USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 711 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 41 CYS SG : rot 157:sc= -4.64! USER MOD Set 1.2: A 51 THR OG1 : rot 86:sc= 1.12 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 55:sc= 0.769 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -114:sc= 0.145 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -102:sc= 0.555 USER MOD Single : A 21 GLN : amide:sc=-0.000417 X(o=-0.00042,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0771 USER MOD Single : A 28 SER OG : rot 23:sc= 0.213 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 34 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.4) USER MOD Single : A 42 SER OG : rot 86:sc= 0.037 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -149:sc= -1.57! USER MOD Single : A 50 HIS : no HD1:sc= -1.96 K(o=-2,f=-1.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00631 X(o=-0.0063,f=0) USER MOD Single : A 59 SER OG : rot 170:sc= -0.0152 USER MOD Single : A 60 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= -0.164 (180deg=-1.16) USER MOD Single : A 68 SER OG : rot 170:sc= 0.00633 USER MOD Single : A 70 ASN : amide:sc= -0.0669 X(o=-0.067,f=-0.3) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 80 MET CE :methyl -134:sc= -0.654 (180deg=-2.45!) USER MOD Single : A 83 ASN : amide:sc= -1.67! C(o=-1.7!,f=-5.6!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.266 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.915 -14.276 1.797 1.00 0.00 N ATOM 2 CA GLY A 1 19.375 -15.432 1.046 1.00 0.00 C ATOM 3 C GLY A 1 18.197 -16.191 0.433 1.00 0.00 C ATOM 4 O GLY A 1 17.580 -15.721 -0.521 1.00 0.00 O ATOM 0 H1 GLY A 1 19.733 -13.778 2.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.398 -13.634 1.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.285 -14.588 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.055 -15.111 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.938 -16.096 1.702 1.00 0.00 H new ATOM 8 N SER A 2 17.920 -17.353 1.006 1.00 0.00 N ATOM 9 CA SER A 2 16.827 -18.182 0.528 1.00 0.00 C ATOM 10 C SER A 2 17.051 -18.548 -0.941 1.00 0.00 C ATOM 11 O SER A 2 17.944 -18.005 -1.590 1.00 0.00 O ATOM 12 CB SER A 2 15.482 -17.473 0.699 1.00 0.00 C ATOM 13 OG SER A 2 14.745 -17.986 1.806 1.00 0.00 O ATOM 0 H SER A 2 18.434 -17.740 1.797 1.00 0.00 H new ATOM 0 HA SER A 2 16.804 -19.094 1.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.650 -16.405 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.894 -17.586 -0.212 1.00 0.00 H new ATOM 0 HG SER A 2 13.894 -17.507 1.883 1.00 0.00 H new ATOM 19 N SER A 3 16.225 -19.465 -1.422 1.00 0.00 N ATOM 20 CA SER A 3 16.322 -19.910 -2.802 1.00 0.00 C ATOM 21 C SER A 3 15.219 -20.926 -3.103 1.00 0.00 C ATOM 22 O SER A 3 14.633 -21.502 -2.187 1.00 0.00 O ATOM 23 CB SER A 3 17.696 -20.517 -3.090 1.00 0.00 C ATOM 24 OG SER A 3 18.564 -19.592 -3.739 1.00 0.00 O ATOM 0 H SER A 3 15.485 -19.912 -0.881 1.00 0.00 H new ATOM 0 HA SER A 3 16.195 -19.043 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.150 -20.845 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.577 -21.402 -3.715 1.00 0.00 H new ATOM 0 HG SER A 3 18.632 -18.775 -3.202 1.00 0.00 H new ATOM 30 N GLY A 4 14.968 -21.116 -4.390 1.00 0.00 N ATOM 31 CA GLY A 4 13.946 -22.053 -4.823 1.00 0.00 C ATOM 32 C GLY A 4 12.893 -21.354 -5.687 1.00 0.00 C ATOM 33 O GLY A 4 13.224 -20.497 -6.504 1.00 0.00 O ATOM 0 H GLY A 4 15.455 -20.637 -5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.406 -22.863 -5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.468 -22.503 -3.953 1.00 0.00 H new ATOM 37 N SER A 5 11.645 -21.748 -5.476 1.00 0.00 N ATOM 38 CA SER A 5 10.542 -21.171 -6.225 1.00 0.00 C ATOM 39 C SER A 5 9.901 -20.038 -5.421 1.00 0.00 C ATOM 40 O SER A 5 9.399 -20.259 -4.320 1.00 0.00 O ATOM 41 CB SER A 5 9.497 -22.233 -6.572 1.00 0.00 C ATOM 42 OG SER A 5 9.237 -22.288 -7.972 1.00 0.00 O ATOM 0 H SER A 5 11.374 -22.460 -4.797 1.00 0.00 H new ATOM 0 HA SER A 5 10.935 -20.769 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.843 -23.208 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.571 -22.018 -6.039 1.00 0.00 H new ATOM 0 HG SER A 5 8.566 -22.979 -8.153 1.00 0.00 H new ATOM 48 N SER A 6 9.937 -18.848 -6.004 1.00 0.00 N ATOM 49 CA SER A 6 9.366 -17.680 -5.356 1.00 0.00 C ATOM 50 C SER A 6 7.942 -17.443 -5.864 1.00 0.00 C ATOM 51 O SER A 6 7.641 -17.716 -7.025 1.00 0.00 O ATOM 52 CB SER A 6 10.228 -16.439 -5.596 1.00 0.00 C ATOM 53 OG SER A 6 11.582 -16.646 -5.203 1.00 0.00 O ATOM 0 H SER A 6 10.353 -18.668 -6.918 1.00 0.00 H new ATOM 0 HA SER A 6 9.336 -17.866 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.194 -16.172 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.814 -15.597 -5.041 1.00 0.00 H new ATOM 0 HG SER A 6 12.100 -15.832 -5.373 1.00 0.00 H new ATOM 59 N GLY A 7 7.105 -16.939 -4.970 1.00 0.00 N ATOM 60 CA GLY A 7 5.720 -16.663 -5.314 1.00 0.00 C ATOM 61 C GLY A 7 4.848 -17.904 -5.117 1.00 0.00 C ATOM 62 O GLY A 7 5.323 -19.030 -5.262 1.00 0.00 O ATOM 0 H GLY A 7 7.359 -16.714 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.344 -15.848 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.658 -16.332 -6.351 1.00 0.00 H new ATOM 66 N GLU A 8 3.588 -17.657 -4.789 1.00 0.00 N ATOM 67 CA GLU A 8 2.646 -18.741 -4.571 1.00 0.00 C ATOM 68 C GLU A 8 1.215 -18.259 -4.821 1.00 0.00 C ATOM 69 O GLU A 8 0.561 -18.707 -5.761 1.00 0.00 O ATOM 70 CB GLU A 8 2.791 -19.319 -3.161 1.00 0.00 C ATOM 71 CG GLU A 8 1.841 -20.500 -2.952 1.00 0.00 C ATOM 72 CD GLU A 8 1.353 -20.561 -1.503 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.165 -20.976 -0.648 1.00 0.00 O ATOM 74 OE2 GLU A 8 0.179 -20.191 -1.284 1.00 0.00 O ATOM 0 H GLU A 8 3.198 -16.722 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 8 2.870 -19.538 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.820 -19.642 -3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.582 -18.544 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.987 -20.408 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.349 -21.430 -3.208 1.00 0.00 H new ATOM 81 N LYS A 9 0.772 -17.353 -3.963 1.00 0.00 N ATOM 82 CA LYS A 9 -0.569 -16.805 -4.079 1.00 0.00 C ATOM 83 C LYS A 9 -0.517 -15.291 -3.866 1.00 0.00 C ATOM 84 O LYS A 9 -1.214 -14.757 -3.004 1.00 0.00 O ATOM 85 CB LYS A 9 -1.527 -17.527 -3.129 1.00 0.00 C ATOM 86 CG LYS A 9 -1.738 -18.979 -3.563 1.00 0.00 C ATOM 87 CD LYS A 9 -2.626 -19.056 -4.807 1.00 0.00 C ATOM 88 CE LYS A 9 -2.855 -20.510 -5.227 1.00 0.00 C ATOM 89 NZ LYS A 9 -1.678 -21.029 -5.959 1.00 0.00 N ATOM 0 H LYS A 9 1.318 -16.984 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.964 -16.973 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.128 -17.501 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.485 -17.007 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.774 -19.444 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.195 -19.543 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.584 -18.577 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.161 -18.506 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.043 -21.124 -4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.742 -20.577 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.941 -21.223 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.916 -20.322 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.349 -21.907 -5.509 1.00 0.00 H new ATOM 103 N THR A 10 0.315 -14.641 -4.666 1.00 0.00 N ATOM 104 CA THR A 10 0.467 -13.199 -4.576 1.00 0.00 C ATOM 105 C THR A 10 0.330 -12.560 -5.960 1.00 0.00 C ATOM 106 O THR A 10 0.626 -13.194 -6.972 1.00 0.00 O ATOM 107 CB THR A 10 1.809 -12.906 -3.902 1.00 0.00 C ATOM 108 OG1 THR A 10 2.682 -13.906 -4.419 1.00 0.00 O ATOM 109 CG2 THR A 10 1.780 -13.177 -2.397 1.00 0.00 C ATOM 0 H THR A 10 0.891 -15.087 -5.380 1.00 0.00 H new ATOM 0 HA THR A 10 -0.322 -12.756 -3.969 1.00 0.00 H new ATOM 0 HB THR A 10 2.084 -11.866 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.576 -13.790 -4.035 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.757 -12.953 -1.968 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.025 -12.546 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.538 -14.225 -2.221 1.00 0.00 H new ATOM 117 N VAL A 11 -0.119 -11.314 -5.960 1.00 0.00 N ATOM 118 CA VAL A 11 -0.299 -10.583 -7.202 1.00 0.00 C ATOM 119 C VAL A 11 0.712 -9.436 -7.266 1.00 0.00 C ATOM 120 O VAL A 11 1.201 -8.978 -6.235 1.00 0.00 O ATOM 121 CB VAL A 11 -1.749 -10.109 -7.326 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.710 -11.298 -7.395 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.119 -9.172 -6.175 1.00 0.00 C ATOM 0 H VAL A 11 -0.364 -10.792 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.109 -11.232 -8.057 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.841 -9.549 -8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.734 -10.934 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.468 -11.912 -8.262 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.614 -11.896 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.154 -8.850 -6.287 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.003 -9.697 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.464 -8.301 -6.190 1.00 0.00 H new ATOM 133 N ARG A 12 0.995 -9.006 -8.486 1.00 0.00 N ATOM 134 CA ARG A 12 1.939 -7.922 -8.698 1.00 0.00 C ATOM 135 C ARG A 12 1.236 -6.571 -8.555 1.00 0.00 C ATOM 136 O ARG A 12 0.251 -6.304 -9.242 1.00 0.00 O ATOM 137 CB ARG A 12 2.580 -8.012 -10.084 1.00 0.00 C ATOM 138 CG ARG A 12 1.626 -7.498 -11.164 1.00 0.00 C ATOM 139 CD ARG A 12 2.162 -7.807 -12.563 1.00 0.00 C ATOM 140 NE ARG A 12 1.043 -8.139 -13.472 1.00 0.00 N ATOM 141 CZ ARG A 12 0.336 -9.276 -13.411 1.00 0.00 C ATOM 142 NH1 ARG A 12 0.629 -10.197 -12.484 1.00 0.00 N ATOM 143 NH2 ARG A 12 -0.663 -9.491 -14.278 1.00 0.00 N ATOM 0 H ARG A 12 0.587 -9.389 -9.339 1.00 0.00 H new ATOM 0 HA ARG A 12 2.720 -8.011 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.501 -7.430 -10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.852 -9.046 -10.296 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.646 -7.958 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.491 -6.422 -11.052 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.712 -6.948 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.863 -8.640 -12.517 1.00 0.00 H new ATOM 0 HE ARG A 12 0.794 -7.460 -14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.390 -10.033 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.091 -11.062 -12.437 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.885 -8.789 -14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.201 -10.356 -14.232 1.00 0.00 H new ATOM 157 N VAL A 13 1.770 -5.754 -7.659 1.00 0.00 N ATOM 158 CA VAL A 13 1.206 -4.437 -7.418 1.00 0.00 C ATOM 159 C VAL A 13 2.260 -3.371 -7.724 1.00 0.00 C ATOM 160 O VAL A 13 3.444 -3.570 -7.457 1.00 0.00 O ATOM 161 CB VAL A 13 0.668 -4.352 -5.988 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.256 -2.919 -5.641 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.497 -5.322 -5.781 1.00 0.00 C ATOM 0 H VAL A 13 2.587 -5.979 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 13 0.360 -4.257 -8.081 1.00 0.00 H new ATOM 0 HB VAL A 13 1.471 -4.644 -5.311 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.123 -2.887 -4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.120 -2.261 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.523 -2.588 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.860 -5.241 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.303 -5.076 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.159 -6.342 -5.967 1.00 0.00 H new ATOM 173 N VAL A 14 1.791 -2.263 -8.280 1.00 0.00 N ATOM 174 CA VAL A 14 2.679 -1.166 -8.625 1.00 0.00 C ATOM 175 C VAL A 14 2.790 -0.211 -7.435 1.00 0.00 C ATOM 176 O VAL A 14 1.822 0.460 -7.081 1.00 0.00 O ATOM 177 CB VAL A 14 2.188 -0.478 -9.901 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.878 0.874 -10.094 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.391 -1.376 -11.122 1.00 0.00 C ATOM 0 H VAL A 14 0.808 -2.102 -8.500 1.00 0.00 H new ATOM 0 HA VAL A 14 3.681 -1.538 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 14 1.119 -0.297 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.512 1.342 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.659 1.519 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.955 0.725 -10.169 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.034 -0.863 -12.015 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.451 -1.603 -11.234 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.833 -2.303 -10.989 1.00 0.00 H new ATOM 189 N ILE A 15 3.978 -0.181 -6.850 1.00 0.00 N ATOM 190 CA ILE A 15 4.228 0.680 -5.707 1.00 0.00 C ATOM 191 C ILE A 15 4.850 1.993 -6.189 1.00 0.00 C ATOM 192 O ILE A 15 6.049 2.055 -6.455 1.00 0.00 O ATOM 193 CB ILE A 15 5.070 -0.051 -4.659 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.392 -1.350 -4.220 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.382 0.863 -3.472 1.00 0.00 C ATOM 196 CD1 ILE A 15 3.158 -1.062 -3.363 1.00 0.00 C ATOM 0 H ILE A 15 4.778 -0.739 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 15 3.292 0.934 -5.210 1.00 0.00 H new ATOM 0 HB ILE A 15 6.022 -0.323 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.103 -1.928 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.097 -1.960 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.981 0.319 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.937 1.735 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.451 1.187 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.695 -2.002 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.454 -0.505 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.444 -0.473 -3.939 1.00 0.00 H new ATOM 208 N ASN A 16 4.006 3.009 -6.287 1.00 0.00 N ATOM 209 CA ASN A 16 4.457 4.316 -6.732 1.00 0.00 C ATOM 210 C ASN A 16 4.892 5.142 -5.519 1.00 0.00 C ATOM 211 O ASN A 16 4.119 5.325 -4.580 1.00 0.00 O ATOM 212 CB ASN A 16 3.334 5.075 -7.442 1.00 0.00 C ATOM 213 CG ASN A 16 3.107 4.525 -8.852 1.00 0.00 C ATOM 214 OD1 ASN A 16 4.004 4.469 -9.676 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.860 4.124 -9.081 1.00 0.00 N ATOM 0 H ASN A 16 3.012 2.953 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 16 5.286 4.168 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.414 4.994 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.584 6.134 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.606 3.741 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.157 4.199 -8.346 1.00 0.00 H new ATOM 222 N PHE A 17 6.127 5.617 -5.579 1.00 0.00 N ATOM 223 CA PHE A 17 6.674 6.418 -4.497 1.00 0.00 C ATOM 224 C PHE A 17 7.600 7.510 -5.037 1.00 0.00 C ATOM 225 O PHE A 17 8.129 7.390 -6.141 1.00 0.00 O ATOM 226 CB PHE A 17 7.483 5.474 -3.606 1.00 0.00 C ATOM 227 CG PHE A 17 8.828 5.055 -4.203 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.939 5.802 -3.965 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.912 3.936 -4.971 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.188 5.413 -4.519 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.160 3.547 -5.525 1.00 0.00 C ATOM 232 CZ PHE A 17 11.272 4.294 -5.287 1.00 0.00 C ATOM 0 H PHE A 17 6.765 5.463 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 17 5.867 6.903 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.659 5.959 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.891 4.581 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.872 6.691 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.029 3.343 -5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.071 6.006 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.227 2.658 -6.135 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.222 3.998 -5.708 1.00 0.00 H new ATOM 242 N LYS A 18 7.768 8.549 -4.233 1.00 0.00 N ATOM 243 CA LYS A 18 8.622 9.661 -4.617 1.00 0.00 C ATOM 244 C LYS A 18 8.020 10.364 -5.835 1.00 0.00 C ATOM 245 O LYS A 18 8.682 11.179 -6.476 1.00 0.00 O ATOM 246 CB LYS A 18 10.060 9.184 -4.830 1.00 0.00 C ATOM 247 CG LYS A 18 10.905 9.411 -3.574 1.00 0.00 C ATOM 248 CD LYS A 18 12.336 9.807 -3.941 1.00 0.00 C ATOM 249 CE LYS A 18 13.332 9.288 -2.902 1.00 0.00 C ATOM 250 NZ LYS A 18 14.565 10.106 -2.911 1.00 0.00 N ATOM 0 H LYS A 18 7.328 8.645 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 18 8.671 10.398 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.061 8.125 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.503 9.717 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.453 10.192 -2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.918 8.503 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.588 9.406 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.410 10.892 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.879 9.314 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.578 8.247 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.230 9.740 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.005 10.060 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.328 11.094 -2.687 1.00 0.00 H new ATOM 264 N LYS A 19 6.771 10.023 -6.118 1.00 0.00 N ATOM 265 CA LYS A 19 6.073 10.611 -7.249 1.00 0.00 C ATOM 266 C LYS A 19 7.001 10.624 -8.465 1.00 0.00 C ATOM 267 O LYS A 19 6.911 11.514 -9.309 1.00 0.00 O ATOM 268 CB LYS A 19 5.523 11.990 -6.880 1.00 0.00 C ATOM 269 CG LYS A 19 4.267 11.866 -6.015 1.00 0.00 C ATOM 270 CD LYS A 19 3.477 13.176 -6.004 1.00 0.00 C ATOM 271 CE LYS A 19 3.845 14.029 -4.789 1.00 0.00 C ATOM 272 NZ LYS A 19 3.172 15.345 -4.856 1.00 0.00 N ATOM 0 H LYS A 19 6.225 9.347 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 19 5.205 10.008 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.284 12.557 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.290 12.547 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.638 11.061 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.548 11.598 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.678 13.734 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.409 12.960 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.556 13.512 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.925 14.168 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.433 15.911 -4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.468 15.843 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.141 15.207 -4.872 1.00 0.00 H new ATOM 286 N THR A 20 7.871 9.626 -8.516 1.00 0.00 N ATOM 287 CA THR A 20 8.815 9.512 -9.615 1.00 0.00 C ATOM 288 C THR A 20 9.245 8.056 -9.799 1.00 0.00 C ATOM 289 O THR A 20 9.192 7.524 -10.907 1.00 0.00 O ATOM 290 CB THR A 20 9.983 10.460 -9.337 1.00 0.00 C ATOM 291 OG1 THR A 20 10.312 10.214 -7.972 1.00 0.00 O ATOM 292 CG2 THR A 20 9.561 11.931 -9.359 1.00 0.00 C ATOM 0 H THR A 20 7.942 8.889 -7.814 1.00 0.00 H new ATOM 0 HA THR A 20 8.358 9.806 -10.560 1.00 0.00 H new ATOM 0 HB THR A 20 10.767 10.296 -10.076 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.950 10.933 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.427 12.561 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.154 12.178 -10.340 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.801 12.103 -8.597 1.00 0.00 H new ATOM 300 N GLN A 21 9.662 7.451 -8.696 1.00 0.00 N ATOM 301 CA GLN A 21 10.102 6.067 -8.722 1.00 0.00 C ATOM 302 C GLN A 21 8.944 5.136 -8.356 1.00 0.00 C ATOM 303 O GLN A 21 8.011 5.541 -7.664 1.00 0.00 O ATOM 304 CB GLN A 21 11.294 5.853 -7.787 1.00 0.00 C ATOM 305 CG GLN A 21 12.570 6.454 -8.380 1.00 0.00 C ATOM 306 CD GLN A 21 13.785 6.129 -7.508 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.999 6.708 -6.455 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.567 5.174 -8.003 1.00 0.00 N ATOM 0 H GLN A 21 9.704 7.895 -7.779 1.00 0.00 H new ATOM 0 HA GLN A 21 10.429 5.829 -9.734 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.088 6.310 -6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.437 4.787 -7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.726 6.066 -9.386 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.460 7.535 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.330 4.730 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.403 4.886 -7.495 1.00 0.00 H new ATOM 317 N LYS A 22 9.042 3.905 -8.837 1.00 0.00 N ATOM 318 CA LYS A 22 8.015 2.913 -8.569 1.00 0.00 C ATOM 319 C LYS A 22 8.644 1.518 -8.577 1.00 0.00 C ATOM 320 O LYS A 22 9.624 1.280 -9.282 1.00 0.00 O ATOM 321 CB LYS A 22 6.851 3.068 -9.550 1.00 0.00 C ATOM 322 CG LYS A 22 7.346 3.031 -10.998 1.00 0.00 C ATOM 323 CD LYS A 22 6.433 2.163 -11.867 1.00 0.00 C ATOM 324 CE LYS A 22 6.896 2.169 -13.325 1.00 0.00 C ATOM 325 NZ LYS A 22 5.872 2.794 -14.191 1.00 0.00 N ATOM 0 H LYS A 22 9.817 3.572 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 22 7.589 3.065 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.126 2.270 -9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.335 4.010 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.382 4.044 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.363 2.640 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.428 1.141 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.409 2.531 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.836 2.714 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.087 1.148 -13.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.202 2.790 -15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.984 2.258 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.709 3.774 -13.884 1.00 0.00 H new ATOM 339 N THR A 23 8.055 0.634 -7.786 1.00 0.00 N ATOM 340 CA THR A 23 8.546 -0.731 -7.693 1.00 0.00 C ATOM 341 C THR A 23 7.378 -1.719 -7.699 1.00 0.00 C ATOM 342 O THR A 23 6.248 -1.352 -7.381 1.00 0.00 O ATOM 343 CB THR A 23 9.423 -0.834 -6.444 1.00 0.00 C ATOM 344 OG1 THR A 23 9.913 -2.172 -6.473 1.00 0.00 O ATOM 345 CG2 THR A 23 8.610 -0.763 -5.150 1.00 0.00 C ATOM 0 H THR A 23 7.242 0.836 -7.203 1.00 0.00 H new ATOM 0 HA THR A 23 9.156 -0.992 -8.558 1.00 0.00 H new ATOM 0 HB THR A 23 10.162 -0.033 -6.453 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.493 -2.325 -5.698 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.281 -0.841 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.076 0.186 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.893 -1.584 -5.125 1.00 0.00 H new ATOM 353 N ILE A 24 7.691 -2.954 -8.064 1.00 0.00 N ATOM 354 CA ILE A 24 6.682 -3.998 -8.115 1.00 0.00 C ATOM 355 C ILE A 24 6.922 -4.990 -6.976 1.00 0.00 C ATOM 356 O ILE A 24 8.063 -5.353 -6.695 1.00 0.00 O ATOM 357 CB ILE A 24 6.653 -4.647 -9.501 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.205 -3.645 -10.567 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.785 -5.907 -9.497 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.711 -3.342 -10.441 1.00 0.00 C ATOM 0 H ILE A 24 8.629 -3.255 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 24 5.688 -3.576 -7.965 1.00 0.00 H new ATOM 0 HB ILE A 24 7.667 -4.955 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.777 -2.722 -10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.416 -4.045 -11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.781 -6.349 -10.493 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.189 -6.625 -8.783 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.766 -5.646 -9.212 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.419 -2.627 -11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.141 -4.263 -10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.507 -2.920 -9.457 1.00 0.00 H new ATOM 372 N VAL A 25 5.828 -5.400 -6.351 1.00 0.00 N ATOM 373 CA VAL A 25 5.906 -6.344 -5.248 1.00 0.00 C ATOM 374 C VAL A 25 4.779 -7.370 -5.381 1.00 0.00 C ATOM 375 O VAL A 25 3.733 -7.078 -5.958 1.00 0.00 O ATOM 376 CB VAL A 25 5.877 -5.594 -3.915 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.016 -4.575 -3.834 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.522 -4.919 -3.694 1.00 0.00 C ATOM 0 H VAL A 25 4.883 -5.096 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 25 6.849 -6.890 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 25 6.022 -6.323 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.972 -4.056 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.972 -5.090 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.916 -3.852 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.529 -4.393 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.334 -4.208 -4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.736 -5.674 -3.687 1.00 0.00 H new ATOM 388 N ARG A 26 5.031 -8.552 -4.837 1.00 0.00 N ATOM 389 CA ARG A 26 4.051 -9.623 -4.887 1.00 0.00 C ATOM 390 C ARG A 26 3.494 -9.899 -3.490 1.00 0.00 C ATOM 391 O ARG A 26 4.223 -10.338 -2.602 1.00 0.00 O ATOM 392 CB ARG A 26 4.668 -10.908 -5.445 1.00 0.00 C ATOM 393 CG ARG A 26 3.963 -11.340 -6.732 1.00 0.00 C ATOM 394 CD ARG A 26 4.977 -11.764 -7.797 1.00 0.00 C ATOM 395 NE ARG A 26 4.294 -12.505 -8.880 1.00 0.00 N ATOM 396 CZ ARG A 26 3.873 -13.773 -8.774 1.00 0.00 C ATOM 397 NH1 ARG A 26 4.063 -14.449 -7.633 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.262 -14.365 -9.810 1.00 0.00 N ATOM 0 H ARG A 26 5.900 -8.791 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 26 3.244 -9.303 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.728 -10.751 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.596 -11.703 -4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.286 -12.167 -6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.354 -10.519 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.477 -10.885 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.748 -12.389 -7.348 1.00 0.00 H new ATOM 0 HE ARG A 26 4.133 -12.020 -9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.528 -13.999 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.743 -15.414 -7.553 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.118 -13.850 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.942 -15.330 -9.729 1.00 0.00 H new ATOM 412 N VAL A 27 2.205 -9.629 -3.338 1.00 0.00 N ATOM 413 CA VAL A 27 1.541 -9.842 -2.063 1.00 0.00 C ATOM 414 C VAL A 27 0.155 -10.440 -2.309 1.00 0.00 C ATOM 415 O VAL A 27 -0.261 -10.602 -3.455 1.00 0.00 O ATOM 416 CB VAL A 27 1.496 -8.533 -1.271 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.724 -8.395 -0.370 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.365 -7.330 -2.208 1.00 0.00 C ATOM 0 H VAL A 27 1.603 -9.265 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 27 2.099 -10.554 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 27 0.613 -8.558 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.667 -7.457 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.755 -9.228 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.626 -8.402 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.335 -6.413 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.220 -7.300 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.447 -7.419 -2.788 1.00 0.00 H new ATOM 428 N SER A 28 -0.522 -10.753 -1.214 1.00 0.00 N ATOM 429 CA SER A 28 -1.853 -11.330 -1.296 1.00 0.00 C ATOM 430 C SER A 28 -2.897 -10.220 -1.440 1.00 0.00 C ATOM 431 O SER A 28 -2.913 -9.273 -0.656 1.00 0.00 O ATOM 432 CB SER A 28 -2.158 -12.189 -0.067 1.00 0.00 C ATOM 433 OG SER A 28 -2.264 -13.572 -0.395 1.00 0.00 O ATOM 0 H SER A 28 -0.174 -10.618 -0.265 1.00 0.00 H new ATOM 0 HA SER A 28 -1.893 -11.974 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.372 -12.052 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.089 -11.852 0.389 1.00 0.00 H new ATOM 0 HG SER A 28 -1.782 -13.748 -1.230 1.00 0.00 H new ATOM 439 N PRO A 29 -3.766 -10.379 -2.474 1.00 0.00 N ATOM 440 CA PRO A 29 -4.810 -9.402 -2.731 1.00 0.00 C ATOM 441 C PRO A 29 -5.944 -9.531 -1.712 1.00 0.00 C ATOM 442 O PRO A 29 -6.894 -8.749 -1.732 1.00 0.00 O ATOM 443 CB PRO A 29 -5.259 -9.671 -4.158 1.00 0.00 C ATOM 444 CG PRO A 29 -4.782 -11.077 -4.486 1.00 0.00 C ATOM 445 CD PRO A 29 -3.777 -11.488 -3.423 1.00 0.00 C ATOM 0 HA PRO A 29 -4.460 -8.375 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.343 -9.595 -4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.831 -8.942 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.623 -11.771 -4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.324 -11.104 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.071 -12.420 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.789 -11.650 -3.854 1.00 0.00 H new ATOM 453 N HIS A 30 -5.809 -10.525 -0.846 1.00 0.00 N ATOM 454 CA HIS A 30 -6.810 -10.767 0.178 1.00 0.00 C ATOM 455 C HIS A 30 -6.525 -9.883 1.394 1.00 0.00 C ATOM 456 O HIS A 30 -7.327 -9.015 1.736 1.00 0.00 O ATOM 457 CB HIS A 30 -6.880 -12.254 0.529 1.00 0.00 C ATOM 458 CG HIS A 30 -7.659 -13.084 -0.463 1.00 0.00 C ATOM 459 ND1 HIS A 30 -9.042 -13.081 -0.521 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.235 -13.942 -1.435 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.422 -13.904 -1.487 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.301 -14.437 -2.052 1.00 0.00 N ATOM 0 H HIS A 30 -5.021 -11.172 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.796 -10.496 -0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.866 -12.648 0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.334 -12.363 1.514 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.206 -14.178 -1.664 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.441 -14.116 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.284 -15.106 -2.822 1.00 0.00 H new ATOM 470 N ALA A 31 -5.382 -10.135 2.013 1.00 0.00 N ATOM 471 CA ALA A 31 -4.981 -9.373 3.183 1.00 0.00 C ATOM 472 C ALA A 31 -5.331 -7.899 2.971 1.00 0.00 C ATOM 473 O ALA A 31 -5.459 -7.445 1.835 1.00 0.00 O ATOM 474 CB ALA A 31 -3.489 -9.586 3.445 1.00 0.00 C ATOM 0 H ALA A 31 -4.720 -10.856 1.726 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.519 -9.716 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.188 -9.014 4.323 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.298 -10.645 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.916 -9.251 2.580 1.00 0.00 H new ATOM 480 N SER A 32 -5.476 -7.192 4.083 1.00 0.00 N ATOM 481 CA SER A 32 -5.808 -5.778 4.033 1.00 0.00 C ATOM 482 C SER A 32 -4.534 -4.946 3.881 1.00 0.00 C ATOM 483 O SER A 32 -3.472 -5.336 4.365 1.00 0.00 O ATOM 484 CB SER A 32 -6.577 -5.349 5.284 1.00 0.00 C ATOM 485 OG SER A 32 -6.260 -6.161 6.410 1.00 0.00 O ATOM 0 H SER A 32 -5.370 -7.572 5.024 1.00 0.00 H new ATOM 0 HA SER A 32 -6.450 -5.608 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.347 -4.308 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.648 -5.403 5.088 1.00 0.00 H new ATOM 0 HG SER A 32 -6.770 -5.854 7.189 1.00 0.00 H new ATOM 491 N LEU A 33 -4.681 -3.814 3.208 1.00 0.00 N ATOM 492 CA LEU A 33 -3.555 -2.923 2.987 1.00 0.00 C ATOM 493 C LEU A 33 -2.846 -2.664 4.318 1.00 0.00 C ATOM 494 O LEU A 33 -1.636 -2.443 4.348 1.00 0.00 O ATOM 495 CB LEU A 33 -4.012 -1.648 2.276 1.00 0.00 C ATOM 496 CG LEU A 33 -4.304 -1.782 0.780 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.028 -0.543 0.249 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.025 -2.079 -0.005 1.00 0.00 C ATOM 0 H LEU A 33 -5.563 -3.494 2.809 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.827 -3.388 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.912 -1.283 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.244 -0.886 2.409 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.973 -2.631 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.223 -0.664 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.972 -0.418 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.405 0.338 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.261 -2.169 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.312 -1.267 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.589 -3.013 0.350 1.00 0.00 H new ATOM 510 N GLN A 34 -3.629 -2.701 5.386 1.00 0.00 N ATOM 511 CA GLN A 34 -3.091 -2.473 6.716 1.00 0.00 C ATOM 512 C GLN A 34 -1.949 -3.451 7.002 1.00 0.00 C ATOM 513 O GLN A 34 -0.985 -3.103 7.682 1.00 0.00 O ATOM 514 CB GLN A 34 -4.187 -2.585 7.777 1.00 0.00 C ATOM 515 CG GLN A 34 -3.590 -2.883 9.154 1.00 0.00 C ATOM 516 CD GLN A 34 -4.595 -2.577 10.266 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.723 -2.178 10.026 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.125 -2.784 11.493 1.00 0.00 N ATOM 0 H GLN A 34 -4.632 -2.885 5.357 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.693 -1.459 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.756 -1.656 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.886 -3.375 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.292 -3.930 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.689 -2.288 9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.171 -3.119 11.624 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.719 -2.608 12.303 1.00 0.00 H new ATOM 527 N GLU A 35 -2.096 -4.654 6.468 1.00 0.00 N ATOM 528 CA GLU A 35 -1.090 -5.685 6.657 1.00 0.00 C ATOM 529 C GLU A 35 -0.076 -5.653 5.512 1.00 0.00 C ATOM 530 O GLU A 35 1.047 -6.135 5.658 1.00 0.00 O ATOM 531 CB GLU A 35 -1.736 -7.067 6.779 1.00 0.00 C ATOM 532 CG GLU A 35 -1.811 -7.509 8.242 1.00 0.00 C ATOM 533 CD GLU A 35 -0.474 -8.090 8.708 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.551 -7.415 8.472 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.508 -9.196 9.291 1.00 0.00 O ATOM 0 H GLU A 35 -2.897 -4.938 5.904 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.563 -5.484 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.738 -7.043 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.161 -7.793 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.081 -6.659 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.597 -8.255 8.361 1.00 0.00 H new ATOM 542 N LEU A 36 -0.507 -5.080 4.398 1.00 0.00 N ATOM 543 CA LEU A 36 0.349 -4.979 3.228 1.00 0.00 C ATOM 544 C LEU A 36 1.013 -3.601 3.205 1.00 0.00 C ATOM 545 O LEU A 36 1.629 -3.221 2.211 1.00 0.00 O ATOM 546 CB LEU A 36 -0.439 -5.304 1.957 1.00 0.00 C ATOM 547 CG LEU A 36 -1.065 -6.698 1.894 1.00 0.00 C ATOM 548 CD1 LEU A 36 -2.069 -6.797 0.744 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.013 -7.780 1.808 1.00 0.00 C ATOM 0 H LEU A 36 -1.438 -4.681 4.281 1.00 0.00 H new ATOM 0 HA LEU A 36 1.149 -5.718 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.233 -4.566 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.226 -5.187 1.101 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.617 -6.866 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.499 -7.798 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.863 -6.064 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.561 -6.599 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.459 -8.761 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.613 -7.626 0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.655 -7.725 2.687 1.00 0.00 H new ATOM 561 N ALA A 37 0.864 -2.889 4.313 1.00 0.00 N ATOM 562 CA ALA A 37 1.441 -1.561 4.432 1.00 0.00 C ATOM 563 C ALA A 37 2.950 -1.684 4.656 1.00 0.00 C ATOM 564 O ALA A 37 3.738 -1.037 3.968 1.00 0.00 O ATOM 565 CB ALA A 37 0.744 -0.801 5.562 1.00 0.00 C ATOM 0 H ALA A 37 0.352 -3.207 5.136 1.00 0.00 H new ATOM 0 HA ALA A 37 1.289 -0.992 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.177 0.195 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.320 -0.716 5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.878 -1.340 6.500 1.00 0.00 H new ATOM 571 N PRO A 38 3.316 -2.541 5.647 1.00 0.00 N ATOM 572 CA PRO A 38 4.716 -2.756 5.970 1.00 0.00 C ATOM 573 C PRO A 38 5.394 -3.632 4.915 1.00 0.00 C ATOM 574 O PRO A 38 6.506 -3.338 4.479 1.00 0.00 O ATOM 575 CB PRO A 38 4.707 -3.390 7.352 1.00 0.00 C ATOM 576 CG PRO A 38 3.301 -3.930 7.554 1.00 0.00 C ATOM 577 CD PRO A 38 2.410 -3.324 6.482 1.00 0.00 C ATOM 0 HA PRO A 38 5.294 -1.832 5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.446 -4.189 7.420 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.958 -2.658 8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.296 -5.018 7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.932 -3.673 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.906 -4.097 5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.634 -2.697 6.920 1.00 0.00 H new ATOM 585 N ILE A 39 4.695 -4.692 4.534 1.00 0.00 N ATOM 586 CA ILE A 39 5.216 -5.613 3.538 1.00 0.00 C ATOM 587 C ILE A 39 5.543 -4.841 2.258 1.00 0.00 C ATOM 588 O ILE A 39 6.381 -5.271 1.467 1.00 0.00 O ATOM 589 CB ILE A 39 4.244 -6.775 3.323 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.267 -7.736 4.514 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.530 -7.492 2.002 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.854 -7.987 5.044 1.00 0.00 C ATOM 0 H ILE A 39 3.773 -4.933 4.897 1.00 0.00 H new ATOM 0 HA ILE A 39 6.145 -6.064 3.885 1.00 0.00 H new ATOM 0 HB ILE A 39 3.235 -6.369 3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.720 -8.681 4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.889 -7.322 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.825 -8.313 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.422 -6.789 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.547 -7.885 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.899 -8.673 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.413 -7.043 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.242 -8.424 4.255 1.00 0.00 H new ATOM 604 N ILE A 40 4.866 -3.714 2.094 1.00 0.00 N ATOM 605 CA ILE A 40 5.074 -2.879 0.924 1.00 0.00 C ATOM 606 C ILE A 40 6.120 -1.809 1.246 1.00 0.00 C ATOM 607 O ILE A 40 7.107 -1.665 0.527 1.00 0.00 O ATOM 608 CB ILE A 40 3.743 -2.309 0.429 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.912 -3.386 -0.271 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.969 -1.088 -0.466 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.488 -2.892 -0.537 1.00 0.00 C ATOM 0 H ILE A 40 4.172 -3.360 2.753 1.00 0.00 H new ATOM 0 HA ILE A 40 5.467 -3.471 0.098 1.00 0.00 H new ATOM 0 HB ILE A 40 3.172 -1.973 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.387 -3.662 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.880 -4.284 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.007 -0.702 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.492 -0.315 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.569 -1.376 -1.330 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.918 -3.676 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.008 -2.639 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.523 -2.008 -1.174 1.00 0.00 H new ATOM 623 N CYS A 41 5.867 -1.087 2.328 1.00 0.00 N ATOM 624 CA CYS A 41 6.774 -0.035 2.754 1.00 0.00 C ATOM 625 C CYS A 41 8.174 -0.635 2.893 1.00 0.00 C ATOM 626 O CYS A 41 9.164 0.000 2.534 1.00 0.00 O ATOM 627 CB CYS A 41 6.305 0.625 4.052 1.00 0.00 C ATOM 628 SG CYS A 41 5.517 2.236 3.686 1.00 0.00 S ATOM 0 H CYS A 41 5.047 -1.210 2.922 1.00 0.00 H new ATOM 0 HA CYS A 41 6.792 0.758 2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.598 -0.026 4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.152 0.769 4.723 1.00 0.00 H new ATOM 0 HG CYS A 41 4.713 2.556 4.656 1.00 0.00 H new ATOM 634 N SER A 42 8.213 -1.852 3.416 1.00 0.00 N ATOM 635 CA SER A 42 9.475 -2.545 3.607 1.00 0.00 C ATOM 636 C SER A 42 10.222 -2.650 2.275 1.00 0.00 C ATOM 637 O SER A 42 11.428 -2.416 2.215 1.00 0.00 O ATOM 638 CB SER A 42 9.255 -3.938 4.202 1.00 0.00 C ATOM 639 OG SER A 42 9.187 -3.905 5.625 1.00 0.00 O ATOM 0 H SER A 42 7.390 -2.376 3.713 1.00 0.00 H new ATOM 0 HA SER A 42 10.077 -1.970 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.332 -4.361 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.066 -4.597 3.893 1.00 0.00 H new ATOM 0 HG SER A 42 8.270 -3.701 5.904 1.00 0.00 H new ATOM 645 N LYS A 43 9.473 -3.000 1.240 1.00 0.00 N ATOM 646 CA LYS A 43 10.049 -3.138 -0.087 1.00 0.00 C ATOM 647 C LYS A 43 10.680 -1.809 -0.505 1.00 0.00 C ATOM 648 O LYS A 43 11.760 -1.788 -1.095 1.00 0.00 O ATOM 649 CB LYS A 43 9.002 -3.659 -1.074 1.00 0.00 C ATOM 650 CG LYS A 43 9.152 -5.167 -1.288 1.00 0.00 C ATOM 651 CD LYS A 43 8.717 -5.943 -0.044 1.00 0.00 C ATOM 652 CE LYS A 43 7.507 -6.829 -0.345 1.00 0.00 C ATOM 653 NZ LYS A 43 7.907 -7.988 -1.174 1.00 0.00 N ATOM 0 H LYS A 43 8.473 -3.192 1.293 1.00 0.00 H new ATOM 0 HA LYS A 43 10.846 -3.882 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.002 -3.439 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.106 -3.141 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.552 -5.478 -2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.190 -5.403 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.543 -6.558 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.471 -5.245 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.063 -7.177 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.744 -6.249 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.074 -8.579 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.310 -7.650 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.619 -8.550 -0.665 1.00 0.00 H new ATOM 667 N CYS A 44 9.980 -0.731 -0.184 1.00 0.00 N ATOM 668 CA CYS A 44 10.459 0.600 -0.518 1.00 0.00 C ATOM 669 C CYS A 44 11.211 1.158 0.691 1.00 0.00 C ATOM 670 O CYS A 44 11.470 2.358 0.766 1.00 0.00 O ATOM 671 CB CYS A 44 9.316 1.519 -0.954 1.00 0.00 C ATOM 672 SG CYS A 44 9.528 1.994 -2.708 1.00 0.00 S ATOM 0 H CYS A 44 9.085 -0.752 0.304 1.00 0.00 H new ATOM 0 HA CYS A 44 11.136 0.542 -1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.360 1.013 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.296 2.411 -0.327 1.00 0.00 H new ATOM 0 HG CYS A 44 9.036 3.182 -2.898 1.00 0.00 H new ATOM 678 N GLU A 45 11.541 0.261 1.608 1.00 0.00 N ATOM 679 CA GLU A 45 12.259 0.649 2.811 1.00 0.00 C ATOM 680 C GLU A 45 11.687 1.952 3.373 1.00 0.00 C ATOM 681 O GLU A 45 12.433 2.812 3.838 1.00 0.00 O ATOM 682 CB GLU A 45 13.758 0.781 2.536 1.00 0.00 C ATOM 683 CG GLU A 45 14.551 -0.286 3.294 1.00 0.00 C ATOM 684 CD GLU A 45 15.842 0.298 3.871 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.652 0.795 3.059 1.00 0.00 O ATOM 686 OE2 GLU A 45 15.991 0.233 5.110 1.00 0.00 O ATOM 0 H GLU A 45 11.325 -0.734 1.543 1.00 0.00 H new ATOM 0 HA GLU A 45 12.128 -0.134 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.945 0.686 1.466 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.100 1.773 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.941 -0.694 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.789 -1.112 2.624 1.00 0.00 H new ATOM 693 N PHE A 46 10.368 2.058 3.310 1.00 0.00 N ATOM 694 CA PHE A 46 9.687 3.242 3.807 1.00 0.00 C ATOM 695 C PHE A 46 9.324 3.085 5.285 1.00 0.00 C ATOM 696 O PHE A 46 9.729 2.119 5.929 1.00 0.00 O ATOM 697 CB PHE A 46 8.402 3.395 2.991 1.00 0.00 C ATOM 698 CG PHE A 46 8.536 4.332 1.790 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.765 4.608 1.275 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.427 4.890 1.235 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.889 5.478 0.160 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.551 5.760 0.120 1.00 0.00 C ATOM 703 CZ PHE A 46 8.779 6.036 -0.394 1.00 0.00 C ATOM 0 H PHE A 46 9.752 1.343 2.922 1.00 0.00 H new ATOM 0 HA PHE A 46 10.336 4.113 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.088 2.412 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.612 3.767 3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.646 4.165 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.451 4.671 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.865 5.697 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.670 6.203 -0.320 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.873 6.698 -1.242 1.00 0.00 H new ATOM 713 N ASP A 47 8.563 4.051 5.779 1.00 0.00 N ATOM 714 CA ASP A 47 8.140 4.033 7.169 1.00 0.00 C ATOM 715 C ASP A 47 6.611 4.031 7.233 1.00 0.00 C ATOM 716 O ASP A 47 5.970 5.011 6.857 1.00 0.00 O ATOM 717 CB ASP A 47 8.642 5.271 7.914 1.00 0.00 C ATOM 718 CG ASP A 47 9.947 5.074 8.688 1.00 0.00 C ATOM 719 OD1 ASP A 47 10.163 3.936 9.158 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.700 6.067 8.793 1.00 0.00 O ATOM 0 H ASP A 47 8.229 4.851 5.242 1.00 0.00 H new ATOM 0 HA ASP A 47 8.554 3.139 7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.782 6.078 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.869 5.596 8.611 1.00 0.00 H new ATOM 725 N PRO A 48 6.057 2.890 7.723 1.00 0.00 N ATOM 726 CA PRO A 48 4.616 2.747 7.840 1.00 0.00 C ATOM 727 C PRO A 48 4.080 3.557 9.023 1.00 0.00 C ATOM 728 O PRO A 48 2.876 3.567 9.277 1.00 0.00 O ATOM 729 CB PRO A 48 4.379 1.253 7.987 1.00 0.00 C ATOM 730 CG PRO A 48 5.712 0.659 8.412 1.00 0.00 C ATOM 731 CD PRO A 48 6.786 1.709 8.177 1.00 0.00 C ATOM 0 HA PRO A 48 4.082 3.137 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.607 1.051 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.039 0.817 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.684 0.370 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.928 -0.243 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.345 1.915 9.090 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.507 1.377 7.430 1.00 0.00 H new ATOM 739 N LEU A 49 4.999 4.214 9.714 1.00 0.00 N ATOM 740 CA LEU A 49 4.633 5.024 10.863 1.00 0.00 C ATOM 741 C LEU A 49 3.748 6.184 10.404 1.00 0.00 C ATOM 742 O LEU A 49 2.685 6.422 10.974 1.00 0.00 O ATOM 743 CB LEU A 49 5.884 5.470 11.625 1.00 0.00 C ATOM 744 CG LEU A 49 6.598 4.385 12.434 1.00 0.00 C ATOM 745 CD1 LEU A 49 6.168 4.425 13.902 1.00 0.00 C ATOM 746 CD2 LEU A 49 6.382 3.004 11.812 1.00 0.00 C ATOM 0 H LEU A 49 5.996 4.202 9.501 1.00 0.00 H new ATOM 0 HA LEU A 49 4.048 4.437 11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.592 5.887 10.909 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.604 6.276 12.303 1.00 0.00 H new ATOM 0 HG LEU A 49 7.669 4.587 12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.690 3.644 14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.415 5.398 14.327 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.093 4.262 13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.900 2.252 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.316 2.778 11.790 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.776 2.997 10.796 1.00 0.00 H new ATOM 758 N HIS A 50 4.219 6.876 9.376 1.00 0.00 N ATOM 759 CA HIS A 50 3.484 8.005 8.833 1.00 0.00 C ATOM 760 C HIS A 50 3.371 7.862 7.314 1.00 0.00 C ATOM 761 O HIS A 50 3.839 8.722 6.570 1.00 0.00 O ATOM 762 CB HIS A 50 4.126 9.327 9.259 1.00 0.00 C ATOM 763 CG HIS A 50 5.581 9.207 9.643 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.133 9.890 10.713 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.592 8.477 9.089 1.00 0.00 C ATOM 766 CE1 HIS A 50 7.419 9.577 10.790 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.701 8.702 9.783 1.00 0.00 N ATOM 0 H HIS A 50 5.101 6.676 8.905 1.00 0.00 H new ATOM 0 HA HIS A 50 2.472 8.013 9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.034 10.043 8.443 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.570 9.733 10.104 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.505 7.826 8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.120 9.950 11.522 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.614 8.288 9.594 1.00 0.00 H new ATOM 775 N THR A 51 2.748 6.769 6.900 1.00 0.00 N ATOM 776 CA THR A 51 2.568 6.502 5.483 1.00 0.00 C ATOM 777 C THR A 51 1.081 6.373 5.149 1.00 0.00 C ATOM 778 O THR A 51 0.320 5.777 5.910 1.00 0.00 O ATOM 779 CB THR A 51 3.381 5.254 5.130 1.00 0.00 C ATOM 780 OG1 THR A 51 4.709 5.742 4.960 1.00 0.00 O ATOM 781 CG2 THR A 51 3.015 4.686 3.757 1.00 0.00 C ATOM 0 H THR A 51 2.361 6.058 7.521 1.00 0.00 H new ATOM 0 HA THR A 51 2.935 7.329 4.875 1.00 0.00 H new ATOM 0 HB THR A 51 3.224 4.491 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.162 5.768 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.620 3.802 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.960 4.413 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.204 5.437 2.990 1.00 0.00 H new ATOM 789 N LEU A 52 0.711 6.940 4.010 1.00 0.00 N ATOM 790 CA LEU A 52 -0.671 6.896 3.566 1.00 0.00 C ATOM 791 C LEU A 52 -0.778 5.997 2.332 1.00 0.00 C ATOM 792 O LEU A 52 0.236 5.605 1.756 1.00 0.00 O ATOM 793 CB LEU A 52 -1.209 8.311 3.344 1.00 0.00 C ATOM 794 CG LEU A 52 -2.257 8.796 4.348 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.595 10.270 4.119 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.503 7.909 4.310 1.00 0.00 C ATOM 0 H LEU A 52 1.345 7.433 3.381 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.304 6.457 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.369 9.005 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.642 8.361 2.345 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.834 8.715 5.349 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.342 10.589 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.694 10.872 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.990 10.400 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.232 8.275 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.938 7.935 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.228 6.884 4.559 1.00 0.00 H new ATOM 808 N LEU A 53 -2.015 5.697 1.963 1.00 0.00 N ATOM 809 CA LEU A 53 -2.267 4.852 0.808 1.00 0.00 C ATOM 810 C LEU A 53 -3.286 5.536 -0.106 1.00 0.00 C ATOM 811 O LEU A 53 -4.491 5.438 0.120 1.00 0.00 O ATOM 812 CB LEU A 53 -2.683 3.449 1.252 1.00 0.00 C ATOM 813 CG LEU A 53 -1.604 2.619 1.952 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.149 1.251 2.368 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.353 2.498 1.080 1.00 0.00 C ATOM 0 H LEU A 53 -2.853 6.024 2.443 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.355 4.720 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.536 3.540 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.025 2.899 0.376 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.310 3.139 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.363 0.681 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.986 1.386 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.487 0.710 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.398 1.904 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.611 2.013 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.047 3.492 0.878 1.00 0.00 H new ATOM 827 N LEU A 54 -2.764 6.213 -1.119 1.00 0.00 N ATOM 828 CA LEU A 54 -3.614 6.912 -2.068 1.00 0.00 C ATOM 829 C LEU A 54 -3.893 6.000 -3.264 1.00 0.00 C ATOM 830 O LEU A 54 -3.148 5.055 -3.515 1.00 0.00 O ATOM 831 CB LEU A 54 -2.994 8.257 -2.451 1.00 0.00 C ATOM 832 CG LEU A 54 -2.693 9.212 -1.293 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.966 9.550 -0.516 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.600 8.644 -0.385 1.00 0.00 C ATOM 0 H LEU A 54 -1.764 6.292 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.577 7.148 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.065 8.066 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.667 8.760 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.313 10.145 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.724 10.230 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.684 10.026 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.399 8.635 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.405 9.341 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.928 7.689 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.687 8.496 -0.963 1.00 0.00 H new ATOM 846 N LYS A 55 -4.968 6.317 -3.970 1.00 0.00 N ATOM 847 CA LYS A 55 -5.355 5.538 -5.134 1.00 0.00 C ATOM 848 C LYS A 55 -4.152 5.392 -6.067 1.00 0.00 C ATOM 849 O LYS A 55 -3.745 4.277 -6.391 1.00 0.00 O ATOM 850 CB LYS A 55 -6.584 6.154 -5.807 1.00 0.00 C ATOM 851 CG LYS A 55 -7.735 6.307 -4.811 1.00 0.00 C ATOM 852 CD LYS A 55 -8.765 5.189 -4.987 1.00 0.00 C ATOM 853 CE LYS A 55 -9.678 5.467 -6.183 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.012 4.863 -5.968 1.00 0.00 N ATOM 0 H LYS A 55 -5.583 7.103 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.653 4.532 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.326 7.128 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.900 5.526 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.345 6.290 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.216 7.275 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.253 4.237 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.364 5.096 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.778 6.542 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.231 5.062 -7.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.619 5.061 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.913 3.834 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.443 5.269 -5.113 1.00 0.00 H new ATOM 868 N ASP A 56 -3.616 6.533 -6.474 1.00 0.00 N ATOM 869 CA ASP A 56 -2.467 6.546 -7.363 1.00 0.00 C ATOM 870 C ASP A 56 -1.746 7.890 -7.239 1.00 0.00 C ATOM 871 O ASP A 56 -1.934 8.611 -6.260 1.00 0.00 O ATOM 872 CB ASP A 56 -2.898 6.374 -8.821 1.00 0.00 C ATOM 873 CG ASP A 56 -3.986 5.324 -9.055 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.146 5.619 -8.697 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.632 4.249 -9.586 1.00 0.00 O ATOM 0 H ASP A 56 -3.957 7.456 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.812 5.722 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.255 7.334 -9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.023 6.107 -9.414 1.00 0.00 H new ATOM 880 N TYR A 57 -0.936 8.186 -8.244 1.00 0.00 N ATOM 881 CA TYR A 57 -0.186 9.430 -8.260 1.00 0.00 C ATOM 882 C TYR A 57 -1.031 10.573 -8.827 1.00 0.00 C ATOM 883 O TYR A 57 -0.944 11.706 -8.357 1.00 0.00 O ATOM 884 CB TYR A 57 1.011 9.190 -9.182 1.00 0.00 C ATOM 885 CG TYR A 57 1.596 10.467 -9.788 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.244 11.380 -8.981 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.475 10.707 -11.142 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.795 12.582 -9.551 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.026 11.909 -11.712 1.00 0.00 C ATOM 890 CZ TYR A 57 2.658 12.787 -10.889 1.00 0.00 C ATOM 891 OH TYR A 57 3.178 13.922 -11.428 1.00 0.00 O ATOM 0 H TYR A 57 -0.782 7.585 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 57 0.114 9.710 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.791 8.676 -8.621 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.707 8.523 -9.989 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.338 11.193 -7.921 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.967 9.993 -11.774 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.305 13.304 -8.931 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.939 12.109 -12.770 1.00 0.00 H new ATOM 0 HH TYR A 57 3.007 13.934 -12.393 1.00 0.00 H new ATOM 901 N GLN A 58 -1.828 10.235 -9.830 1.00 0.00 N ATOM 902 CA GLN A 58 -2.688 11.218 -10.467 1.00 0.00 C ATOM 903 C GLN A 58 -3.823 11.621 -9.523 1.00 0.00 C ATOM 904 O GLN A 58 -4.366 12.719 -9.634 1.00 0.00 O ATOM 905 CB GLN A 58 -3.238 10.689 -11.792 1.00 0.00 C ATOM 906 CG GLN A 58 -3.844 9.295 -11.617 1.00 0.00 C ATOM 907 CD GLN A 58 -4.805 8.967 -12.762 1.00 0.00 C ATOM 908 OE1 GLN A 58 -4.477 9.075 -13.932 1.00 0.00 O ATOM 909 NE2 GLN A 58 -6.006 8.562 -12.360 1.00 0.00 N ATOM 0 H GLN A 58 -1.896 9.294 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.093 12.104 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.995 11.373 -12.174 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.439 10.652 -12.532 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.049 8.551 -11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.374 9.242 -10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.214 8.494 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.719 8.319 -13.048 1.00 0.00 H new ATOM 918 N SER A 59 -4.147 10.710 -8.617 1.00 0.00 N ATOM 919 CA SER A 59 -5.208 10.957 -7.655 1.00 0.00 C ATOM 920 C SER A 59 -4.609 11.388 -6.315 1.00 0.00 C ATOM 921 O SER A 59 -3.402 11.282 -6.108 1.00 0.00 O ATOM 922 CB SER A 59 -6.084 9.716 -7.471 1.00 0.00 C ATOM 923 OG SER A 59 -6.772 9.729 -6.223 1.00 0.00 O ATOM 0 H SER A 59 -3.694 9.800 -8.529 1.00 0.00 H new ATOM 0 HA SER A 59 -5.838 11.759 -8.039 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.808 9.660 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.464 8.822 -7.534 1.00 0.00 H new ATOM 0 HG SER A 59 -7.439 9.011 -6.209 1.00 0.00 H new ATOM 929 N GLN A 60 -5.482 11.865 -5.439 1.00 0.00 N ATOM 930 CA GLN A 60 -5.054 12.313 -4.125 1.00 0.00 C ATOM 931 C GLN A 60 -6.016 11.800 -3.051 1.00 0.00 C ATOM 932 O GLN A 60 -5.944 12.219 -1.896 1.00 0.00 O ATOM 933 CB GLN A 60 -4.939 13.837 -4.075 1.00 0.00 C ATOM 934 CG GLN A 60 -3.831 14.334 -5.006 1.00 0.00 C ATOM 935 CD GLN A 60 -4.366 15.382 -5.985 1.00 0.00 C ATOM 936 OE1 GLN A 60 -5.199 15.108 -6.833 1.00 0.00 O ATOM 937 NE2 GLN A 60 -3.842 16.593 -5.820 1.00 0.00 N ATOM 0 H GLN A 60 -6.483 11.951 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.065 11.901 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.889 14.287 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.731 14.156 -3.054 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.021 14.762 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.413 13.494 -5.560 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.148 16.753 -5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.134 17.362 -6.424 1.00 0.00 H new ATOM 946 N GLU A 61 -6.896 10.902 -3.469 1.00 0.00 N ATOM 947 CA GLU A 61 -7.871 10.328 -2.558 1.00 0.00 C ATOM 948 C GLU A 61 -7.249 9.169 -1.776 1.00 0.00 C ATOM 949 O GLU A 61 -6.636 8.279 -2.362 1.00 0.00 O ATOM 950 CB GLU A 61 -9.123 9.873 -3.310 1.00 0.00 C ATOM 951 CG GLU A 61 -10.336 10.719 -2.918 1.00 0.00 C ATOM 952 CD GLU A 61 -11.636 9.933 -3.102 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.634 8.739 -2.731 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.601 10.544 -3.609 1.00 0.00 O ATOM 0 H GLU A 61 -6.954 10.558 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.174 11.098 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.954 9.949 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.321 8.824 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.242 11.036 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.365 11.623 -3.526 1.00 0.00 H new ATOM 961 N PRO A 62 -7.434 9.220 -0.429 1.00 0.00 N ATOM 962 CA PRO A 62 -6.898 8.185 0.439 1.00 0.00 C ATOM 963 C PRO A 62 -7.726 6.902 0.339 1.00 0.00 C ATOM 964 O PRO A 62 -8.892 6.941 -0.050 1.00 0.00 O ATOM 965 CB PRO A 62 -6.912 8.794 1.831 1.00 0.00 C ATOM 966 CG PRO A 62 -7.880 9.964 1.765 1.00 0.00 C ATOM 967 CD PRO A 62 -8.154 10.259 0.300 1.00 0.00 C ATOM 0 HA PRO A 62 -5.888 7.883 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.233 8.063 2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.916 9.127 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.807 9.723 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.456 10.839 2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.222 10.227 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.802 11.253 0.024 1.00 0.00 H new ATOM 975 N LEU A 63 -7.090 5.796 0.696 1.00 0.00 N ATOM 976 CA LEU A 63 -7.753 4.504 0.651 1.00 0.00 C ATOM 977 C LEU A 63 -8.038 4.032 2.078 1.00 0.00 C ATOM 978 O LEU A 63 -7.511 4.592 3.038 1.00 0.00 O ATOM 979 CB LEU A 63 -6.934 3.509 -0.173 1.00 0.00 C ATOM 980 CG LEU A 63 -6.417 4.020 -1.520 1.00 0.00 C ATOM 981 CD1 LEU A 63 -5.168 3.251 -1.955 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.517 3.973 -2.583 1.00 0.00 C ATOM 0 H LEU A 63 -6.122 5.768 1.018 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.714 4.587 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.080 3.189 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.546 2.625 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.128 5.064 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.821 3.634 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.384 3.379 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.408 2.192 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.123 4.341 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.859 2.946 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.353 4.599 -2.270 1.00 0.00 H new ATOM 994 N ASP A 64 -8.871 3.006 2.173 1.00 0.00 N ATOM 995 CA ASP A 64 -9.233 2.453 3.467 1.00 0.00 C ATOM 996 C ASP A 64 -8.467 1.147 3.690 1.00 0.00 C ATOM 997 O ASP A 64 -8.789 0.123 3.090 1.00 0.00 O ATOM 998 CB ASP A 64 -10.729 2.140 3.534 1.00 0.00 C ATOM 999 CG ASP A 64 -11.543 3.066 4.440 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.530 4.285 4.163 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.160 2.534 5.388 1.00 0.00 O ATOM 0 H ASP A 64 -9.306 2.543 1.375 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.985 3.190 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.141 2.189 2.526 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.855 1.114 3.881 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.466 1.226 4.555 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.652 0.064 4.865 1.00 0.00 C ATOM 1008 C LEU A 65 -7.563 -1.136 5.132 1.00 0.00 C ATOM 1009 O LEU A 65 -7.374 -2.205 4.553 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.691 0.374 6.015 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.748 1.559 5.800 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.287 2.143 7.137 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.568 1.167 4.908 1.00 0.00 C ATOM 0 H LEU A 65 -7.201 2.077 5.051 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.022 -0.197 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.279 0.562 6.913 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.089 -0.514 6.208 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.298 2.343 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.618 2.984 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.154 2.485 7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.761 1.377 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.913 2.028 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.010 0.358 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.939 0.836 3.938 1.00 0.00 H new ATOM 1025 N THR A 66 -8.532 -0.919 6.009 1.00 0.00 N ATOM 1026 CA THR A 66 -9.473 -1.969 6.360 1.00 0.00 C ATOM 1027 C THR A 66 -9.867 -2.769 5.117 1.00 0.00 C ATOM 1028 O THR A 66 -10.014 -3.988 5.180 1.00 0.00 O ATOM 1029 CB THR A 66 -10.664 -1.319 7.068 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.145 -0.362 6.129 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.241 -0.478 8.274 1.00 0.00 C ATOM 0 H THR A 66 -8.686 -0.031 6.487 1.00 0.00 H new ATOM 0 HA THR A 66 -9.025 -2.690 7.043 1.00 0.00 H new ATOM 0 HB THR A 66 -11.360 -2.093 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.919 0.106 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.124 -0.040 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.726 -1.111 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.571 0.317 7.946 1.00 0.00 H new ATOM 1039 N LYS A 67 -10.027 -2.050 4.016 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.401 -2.677 2.760 1.00 0.00 C ATOM 1041 C LYS A 67 -9.171 -3.345 2.142 1.00 0.00 C ATOM 1042 O LYS A 67 -8.046 -2.893 2.347 1.00 0.00 O ATOM 1043 CB LYS A 67 -11.080 -1.664 1.836 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.269 -0.999 2.532 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.589 -1.415 1.879 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.611 -1.843 2.934 1.00 0.00 C ATOM 1047 NZ LYS A 67 -14.069 -2.941 3.765 1.00 0.00 N ATOM 0 H LYS A 67 -9.904 -1.039 3.968 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.138 -3.461 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.360 -0.904 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.418 -2.164 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.278 -1.274 3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.162 0.085 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.988 -0.585 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.412 -2.236 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.867 -0.993 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.531 -2.167 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.843 -3.574 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.368 -3.478 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.615 -2.544 4.612 1.00 0.00 H new ATOM 1061 N SER A 68 -9.427 -4.411 1.397 1.00 0.00 N ATOM 1062 CA SER A 68 -8.355 -5.145 0.748 1.00 0.00 C ATOM 1063 C SER A 68 -8.320 -4.810 -0.744 1.00 0.00 C ATOM 1064 O SER A 68 -9.249 -4.198 -1.269 1.00 0.00 O ATOM 1065 CB SER A 68 -8.519 -6.653 0.950 1.00 0.00 C ATOM 1066 OG SER A 68 -9.886 -7.051 0.908 1.00 0.00 O ATOM 0 H SER A 68 -10.362 -4.783 1.229 1.00 0.00 H new ATOM 0 HA SER A 68 -7.411 -4.845 1.203 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.963 -7.185 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.087 -6.940 1.909 1.00 0.00 H new ATOM 0 HG SER A 68 -9.941 -8.029 0.879 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.238 -5.227 -1.386 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.070 -4.979 -2.808 1.00 0.00 C ATOM 1074 C LEU A 69 -8.288 -5.515 -3.563 1.00 0.00 C ATOM 1075 O LEU A 69 -8.661 -4.981 -4.606 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.740 -5.555 -3.299 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.481 -4.803 -2.862 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.381 -3.447 -3.564 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.426 -4.665 -1.339 1.00 0.00 C ATOM 0 H LEU A 69 -6.470 -5.735 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.019 -3.908 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.663 -6.585 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.761 -5.587 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.612 -5.387 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.478 -2.933 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.341 -3.598 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.253 -2.843 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.522 -4.127 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.300 -4.114 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.417 -5.655 -0.884 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.875 -6.564 -3.005 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.043 -7.178 -3.612 1.00 0.00 C ATOM 1093 C ASN A 70 -11.258 -6.271 -3.403 1.00 0.00 C ATOM 1094 O ASN A 70 -11.913 -5.874 -4.365 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.349 -8.533 -2.971 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.953 -9.682 -3.901 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.260 -9.693 -5.081 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.255 -10.644 -3.304 1.00 0.00 N ATOM 0 H ASN A 70 -8.563 -7.004 -2.139 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.836 -7.319 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.811 -8.623 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.412 -8.598 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.942 -11.454 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.032 -10.571 -2.311 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.521 -5.971 -2.140 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.645 -5.118 -1.793 1.00 0.00 C ATOM 1107 C ASP A 71 -12.553 -3.812 -2.584 1.00 0.00 C ATOM 1108 O ASP A 71 -13.564 -3.295 -3.057 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.632 -4.770 -0.303 1.00 0.00 C ATOM 1110 CG ASP A 71 -14.013 -4.661 0.348 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.846 -3.916 -0.212 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -14.204 -5.324 1.389 1.00 0.00 O ATOM 0 H ASP A 71 -10.976 -6.303 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.563 -5.656 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.056 -5.529 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.109 -3.823 -0.171 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.330 -3.315 -2.704 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.093 -2.079 -3.429 1.00 0.00 C ATOM 1119 C LEU A 72 -11.157 -2.355 -4.933 1.00 0.00 C ATOM 1120 O LEU A 72 -12.004 -1.802 -5.633 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.780 -1.436 -2.978 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.727 -0.969 -1.522 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.284 -0.916 -1.015 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.445 0.371 -1.350 1.00 0.00 C ATOM 0 H LEU A 72 -10.493 -3.746 -2.311 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.872 -1.350 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.974 -2.152 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.578 -0.579 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.256 -1.699 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.275 -0.581 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.839 -1.909 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.709 -0.220 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.393 0.680 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.966 1.124 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.489 0.265 -1.645 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.252 -3.210 -5.385 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.195 -3.566 -6.792 1.00 0.00 C ATOM 1138 C GLY A 73 -9.136 -2.740 -7.525 1.00 0.00 C ATOM 1139 O GLY A 73 -9.349 -2.317 -8.660 1.00 0.00 O ATOM 0 H GLY A 73 -9.552 -3.667 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.968 -4.627 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.170 -3.404 -7.251 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.017 -2.535 -6.845 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.924 -1.768 -7.417 1.00 0.00 C ATOM 1145 C LEU A 74 -5.697 -2.670 -7.568 1.00 0.00 C ATOM 1146 O LEU A 74 -5.429 -3.508 -6.709 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.663 -0.508 -6.589 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.875 0.390 -6.334 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.590 1.390 -5.211 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.322 1.086 -7.621 1.00 0.00 C ATOM 0 H LEU A 74 -7.844 -2.887 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.186 -1.417 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.250 -0.809 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.898 0.082 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.702 -0.238 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.468 2.016 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.356 0.850 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.743 2.017 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.185 1.718 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.507 1.700 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.593 0.337 -8.365 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.985 -2.467 -8.667 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.794 -3.252 -8.942 1.00 0.00 C ATOM 1164 C ARG A 75 -2.537 -2.419 -8.677 1.00 0.00 C ATOM 1165 O ARG A 75 -1.420 -2.922 -8.788 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.777 -3.739 -10.392 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.339 -5.159 -10.499 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.336 -6.187 -9.972 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.940 -7.111 -11.058 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.758 -8.019 -11.607 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -5.021 -8.131 -11.175 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.312 -8.816 -12.588 1.00 0.00 N ATOM 0 H ARG A 75 -5.210 -1.770 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.808 -4.118 -8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.365 -3.063 -11.013 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.757 -3.718 -10.775 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.268 -5.230 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.580 -5.381 -11.538 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.456 -5.679 -9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.777 -6.748 -9.148 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.985 -7.053 -11.411 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.360 -7.525 -10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.644 -8.822 -11.593 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.350 -8.731 -12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.935 -9.507 -13.006 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.763 -1.160 -8.331 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.663 -0.253 -8.049 1.00 0.00 C ATOM 1188 C GLU A 76 -2.093 0.802 -7.028 1.00 0.00 C ATOM 1189 O GLU A 76 -3.266 1.168 -6.966 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.150 0.403 -9.333 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.219 1.308 -9.950 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.079 0.535 -10.953 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -3.799 -0.379 -10.496 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -2.998 0.877 -12.152 1.00 0.00 O ATOM 0 H GLU A 76 -3.691 -0.747 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.843 -0.830 -7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.255 0.987 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.862 -0.367 -10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.852 1.718 -9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.743 2.152 -10.448 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.121 1.261 -6.254 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.385 2.267 -5.239 1.00 0.00 C ATOM 1203 C LEU A 77 -0.132 3.121 -5.037 1.00 0.00 C ATOM 1204 O LEU A 77 0.935 2.797 -5.555 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.896 1.611 -3.954 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.124 0.378 -3.478 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.371 0.672 -2.179 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.052 -0.831 -3.343 1.00 0.00 C ATOM 0 H LEU A 77 -0.150 0.955 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.180 2.938 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.879 2.355 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.938 1.328 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.378 0.128 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.169 -0.220 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.336 1.485 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.081 0.961 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.479 -1.694 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.836 -0.609 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.503 -1.053 -4.310 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.304 4.197 -4.282 1.00 0.00 N ATOM 1221 CA TYR A 78 0.799 5.101 -4.005 1.00 0.00 C ATOM 1222 C TYR A 78 1.000 5.275 -2.498 1.00 0.00 C ATOM 1223 O TYR A 78 0.032 5.311 -1.740 1.00 0.00 O ATOM 1224 CB TYR A 78 0.404 6.447 -4.615 1.00 0.00 C ATOM 1225 CG TYR A 78 1.319 7.605 -4.211 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.580 7.713 -4.761 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.884 8.542 -3.296 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.442 8.803 -4.381 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.745 9.632 -2.916 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.981 9.708 -3.477 1.00 0.00 C ATOM 1231 OH TYR A 78 3.794 10.738 -3.118 1.00 0.00 O ATOM 0 H TYR A 78 -1.191 4.463 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 78 1.729 4.711 -4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.407 6.357 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.618 6.684 -4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.921 6.980 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.103 8.458 -2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.431 8.899 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.416 10.372 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 78 3.333 11.306 -2.466 1.00 0.00 H new ATOM 1241 N ALA A 79 2.262 5.381 -2.110 1.00 0.00 N ATOM 1242 CA ALA A 79 2.602 5.551 -0.708 1.00 0.00 C ATOM 1243 C ALA A 79 3.031 6.999 -0.463 1.00 0.00 C ATOM 1244 O ALA A 79 4.087 7.424 -0.930 1.00 0.00 O ATOM 1245 CB ALA A 79 3.690 4.547 -0.320 1.00 0.00 C ATOM 0 H ALA A 79 3.062 5.352 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 79 1.736 5.353 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.945 4.675 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.325 3.533 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.576 4.717 -0.931 1.00 0.00 H new ATOM 1251 N MET A 80 2.190 7.716 0.267 1.00 0.00 N ATOM 1252 CA MET A 80 2.469 9.108 0.579 1.00 0.00 C ATOM 1253 C MET A 80 3.038 9.250 1.992 1.00 0.00 C ATOM 1254 O MET A 80 2.752 8.432 2.865 1.00 0.00 O ATOM 1255 CB MET A 80 1.181 9.926 0.462 1.00 0.00 C ATOM 1256 CG MET A 80 1.478 11.426 0.511 1.00 0.00 C ATOM 1257 SD MET A 80 0.455 12.290 -0.669 1.00 0.00 S ATOM 1258 CE MET A 80 -1.125 12.182 0.154 1.00 0.00 C ATOM 0 H MET A 80 1.315 7.360 0.652 1.00 0.00 H new ATOM 0 HA MET A 80 3.210 9.478 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.675 9.682 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.502 9.659 1.272 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.293 11.809 1.514 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.531 11.604 0.291 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.889 11.881 -0.563 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.068 11.445 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.384 13.154 0.573 1.00 0.00 H new ATOM 1268 N ASP A 81 3.832 10.295 2.174 1.00 0.00 N ATOM 1269 CA ASP A 81 4.443 10.554 3.466 1.00 0.00 C ATOM 1270 C ASP A 81 3.860 11.842 4.052 1.00 0.00 C ATOM 1271 O ASP A 81 4.037 12.920 3.487 1.00 0.00 O ATOM 1272 CB ASP A 81 5.956 10.738 3.333 1.00 0.00 C ATOM 1273 CG ASP A 81 6.771 10.295 4.550 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.248 10.460 5.674 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.898 9.803 4.330 1.00 0.00 O ATOM 0 H ASP A 81 4.066 10.972 1.448 1.00 0.00 H new ATOM 0 HA ASP A 81 4.239 9.701 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.299 10.180 2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.163 11.790 3.139 1.00 0.00 H new ATOM 1280 N VAL A 82 3.177 11.687 5.177 1.00 0.00 N ATOM 1281 CA VAL A 82 2.567 12.824 5.845 1.00 0.00 C ATOM 1282 C VAL A 82 3.487 13.302 6.970 1.00 0.00 C ATOM 1283 O VAL A 82 3.407 14.454 7.395 1.00 0.00 O ATOM 1284 CB VAL A 82 1.166 12.453 6.335 1.00 0.00 C ATOM 1285 CG1 VAL A 82 0.161 12.465 5.181 1.00 0.00 C ATOM 1286 CG2 VAL A 82 1.174 11.096 7.042 1.00 0.00 C ATOM 0 H VAL A 82 3.033 10.791 5.643 1.00 0.00 H new ATOM 0 HA VAL A 82 2.444 13.655 5.150 1.00 0.00 H new ATOM 0 HB VAL A 82 0.854 13.206 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.827 12.198 5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.125 13.461 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.468 11.744 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.166 10.856 7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.517 10.327 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.845 11.137 7.900 1.00 0.00 H new ATOM 1296 N ASN A 83 4.340 12.394 7.421 1.00 0.00 N ATOM 1297 CA ASN A 83 5.274 12.709 8.488 1.00 0.00 C ATOM 1298 C ASN A 83 4.554 13.522 9.566 1.00 0.00 C ATOM 1299 O ASN A 83 4.719 14.738 9.646 1.00 0.00 O ATOM 1300 CB ASN A 83 6.444 13.546 7.967 1.00 0.00 C ATOM 1301 CG ASN A 83 7.340 14.011 9.117 1.00 0.00 C ATOM 1302 OD1 ASN A 83 7.075 13.767 10.283 1.00 0.00 O ATOM 1303 ND2 ASN A 83 8.412 14.694 8.725 1.00 0.00 N ATOM 0 H ASN A 83 4.404 11.440 7.067 1.00 0.00 H new ATOM 0 HA ASN A 83 5.654 11.771 8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.029 12.959 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.064 14.412 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.072 15.049 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.574 14.863 7.732 1.00 0.00 H new ATOM 1310 N ARG A 84 3.771 12.816 10.369 1.00 0.00 N ATOM 1311 CA ARG A 84 3.025 13.457 11.439 1.00 0.00 C ATOM 1312 C ARG A 84 3.194 12.677 12.745 1.00 0.00 C ATOM 1313 O ARG A 84 2.507 11.683 12.971 1.00 0.00 O ATOM 1314 CB ARG A 84 1.537 13.548 11.096 1.00 0.00 C ATOM 1315 CG ARG A 84 1.008 14.966 11.319 1.00 0.00 C ATOM 1316 CD ARG A 84 0.196 15.052 12.613 1.00 0.00 C ATOM 1317 NE ARG A 84 -0.495 16.358 12.690 1.00 0.00 N ATOM 1318 CZ ARG A 84 -1.410 16.670 13.619 1.00 0.00 C ATOM 1319 NH1 ARG A 84 -1.749 15.771 14.553 1.00 0.00 N ATOM 1320 NH2 ARG A 84 -1.986 17.880 13.612 1.00 0.00 N ATOM 0 H ARG A 84 3.637 11.807 10.300 1.00 0.00 H new ATOM 0 HA ARG A 84 3.420 14.466 11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.381 13.257 10.057 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.975 12.845 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.842 15.666 11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.386 15.263 10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.533 14.243 12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.853 14.928 13.474 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.261 17.065 11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.311 14.850 14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.445 16.008 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.728 18.563 12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.682 18.118 14.319 1.00 0.00 H new ATOM 1334 N GLU A 85 4.113 13.158 13.570 1.00 0.00 N ATOM 1335 CA GLU A 85 4.381 12.518 14.846 1.00 0.00 C ATOM 1336 C GLU A 85 4.489 13.568 15.954 1.00 0.00 C ATOM 1337 O GLU A 85 5.500 14.260 16.062 1.00 0.00 O ATOM 1338 CB GLU A 85 5.648 11.663 14.776 1.00 0.00 C ATOM 1339 CG GLU A 85 5.363 10.225 15.212 1.00 0.00 C ATOM 1340 CD GLU A 85 4.980 9.354 14.014 1.00 0.00 C ATOM 1341 OE1 GLU A 85 5.916 8.838 13.366 1.00 0.00 O ATOM 1342 OE2 GLU A 85 3.761 9.224 13.773 1.00 0.00 O ATOM 0 H GLU A 85 4.681 13.983 13.379 1.00 0.00 H new ATOM 0 HA GLU A 85 3.548 11.855 15.080 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.039 11.668 13.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.418 12.095 15.415 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.243 9.809 15.702 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.556 10.217 15.945 1.00 0.00 H new ATOM 1349 N SER A 86 3.432 13.655 16.748 1.00 0.00 N ATOM 1350 CA SER A 86 3.395 14.609 17.844 1.00 0.00 C ATOM 1351 C SER A 86 3.038 13.894 19.149 1.00 0.00 C ATOM 1352 O SER A 86 2.680 12.718 19.138 1.00 0.00 O ATOM 1353 CB SER A 86 2.395 15.732 17.563 1.00 0.00 C ATOM 1354 OG SER A 86 2.369 16.699 18.609 1.00 0.00 O ATOM 0 H SER A 86 2.594 13.080 16.654 1.00 0.00 H new ATOM 0 HA SER A 86 4.384 15.056 17.942 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.654 16.221 16.624 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.399 15.307 17.437 1.00 0.00 H new ATOM 0 HG SER A 86 1.720 17.400 18.391 1.00 0.00 H new ATOM 1360 N GLY A 87 3.148 14.635 20.241 1.00 0.00 N ATOM 1361 CA GLY A 87 2.841 14.087 21.551 1.00 0.00 C ATOM 1362 C GLY A 87 4.009 14.292 22.519 1.00 0.00 C ATOM 1363 O GLY A 87 5.153 14.443 22.093 1.00 0.00 O ATOM 0 H GLY A 87 3.446 15.611 20.246 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.946 14.566 21.949 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.621 13.023 21.462 1.00 0.00 H new ATOM 1367 N PRO A 88 3.671 14.290 23.836 1.00 0.00 N ATOM 1368 CA PRO A 88 4.678 14.473 24.867 1.00 0.00 C ATOM 1369 C PRO A 88 5.518 13.206 25.045 1.00 0.00 C ATOM 1370 O PRO A 88 5.106 12.276 25.737 1.00 0.00 O ATOM 1371 CB PRO A 88 3.898 14.849 26.116 1.00 0.00 C ATOM 1372 CG PRO A 88 2.465 14.410 25.861 1.00 0.00 C ATOM 1373 CD PRO A 88 2.326 14.113 24.377 1.00 0.00 C ATOM 0 HA PRO A 88 5.401 15.249 24.616 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.308 14.353 26.996 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.951 15.922 26.301 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.226 13.525 26.451 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.767 15.192 26.161 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.962 13.100 24.208 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.616 14.790 23.902 1.00 0.00 H new ATOM 1381 N SER A 89 6.680 13.211 24.408 1.00 0.00 N ATOM 1382 CA SER A 89 7.581 12.074 24.487 1.00 0.00 C ATOM 1383 C SER A 89 8.771 12.283 23.548 1.00 0.00 C ATOM 1384 O SER A 89 8.641 12.932 22.512 1.00 0.00 O ATOM 1385 CB SER A 89 6.856 10.771 24.143 1.00 0.00 C ATOM 1386 OG SER A 89 6.092 10.886 22.945 1.00 0.00 O ATOM 0 H SER A 89 7.018 13.984 23.835 1.00 0.00 H new ATOM 0 HA SER A 89 7.944 11.996 25.512 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.585 9.968 24.032 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.199 10.493 24.967 1.00 0.00 H new ATOM 0 HG SER A 89 5.646 10.034 22.759 1.00 0.00 H new ATOM 1392 N SER A 90 9.903 11.721 23.945 1.00 0.00 N ATOM 1393 CA SER A 90 11.115 11.837 23.152 1.00 0.00 C ATOM 1394 C SER A 90 11.299 13.283 22.688 1.00 0.00 C ATOM 1395 O SER A 90 10.804 13.667 21.630 1.00 0.00 O ATOM 1396 CB SER A 90 11.078 10.894 21.949 1.00 0.00 C ATOM 1397 OG SER A 90 12.384 10.599 21.461 1.00 0.00 O ATOM 0 H SER A 90 10.007 11.184 24.806 1.00 0.00 H new ATOM 0 HA SER A 90 11.962 11.552 23.776 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.578 9.967 22.230 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.487 11.346 21.152 1.00 0.00 H new ATOM 0 HG SER A 90 12.317 9.993 20.694 1.00 0.00 H new ATOM 1403 N GLY A 91 12.013 14.046 23.503 1.00 0.00 N ATOM 1404 CA GLY A 91 12.269 15.442 23.189 1.00 0.00 C ATOM 1405 C GLY A 91 11.755 16.357 24.302 1.00 0.00 C ATOM 1406 O GLY A 91 11.206 17.424 24.029 1.00 0.00 O ATOM 0 H GLY A 91 12.422 13.724 24.380 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.339 15.597 23.051 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.785 15.701 22.247 1.00 0.00 H new TER 1410 GLY A 91