USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 846 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 66 SER OG : rot -133:sc= 1 USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -88:sc= 0.348 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.0838 K(o=0.26,f=-0.61) USER MOD Set 3.1: A 22 TYR OH : rot 65:sc= 2.03 USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0.339 USER MOD Set 4.1: A 48 SER OG : rot 117:sc= -0.357 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 51 CYS SG : rot 102:sc= 0.0225 USER MOD Set 5.1: A 38 GLN : amide:sc= -0.507 X(o=-0.75,f=-0.76) USER MOD Set 5.2: A 42 MET CE :methyl 139:sc= -0.244 (180deg=-1.01) 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 2:sc= 0.439 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 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.116 USER MOD Single : A 15 SER OG : rot 32:sc= 0.948 USER MOD Single : A 16 SER OG : rot 180:sc=0.000898 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.607 K(o=-0.61,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.174 X(o=-0.17,f=-0.48) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 92:sc= 0.864 USER MOD Single : A 62 ASN : amide:sc= 1.02 K(o=1,f=-0.16) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.005) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.79 K(o=-0.79,f=-6.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0983 K(o=-0.098,f=-1.4) USER MOD Single : A 87 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-8.7!) USER MOD Single : A 95 TYR OH : rot 130:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= -0.232 (180deg=-1.09) USER MOD Single : A 98 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-0.55) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -40:sc= 0.136 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.699 17.698 -25.426 1.00 0.00 N ATOM 2 CA GLY A 1 8.773 18.379 -24.147 1.00 0.00 C ATOM 3 C GLY A 1 7.862 17.759 -23.106 1.00 0.00 C ATOM 4 O GLY A 1 8.119 16.655 -22.625 1.00 0.00 O ATOM 0 H1 GLY A 1 9.340 18.160 -26.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.980 16.704 -25.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.725 17.742 -25.787 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.801 18.356 -23.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.506 19.427 -24.281 1.00 0.00 H new ATOM 8 N SER A 2 6.795 18.470 -22.756 1.00 0.00 N ATOM 9 CA SER A 2 5.846 17.985 -21.761 1.00 0.00 C ATOM 10 C SER A 2 4.417 18.064 -22.290 1.00 0.00 C ATOM 11 O SER A 2 4.076 18.964 -23.057 1.00 0.00 O ATOM 12 CB SER A 2 5.969 18.795 -20.469 1.00 0.00 C ATOM 13 OG SER A 2 5.730 20.172 -20.706 1.00 0.00 O ATOM 0 H SER A 2 6.566 19.384 -23.147 1.00 0.00 H new ATOM 0 HA SER A 2 6.080 16.942 -21.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.258 18.421 -19.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.965 18.663 -20.047 1.00 0.00 H new ATOM 0 HG SER A 2 5.813 20.668 -19.865 1.00 0.00 H new ATOM 19 N SER A 3 3.585 17.115 -21.873 1.00 0.00 N ATOM 20 CA SER A 3 2.193 17.073 -22.306 1.00 0.00 C ATOM 21 C SER A 3 1.334 16.312 -21.302 1.00 0.00 C ATOM 22 O SER A 3 1.744 15.279 -20.774 1.00 0.00 O ATOM 23 CB SER A 3 2.086 16.419 -23.685 1.00 0.00 C ATOM 24 OG SER A 3 2.743 17.197 -24.671 1.00 0.00 O ATOM 0 H SER A 3 3.851 16.364 -21.235 1.00 0.00 H new ATOM 0 HA SER A 3 1.826 18.098 -22.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.524 15.421 -23.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.036 16.298 -23.953 1.00 0.00 H new ATOM 0 HG SER A 3 3.158 17.978 -24.249 1.00 0.00 H new ATOM 30 N GLY A 4 0.137 16.831 -21.043 1.00 0.00 N ATOM 31 CA GLY A 4 -0.762 16.188 -20.103 1.00 0.00 C ATOM 32 C GLY A 4 -2.052 16.962 -19.913 1.00 0.00 C ATOM 33 O GLY A 4 -2.281 17.972 -20.579 1.00 0.00 O ATOM 0 H GLY A 4 -0.225 17.685 -21.467 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.993 15.183 -20.456 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.261 16.081 -19.141 1.00 0.00 H new ATOM 37 N SER A 5 -2.897 16.487 -19.004 1.00 0.00 N ATOM 38 CA SER A 5 -4.174 17.138 -18.733 1.00 0.00 C ATOM 39 C SER A 5 -4.162 17.805 -17.360 1.00 0.00 C ATOM 40 O SER A 5 -3.185 17.707 -16.619 1.00 0.00 O ATOM 41 CB SER A 5 -5.315 16.122 -18.810 1.00 0.00 C ATOM 42 OG SER A 5 -5.377 15.334 -17.633 1.00 0.00 O ATOM 0 H SER A 5 -2.721 15.654 -18.443 1.00 0.00 H new ATOM 0 HA SER A 5 -4.331 17.907 -19.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.261 16.644 -18.952 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.173 15.476 -19.677 1.00 0.00 H new ATOM 0 HG SER A 5 -6.115 14.694 -17.706 1.00 0.00 H new ATOM 48 N SER A 6 -5.257 18.482 -17.030 1.00 0.00 N ATOM 49 CA SER A 6 -5.373 19.169 -15.749 1.00 0.00 C ATOM 50 C SER A 6 -6.060 18.280 -14.716 1.00 0.00 C ATOM 51 O SER A 6 -6.922 17.469 -15.054 1.00 0.00 O ATOM 52 CB SER A 6 -6.154 20.474 -15.915 1.00 0.00 C ATOM 53 OG SER A 6 -5.292 21.542 -16.271 1.00 0.00 O ATOM 0 H SER A 6 -6.076 18.570 -17.632 1.00 0.00 H new ATOM 0 HA SER A 6 -4.368 19.398 -15.395 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.919 20.349 -16.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.670 20.713 -14.985 1.00 0.00 H new ATOM 0 HG SER A 6 -5.815 22.364 -16.373 1.00 0.00 H new ATOM 59 N GLY A 7 -5.672 18.440 -13.455 1.00 0.00 N ATOM 60 CA GLY A 7 -6.259 17.646 -12.391 1.00 0.00 C ATOM 61 C GLY A 7 -6.406 18.425 -11.100 1.00 0.00 C ATOM 62 O GLY A 7 -5.779 19.469 -10.922 1.00 0.00 O ATOM 0 H GLY A 7 -4.961 19.105 -13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.238 17.286 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.639 16.767 -12.213 1.00 0.00 H new ATOM 66 N MET A 8 -7.238 17.918 -10.196 1.00 0.00 N ATOM 67 CA MET A 8 -7.466 18.574 -8.914 1.00 0.00 C ATOM 68 C MET A 8 -7.166 17.627 -7.757 1.00 0.00 C ATOM 69 O MET A 8 -6.300 17.900 -6.927 1.00 0.00 O ATOM 70 CB MET A 8 -8.910 19.071 -8.820 1.00 0.00 C ATOM 71 CG MET A 8 -9.245 19.719 -7.487 1.00 0.00 C ATOM 72 SD MET A 8 -9.623 18.510 -6.203 1.00 0.00 S ATOM 73 CE MET A 8 -11.403 18.389 -6.367 1.00 0.00 C ATOM 0 H MET A 8 -7.765 17.055 -10.328 1.00 0.00 H new ATOM 0 HA MET A 8 -6.791 19.427 -8.846 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.091 19.790 -9.619 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.586 18.232 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.405 20.334 -7.165 1.00 0.00 H new ATOM 0 HG3 MET A 8 -10.098 20.386 -7.615 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.788 17.676 -5.637 1.00 0.00 H new ATOM 0 HE2 MET A 8 -11.852 19.367 -6.191 1.00 0.00 H new ATOM 0 HE3 MET A 8 -11.654 18.050 -7.372 1.00 0.00 H new ATOM 83 N SER A 9 -7.889 16.512 -7.708 1.00 0.00 N ATOM 84 CA SER A 9 -7.703 15.526 -6.650 1.00 0.00 C ATOM 85 C SER A 9 -6.233 15.428 -6.252 1.00 0.00 C ATOM 86 O SER A 9 -5.341 15.646 -7.071 1.00 0.00 O ATOM 87 CB SER A 9 -8.212 14.157 -7.105 1.00 0.00 C ATOM 88 OG SER A 9 -7.909 13.156 -6.148 1.00 0.00 O ATOM 0 H SER A 9 -8.609 16.269 -8.389 1.00 0.00 H new ATOM 0 HA SER A 9 -8.276 15.849 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.290 14.200 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.761 13.898 -8.063 1.00 0.00 H new ATOM 0 HG SER A 9 -8.246 12.291 -6.462 1.00 0.00 H new ATOM 94 N SER A 10 -5.990 15.097 -4.988 1.00 0.00 N ATOM 95 CA SER A 10 -4.630 14.973 -4.478 1.00 0.00 C ATOM 96 C SER A 10 -4.059 13.592 -4.784 1.00 0.00 C ATOM 97 O SER A 10 -2.931 13.467 -5.262 1.00 0.00 O ATOM 98 CB SER A 10 -4.603 15.226 -2.969 1.00 0.00 C ATOM 99 OG SER A 10 -5.287 14.201 -2.268 1.00 0.00 O ATOM 0 H SER A 10 -6.718 14.910 -4.298 1.00 0.00 H new ATOM 0 HA SER A 10 -4.012 15.721 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.570 15.280 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.063 16.190 -2.750 1.00 0.00 H new ATOM 0 HG SER A 10 -5.254 14.385 -1.306 1.00 0.00 H new ATOM 105 N ALA A 11 -4.845 12.558 -4.505 1.00 0.00 N ATOM 106 CA ALA A 11 -4.420 11.186 -4.753 1.00 0.00 C ATOM 107 C ALA A 11 -4.948 10.680 -6.091 1.00 0.00 C ATOM 108 O ALA A 11 -6.080 10.207 -6.184 1.00 0.00 O ATOM 109 CB ALA A 11 -4.884 10.278 -3.623 1.00 0.00 C ATOM 0 H ALA A 11 -5.780 12.644 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.331 11.171 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.560 9.256 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.453 10.619 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.972 10.307 -3.556 1.00 0.00 H new ATOM 115 N ARG A 12 -4.120 10.785 -7.125 1.00 0.00 N ATOM 116 CA ARG A 12 -4.504 10.340 -8.460 1.00 0.00 C ATOM 117 C ARG A 12 -3.716 9.098 -8.866 1.00 0.00 C ATOM 118 O ARG A 12 -2.567 9.193 -9.300 1.00 0.00 O ATOM 119 CB ARG A 12 -4.277 11.458 -9.479 1.00 0.00 C ATOM 120 CG ARG A 12 -5.212 11.390 -10.675 1.00 0.00 C ATOM 121 CD ARG A 12 -4.660 10.482 -11.763 1.00 0.00 C ATOM 122 NE ARG A 12 -3.805 11.207 -12.700 1.00 0.00 N ATOM 123 CZ ARG A 12 -3.302 10.667 -13.804 1.00 0.00 C ATOM 124 NH1 ARG A 12 -3.567 9.405 -14.109 1.00 0.00 N ATOM 125 NH2 ARG A 12 -2.533 11.392 -14.607 1.00 0.00 N ATOM 0 H ARG A 12 -3.179 11.174 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.564 10.086 -8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.403 12.421 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.246 11.414 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.188 11.025 -10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.363 12.392 -11.077 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.091 9.672 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.486 10.024 -12.306 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.582 12.181 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.159 8.845 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.179 8.993 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.328 12.364 -14.376 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.147 10.977 -15.455 1.00 0.00 H new ATOM 139 N PHE A 13 -4.340 7.934 -8.724 1.00 0.00 N ATOM 140 CA PHE A 13 -3.697 6.673 -9.075 1.00 0.00 C ATOM 141 C PHE A 13 -4.696 5.521 -9.025 1.00 0.00 C ATOM 142 O PHE A 13 -5.719 5.600 -8.344 1.00 0.00 O ATOM 143 CB PHE A 13 -2.529 6.391 -8.128 1.00 0.00 C ATOM 144 CG PHE A 13 -2.960 6.004 -6.742 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.351 6.970 -5.829 1.00 0.00 C ATOM 146 CD2 PHE A 13 -2.976 4.675 -6.353 1.00 0.00 C ATOM 147 CE1 PHE A 13 -3.748 6.617 -4.553 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.372 4.315 -5.078 1.00 0.00 C ATOM 149 CZ PHE A 13 -3.759 5.288 -4.178 1.00 0.00 C ATOM 0 H PHE A 13 -5.291 7.837 -8.368 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.318 6.758 -10.093 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.918 5.591 -8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.897 7.277 -8.069 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.346 8.011 -6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.676 3.910 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.049 7.380 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.379 3.275 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.070 5.010 -3.182 1.00 0.00 H new ATOM 159 N ASP A 14 -4.393 4.451 -9.752 1.00 0.00 N ATOM 160 CA ASP A 14 -5.263 3.281 -9.791 1.00 0.00 C ATOM 161 C ASP A 14 -4.809 2.233 -8.781 1.00 0.00 C ATOM 162 O ASP A 14 -3.864 1.485 -9.029 1.00 0.00 O ATOM 163 CB ASP A 14 -5.280 2.679 -11.197 1.00 0.00 C ATOM 164 CG ASP A 14 -6.161 3.461 -12.151 1.00 0.00 C ATOM 165 OD1 ASP A 14 -6.178 4.706 -12.058 1.00 0.00 O ATOM 166 OD2 ASP A 14 -6.833 2.827 -12.992 1.00 0.00 O ATOM 0 H ASP A 14 -3.551 4.370 -10.322 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.272 3.599 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.263 2.649 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.632 1.649 -11.144 1.00 0.00 H new ATOM 171 N SER A 15 -5.490 2.184 -7.640 1.00 0.00 N ATOM 172 CA SER A 15 -5.154 1.231 -6.589 1.00 0.00 C ATOM 173 C SER A 15 -5.315 -0.203 -7.085 1.00 0.00 C ATOM 174 O SER A 15 -4.909 -1.153 -6.415 1.00 0.00 O ATOM 175 CB SER A 15 -6.038 1.460 -5.362 1.00 0.00 C ATOM 176 OG SER A 15 -5.528 2.507 -4.554 1.00 0.00 O ATOM 0 H SER A 15 -6.278 2.793 -7.420 1.00 0.00 H new ATOM 0 HA SER A 15 -4.112 1.387 -6.311 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.052 1.703 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.099 0.542 -4.777 1.00 0.00 H new ATOM 0 HG SER A 15 -5.087 3.173 -5.122 1.00 0.00 H new ATOM 182 N SER A 16 -5.911 -0.351 -8.264 1.00 0.00 N ATOM 183 CA SER A 16 -6.129 -1.669 -8.850 1.00 0.00 C ATOM 184 C SER A 16 -4.947 -2.078 -9.723 1.00 0.00 C ATOM 185 O SER A 16 -4.672 -3.266 -9.897 1.00 0.00 O ATOM 186 CB SER A 16 -7.415 -1.675 -9.678 1.00 0.00 C ATOM 187 OG SER A 16 -7.409 -0.632 -10.637 1.00 0.00 O ATOM 0 H SER A 16 -6.251 0.425 -8.832 1.00 0.00 H new ATOM 0 HA SER A 16 -6.224 -2.389 -8.038 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.522 -2.636 -10.182 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.276 -1.562 -9.019 1.00 0.00 H new ATOM 0 HG SER A 16 -8.241 -0.659 -11.154 1.00 0.00 H new ATOM 193 N ASP A 17 -4.251 -1.087 -10.268 1.00 0.00 N ATOM 194 CA ASP A 17 -3.097 -1.342 -11.122 1.00 0.00 C ATOM 195 C ASP A 17 -1.888 -1.760 -10.291 1.00 0.00 C ATOM 196 O ASP A 17 -1.126 -0.917 -9.819 1.00 0.00 O ATOM 197 CB ASP A 17 -2.760 -0.098 -11.946 1.00 0.00 C ATOM 198 CG ASP A 17 -1.741 -0.381 -13.032 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.858 -1.432 -13.696 1.00 0.00 O ATOM 200 OD2 ASP A 17 -0.825 0.447 -13.217 1.00 0.00 O ATOM 0 H ASP A 17 -4.466 -0.099 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.350 -2.158 -11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.671 0.291 -12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.376 0.679 -11.285 1.00 0.00 H new ATOM 205 N ARG A 18 -1.720 -3.067 -10.117 1.00 0.00 N ATOM 206 CA ARG A 18 -0.605 -3.597 -9.341 1.00 0.00 C ATOM 207 C ARG A 18 0.730 -3.182 -9.954 1.00 0.00 C ATOM 208 O ARG A 18 1.716 -2.985 -9.244 1.00 0.00 O ATOM 209 CB ARG A 18 -0.690 -5.122 -9.263 1.00 0.00 C ATOM 210 CG ARG A 18 -1.471 -5.628 -8.061 1.00 0.00 C ATOM 211 CD ARG A 18 -2.144 -6.959 -8.354 1.00 0.00 C ATOM 212 NE ARG A 18 -1.213 -8.079 -8.244 1.00 0.00 N ATOM 213 CZ ARG A 18 -1.435 -9.275 -8.779 1.00 0.00 C ATOM 214 NH1 ARG A 18 -2.551 -9.504 -9.457 1.00 0.00 N ATOM 215 NH2 ARG A 18 -0.539 -10.243 -8.636 1.00 0.00 N ATOM 0 H ARG A 18 -2.341 -3.778 -10.503 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.667 -3.184 -8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.157 -5.498 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.319 -5.532 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.799 -5.738 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.224 -4.892 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.972 -7.107 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.568 -6.937 -9.358 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.345 -7.935 -7.728 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.241 -8.761 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.719 -10.423 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.321 -10.069 -8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.710 -11.161 -9.047 1.00 0.00 H new ATOM 229 N SER A 19 0.753 -3.052 -11.277 1.00 0.00 N ATOM 230 CA SER A 19 1.967 -2.665 -11.986 1.00 0.00 C ATOM 231 C SER A 19 2.251 -1.177 -11.804 1.00 0.00 C ATOM 232 O SER A 19 3.135 -0.619 -12.454 1.00 0.00 O ATOM 233 CB SER A 19 1.840 -2.993 -13.475 1.00 0.00 C ATOM 234 OG SER A 19 3.109 -3.248 -14.051 1.00 0.00 O ATOM 0 H SER A 19 -0.055 -3.209 -11.879 1.00 0.00 H new ATOM 0 HA SER A 19 2.799 -3.230 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.197 -3.863 -13.605 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.362 -2.162 -13.994 1.00 0.00 H new ATOM 0 HG SER A 19 3.000 -3.457 -15.002 1.00 0.00 H new ATOM 240 N ALA A 20 1.495 -0.541 -10.915 1.00 0.00 N ATOM 241 CA ALA A 20 1.666 0.881 -10.645 1.00 0.00 C ATOM 242 C ALA A 20 1.995 1.126 -9.176 1.00 0.00 C ATOM 243 O ALA A 20 2.622 2.126 -8.829 1.00 0.00 O ATOM 244 CB ALA A 20 0.414 1.648 -11.043 1.00 0.00 C ATOM 0 H ALA A 20 0.758 -0.988 -10.370 1.00 0.00 H new ATOM 0 HA ALA A 20 2.504 1.240 -11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.556 2.709 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.225 1.508 -12.107 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.437 1.277 -10.471 1.00 0.00 H new ATOM 250 N TRP A 21 1.566 0.207 -8.318 1.00 0.00 N ATOM 251 CA TRP A 21 1.815 0.324 -6.886 1.00 0.00 C ATOM 252 C TRP A 21 2.417 -0.963 -6.331 1.00 0.00 C ATOM 253 O TRP A 21 3.317 -0.926 -5.492 1.00 0.00 O ATOM 254 CB TRP A 21 0.517 0.654 -6.148 1.00 0.00 C ATOM 255 CG TRP A 21 -0.608 -0.280 -6.478 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.570 -0.100 -7.430 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.888 -1.538 -5.854 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.432 -1.171 -7.436 1.00 0.00 N ATOM 259 CE2 TRP A 21 -2.034 -2.067 -6.480 1.00 0.00 C ATOM 260 CE3 TRP A 21 -0.282 -2.271 -4.830 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.584 -3.293 -6.112 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.828 -3.486 -4.467 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.969 -3.988 -5.106 1.00 0.00 C ATOM 0 H TRP A 21 1.044 -0.627 -8.589 1.00 0.00 H new ATOM 0 HA TRP A 21 2.529 1.133 -6.731 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.701 0.625 -5.074 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.217 1.673 -6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.643 0.758 -8.082 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.237 -1.280 -8.052 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.598 -1.893 -4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.464 -3.681 -6.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.367 -4.060 -3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.371 -4.942 -4.799 1.00 0.00 H new ATOM 274 N TYR A 22 1.915 -2.098 -6.805 1.00 0.00 N ATOM 275 CA TYR A 22 2.403 -3.396 -6.354 1.00 0.00 C ATOM 276 C TYR A 22 3.778 -3.696 -6.942 1.00 0.00 C ATOM 277 O TYR A 22 3.893 -4.132 -8.087 1.00 0.00 O ATOM 278 CB TYR A 22 1.417 -4.498 -6.744 1.00 0.00 C ATOM 279 CG TYR A 22 1.747 -5.846 -6.144 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.197 -5.955 -4.834 1.00 0.00 C ATOM 281 CD2 TYR A 22 1.608 -7.012 -6.888 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.501 -7.184 -4.283 1.00 0.00 C ATOM 283 CE2 TYR A 22 1.908 -8.246 -6.344 1.00 0.00 C ATOM 284 CZ TYR A 22 2.354 -8.327 -5.041 1.00 0.00 C ATOM 285 OH TYR A 22 2.654 -9.554 -4.495 1.00 0.00 O ATOM 0 H TYR A 22 1.171 -2.145 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 22 2.492 -3.365 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.415 -4.205 -6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.397 -4.588 -7.830 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.311 -5.063 -4.236 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.260 -6.952 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.852 -7.250 -3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.794 -9.142 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 22 2.028 -9.750 -3.767 1.00 0.00 H new ATOM 295 N MET A 23 4.818 -3.459 -6.150 1.00 0.00 N ATOM 296 CA MET A 23 6.186 -3.705 -6.591 1.00 0.00 C ATOM 297 C MET A 23 6.658 -5.088 -6.152 1.00 0.00 C ATOM 298 O MET A 23 7.857 -5.356 -6.095 1.00 0.00 O ATOM 299 CB MET A 23 7.125 -2.633 -6.035 1.00 0.00 C ATOM 300 CG MET A 23 6.537 -1.232 -6.072 1.00 0.00 C ATOM 301 SD MET A 23 6.964 -0.339 -7.580 1.00 0.00 S ATOM 302 CE MET A 23 6.394 1.309 -7.171 1.00 0.00 C ATOM 0 H MET A 23 4.740 -3.097 -5.200 1.00 0.00 H new ATOM 0 HA MET A 23 6.203 -3.663 -7.680 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.380 -2.884 -5.005 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.054 -2.644 -6.606 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.452 -1.295 -5.987 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.893 -0.670 -5.208 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.589 1.980 -8.008 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.323 1.284 -6.968 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.922 1.668 -6.288 1.00 0.00 H new ATOM 312 N GLY A 24 5.706 -5.963 -5.843 1.00 0.00 N ATOM 313 CA GLY A 24 6.045 -7.307 -5.413 1.00 0.00 C ATOM 314 C GLY A 24 7.535 -7.575 -5.471 1.00 0.00 C ATOM 315 O GLY A 24 8.210 -7.677 -4.446 1.00 0.00 O ATOM 0 H GLY A 24 4.706 -5.765 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.691 -7.459 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.524 -8.029 -6.042 1.00 0.00 H new ATOM 319 N PRO A 25 8.072 -7.696 -6.694 1.00 0.00 N ATOM 320 CA PRO A 25 9.498 -7.957 -6.911 1.00 0.00 C ATOM 321 C PRO A 25 10.369 -6.762 -6.540 1.00 0.00 C ATOM 322 O PRO A 25 10.899 -6.073 -7.412 1.00 0.00 O ATOM 323 CB PRO A 25 9.583 -8.235 -8.414 1.00 0.00 C ATOM 324 CG PRO A 25 8.413 -7.520 -8.998 1.00 0.00 C ATOM 325 CD PRO A 25 7.327 -7.586 -7.960 1.00 0.00 C ATOM 0 HA PRO A 25 9.861 -8.776 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.520 -7.868 -8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.538 -9.304 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.665 -6.486 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.093 -7.990 -9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.697 -6.696 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.672 -8.443 -8.117 1.00 0.00 H new ATOM 333 N VAL A 26 10.515 -6.523 -5.241 1.00 0.00 N ATOM 334 CA VAL A 26 11.324 -5.411 -4.754 1.00 0.00 C ATOM 335 C VAL A 26 12.101 -5.804 -3.503 1.00 0.00 C ATOM 336 O VAL A 26 11.737 -6.750 -2.804 1.00 0.00 O ATOM 337 CB VAL A 26 10.454 -4.180 -4.439 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.132 -3.299 -3.401 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.164 -3.394 -5.709 1.00 0.00 C ATOM 0 H VAL A 26 10.084 -7.084 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 26 12.025 -5.157 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 26 9.505 -4.523 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.503 -2.434 -3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.284 -3.868 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.096 -2.962 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.548 -2.528 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.102 -3.060 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.634 -4.030 -6.418 1.00 0.00 H new ATOM 349 N SER A 27 13.175 -5.071 -3.226 1.00 0.00 N ATOM 350 CA SER A 27 14.007 -5.345 -2.060 1.00 0.00 C ATOM 351 C SER A 27 13.878 -4.230 -1.027 1.00 0.00 C ATOM 352 O SER A 27 13.953 -3.048 -1.361 1.00 0.00 O ATOM 353 CB SER A 27 15.471 -5.502 -2.477 1.00 0.00 C ATOM 354 OG SER A 27 15.642 -6.626 -3.323 1.00 0.00 O ATOM 0 H SER A 27 13.489 -4.283 -3.793 1.00 0.00 H new ATOM 0 HA SER A 27 13.663 -6.276 -1.610 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.804 -4.601 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.095 -5.612 -1.590 1.00 0.00 H new ATOM 0 HG SER A 27 16.585 -6.704 -3.577 1.00 0.00 H new ATOM 360 N ARG A 28 13.683 -4.617 0.230 1.00 0.00 N ATOM 361 CA ARG A 28 13.542 -3.651 1.313 1.00 0.00 C ATOM 362 C ARG A 28 14.434 -2.436 1.078 1.00 0.00 C ATOM 363 O ARG A 28 13.956 -1.302 1.035 1.00 0.00 O ATOM 364 CB ARG A 28 13.891 -4.301 2.653 1.00 0.00 C ATOM 365 CG ARG A 28 13.277 -3.595 3.851 1.00 0.00 C ATOM 366 CD ARG A 28 11.767 -3.772 3.889 1.00 0.00 C ATOM 367 NE ARG A 28 11.239 -3.674 5.246 1.00 0.00 N ATOM 368 CZ ARG A 28 11.232 -4.685 6.107 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.724 -5.865 5.754 1.00 0.00 N ATOM 370 NH2 ARG A 28 10.734 -4.518 7.326 1.00 0.00 N ATOM 0 H ARG A 28 13.619 -5.592 0.523 1.00 0.00 H new ATOM 0 HA ARG A 28 12.504 -3.319 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.556 -5.338 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.975 -4.317 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.714 -3.988 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.519 -2.533 3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.297 -3.014 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.505 -4.742 3.467 1.00 0.00 H new ATOM 0 HE ARG A 28 10.854 -2.780 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.109 -5.998 4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.717 -6.640 6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.356 -3.612 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.729 -5.296 7.986 1.00 0.00 H new ATOM 384 N GLN A 29 15.732 -2.681 0.926 1.00 0.00 N ATOM 385 CA GLN A 29 16.690 -1.606 0.696 1.00 0.00 C ATOM 386 C GLN A 29 16.190 -0.653 -0.384 1.00 0.00 C ATOM 387 O GLN A 29 16.321 0.564 -0.259 1.00 0.00 O ATOM 388 CB GLN A 29 18.049 -2.183 0.295 1.00 0.00 C ATOM 389 CG GLN A 29 18.605 -3.183 1.296 1.00 0.00 C ATOM 390 CD GLN A 29 19.419 -2.521 2.391 1.00 0.00 C ATOM 391 OE1 GLN A 29 18.874 -2.077 3.402 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.730 -2.451 2.195 1.00 0.00 N ATOM 0 H GLN A 29 16.144 -3.614 0.958 1.00 0.00 H new ATOM 0 HA GLN A 29 16.800 -1.047 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.956 -2.668 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.761 -1.366 0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.781 -3.738 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.229 -3.907 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 29 21.139 -2.832 1.342 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.328 -2.016 2.897 1.00 0.00 H new ATOM 401 N GLU A 30 15.618 -1.215 -1.444 1.00 0.00 N ATOM 402 CA GLU A 30 15.100 -0.413 -2.547 1.00 0.00 C ATOM 403 C GLU A 30 13.916 0.435 -2.093 1.00 0.00 C ATOM 404 O GLU A 30 13.999 1.662 -2.047 1.00 0.00 O ATOM 405 CB GLU A 30 14.680 -1.315 -3.709 1.00 0.00 C ATOM 406 CG GLU A 30 14.492 -0.571 -5.020 1.00 0.00 C ATOM 407 CD GLU A 30 14.798 -1.433 -6.229 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.456 -2.633 -6.205 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.379 -0.905 -7.201 1.00 0.00 O ATOM 0 H GLU A 30 15.501 -2.221 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 30 15.894 0.253 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.433 -2.091 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.748 -1.818 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.465 -0.212 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.138 0.307 -5.031 1.00 0.00 H new ATOM 416 N ALA A 31 12.814 -0.229 -1.758 1.00 0.00 N ATOM 417 CA ALA A 31 11.613 0.463 -1.307 1.00 0.00 C ATOM 418 C ALA A 31 11.967 1.697 -0.485 1.00 0.00 C ATOM 419 O ALA A 31 11.235 2.686 -0.487 1.00 0.00 O ATOM 420 CB ALA A 31 10.734 -0.479 -0.497 1.00 0.00 C ATOM 0 H ALA A 31 12.729 -1.245 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 31 11.060 0.791 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.841 0.051 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.444 -1.328 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.287 -0.835 0.372 1.00 0.00 H new ATOM 426 N GLN A 32 13.093 1.632 0.219 1.00 0.00 N ATOM 427 CA GLN A 32 13.542 2.745 1.047 1.00 0.00 C ATOM 428 C GLN A 32 14.064 3.889 0.184 1.00 0.00 C ATOM 429 O GLN A 32 13.604 5.026 0.296 1.00 0.00 O ATOM 430 CB GLN A 32 14.632 2.281 2.014 1.00 0.00 C ATOM 431 CG GLN A 32 14.093 1.784 3.346 1.00 0.00 C ATOM 432 CD GLN A 32 15.061 2.014 4.490 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.530 1.066 5.121 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.366 3.277 4.763 1.00 0.00 N ATOM 0 H GLN A 32 13.711 0.820 0.232 1.00 0.00 H new ATOM 0 HA GLN A 32 12.688 3.107 1.620 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.207 1.483 1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.320 3.106 2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.152 2.289 3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.873 0.719 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.954 4.031 4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.013 3.493 5.522 1.00 0.00 H new ATOM 443 N THR A 33 15.030 3.582 -0.677 1.00 0.00 N ATOM 444 CA THR A 33 15.616 4.584 -1.557 1.00 0.00 C ATOM 445 C THR A 33 14.555 5.224 -2.445 1.00 0.00 C ATOM 446 O THR A 33 14.718 6.354 -2.906 1.00 0.00 O ATOM 447 CB THR A 33 16.716 3.975 -2.448 1.00 0.00 C ATOM 448 OG1 THR A 33 17.536 5.015 -2.993 1.00 0.00 O ATOM 449 CG2 THR A 33 16.106 3.159 -3.577 1.00 0.00 C ATOM 0 H THR A 33 15.423 2.647 -0.783 1.00 0.00 H new ATOM 0 HA THR A 33 16.058 5.347 -0.917 1.00 0.00 H new ATOM 0 HB THR A 33 17.328 3.315 -1.833 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.234 4.620 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 33 16.901 2.739 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.506 2.351 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.474 3.801 -4.190 1.00 0.00 H new ATOM 457 N ARG A 34 13.469 4.496 -2.680 1.00 0.00 N ATOM 458 CA ARG A 34 12.381 4.993 -3.514 1.00 0.00 C ATOM 459 C ARG A 34 11.505 5.972 -2.737 1.00 0.00 C ATOM 460 O ARG A 34 10.883 6.862 -3.319 1.00 0.00 O ATOM 461 CB ARG A 34 11.532 3.830 -4.029 1.00 0.00 C ATOM 462 CG ARG A 34 12.352 2.661 -4.549 1.00 0.00 C ATOM 463 CD ARG A 34 11.631 1.930 -5.671 1.00 0.00 C ATOM 464 NE ARG A 34 11.962 2.479 -6.983 1.00 0.00 N ATOM 465 CZ ARG A 34 11.498 1.984 -8.125 1.00 0.00 C ATOM 466 NH1 ARG A 34 10.686 0.936 -8.116 1.00 0.00 N ATOM 467 NH2 ARG A 34 11.844 2.538 -9.279 1.00 0.00 N ATOM 0 H ARG A 34 13.319 3.560 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 34 12.818 5.518 -4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.885 3.480 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.883 4.191 -4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.315 3.022 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.556 1.967 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.895 0.873 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.555 1.994 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 34 12.583 3.287 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.416 0.508 -7.231 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.331 0.558 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.467 3.345 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.487 2.157 -10.155 1.00 0.00 H new ATOM 481 N LEU A 35 11.461 5.802 -1.420 1.00 0.00 N ATOM 482 CA LEU A 35 10.661 6.669 -0.563 1.00 0.00 C ATOM 483 C LEU A 35 11.548 7.453 0.398 1.00 0.00 C ATOM 484 O LEU A 35 11.056 8.106 1.319 1.00 0.00 O ATOM 485 CB LEU A 35 9.642 5.843 0.224 1.00 0.00 C ATOM 486 CG LEU A 35 8.797 4.864 -0.593 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.192 3.800 0.309 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.706 5.606 -1.352 1.00 0.00 C ATOM 0 H LEU A 35 11.970 5.071 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 35 10.131 7.378 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.175 5.280 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.970 6.528 0.741 1.00 0.00 H new ATOM 0 HG LEU A 35 9.445 4.371 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.594 3.113 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.990 3.248 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.558 4.275 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.115 4.894 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.060 6.126 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.161 6.330 -2.028 1.00 0.00 H new ATOM 500 N GLN A 36 12.857 7.385 0.177 1.00 0.00 N ATOM 501 CA GLN A 36 13.812 8.090 1.023 1.00 0.00 C ATOM 502 C GLN A 36 13.956 9.544 0.588 1.00 0.00 C ATOM 503 O GLN A 36 14.433 9.829 -0.510 1.00 0.00 O ATOM 504 CB GLN A 36 15.174 7.394 0.980 1.00 0.00 C ATOM 505 CG GLN A 36 16.292 8.205 1.616 1.00 0.00 C ATOM 506 CD GLN A 36 16.321 8.075 3.126 1.00 0.00 C ATOM 507 OE1 GLN A 36 17.251 7.501 3.693 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.300 8.609 3.786 1.00 0.00 N ATOM 0 H GLN A 36 13.280 6.849 -0.581 1.00 0.00 H new ATOM 0 HA GLN A 36 13.435 8.073 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.098 6.433 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.433 7.185 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.249 7.879 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.172 9.255 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.551 9.076 3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.265 8.553 4.804 1.00 0.00 H new ATOM 517 N GLY A 37 13.539 10.461 1.456 1.00 0.00 N ATOM 518 CA GLY A 37 13.630 11.875 1.142 1.00 0.00 C ATOM 519 C GLY A 37 12.727 12.272 -0.009 1.00 0.00 C ATOM 520 O GLY A 37 12.880 13.351 -0.582 1.00 0.00 O ATOM 0 H GLY A 37 13.140 10.250 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.366 12.458 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.662 12.123 0.893 1.00 0.00 H new ATOM 524 N GLN A 38 11.785 11.398 -0.349 1.00 0.00 N ATOM 525 CA GLN A 38 10.856 11.664 -1.441 1.00 0.00 C ATOM 526 C GLN A 38 9.660 12.475 -0.954 1.00 0.00 C ATOM 527 O GLN A 38 9.385 12.534 0.244 1.00 0.00 O ATOM 528 CB GLN A 38 10.377 10.350 -2.062 1.00 0.00 C ATOM 529 CG GLN A 38 11.416 9.682 -2.949 1.00 0.00 C ATOM 530 CD GLN A 38 12.251 10.682 -3.724 1.00 0.00 C ATOM 531 OE1 GLN A 38 13.461 10.787 -3.519 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.610 11.422 -4.620 1.00 0.00 N ATOM 0 H GLN A 38 11.645 10.501 0.115 1.00 0.00 H new ATOM 0 HA GLN A 38 11.382 12.246 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.096 9.662 -1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.479 10.541 -2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.072 9.066 -2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.915 9.013 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.606 11.301 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.121 12.111 -5.172 1.00 0.00 H new ATOM 541 N ARG A 39 8.954 13.100 -1.891 1.00 0.00 N ATOM 542 CA ARG A 39 7.788 13.909 -1.556 1.00 0.00 C ATOM 543 C ARG A 39 6.871 13.168 -0.588 1.00 0.00 C ATOM 544 O ARG A 39 6.554 11.995 -0.791 1.00 0.00 O ATOM 545 CB ARG A 39 7.017 14.280 -2.824 1.00 0.00 C ATOM 546 CG ARG A 39 6.577 13.077 -3.643 1.00 0.00 C ATOM 547 CD ARG A 39 5.842 13.501 -4.905 1.00 0.00 C ATOM 548 NE ARG A 39 6.750 14.045 -5.910 1.00 0.00 N ATOM 549 CZ ARG A 39 6.434 14.174 -7.194 1.00 0.00 C ATOM 550 NH1 ARG A 39 5.237 13.799 -7.626 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.314 14.678 -8.049 1.00 0.00 N ATOM 0 H ARG A 39 9.169 13.062 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 39 8.137 14.821 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.138 14.862 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.642 14.922 -3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.448 12.480 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.929 12.442 -3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.312 12.644 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.090 14.249 -4.653 1.00 0.00 H new ATOM 0 HE ARG A 39 7.678 14.343 -5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.557 13.411 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.996 13.899 -8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.235 14.967 -7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.069 14.776 -9.034 1.00 0.00 H new ATOM 565 N HIS A 40 6.448 13.859 0.466 1.00 0.00 N ATOM 566 CA HIS A 40 5.567 13.266 1.465 1.00 0.00 C ATOM 567 C HIS A 40 4.302 12.714 0.816 1.00 0.00 C ATOM 568 O HIS A 40 3.592 13.429 0.109 1.00 0.00 O ATOM 569 CB HIS A 40 5.198 14.301 2.529 1.00 0.00 C ATOM 570 CG HIS A 40 6.179 14.374 3.658 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.158 15.372 4.610 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.214 13.566 3.986 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.138 15.175 5.473 1.00 0.00 C ATOM 574 NE2 HIS A 40 7.794 14.085 5.118 1.00 0.00 N ATOM 0 H HIS A 40 6.701 14.830 0.650 1.00 0.00 H new ATOM 0 HA HIS A 40 6.100 12.442 1.939 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.123 15.282 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.213 14.063 2.929 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.490 16.142 4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.526 12.678 3.456 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.365 15.799 6.325 1.00 0.00 H new ATOM 583 N GLY A 41 4.026 11.436 1.059 1.00 0.00 N ATOM 584 CA GLY A 41 2.847 10.810 0.490 1.00 0.00 C ATOM 585 C GLY A 41 3.178 9.556 -0.294 1.00 0.00 C ATOM 586 O GLY A 41 2.440 8.572 -0.244 1.00 0.00 O ATOM 0 H GLY A 41 4.598 10.823 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.150 10.561 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.342 11.521 -0.164 1.00 0.00 H new ATOM 590 N MET A 42 4.289 9.591 -1.022 1.00 0.00 N ATOM 591 CA MET A 42 4.716 8.448 -1.821 1.00 0.00 C ATOM 592 C MET A 42 4.465 7.140 -1.076 1.00 0.00 C ATOM 593 O MET A 42 4.653 7.060 0.138 1.00 0.00 O ATOM 594 CB MET A 42 6.199 8.570 -2.174 1.00 0.00 C ATOM 595 CG MET A 42 6.592 7.798 -3.423 1.00 0.00 C ATOM 596 SD MET A 42 8.215 8.271 -4.050 1.00 0.00 S ATOM 597 CE MET A 42 7.817 9.793 -4.906 1.00 0.00 C ATOM 0 H MET A 42 4.910 10.398 -1.075 1.00 0.00 H new ATOM 0 HA MET A 42 4.131 8.441 -2.741 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.445 9.622 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.795 8.213 -1.334 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.589 6.731 -3.202 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.844 7.965 -4.199 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.597 10.531 -4.718 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.749 9.601 -5.977 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.862 10.175 -4.545 1.00 0.00 H new ATOM 607 N PHE A 43 4.038 6.119 -1.811 1.00 0.00 N ATOM 608 CA PHE A 43 3.760 4.815 -1.219 1.00 0.00 C ATOM 609 C PHE A 43 4.053 3.694 -2.211 1.00 0.00 C ATOM 610 O PHE A 43 4.284 3.942 -3.396 1.00 0.00 O ATOM 611 CB PHE A 43 2.302 4.739 -0.762 1.00 0.00 C ATOM 612 CG PHE A 43 1.357 4.301 -1.844 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.200 2.957 -2.142 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.625 5.232 -2.563 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.331 2.550 -3.138 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.245 4.832 -3.560 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.393 3.489 -3.846 1.00 0.00 C ATOM 0 H PHE A 43 3.877 6.169 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 43 4.411 4.690 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.228 4.046 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.993 5.718 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.763 2.219 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.735 6.283 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.219 1.499 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.808 5.568 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.074 3.173 -4.622 1.00 0.00 H new ATOM 627 N LEU A 44 4.042 2.459 -1.720 1.00 0.00 N ATOM 628 CA LEU A 44 4.307 1.298 -2.563 1.00 0.00 C ATOM 629 C LEU A 44 4.112 0.003 -1.782 1.00 0.00 C ATOM 630 O LEU A 44 4.342 -0.047 -0.573 1.00 0.00 O ATOM 631 CB LEU A 44 5.730 1.362 -3.120 1.00 0.00 C ATOM 632 CG LEU A 44 6.850 1.001 -2.143 1.00 0.00 C ATOM 633 CD1 LEU A 44 6.965 -0.509 -1.997 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.172 1.596 -2.605 1.00 0.00 C ATOM 0 H LEU A 44 3.852 2.236 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 44 3.599 1.311 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.793 0.692 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.909 2.372 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 44 6.606 1.422 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.767 -0.747 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.024 -0.911 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.186 -0.953 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.958 1.329 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.422 1.204 -3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.084 2.681 -2.657 1.00 0.00 H new ATOM 646 N VAL A 45 3.687 -1.045 -2.480 1.00 0.00 N ATOM 647 CA VAL A 45 3.464 -2.343 -1.853 1.00 0.00 C ATOM 648 C VAL A 45 4.403 -3.399 -2.426 1.00 0.00 C ATOM 649 O VAL A 45 4.314 -3.750 -3.603 1.00 0.00 O ATOM 650 CB VAL A 45 2.009 -2.812 -2.037 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.776 -4.128 -1.311 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.040 -1.746 -1.547 1.00 0.00 C ATOM 0 H VAL A 45 3.490 -1.021 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 45 3.667 -2.220 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 45 1.830 -2.974 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.742 -4.444 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.446 -4.889 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.973 -3.996 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.016 -2.094 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.218 -1.551 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.191 -0.828 -2.116 1.00 0.00 H new ATOM 662 N ARG A 46 5.302 -3.901 -1.586 1.00 0.00 N ATOM 663 CA ARG A 46 6.258 -4.917 -2.009 1.00 0.00 C ATOM 664 C ARG A 46 6.029 -6.226 -1.258 1.00 0.00 C ATOM 665 O ARG A 46 5.267 -6.274 -0.293 1.00 0.00 O ATOM 666 CB ARG A 46 7.689 -4.428 -1.779 1.00 0.00 C ATOM 667 CG ARG A 46 7.834 -3.514 -0.573 1.00 0.00 C ATOM 668 CD ARG A 46 9.293 -3.329 -0.186 1.00 0.00 C ATOM 669 NE ARG A 46 9.739 -4.342 0.767 1.00 0.00 N ATOM 670 CZ ARG A 46 10.299 -5.492 0.408 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.481 -5.773 -0.875 1.00 0.00 N ATOM 672 NH2 ARG A 46 10.679 -6.364 1.334 1.00 0.00 N ATOM 0 H ARG A 46 5.388 -3.621 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 46 6.110 -5.099 -3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.343 -5.291 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.030 -3.899 -2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.390 -2.544 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.283 -3.932 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.914 -3.375 -1.081 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.430 -2.338 0.247 1.00 0.00 H new ATOM 0 HE ARG A 46 9.614 -4.156 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.191 -5.105 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.911 -6.657 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.541 -6.151 2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.109 -7.247 1.057 1.00 0.00 H new ATOM 686 N ASP A 47 6.694 -7.284 -1.708 1.00 0.00 N ATOM 687 CA ASP A 47 6.564 -8.593 -1.079 1.00 0.00 C ATOM 688 C ASP A 47 7.522 -8.727 0.101 1.00 0.00 C ATOM 689 O ASP A 47 8.741 -8.703 -0.071 1.00 0.00 O ATOM 690 CB ASP A 47 6.832 -9.702 -2.098 1.00 0.00 C ATOM 691 CG ASP A 47 6.365 -11.060 -1.612 1.00 0.00 C ATOM 692 OD1 ASP A 47 6.257 -11.246 -0.382 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.106 -11.937 -2.463 1.00 0.00 O ATOM 0 H ASP A 47 7.329 -7.261 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 47 5.544 -8.690 -0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.328 -9.461 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.900 -9.744 -2.313 1.00 0.00 H new ATOM 698 N SER A 48 6.962 -8.866 1.299 1.00 0.00 N ATOM 699 CA SER A 48 7.767 -8.998 2.508 1.00 0.00 C ATOM 700 C SER A 48 8.889 -10.011 2.305 1.00 0.00 C ATOM 701 O SER A 48 8.946 -10.695 1.283 1.00 0.00 O ATOM 702 CB SER A 48 6.889 -9.422 3.686 1.00 0.00 C ATOM 703 OG SER A 48 7.560 -9.225 4.919 1.00 0.00 O ATOM 0 H SER A 48 5.955 -8.890 1.458 1.00 0.00 H new ATOM 0 HA SER A 48 8.212 -8.027 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.962 -8.849 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.616 -10.472 3.581 1.00 0.00 H new ATOM 0 HG SER A 48 7.074 -8.563 5.454 1.00 0.00 H new ATOM 709 N SER A 49 9.781 -10.102 3.287 1.00 0.00 N ATOM 710 CA SER A 49 10.905 -11.028 3.216 1.00 0.00 C ATOM 711 C SER A 49 10.835 -12.054 4.343 1.00 0.00 C ATOM 712 O SER A 49 10.799 -13.261 4.100 1.00 0.00 O ATOM 713 CB SER A 49 12.228 -10.264 3.288 1.00 0.00 C ATOM 714 OG SER A 49 13.332 -11.151 3.246 1.00 0.00 O ATOM 0 H SER A 49 9.747 -9.545 4.141 1.00 0.00 H new ATOM 0 HA SER A 49 10.850 -11.555 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.291 -9.561 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.263 -9.678 4.206 1.00 0.00 H new ATOM 0 HG SER A 49 14.166 -10.638 3.292 1.00 0.00 H new ATOM 720 N THR A 50 10.815 -11.566 5.579 1.00 0.00 N ATOM 721 CA THR A 50 10.751 -12.438 6.745 1.00 0.00 C ATOM 722 C THR A 50 9.307 -12.754 7.116 1.00 0.00 C ATOM 723 O THR A 50 9.016 -13.133 8.252 1.00 0.00 O ATOM 724 CB THR A 50 11.454 -11.804 7.960 1.00 0.00 C ATOM 725 OG1 THR A 50 10.944 -10.486 8.189 1.00 0.00 O ATOM 726 CG2 THR A 50 12.958 -11.741 7.743 1.00 0.00 C ATOM 0 H THR A 50 10.842 -10.570 5.799 1.00 0.00 H new ATOM 0 HA THR A 50 11.265 -13.361 6.478 1.00 0.00 H new ATOM 0 HB THR A 50 11.255 -12.426 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.395 -10.091 8.964 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.433 -11.290 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.347 -12.749 7.599 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.173 -11.139 6.860 1.00 0.00 H new ATOM 734 N CYS A 51 8.406 -12.598 6.153 1.00 0.00 N ATOM 735 CA CYS A 51 6.990 -12.867 6.379 1.00 0.00 C ATOM 736 C CYS A 51 6.417 -13.736 5.264 1.00 0.00 C ATOM 737 O CYS A 51 6.571 -13.447 4.077 1.00 0.00 O ATOM 738 CB CYS A 51 6.209 -11.556 6.473 1.00 0.00 C ATOM 739 SG CYS A 51 6.825 -10.418 7.736 1.00 0.00 S ATOM 0 H CYS A 51 8.630 -12.287 5.208 1.00 0.00 H new ATOM 0 HA CYS A 51 6.894 -13.407 7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.239 -11.057 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.164 -11.783 6.682 1.00 0.00 H new ATOM 0 HG CYS A 51 7.537 -9.488 7.172 1.00 0.00 H new ATOM 745 N PRO A 52 5.741 -14.827 5.652 1.00 0.00 N ATOM 746 CA PRO A 52 5.132 -15.761 4.700 1.00 0.00 C ATOM 747 C PRO A 52 3.933 -15.155 3.979 1.00 0.00 C ATOM 748 O PRO A 52 3.018 -14.629 4.611 1.00 0.00 O ATOM 749 CB PRO A 52 4.690 -16.930 5.584 1.00 0.00 C ATOM 750 CG PRO A 52 4.498 -16.332 6.935 1.00 0.00 C ATOM 751 CD PRO A 52 5.518 -15.233 7.050 1.00 0.00 C ATOM 0 HA PRO A 52 5.825 -16.045 3.908 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.768 -17.379 5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.443 -17.718 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.487 -15.940 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.639 -17.079 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.150 -14.405 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.437 -15.585 7.518 1.00 0.00 H new ATOM 759 N GLY A 53 3.944 -15.233 2.652 1.00 0.00 N ATOM 760 CA GLY A 53 2.852 -14.688 1.867 1.00 0.00 C ATOM 761 C GLY A 53 2.301 -13.404 2.454 1.00 0.00 C ATOM 762 O GLY A 53 1.087 -13.236 2.568 1.00 0.00 O ATOM 0 H GLY A 53 4.690 -15.664 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.198 -14.500 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.053 -15.426 1.801 1.00 0.00 H new ATOM 766 N ASP A 54 3.195 -12.495 2.829 1.00 0.00 N ATOM 767 CA ASP A 54 2.791 -11.219 3.408 1.00 0.00 C ATOM 768 C ASP A 54 3.292 -10.055 2.559 1.00 0.00 C ATOM 769 O ASP A 54 4.176 -10.221 1.719 1.00 0.00 O ATOM 770 CB ASP A 54 3.325 -11.092 4.836 1.00 0.00 C ATOM 771 CG ASP A 54 2.367 -11.660 5.865 1.00 0.00 C ATOM 772 OD1 ASP A 54 1.400 -12.341 5.463 1.00 0.00 O ATOM 773 OD2 ASP A 54 2.586 -11.426 7.072 1.00 0.00 O ATOM 0 H ASP A 54 4.204 -12.618 2.742 1.00 0.00 H new ATOM 0 HA ASP A 54 1.702 -11.186 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.282 -11.609 4.910 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.512 -10.042 5.059 1.00 0.00 H new ATOM 778 N TYR A 55 2.719 -8.877 2.784 1.00 0.00 N ATOM 779 CA TYR A 55 3.104 -7.685 2.037 1.00 0.00 C ATOM 780 C TYR A 55 3.574 -6.581 2.979 1.00 0.00 C ATOM 781 O TYR A 55 3.336 -6.634 4.185 1.00 0.00 O ATOM 782 CB TYR A 55 1.931 -7.186 1.193 1.00 0.00 C ATOM 783 CG TYR A 55 1.554 -8.122 0.067 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.529 -8.738 -0.707 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.222 -8.390 -0.224 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.190 -9.593 -1.738 1.00 0.00 C ATOM 787 CE2 TYR A 55 -0.127 -9.245 -1.251 1.00 0.00 C ATOM 788 CZ TYR A 55 0.860 -9.844 -2.005 1.00 0.00 C ATOM 789 OH TYR A 55 0.516 -10.695 -3.030 1.00 0.00 O ATOM 0 H TYR A 55 1.987 -8.722 3.477 1.00 0.00 H new ATOM 0 HA TYR A 55 3.930 -7.951 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.065 -7.041 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.184 -6.212 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.571 -8.545 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.554 -7.922 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.961 -10.062 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.167 -9.443 -1.462 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.460 -10.764 -3.084 1.00 0.00 H new ATOM 799 N VAL A 56 4.243 -5.579 2.417 1.00 0.00 N ATOM 800 CA VAL A 56 4.746 -4.459 3.205 1.00 0.00 C ATOM 801 C VAL A 56 4.535 -3.137 2.476 1.00 0.00 C ATOM 802 O VAL A 56 5.241 -2.825 1.516 1.00 0.00 O ATOM 803 CB VAL A 56 6.244 -4.625 3.523 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.765 -3.415 4.284 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.483 -5.904 4.311 1.00 0.00 C ATOM 0 H VAL A 56 4.449 -5.520 1.420 1.00 0.00 H new ATOM 0 HA VAL A 56 4.183 -4.450 4.139 1.00 0.00 H new ATOM 0 HB VAL A 56 6.792 -4.697 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.825 -3.550 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.629 -2.519 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.215 -3.309 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.547 -6.005 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.925 -5.865 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.149 -6.760 3.725 1.00 0.00 H new ATOM 815 N LEU A 57 3.561 -2.362 2.939 1.00 0.00 N ATOM 816 CA LEU A 57 3.256 -1.070 2.332 1.00 0.00 C ATOM 817 C LEU A 57 4.182 0.016 2.870 1.00 0.00 C ATOM 818 O LEU A 57 4.051 0.444 4.017 1.00 0.00 O ATOM 819 CB LEU A 57 1.798 -0.691 2.596 1.00 0.00 C ATOM 820 CG LEU A 57 1.366 0.693 2.111 1.00 0.00 C ATOM 821 CD1 LEU A 57 2.017 1.780 2.952 1.00 0.00 C ATOM 822 CD2 LEU A 57 1.712 0.875 0.641 1.00 0.00 C ATOM 0 H LEU A 57 2.968 -2.605 3.733 1.00 0.00 H new ATOM 0 HA LEU A 57 3.413 -1.155 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.158 -1.436 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.617 -0.751 3.669 1.00 0.00 H new ATOM 0 HG LEU A 57 0.285 0.775 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.698 2.758 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.719 1.661 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.101 1.700 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.397 1.866 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.789 0.773 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.198 0.117 0.050 1.00 0.00 H new ATOM 834 N SER A 58 5.115 0.459 2.034 1.00 0.00 N ATOM 835 CA SER A 58 6.064 1.495 2.427 1.00 0.00 C ATOM 836 C SER A 58 5.602 2.866 1.942 1.00 0.00 C ATOM 837 O SER A 58 5.001 2.990 0.875 1.00 0.00 O ATOM 838 CB SER A 58 7.453 1.183 1.865 1.00 0.00 C ATOM 839 OG SER A 58 7.912 -0.080 2.313 1.00 0.00 O ATOM 0 H SER A 58 5.235 0.117 1.080 1.00 0.00 H new ATOM 0 HA SER A 58 6.116 1.513 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.419 1.196 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.155 1.958 2.171 1.00 0.00 H new ATOM 0 HG SER A 58 8.378 0.026 3.169 1.00 0.00 H new ATOM 845 N VAL A 59 5.888 3.894 2.735 1.00 0.00 N ATOM 846 CA VAL A 59 5.504 5.257 2.388 1.00 0.00 C ATOM 847 C VAL A 59 6.501 6.267 2.944 1.00 0.00 C ATOM 848 O VAL A 59 7.136 6.028 3.971 1.00 0.00 O ATOM 849 CB VAL A 59 4.098 5.596 2.917 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.196 4.372 2.858 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.179 6.141 4.335 1.00 0.00 C ATOM 0 H VAL A 59 6.384 3.809 3.622 1.00 0.00 H new ATOM 0 HA VAL A 59 5.499 5.317 1.300 1.00 0.00 H new ATOM 0 HB VAL A 59 3.665 6.368 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.207 4.630 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.113 4.031 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.622 3.577 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.176 6.375 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.631 5.394 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.787 7.045 4.343 1.00 0.00 H new ATOM 861 N SER A 60 6.635 7.398 2.257 1.00 0.00 N ATOM 862 CA SER A 60 7.558 8.444 2.681 1.00 0.00 C ATOM 863 C SER A 60 6.877 9.412 3.644 1.00 0.00 C ATOM 864 O SER A 60 6.084 10.258 3.233 1.00 0.00 O ATOM 865 CB SER A 60 8.090 9.207 1.465 1.00 0.00 C ATOM 866 OG SER A 60 9.143 10.080 1.832 1.00 0.00 O ATOM 0 H SER A 60 6.116 7.613 1.405 1.00 0.00 H new ATOM 0 HA SER A 60 8.392 7.970 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.444 8.500 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.282 9.779 1.008 1.00 0.00 H new ATOM 0 HG SER A 60 10.002 9.619 1.727 1.00 0.00 H new ATOM 872 N GLU A 61 7.194 9.279 4.928 1.00 0.00 N ATOM 873 CA GLU A 61 6.612 10.141 5.951 1.00 0.00 C ATOM 874 C GLU A 61 7.572 10.317 7.124 1.00 0.00 C ATOM 875 O GLU A 61 8.333 9.411 7.459 1.00 0.00 O ATOM 876 CB GLU A 61 5.287 9.559 6.446 1.00 0.00 C ATOM 877 CG GLU A 61 4.616 10.400 7.519 1.00 0.00 C ATOM 878 CD GLU A 61 3.781 9.569 8.475 1.00 0.00 C ATOM 879 OE1 GLU A 61 2.580 9.374 8.198 1.00 0.00 O ATOM 880 OE2 GLU A 61 4.331 9.114 9.500 1.00 0.00 O ATOM 0 H GLU A 61 7.850 8.584 5.285 1.00 0.00 H new ATOM 0 HA GLU A 61 6.427 11.118 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.607 9.454 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.464 8.558 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.378 10.939 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.981 11.148 7.045 1.00 0.00 H new ATOM 887 N ASN A 62 7.530 11.492 7.743 1.00 0.00 N ATOM 888 CA ASN A 62 8.397 11.790 8.878 1.00 0.00 C ATOM 889 C ASN A 62 9.866 11.634 8.496 1.00 0.00 C ATOM 890 O ASN A 62 10.618 10.921 9.160 1.00 0.00 O ATOM 891 CB ASN A 62 8.064 10.871 10.055 1.00 0.00 C ATOM 892 CG ASN A 62 6.990 11.450 10.955 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.261 12.320 11.783 1.00 0.00 O ATOM 894 ND2 ASN A 62 5.763 10.967 10.798 1.00 0.00 N ATOM 0 H ASN A 62 6.905 12.254 7.478 1.00 0.00 H new ATOM 0 HA ASN A 62 8.225 12.825 9.173 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.734 9.904 9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.967 10.692 10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.999 11.317 11.376 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.584 10.246 10.099 1.00 0.00 H new ATOM 901 N SER A 63 10.267 12.307 7.422 1.00 0.00 N ATOM 902 CA SER A 63 11.645 12.241 6.950 1.00 0.00 C ATOM 903 C SER A 63 12.162 10.806 6.981 1.00 0.00 C ATOM 904 O SER A 63 13.357 10.570 7.158 1.00 0.00 O ATOM 905 CB SER A 63 12.543 13.138 7.804 1.00 0.00 C ATOM 906 OG SER A 63 12.439 14.494 7.404 1.00 0.00 O ATOM 0 H SER A 63 9.657 12.904 6.863 1.00 0.00 H new ATOM 0 HA SER A 63 11.667 12.594 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.264 13.043 8.854 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.578 12.809 7.718 1.00 0.00 H new ATOM 0 HG SER A 63 13.021 15.047 7.966 1.00 0.00 H new ATOM 912 N ARG A 64 11.253 9.853 6.808 1.00 0.00 N ATOM 913 CA ARG A 64 11.616 8.441 6.817 1.00 0.00 C ATOM 914 C ARG A 64 10.663 7.628 5.945 1.00 0.00 C ATOM 915 O ARG A 64 9.740 8.174 5.341 1.00 0.00 O ATOM 916 CB ARG A 64 11.603 7.898 8.248 1.00 0.00 C ATOM 917 CG ARG A 64 10.206 7.720 8.818 1.00 0.00 C ATOM 918 CD ARG A 64 10.160 6.591 9.836 1.00 0.00 C ATOM 919 NE ARG A 64 9.136 6.813 10.854 1.00 0.00 N ATOM 920 CZ ARG A 64 8.617 5.843 11.599 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.024 4.591 11.440 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.690 6.124 12.505 1.00 0.00 N ATOM 0 H ARG A 64 10.260 10.033 6.660 1.00 0.00 H new ATOM 0 HA ARG A 64 12.623 8.348 6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.120 6.938 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.165 8.576 8.890 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.882 8.649 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.506 7.511 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.964 5.649 9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.134 6.496 10.316 1.00 0.00 H new ATOM 0 HE ARG A 64 8.801 7.765 11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.737 4.371 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.624 3.848 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.375 7.086 12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.292 5.378 13.076 1.00 0.00 H new ATOM 936 N VAL A 65 10.894 6.321 5.884 1.00 0.00 N ATOM 937 CA VAL A 65 10.056 5.433 5.087 1.00 0.00 C ATOM 938 C VAL A 65 9.232 4.509 5.976 1.00 0.00 C ATOM 939 O VAL A 65 9.709 3.461 6.411 1.00 0.00 O ATOM 940 CB VAL A 65 10.901 4.579 4.123 1.00 0.00 C ATOM 941 CG1 VAL A 65 10.016 3.622 3.340 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.698 5.471 3.182 1.00 0.00 C ATOM 0 H VAL A 65 11.655 5.853 6.377 1.00 0.00 H new ATOM 0 HA VAL A 65 9.386 6.068 4.507 1.00 0.00 H new ATOM 0 HB VAL A 65 11.603 3.987 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.631 3.028 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.494 2.961 4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.288 4.191 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.290 4.852 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.014 6.090 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.362 6.111 3.763 1.00 0.00 H new ATOM 952 N SER A 66 7.992 4.906 6.244 1.00 0.00 N ATOM 953 CA SER A 66 7.101 4.115 7.085 1.00 0.00 C ATOM 954 C SER A 66 6.822 2.755 6.452 1.00 0.00 C ATOM 955 O SER A 66 6.255 2.669 5.362 1.00 0.00 O ATOM 956 CB SER A 66 5.786 4.862 7.316 1.00 0.00 C ATOM 957 OG SER A 66 5.229 4.536 8.577 1.00 0.00 O ATOM 0 H SER A 66 7.582 5.771 5.891 1.00 0.00 H new ATOM 0 HA SER A 66 7.593 3.956 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.960 5.937 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.078 4.611 6.526 1.00 0.00 H new ATOM 0 HG SER A 66 4.276 4.334 8.471 1.00 0.00 H new ATOM 963 N HIS A 67 7.224 1.693 7.144 1.00 0.00 N ATOM 964 CA HIS A 67 7.017 0.336 6.651 1.00 0.00 C ATOM 965 C HIS A 67 5.784 -0.292 7.292 1.00 0.00 C ATOM 966 O HIS A 67 5.861 -0.866 8.378 1.00 0.00 O ATOM 967 CB HIS A 67 8.249 -0.525 6.935 1.00 0.00 C ATOM 968 CG HIS A 67 9.426 -0.188 6.073 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.638 -0.753 4.833 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.459 0.662 6.278 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.750 -0.266 4.313 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.268 0.596 5.170 1.00 0.00 N ATOM 0 H HIS A 67 7.695 1.746 8.047 1.00 0.00 H new ATOM 0 HA HIS A 67 6.859 0.387 5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.530 -0.408 7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.991 -1.574 6.789 1.00 0.00 H new ATOM 0 HD1 HIS A 67 9.030 -1.440 4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.618 1.278 7.151 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.165 -0.528 3.351 1.00 0.00 H new ATOM 981 N TYR A 68 4.648 -0.179 6.613 1.00 0.00 N ATOM 982 CA TYR A 68 3.397 -0.733 7.117 1.00 0.00 C ATOM 983 C TYR A 68 3.210 -2.173 6.647 1.00 0.00 C ATOM 984 O TYR A 68 2.786 -2.418 5.517 1.00 0.00 O ATOM 985 CB TYR A 68 2.215 0.122 6.660 1.00 0.00 C ATOM 986 CG TYR A 68 2.142 1.469 7.343 1.00 0.00 C ATOM 987 CD1 TYR A 68 1.874 1.568 8.703 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.343 2.644 6.628 1.00 0.00 C ATOM 989 CE1 TYR A 68 1.806 2.796 9.330 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.278 3.877 7.248 1.00 0.00 C ATOM 991 CZ TYR A 68 2.009 3.948 8.599 1.00 0.00 C ATOM 992 OH TYR A 68 1.944 5.174 9.221 1.00 0.00 O ATOM 0 H TYR A 68 4.568 0.292 5.712 1.00 0.00 H new ATOM 0 HA TYR A 68 3.440 -0.728 8.206 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.282 0.273 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.290 -0.422 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.716 0.668 9.280 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.554 2.592 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.595 2.854 10.388 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.437 4.780 6.678 1.00 0.00 H new ATOM 0 HH TYR A 68 2.111 5.883 8.565 1.00 0.00 H new ATOM 1002 N ILE A 69 3.528 -3.120 7.522 1.00 0.00 N ATOM 1003 CA ILE A 69 3.394 -4.535 7.197 1.00 0.00 C ATOM 1004 C ILE A 69 1.928 -4.951 7.149 1.00 0.00 C ATOM 1005 O ILE A 69 1.163 -4.674 8.073 1.00 0.00 O ATOM 1006 CB ILE A 69 4.133 -5.419 8.219 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.631 -5.109 8.205 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.889 -6.891 7.920 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.419 -5.888 9.235 1.00 0.00 C ATOM 0 H ILE A 69 3.880 -2.934 8.461 1.00 0.00 H new ATOM 0 HA ILE A 69 3.842 -4.677 6.214 1.00 0.00 H new ATOM 0 HB ILE A 69 3.745 -5.201 9.214 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.029 -5.326 7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.775 -4.043 8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.418 -7.503 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.821 -7.101 7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.253 -7.124 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.473 -5.618 9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.047 -5.652 10.232 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.306 -6.956 9.048 1.00 0.00 H new ATOM 1021 N ILE A 70 1.544 -5.619 6.066 1.00 0.00 N ATOM 1022 CA ILE A 70 0.170 -6.076 5.899 1.00 0.00 C ATOM 1023 C ILE A 70 0.044 -7.564 6.209 1.00 0.00 C ATOM 1024 O ILE A 70 0.438 -8.410 5.408 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.339 -5.816 4.469 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.581 -4.321 4.253 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.613 -6.607 4.208 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.634 -3.581 3.738 1.00 0.00 C ATOM 0 H ILE A 70 2.165 -5.855 5.292 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.439 -5.508 6.602 1.00 0.00 H new ATOM 0 HB ILE A 70 0.423 -6.147 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.401 -4.192 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.898 -3.873 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.960 -6.413 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.411 -7.672 4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.382 -6.304 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.390 -2.527 3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.450 -3.679 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.939 -4.004 2.780 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.511 -7.874 7.376 1.00 0.00 N ATOM 1041 CA ASN A 71 -0.691 -9.260 7.792 1.00 0.00 C ATOM 1042 C ASN A 71 -1.735 -9.957 6.926 1.00 0.00 C ATOM 1043 O ASN A 71 -2.805 -9.409 6.664 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.108 -9.323 9.263 1.00 0.00 C ATOM 1045 CG ASN A 71 0.008 -8.901 10.199 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.183 -8.047 11.065 1.00 0.00 O ATOM 1047 ND2 ASN A 71 1.181 -9.499 10.029 1.00 0.00 N ATOM 0 H ASN A 71 -0.844 -7.185 8.050 1.00 0.00 H new ATOM 0 HA ASN A 71 0.261 -9.776 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.973 -8.679 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.418 -10.339 9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.969 -9.256 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.294 -10.202 9.298 1.00 0.00 H new ATOM 1054 N SER A 72 -1.416 -11.170 6.484 1.00 0.00 N ATOM 1055 CA SER A 72 -2.325 -11.941 5.645 1.00 0.00 C ATOM 1056 C SER A 72 -3.301 -12.746 6.497 1.00 0.00 C ATOM 1057 O SER A 72 -2.904 -13.663 7.218 1.00 0.00 O ATOM 1058 CB SER A 72 -1.535 -12.879 4.729 1.00 0.00 C ATOM 1059 OG SER A 72 -2.376 -13.462 3.749 1.00 0.00 O ATOM 0 H SER A 72 -0.535 -11.639 6.693 1.00 0.00 H new ATOM 0 HA SER A 72 -2.896 -11.243 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.732 -12.326 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.066 -13.663 5.323 1.00 0.00 H new ATOM 0 HG SER A 72 -1.847 -14.055 3.176 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.580 -12.398 6.410 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.615 -13.087 7.172 1.00 0.00 C ATOM 1067 C LEU A 73 -6.061 -14.359 6.458 1.00 0.00 C ATOM 1068 O LEU A 73 -6.009 -14.463 5.233 1.00 0.00 O ATOM 1069 CB LEU A 73 -6.814 -12.164 7.392 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.502 -10.786 7.977 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -7.761 -9.934 8.038 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -5.881 -10.922 9.360 1.00 0.00 C ATOM 0 H LEU A 73 -4.925 -11.642 5.819 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.196 -13.364 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.320 -12.025 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.518 -12.667 8.055 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.783 -10.290 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.519 -8.957 8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.164 -9.808 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.503 -10.425 8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.666 -9.932 9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.576 -11.438 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.956 -11.494 9.289 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.513 -15.350 7.241 1.00 0.00 N ATOM 1085 CA PRO A 74 -6.981 -16.631 6.705 1.00 0.00 C ATOM 1086 C PRO A 74 -8.298 -16.497 5.948 1.00 0.00 C ATOM 1087 O PRO A 74 -8.623 -17.326 5.098 1.00 0.00 O ATOM 1088 CB PRO A 74 -7.170 -17.492 7.957 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.412 -16.515 9.055 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.604 -15.295 8.710 1.00 0.00 C ATOM 0 HA PRO A 74 -6.280 -17.051 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.011 -18.176 7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.288 -18.101 8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.472 -16.272 9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.107 -16.926 10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.092 -14.381 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.618 -15.321 9.175 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.051 -15.448 6.261 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.333 -15.206 5.609 1.00 0.00 C ATOM 1100 C ASN A 75 -10.149 -14.391 4.332 1.00 0.00 C ATOM 1101 O ASN A 75 -10.830 -13.388 4.120 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.283 -14.476 6.561 1.00 0.00 C ATOM 1103 CG ASN A 75 -10.585 -13.385 7.350 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -9.640 -13.650 8.094 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -11.048 -12.151 7.191 1.00 0.00 N ATOM 0 H ASN A 75 -8.796 -14.752 6.962 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.765 -16.171 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.102 -14.040 5.989 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.724 -15.195 7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.618 -11.376 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.833 -11.978 6.564 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.224 -14.830 3.485 1.00 0.00 N ATOM 1113 CA ARG A 76 -8.949 -14.142 2.229 1.00 0.00 C ATOM 1114 C ARG A 76 -9.041 -12.629 2.408 1.00 0.00 C ATOM 1115 O ARG A 76 -9.741 -11.947 1.659 1.00 0.00 O ATOM 1116 CB ARG A 76 -9.929 -14.599 1.148 1.00 0.00 C ATOM 1117 CG ARG A 76 -9.993 -16.109 0.982 1.00 0.00 C ATOM 1118 CD ARG A 76 -11.024 -16.728 1.913 1.00 0.00 C ATOM 1119 NE ARG A 76 -11.035 -18.186 1.825 1.00 0.00 N ATOM 1120 CZ ARG A 76 -12.037 -18.941 2.260 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -13.104 -18.379 2.811 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -11.973 -20.261 2.145 1.00 0.00 N ATOM 0 H ARG A 76 -8.652 -15.659 3.646 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.935 -14.393 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.924 -14.226 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.643 -14.149 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.241 -16.352 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.013 -16.540 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.812 -16.428 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.013 -16.342 1.666 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.229 -18.650 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.157 -17.364 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.872 -18.961 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.154 -20.697 1.722 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.743 -20.840 2.479 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.329 -12.112 3.404 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.331 -10.681 3.681 1.00 0.00 C ATOM 1138 C ARG A 77 -6.978 -10.230 4.223 1.00 0.00 C ATOM 1139 O ARG A 77 -6.200 -11.038 4.730 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.435 -10.336 4.684 1.00 0.00 C ATOM 1141 CG ARG A 77 -10.817 -10.237 4.058 1.00 0.00 C ATOM 1142 CD ARG A 77 -11.845 -9.732 5.058 1.00 0.00 C ATOM 1143 NE ARG A 77 -11.943 -8.275 5.054 1.00 0.00 N ATOM 1144 CZ ARG A 77 -12.671 -7.585 5.924 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -13.361 -8.216 6.864 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -12.710 -6.260 5.856 1.00 0.00 N ATOM 0 H ARG A 77 -7.744 -12.663 4.032 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.522 -10.155 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.453 -11.095 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.194 -9.388 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.782 -9.566 3.200 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.120 -11.215 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.819 -10.161 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.577 -10.075 6.057 1.00 0.00 H new ATOM 0 HE ARG A 77 -11.424 -7.759 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.333 -9.234 6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.919 -7.683 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.180 -5.771 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.270 -5.731 6.525 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.704 -8.934 4.112 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.444 -8.375 4.589 1.00 0.00 C ATOM 1162 C PHE A 78 -5.661 -7.543 5.849 1.00 0.00 C ATOM 1163 O PHE A 78 -6.771 -7.086 6.122 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.799 -7.515 3.500 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.194 -8.317 2.383 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -3.197 -9.244 2.639 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -4.623 -8.144 1.077 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -2.638 -9.982 1.613 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -4.068 -8.879 0.047 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.075 -9.801 0.315 1.00 0.00 C ATOM 0 H PHE A 78 -7.337 -8.251 3.696 1.00 0.00 H new ATOM 0 HA PHE A 78 -4.777 -9.202 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.550 -6.841 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.026 -6.893 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.853 -9.392 3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.401 -7.426 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.860 -10.700 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.410 -8.733 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.641 -10.379 -0.488 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.592 -7.349 6.614 1.00 0.00 N ATOM 1181 CA LYS A 79 -4.663 -6.571 7.845 1.00 0.00 C ATOM 1182 C LYS A 79 -3.425 -5.694 8.006 1.00 0.00 C ATOM 1183 O LYS A 79 -2.346 -6.184 8.341 1.00 0.00 O ATOM 1184 CB LYS A 79 -4.804 -7.500 9.053 1.00 0.00 C ATOM 1185 CG LYS A 79 -4.827 -6.769 10.384 1.00 0.00 C ATOM 1186 CD LYS A 79 -4.608 -7.721 11.547 1.00 0.00 C ATOM 1187 CE LYS A 79 -4.156 -6.981 12.796 1.00 0.00 C ATOM 1188 NZ LYS A 79 -4.248 -7.836 14.012 1.00 0.00 N ATOM 0 H LYS A 79 -3.666 -7.720 6.403 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.539 -5.925 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.722 -8.079 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.977 -8.210 9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.054 -6.000 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.784 -6.260 10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.532 -8.260 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.860 -8.465 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.128 -6.644 12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.769 -6.090 12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.931 -7.295 14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.234 -8.137 14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.644 -8.674 13.894 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.589 -4.398 7.768 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.485 -3.454 7.890 1.00 0.00 C ATOM 1204 C ILE A 80 -2.471 -2.798 9.267 1.00 0.00 C ATOM 1205 O ILE A 80 -3.302 -1.942 9.567 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.560 -2.356 6.812 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.402 -1.370 6.975 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -3.896 -1.631 6.888 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.104 -0.576 5.723 1.00 0.00 C ATOM 0 H ILE A 80 -4.475 -3.977 7.490 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.567 -4.025 7.752 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.477 -2.824 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.634 -0.680 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.507 -1.918 7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.935 -0.858 6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.706 -2.343 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.006 -1.172 7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.272 0.102 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.840 -1.257 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.985 0.000 5.439 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.519 -3.206 10.101 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.414 -2.646 11.436 1.00 0.00 C ATOM 1223 C GLY A 81 -2.505 -3.147 12.362 1.00 0.00 C ATOM 1224 O GLY A 81 -2.478 -4.297 12.800 1.00 0.00 O ATOM 0 H GLY A 81 -0.819 -3.913 9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.441 -2.898 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.464 -1.559 11.376 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.466 -2.281 12.663 1.00 0.00 N ATOM 1229 CA ASP A 82 -4.571 -2.641 13.544 1.00 0.00 C ATOM 1230 C ASP A 82 -5.905 -2.545 12.810 1.00 0.00 C ATOM 1231 O ASP A 82 -6.954 -2.370 13.430 1.00 0.00 O ATOM 1232 CB ASP A 82 -4.586 -1.734 14.776 1.00 0.00 C ATOM 1233 CG ASP A 82 -5.340 -2.350 15.938 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -5.047 -3.513 16.286 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -6.221 -1.667 16.501 1.00 0.00 O ATOM 0 H ASP A 82 -3.502 -1.325 12.310 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.426 -3.673 13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.561 -1.524 15.082 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.043 -0.779 14.515 1.00 0.00 H new ATOM 1240 N GLN A 83 -5.856 -2.658 11.487 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.061 -2.582 10.669 1.00 0.00 C ATOM 1242 C GLN A 83 -7.083 -3.695 9.627 1.00 0.00 C ATOM 1243 O GLN A 83 -6.053 -4.301 9.331 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.149 -1.219 9.979 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.362 -0.063 10.942 1.00 0.00 C ATOM 1246 CD GLN A 83 -8.721 -0.103 11.611 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -9.622 -0.817 11.170 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -8.876 0.665 12.683 1.00 0.00 N ATOM 0 H GLN A 83 -4.996 -2.802 10.959 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.923 -2.706 11.324 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.232 -1.047 9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.968 -1.237 9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.585 -0.084 11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.254 0.878 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.102 1.241 13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.769 0.679 13.176 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.263 -3.959 9.074 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.418 -5.001 8.066 1.00 0.00 C ATOM 1259 C GLU A 84 -9.200 -4.481 6.863 1.00 0.00 C ATOM 1260 O GLU A 84 -10.049 -3.600 6.994 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.127 -6.218 8.662 1.00 0.00 C ATOM 1262 CG GLU A 84 -8.392 -6.833 9.841 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.310 -7.624 10.753 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.519 -7.312 10.794 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -8.820 -8.555 11.425 1.00 0.00 O ATOM 0 H GLU A 84 -9.125 -3.466 9.307 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.424 -5.298 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.127 -5.925 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.248 -6.974 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.602 -7.487 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.909 -6.043 10.415 1.00 0.00 H new ATOM 1272 N PHE A 85 -8.907 -5.034 5.690 1.00 0.00 N ATOM 1273 CA PHE A 85 -9.581 -4.627 4.463 1.00 0.00 C ATOM 1274 C PHE A 85 -9.942 -5.841 3.612 1.00 0.00 C ATOM 1275 O PHE A 85 -9.597 -6.974 3.949 1.00 0.00 O ATOM 1276 CB PHE A 85 -8.693 -3.673 3.661 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.453 -2.359 4.346 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.388 -1.340 4.268 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.291 -2.142 5.069 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.169 -0.129 4.897 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.066 -0.934 5.701 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.007 0.074 5.616 1.00 0.00 C ATOM 0 H PHE A 85 -8.207 -5.765 5.564 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.501 -4.112 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.734 -4.155 3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.155 -3.489 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.299 -1.494 3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.552 -2.927 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.906 0.658 4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.156 -0.778 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.835 1.019 6.111 1.00 0.00 H new ATOM 1292 N ASP A 86 -10.640 -5.596 2.508 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.048 -6.668 1.608 1.00 0.00 C ATOM 1294 C ASP A 86 -9.871 -7.145 0.762 1.00 0.00 C ATOM 1295 O ASP A 86 -9.780 -8.323 0.415 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.185 -6.195 0.701 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.296 -5.512 1.473 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.953 -6.189 2.293 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -13.508 -4.300 1.259 1.00 0.00 O ATOM 0 H ASP A 86 -10.935 -4.664 2.215 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.399 -7.504 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.788 -5.506 -0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.594 -7.049 0.161 1.00 0.00 H new ATOM 1304 N HIS A 87 -8.972 -6.222 0.434 1.00 0.00 N ATOM 1305 CA HIS A 87 -7.801 -6.549 -0.371 1.00 0.00 C ATOM 1306 C HIS A 87 -6.886 -5.336 -0.517 1.00 0.00 C ATOM 1307 O HIS A 87 -7.127 -4.288 0.083 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.228 -7.049 -1.751 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.477 -6.401 -2.263 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.516 -5.102 -2.724 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.737 -6.881 -2.388 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.746 -4.810 -3.107 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.506 -5.873 -2.914 1.00 0.00 N ATOM 0 H HIS A 87 -9.032 -5.243 0.713 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.249 -7.339 0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.419 -6.870 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.380 -8.127 -1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.074 -7.872 -2.123 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -11.074 -3.863 -3.509 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.503 -5.935 -3.122 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.837 -5.486 -1.318 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.886 -4.403 -1.542 1.00 0.00 C ATOM 1324 C LEU A 88 -5.600 -3.137 -2.004 1.00 0.00 C ATOM 1325 O LEU A 88 -5.552 -2.094 -1.351 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.843 -4.820 -2.581 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.539 -5.398 -2.028 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.881 -4.413 -1.075 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -2.797 -6.726 -1.332 1.00 0.00 C ATOM 0 H LEU A 88 -5.624 -6.346 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.386 -4.192 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.294 -5.560 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.601 -3.951 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.859 -5.574 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.955 -4.841 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.660 -3.486 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.555 -4.204 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.858 -7.122 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.495 -6.575 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.223 -7.433 -2.044 1.00 0.00 H new ATOM 1341 N PRO A 89 -6.283 -3.228 -3.154 1.00 0.00 N ATOM 1342 CA PRO A 89 -7.024 -2.101 -3.727 1.00 0.00 C ATOM 1343 C PRO A 89 -8.260 -1.743 -2.909 1.00 0.00 C ATOM 1344 O PRO A 89 -9.123 -0.994 -3.366 1.00 0.00 O ATOM 1345 CB PRO A 89 -7.429 -2.610 -5.113 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.459 -4.093 -4.978 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.385 -4.440 -3.985 1.00 0.00 C ATOM 0 HA PRO A 89 -6.426 -1.190 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.403 -2.220 -5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.715 -2.296 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.435 -4.434 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.274 -4.576 -5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.654 -5.313 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.441 -4.669 -4.478 1.00 0.00 H new ATOM 1355 N ALA A 90 -8.338 -2.284 -1.697 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.468 -2.019 -0.814 1.00 0.00 C ATOM 1357 C ALA A 90 -9.039 -1.193 0.393 1.00 0.00 C ATOM 1358 O ALA A 90 -9.843 -0.466 0.978 1.00 0.00 O ATOM 1359 CB ALA A 90 -10.102 -3.327 -0.364 1.00 0.00 C ATOM 0 H ALA A 90 -7.633 -2.908 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.207 -1.442 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.944 -3.115 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.453 -3.880 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.364 -3.924 0.172 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.768 -1.310 0.763 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.232 -0.574 1.903 1.00 0.00 C ATOM 1367 C LEU A 91 -6.648 0.764 1.461 1.00 0.00 C ATOM 1368 O LEU A 91 -6.820 1.781 2.133 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.160 -1.403 2.612 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.834 -1.563 1.867 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.882 -0.431 2.224 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.204 -2.911 2.183 1.00 0.00 C ATOM 0 H LEU A 91 -7.090 -1.907 0.290 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.050 -0.381 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.957 -0.946 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.566 -2.395 2.807 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.033 -1.520 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.944 -0.561 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.331 0.523 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.689 -0.443 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.261 -3.007 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.019 -2.984 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.880 -3.709 1.877 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.957 0.755 0.326 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.348 1.969 -0.208 1.00 0.00 C ATOM 1386 C LEU A 92 -6.402 3.044 -0.453 1.00 0.00 C ATOM 1387 O LEU A 92 -6.220 4.202 -0.077 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.606 1.661 -1.509 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.503 0.605 -1.419 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -3.119 0.114 -2.806 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.288 1.164 -0.693 1.00 0.00 C ATOM 0 H LEU A 92 -5.804 -0.078 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.637 2.344 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.335 1.334 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.166 2.586 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.884 -0.243 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.333 -0.637 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.991 -0.326 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.758 0.952 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.513 0.399 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.906 2.029 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.573 1.465 0.315 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.505 2.652 -1.084 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.588 3.583 -1.377 1.00 0.00 C ATOM 1405 C GLU A 93 -9.192 4.138 -0.090 1.00 0.00 C ATOM 1406 O GLU A 93 -9.692 5.263 -0.060 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.673 2.893 -2.207 1.00 0.00 C ATOM 1408 CG GLU A 93 -9.171 2.352 -3.535 1.00 0.00 C ATOM 1409 CD GLU A 93 -8.973 3.441 -4.571 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -9.985 3.945 -5.102 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -7.807 3.788 -4.852 1.00 0.00 O ATOM 0 H GLU A 93 -7.672 1.697 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.174 4.412 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.096 2.073 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.480 3.601 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.227 1.830 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.881 1.618 -3.916 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.143 3.340 0.972 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.686 3.749 2.261 1.00 0.00 C ATOM 1420 C PHE A 94 -8.736 4.709 2.972 1.00 0.00 C ATOM 1421 O PHE A 94 -9.149 5.480 3.839 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.945 2.525 3.141 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.848 2.805 4.308 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.219 2.905 4.132 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.327 2.968 5.582 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.052 3.164 5.204 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.155 3.226 6.657 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.520 3.323 6.468 1.00 0.00 C ATOM 0 H PHE A 94 -8.733 2.406 0.965 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.629 4.265 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.386 1.736 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.993 2.146 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.641 2.779 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.261 2.892 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.119 3.242 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.736 3.352 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.170 3.523 7.307 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.462 4.654 2.600 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.452 5.516 3.203 1.00 0.00 C ATOM 1440 C TYR A 95 -6.255 6.784 2.379 1.00 0.00 C ATOM 1441 O TYR A 95 -5.610 7.734 2.823 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.125 4.767 3.333 1.00 0.00 C ATOM 1443 CG TYR A 95 -5.054 3.865 4.545 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.403 4.335 5.805 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.638 2.545 4.430 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -5.340 3.515 6.916 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.573 1.717 5.534 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.925 2.207 6.775 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.860 1.387 7.878 1.00 0.00 O ATOM 0 H TYR A 95 -7.104 4.022 1.884 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.800 5.801 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.966 4.169 2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.312 5.491 3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.729 5.358 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.360 2.159 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.614 3.896 7.889 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.249 0.692 5.426 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.325 0.546 7.688 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.816 6.792 1.174 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.705 7.942 0.285 1.00 0.00 C ATOM 1461 C LYS A 96 -7.334 9.180 0.917 1.00 0.00 C ATOM 1462 O LYS A 96 -7.125 10.300 0.450 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.378 7.643 -1.056 1.00 0.00 C ATOM 1464 CG LYS A 96 -6.528 6.796 -1.987 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.307 6.372 -3.221 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.177 7.393 -4.341 1.00 0.00 C ATOM 1467 NZ LYS A 96 -8.121 8.531 -4.166 1.00 0.00 N ATOM 0 H LYS A 96 -7.353 6.014 0.791 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.646 8.139 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.322 7.131 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.617 8.584 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.645 7.359 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.176 5.912 -1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.945 5.404 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.358 6.245 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.155 7.770 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.366 6.908 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.320 8.963 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.008 8.185 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.695 9.241 -3.537 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.103 8.970 1.980 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.760 10.070 2.676 1.00 0.00 C ATOM 1483 C ILE A 97 -8.312 10.144 4.132 1.00 0.00 C ATOM 1484 O ILE A 97 -8.280 11.221 4.729 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.293 9.931 2.629 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.729 8.623 3.292 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -10.786 9.992 1.191 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -10.859 7.468 2.323 1.00 0.00 C ATOM 0 H ILE A 97 -8.286 8.049 2.378 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.471 10.987 2.162 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.735 10.761 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.007 8.359 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -11.686 8.779 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -11.871 9.892 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.502 10.947 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.338 9.180 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -11.171 6.574 2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -11.602 7.712 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -9.897 7.285 1.844 1.00 0.00 H new ATOM 1500 N HIS A 98 -7.965 8.993 4.698 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.516 8.927 6.084 1.00 0.00 C ATOM 1502 C HIS A 98 -5.999 9.065 6.171 1.00 0.00 C ATOM 1503 O HIS A 98 -5.271 8.572 5.309 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.958 7.611 6.724 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.445 7.464 6.827 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -10.078 6.241 6.892 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.425 8.397 6.877 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.383 6.427 6.976 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.620 7.727 6.969 1.00 0.00 N ATOM 0 H HIS A 98 -7.986 8.093 4.218 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.970 9.756 6.627 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.559 6.781 6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.524 7.538 7.721 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.611 5.334 6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.292 9.468 6.850 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -12.129 5.649 7.040 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.530 9.737 7.216 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.100 9.942 7.414 1.00 0.00 C ATOM 1520 C TYR A 99 -3.514 8.862 8.319 1.00 0.00 C ATOM 1521 O TYR A 99 -3.839 8.786 9.504 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.839 11.324 8.016 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.305 12.464 7.138 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.643 12.596 6.788 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.406 13.409 6.659 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.073 13.635 5.987 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -3.827 14.453 5.858 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.161 14.562 5.524 1.00 0.00 C ATOM 1529 OH TYR A 99 -5.584 15.599 4.725 1.00 0.00 O ATOM 0 H TYR A 99 -6.119 10.149 7.939 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.613 9.879 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.341 11.391 8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.771 11.434 8.203 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.359 11.873 7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.361 13.326 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.117 13.722 5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.115 15.180 5.495 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.818 16.162 4.487 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.648 8.030 7.751 1.00 0.00 N ATOM 1540 CA LEU A 100 -2.015 6.953 8.506 1.00 0.00 C ATOM 1541 C LEU A 100 -1.432 7.476 9.815 1.00 0.00 C ATOM 1542 O LEU A 100 -1.914 7.142 10.897 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.915 6.297 7.670 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.322 5.833 6.270 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.108 5.764 5.357 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -2.019 4.482 6.338 1.00 0.00 C ATOM 0 H LEU A 100 -2.368 8.080 6.771 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.777 6.209 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.091 7.004 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.533 5.437 8.219 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.021 6.559 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.417 5.432 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.349 6.751 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.616 5.059 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.302 4.167 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.343 3.745 6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.912 4.564 6.957 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.394 8.297 9.707 1.00 0.00 N ATOM 1559 CA ASP A 101 0.253 8.869 10.883 1.00 0.00 C ATOM 1560 C ASP A 101 0.181 10.392 10.856 1.00 0.00 C ATOM 1561 O ASP A 101 -0.449 11.011 11.714 1.00 0.00 O ATOM 1562 CB ASP A 101 1.712 8.416 10.958 1.00 0.00 C ATOM 1563 CG ASP A 101 2.220 8.334 12.384 1.00 0.00 C ATOM 1564 OD1 ASP A 101 2.307 9.391 13.045 1.00 0.00 O ATOM 1565 OD2 ASP A 101 2.529 7.214 12.840 1.00 0.00 O ATOM 0 H ASP A 101 0.018 8.582 8.818 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.276 8.514 11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.811 7.440 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.334 9.110 10.393 1.00 0.00 H new ATOM 1570 N THR A 102 0.832 10.993 9.864 1.00 0.00 N ATOM 1571 CA THR A 102 0.843 12.444 9.726 1.00 0.00 C ATOM 1572 C THR A 102 0.473 12.865 8.309 1.00 0.00 C ATOM 1573 O THR A 102 0.327 14.053 8.020 1.00 0.00 O ATOM 1574 CB THR A 102 2.223 13.031 10.080 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.109 14.437 10.328 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.218 12.788 8.955 1.00 0.00 C ATOM 0 H THR A 102 1.358 10.497 9.145 1.00 0.00 H new ATOM 0 HA THR A 102 0.101 12.833 10.423 1.00 0.00 H new ATOM 0 HB THR A 102 2.586 12.533 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.495 14.835 9.677 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.185 13.211 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.325 11.716 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.858 13.263 8.042 1.00 0.00 H new ATOM 1584 N THR A 103 0.321 11.883 7.425 1.00 0.00 N ATOM 1585 CA THR A 103 -0.032 12.152 6.037 1.00 0.00 C ATOM 1586 C THR A 103 -0.881 11.025 5.458 1.00 0.00 C ATOM 1587 O THR A 103 -1.198 10.055 6.147 1.00 0.00 O ATOM 1588 CB THR A 103 1.223 12.335 5.163 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.887 13.042 3.965 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.836 10.988 4.809 1.00 0.00 C ATOM 0 H THR A 103 0.437 10.894 7.646 1.00 0.00 H new ATOM 0 HA THR A 103 -0.608 13.078 6.031 1.00 0.00 H new ATOM 0 HB THR A 103 1.954 12.911 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.691 13.156 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.721 11.142 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.118 10.465 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.109 10.391 4.259 1.00 0.00 H new ATOM 1598 N THR A 104 -1.246 11.159 4.187 1.00 0.00 N ATOM 1599 CA THR A 104 -2.058 10.153 3.515 1.00 0.00 C ATOM 1600 C THR A 104 -1.343 9.598 2.289 1.00 0.00 C ATOM 1601 O THR A 104 -0.206 9.973 1.998 1.00 0.00 O ATOM 1602 CB THR A 104 -3.421 10.728 3.084 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.239 11.688 2.038 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.130 11.381 4.261 1.00 0.00 C ATOM 0 H THR A 104 -0.992 11.955 3.602 1.00 0.00 H new ATOM 0 HA THR A 104 -2.221 9.348 4.232 1.00 0.00 H new ATOM 0 HB THR A 104 -4.038 9.907 2.719 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.110 12.047 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.090 11.779 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.294 10.640 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 104 -3.515 12.192 4.652 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.015 8.703 1.573 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.443 8.096 0.376 1.00 0.00 C ATOM 1614 C LEU A 105 -1.711 8.958 -0.854 1.00 0.00 C ATOM 1615 O LEU A 105 -2.823 8.972 -1.383 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.019 6.694 0.166 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.747 5.683 1.280 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.483 4.380 1.010 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.252 5.433 1.420 1.00 0.00 C ATOM 0 H LEU A 105 -2.956 8.382 1.800 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.365 8.022 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.098 6.782 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.619 6.294 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.116 6.098 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.277 3.673 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.555 4.571 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.145 3.961 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.077 4.711 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.141 5.040 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.252 6.369 1.661 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.686 9.673 -1.304 1.00 0.00 N ATOM 1632 CA ILE A 106 -0.811 10.535 -2.473 1.00 0.00 C ATOM 1633 C ILE A 106 -0.772 9.721 -3.762 1.00 0.00 C ATOM 1634 O ILE A 106 -1.775 9.608 -4.466 1.00 0.00 O ATOM 1635 CB ILE A 106 0.307 11.594 -2.514 1.00 0.00 C ATOM 1636 CG1 ILE A 106 0.299 12.425 -1.229 1.00 0.00 C ATOM 1637 CG2 ILE A 106 0.143 12.490 -3.732 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -0.832 13.427 -1.164 1.00 0.00 C ATOM 0 H ILE A 106 0.240 9.673 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.774 11.039 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 106 1.268 11.085 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.229 11.754 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.248 12.954 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.940 13.233 -3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.193 11.886 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.822 12.994 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.775 13.980 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.751 14.121 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.786 12.903 -1.219 1.00 0.00 H new ATOM 1650 N GLU A 107 0.392 9.155 -4.064 1.00 0.00 N ATOM 1651 CA GLU A 107 0.560 8.351 -5.268 1.00 0.00 C ATOM 1652 C GLU A 107 1.700 7.350 -5.099 1.00 0.00 C ATOM 1653 O GLU A 107 2.645 7.569 -4.341 1.00 0.00 O ATOM 1654 CB GLU A 107 0.832 9.251 -6.475 1.00 0.00 C ATOM 1655 CG GLU A 107 2.161 9.983 -6.401 1.00 0.00 C ATOM 1656 CD GLU A 107 3.295 9.201 -7.035 1.00 0.00 C ATOM 1657 OE1 GLU A 107 3.033 8.455 -8.001 1.00 0.00 O ATOM 1658 OE2 GLU A 107 4.444 9.333 -6.564 1.00 0.00 O ATOM 0 H GLU A 107 1.232 9.238 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.364 7.798 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.810 8.646 -7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.028 9.982 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.068 10.948 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.403 10.184 -5.357 1.00 0.00 H new ATOM 1665 N PRO A 108 1.609 6.223 -5.821 1.00 0.00 N ATOM 1666 CA PRO A 108 2.623 5.165 -5.769 1.00 0.00 C ATOM 1667 C PRO A 108 3.937 5.590 -6.415 1.00 0.00 C ATOM 1668 O PRO A 108 3.955 6.083 -7.542 1.00 0.00 O ATOM 1669 CB PRO A 108 1.983 4.022 -6.560 1.00 0.00 C ATOM 1670 CG PRO A 108 1.023 4.690 -7.483 1.00 0.00 C ATOM 1671 CD PRO A 108 0.510 5.895 -6.745 1.00 0.00 C ATOM 0 HA PRO A 108 2.883 4.899 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.732 3.454 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.474 3.320 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.513 4.981 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.207 4.019 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.296 6.721 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.413 5.675 -6.209 1.00 0.00 H new ATOM 1679 N ALA A 109 5.036 5.394 -5.693 1.00 0.00 N ATOM 1680 CA ALA A 109 6.355 5.755 -6.198 1.00 0.00 C ATOM 1681 C ALA A 109 6.489 5.413 -7.678 1.00 0.00 C ATOM 1682 O ALA A 109 5.858 4.486 -8.185 1.00 0.00 O ATOM 1683 CB ALA A 109 7.438 5.052 -5.392 1.00 0.00 C ATOM 0 H ALA A 109 5.039 4.988 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 109 6.477 6.833 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.418 5.330 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.364 5.349 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.309 3.973 -5.473 1.00 0.00 H new ATOM 1689 N PRO A 110 7.330 6.179 -8.389 1.00 0.00 N ATOM 1690 CA PRO A 110 7.566 5.976 -9.822 1.00 0.00 C ATOM 1691 C PRO A 110 8.339 4.693 -10.106 1.00 0.00 C ATOM 1692 O PRO A 110 9.141 4.246 -9.286 1.00 0.00 O ATOM 1693 CB PRO A 110 8.395 7.199 -10.221 1.00 0.00 C ATOM 1694 CG PRO A 110 9.071 7.626 -8.964 1.00 0.00 C ATOM 1695 CD PRO A 110 8.115 7.301 -7.849 1.00 0.00 C ATOM 0 HA PRO A 110 6.634 5.875 -10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.120 6.950 -10.995 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.763 7.993 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 110 10.017 7.101 -8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.298 8.692 -8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.642 7.021 -6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.481 8.153 -7.602 1.00 0.00 H new ATOM 1703 N ARG A 111 8.092 4.105 -11.272 1.00 0.00 N ATOM 1704 CA ARG A 111 8.765 2.872 -11.663 1.00 0.00 C ATOM 1705 C ARG A 111 10.267 3.096 -11.812 1.00 0.00 C ATOM 1706 O ARG A 111 10.711 3.817 -12.706 1.00 0.00 O ATOM 1707 CB ARG A 111 8.185 2.344 -12.977 1.00 0.00 C ATOM 1708 CG ARG A 111 6.680 2.134 -12.937 1.00 0.00 C ATOM 1709 CD ARG A 111 6.317 0.841 -12.222 1.00 0.00 C ATOM 1710 NE ARG A 111 6.565 -0.333 -13.054 1.00 0.00 N ATOM 1711 CZ ARG A 111 5.795 -0.683 -14.079 1.00 0.00 C ATOM 1712 NH1 ARG A 111 4.735 0.047 -14.395 1.00 0.00 N ATOM 1713 NH2 ARG A 111 6.086 -1.765 -14.789 1.00 0.00 N ATOM 0 H ARG A 111 7.431 4.462 -11.962 1.00 0.00 H new ATOM 0 HA ARG A 111 8.601 2.134 -10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.425 3.044 -13.777 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.669 1.399 -13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.207 2.976 -12.431 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.287 2.112 -13.954 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.895 0.761 -11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.265 0.867 -11.937 1.00 0.00 H new ATOM 0 HE ARG A 111 7.373 -0.916 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.509 0.880 -13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.146 -0.224 -15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.901 -2.329 -14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.495 -2.033 -15.576 1.00 0.00 H new TER 1727 ARG A 111