 9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.145 -4.247 8.781 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.905 -1.296 4.600 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.732 -0.850 3.478 1.00 0.00 C ATOM 1486 C ALA A 94 -8.488 -1.705 2.232 1.00 0.00 C ATOM 1487 O ALA A 94 -9.268 -1.655 1.279 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.440 0.617 3.160 1.00 0.00 C ATOM 0 H ALA A 94 -7.063 -0.741 4.749 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.777 -0.960 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.061 0.939 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.662 1.230 4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.389 0.730 2.896 1.00 0.00 H new ATOM 1494 N MET A 95 -7.410 -2.494 2.238 1.00 0.00 N ATOM 1495 CA MET A 95 -7.092 -3.361 1.088 1.00 0.00 C ATOM 1496 C MET A 95 -7.606 -4.767 1.299 1.00 0.00 C ATOM 1497 O MET A 95 -7.411 -5.647 0.462 1.00 0.00 O ATOM 1498 CB MET A 95 -5.581 -3.412 0.837 1.00 0.00 C ATOM 1499 CG MET A 95 -5.143 -2.134 0.130 1.00 0.00 C ATOM 1500 SD MET A 95 -3.326 -2.049 -0.009 1.00 0.00 S ATOM 1501 CE MET A 95 -2.956 -3.741 -0.519 1.00 0.00 C ATOM 0 H MET A 95 -6.748 -2.554 3.012 1.00 0.00 H new ATOM 0 HA MET A 95 -7.587 -2.929 0.218 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.048 -3.520 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.331 -4.281 0.229 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.589 -2.094 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.510 -1.267 0.679 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.906 -3.814 -0.801 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.158 -4.423 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 95 -3.581 -4.009 -1.371 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.264 -4.972 2.410 1.00 0.00 N ATOM 1512 CA ALA A 96 -8.812 -6.291 2.720 1.00 0.00 C ATOM 1513 C ALA A 96 -10.141 -6.492 1.978 1.00 0.00 C ATOM 1514 O ALA A 96 -10.306 -7.487 1.273 1.00 0.00 O ATOM 1515 CB ALA A 96 -8.972 -6.476 4.251 1.00 0.00 C ATOM 0 H ALA A 96 -8.439 -4.258 3.117 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.115 -7.056 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.381 -7.465 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.999 -6.378 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.648 -5.715 4.641 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.085 -5.583 2.109 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.404 -5.702 1.413 1.00 0.00 C ATOM 1523 C PRO A 97 -12.267 -5.611 -0.112 1.00 0.00 C ATOM 1524 O PRO A 97 -13.033 -6.229 -0.850 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.222 -4.509 1.958 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.507 -4.090 3.198 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.033 -4.352 2.916 1.00 0.00 C ATOM 0 HA PRO A 97 -12.873 -6.668 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.266 -3.696 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.250 -4.800 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.685 -3.037 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.850 -4.659 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.570 -3.528 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.461 -4.490 3.834 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.305 -4.807 -0.571 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.096 -4.604 -2.005 1.00 0.00 C ATOM 1537 C HIS A 98 -10.113 -5.604 -2.595 1.00 0.00 C ATOM 1538 O HIS A 98 -9.378 -6.284 -1.880 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.583 -3.187 -2.229 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.483 -2.233 -1.496 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.648 -2.657 -0.876 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -11.414 -0.880 -1.278 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -13.228 -1.579 -0.319 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -12.517 -0.469 -0.534 1.00 0.00 N ATOM 0 H HIS A 98 -10.662 -4.288 0.027 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.050 -4.756 -2.510 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.558 -3.094 -1.869 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.569 -2.953 -3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.624 -0.232 -1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.155 -1.607 0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -12.735 0.477 -0.220 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.111 -5.668 -3.927 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.217 -6.571 -4.666 1.00 0.00 C ATOM 1554 C ARG A 99 -8.013 -5.798 -5.169 1.00 0.00 C ATOM 1555 O ARG A 99 -7.119 -6.364 -5.797 1.00 0.00 O ATOM 1556 CB ARG A 99 -9.974 -7.226 -5.845 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.488 -8.615 -5.446 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.502 -8.488 -4.310 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.029 -9.807 -3.970 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.505 -10.073 -2.758 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -12.510 -9.145 -1.840 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -12.970 -11.262 -2.488 1.00 0.00 N ATOM 0 H ARG A 99 -10.719 -5.105 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.874 -7.362 -3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.810 -6.594 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.313 -7.310 -6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.950 -9.102 -6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.655 -9.244 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.030 -8.038 -3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.316 -7.827 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.032 -10.541 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.149 -8.215 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.875 -9.350 -0.910 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.968 -11.986 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.336 -11.468 -1.558 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.014 -4.511 -4.848 1.00 0.00 N ATOM 1577 CA VAL A 100 -6.934 -3.579 -5.205 1.00 0.00 C ATOM 1578 C VAL A 100 -5.784 -4.253 -5.962 1.00 0.00 C ATOM 1579 O VAL A 100 -5.078 -5.099 -5.420 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.383 -2.993 -3.913 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -5.730 -4.131 -3.091 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.348 -1.909 -4.244 1.00 0.00 C ATOM 0 H VAL A 100 -8.772 -4.072 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.351 -2.819 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.185 -2.541 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.330 -3.725 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.478 -4.891 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.921 -4.579 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.953 -1.489 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.533 -2.348 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.822 -1.120 -4.828 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.611 -3.879 -7.217 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.555 -4.451 -8.046 1.00 0.00 C ATOM 1594 C ARG A 101 -3.323 -3.542 -8.053 1.00 0.00 C ATOM 1595 O ARG A 101 -3.446 -2.320 -7.965 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.092 -4.601 -9.460 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.137 -5.712 -9.505 1.00 0.00 C ATOM 1598 CD ARG A 101 -6.884 -5.623 -10.833 1.00 0.00 C ATOM 1599 NE ARG A 101 -7.848 -6.710 -10.948 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.465 -7.923 -11.329 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.206 -8.159 -11.574 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.347 -8.876 -11.449 1.00 0.00 N ATOM 0 H ARG A 101 -6.187 -3.181 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.258 -5.420 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.533 -3.661 -9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.276 -4.830 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.658 -6.686 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.833 -5.611 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.397 -4.664 -10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.175 -5.668 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.830 -6.537 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.518 -7.413 -11.473 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.909 -9.090 -11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.330 -8.689 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.054 -9.808 -11.742 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.137 -4.145 -8.172 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.878 -3.384 -8.203 1.00 0.00 C ATOM 1618 C PHE A 102 -0.271 -3.427 -9.608 1.00 0.00 C ATOM 1619 O PHE A 102 -0.080 -4.502 -10.178 1.00 0.00 O ATOM 1620 CB PHE A 102 0.125 -3.982 -7.201 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.118 -3.444 -5.799 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.370 -3.602 -5.188 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.920 -2.803 -5.100 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.581 -3.122 -3.888 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.707 -2.330 -3.803 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.540 -2.488 -3.197 1.00 0.00 C ATOM 0 H PHE A 102 -2.019 -5.155 -8.249 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.091 -2.350 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.037 -5.068 -7.198 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.142 -3.745 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.172 -4.094 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.885 -2.676 -5.567 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.546 -3.241 -3.419 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.508 -1.841 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.703 -2.121 -2.194 1.00 0.00 H new ATOM 1636 N HIS A 103 0.038 -2.251 -10.154 1.00 0.00 N ATOM 1637 CA HIS A 103 0.636 -2.152 -11.491 1.00 0.00 C ATOM 1638 C HIS A 103 1.803 -1.166 -11.482 1.00 0.00 C ATOM 1639 O HIS A 103 1.621 0.021 -11.736 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.427 -1.682 -12.504 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.132 -2.868 -13.112 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -0.706 -3.446 -14.297 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.227 -3.595 -12.713 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.531 -4.474 -14.567 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.476 -4.609 -13.634 1.00 0.00 N ATOM 0 H HIS A 103 -0.114 -1.353 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 103 1.007 -3.135 -11.780 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.151 -1.035 -12.008 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.045 -1.090 -13.288 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.806 -3.408 -11.821 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.440 -5.112 -15.433 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.221 -5.305 -13.603 1.00 0.00 H new ATOM 1653 N PHE A 104 3.002 -1.649 -11.208 1.00 0.00 N ATOM 1654 CA PHE A 104 4.149 -0.767 -11.192 1.00 0.00 C ATOM 1655 C PHE A 104 4.428 -0.268 -12.609 1.00 0.00 C ATOM 1656 O PHE A 104 5.051 -0.958 -13.415 1.00 0.00 O ATOM 1657 CB PHE A 104 5.378 -1.491 -10.609 1.00 0.00 C ATOM 1658 CG PHE A 104 4.928 -2.659 -9.760 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.536 -2.448 -8.432 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.901 -3.951 -10.301 1.00 0.00 C ATOM 1661 CE1 PHE A 104 4.120 -3.527 -7.644 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.482 -5.030 -9.513 1.00 0.00 C ATOM 1663 CZ PHE A 104 4.094 -4.819 -8.184 1.00 0.00 C ATOM 0 H PHE A 104 3.202 -2.627 -10.998 1.00 0.00 H new ATOM 0 HA PHE A 104 3.935 0.091 -10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.021 -1.842 -11.416 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.969 -0.799 -10.009 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.555 -1.452 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.203 -4.115 -11.325 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.819 -3.363 -6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.458 -6.026 -9.930 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.775 -5.652 -7.576 1.00 0.00 H new ATOM 1673 N VAL A 105 3.945 0.938 -12.897 1.00 0.00 N ATOM 1674 CA VAL A 105 4.114 1.549 -14.199 1.00 0.00 C ATOM 1675 C VAL A 105 5.333 2.461 -14.182 1.00 0.00 C ATOM 1676 O VAL A 105 5.221 3.681 -14.122 1.00 0.00 O ATOM 1677 CB VAL A 105 2.837 2.341 -14.536 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.080 3.305 -15.713 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.720 1.351 -14.900 1.00 0.00 C ATOM 0 H VAL A 105 3.428 1.512 -12.232 1.00 0.00 H new ATOM 0 HA VAL A 105 4.274 0.787 -14.961 1.00 0.00 H new ATOM 0 HB VAL A 105 2.548 2.933 -13.667 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.163 3.852 -15.931 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.869 4.010 -15.449 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.381 2.736 -16.593 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.810 1.901 -15.141 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.025 0.759 -15.763 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.531 0.689 -14.055 1.00 0.00 H new ATOM 1689 N LYS A 106 6.501 1.845 -14.253 1.00 0.00 N ATOM 1690 CA LYS A 106 7.765 2.582 -14.265 1.00 0.00 C ATOM 1691 C LYS A 106 8.400 2.509 -15.651 1.00 0.00 C ATOM 1692 O LYS A 106 9.612 2.399 -15.720 1.00 0.00 O ATOM 1693 CB LYS A 106 8.732 1.986 -13.243 1.00 0.00 C ATOM 1694 CG LYS A 106 8.190 2.188 -11.830 1.00 0.00 C ATOM 1695 CD LYS A 106 9.171 1.586 -10.823 1.00 0.00 C ATOM 1696 CE LYS A 106 8.658 1.829 -9.402 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.610 1.233 -8.423 1.00 0.00 N ATOM 0 H LYS A 106 6.606 0.832 -14.304 1.00 0.00 H new ATOM 0 HA LYS A 106 7.561 3.622 -14.010 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.871 0.923 -13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.710 2.458 -13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.051 3.250 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.213 1.715 -11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.283 0.517 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.157 2.035 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.553 2.898 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.669 1.387 -9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.119 1.058 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.976 0.335 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.401 1.890 -8.264 1.00 0.00 H new