USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 665 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HD1 : A 69 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 46 SER OG : rot -102:sc= 0.0773! USER MOD Set 1.2: A 65 TYR OH : rot -90:sc= 0.34 USER MOD Set 2.1: A 34 ASN : amide:sc= -3.61! C(o=-3.7!,f=-5.1!) USER MOD Set 2.2: A 59 SER OG : rot 180:sc= -0.0786 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 29:sc= 0.752 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -4.87! C(o=-4.9!,f=-5.7!) USER MOD Single : A 17 THR OG1 : rot -140:sc= 0.937 USER MOD Single : A 22 GLN : amide:sc= -0.0782 X(o=-0.078,f=-0.45) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0347 (180deg=-0.309) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0229 K(o=-0.023,f=-0.61) USER MOD Single : A 36 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.7) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= -0.176 (180deg=-1.09) USER MOD Single : A 53 SER OG : rot 34:sc= 0.417 USER MOD Single : A 56 THR OG1 : rot -46:sc= 0.955 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= 0.00678 (180deg=-1.42) USER MOD Single : A 71 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.45) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.257) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.649 -31.175 8.918 1.00 0.00 N ATOM 2 CA GLY A 1 -1.128 -30.452 7.755 1.00 0.00 C ATOM 3 C GLY A 1 -2.416 -29.702 8.029 1.00 0.00 C ATOM 4 O GLY A 1 -3.479 -30.080 7.538 1.00 0.00 O ATOM 0 H1 GLY A 1 0.233 -31.671 8.679 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.471 -30.506 9.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.366 -31.867 9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.363 -29.747 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.286 -31.153 6.935 1.00 0.00 H new ATOM 8 N SER A 2 -2.322 -28.635 8.817 1.00 0.00 N ATOM 9 CA SER A 2 -3.490 -27.833 9.161 1.00 0.00 C ATOM 10 C SER A 2 -3.463 -26.494 8.431 1.00 0.00 C ATOM 11 O SER A 2 -2.851 -25.533 8.897 1.00 0.00 O ATOM 12 CB SER A 2 -3.551 -27.602 10.672 1.00 0.00 C ATOM 13 OG SER A 2 -3.816 -28.811 11.362 1.00 0.00 O ATOM 0 H SER A 2 -1.449 -28.306 9.229 1.00 0.00 H new ATOM 0 HA SER A 2 -4.380 -28.380 8.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.606 -27.182 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.327 -26.872 10.900 1.00 0.00 H new ATOM 0 HG SER A 2 -3.848 -28.637 12.326 1.00 0.00 H new ATOM 19 N SER A 3 -4.131 -26.438 7.283 1.00 0.00 N ATOM 20 CA SER A 3 -4.181 -25.219 6.485 1.00 0.00 C ATOM 21 C SER A 3 -5.302 -25.290 5.453 1.00 0.00 C ATOM 22 O SER A 3 -5.534 -26.333 4.843 1.00 0.00 O ATOM 23 CB SER A 3 -2.841 -24.987 5.785 1.00 0.00 C ATOM 24 OG SER A 3 -2.885 -23.828 4.971 1.00 0.00 O ATOM 0 H SER A 3 -4.645 -27.224 6.885 1.00 0.00 H new ATOM 0 HA SER A 3 -4.382 -24.384 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.052 -24.883 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.591 -25.855 5.175 1.00 0.00 H new ATOM 0 HG SER A 3 -2.016 -23.701 4.536 1.00 0.00 H new ATOM 30 N GLY A 4 -5.996 -24.172 5.263 1.00 0.00 N ATOM 31 CA GLY A 4 -7.084 -24.128 4.304 1.00 0.00 C ATOM 32 C GLY A 4 -7.176 -22.793 3.592 1.00 0.00 C ATOM 33 O GLY A 4 -7.952 -21.923 3.986 1.00 0.00 O ATOM 0 H GLY A 4 -5.824 -23.296 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.948 -24.920 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.025 -24.328 4.817 1.00 0.00 H new ATOM 37 N SER A 5 -6.380 -22.630 2.540 1.00 0.00 N ATOM 38 CA SER A 5 -6.371 -21.389 1.774 1.00 0.00 C ATOM 39 C SER A 5 -6.601 -21.664 0.291 1.00 0.00 C ATOM 40 O SER A 5 -6.409 -22.784 -0.181 1.00 0.00 O ATOM 41 CB SER A 5 -5.042 -20.655 1.967 1.00 0.00 C ATOM 42 OG SER A 5 -4.021 -21.232 1.172 1.00 0.00 O ATOM 0 H SER A 5 -5.733 -23.341 2.199 1.00 0.00 H new ATOM 0 HA SER A 5 -7.182 -20.760 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.162 -19.604 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.753 -20.690 3.017 1.00 0.00 H new ATOM 0 HG SER A 5 -3.183 -20.744 1.312 1.00 0.00 H new ATOM 48 N SER A 6 -7.016 -20.633 -0.438 1.00 0.00 N ATOM 49 CA SER A 6 -7.277 -20.763 -1.867 1.00 0.00 C ATOM 50 C SER A 6 -6.910 -19.479 -2.605 1.00 0.00 C ATOM 51 O SER A 6 -7.587 -18.460 -2.476 1.00 0.00 O ATOM 52 CB SER A 6 -8.750 -21.100 -2.109 1.00 0.00 C ATOM 53 OG SER A 6 -9.596 -20.081 -1.606 1.00 0.00 O ATOM 0 H SER A 6 -7.179 -19.699 -0.063 1.00 0.00 H new ATOM 0 HA SER A 6 -6.658 -21.573 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.926 -21.229 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.993 -22.048 -1.629 1.00 0.00 H new ATOM 0 HG SER A 6 -9.128 -19.220 -1.642 1.00 0.00 H new ATOM 59 N GLY A 7 -5.831 -19.538 -3.380 1.00 0.00 N ATOM 60 CA GLY A 7 -5.392 -18.374 -4.128 1.00 0.00 C ATOM 61 C GLY A 7 -6.134 -18.214 -5.440 1.00 0.00 C ATOM 62 O GLY A 7 -5.585 -18.480 -6.508 1.00 0.00 O ATOM 0 H GLY A 7 -5.254 -20.370 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.537 -17.480 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.323 -18.455 -4.326 1.00 0.00 H new ATOM 66 N MET A 8 -7.387 -17.778 -5.359 1.00 0.00 N ATOM 67 CA MET A 8 -8.206 -17.583 -6.550 1.00 0.00 C ATOM 68 C MET A 8 -9.209 -16.453 -6.341 1.00 0.00 C ATOM 69 O MET A 8 -10.129 -16.567 -5.531 1.00 0.00 O ATOM 70 CB MET A 8 -8.944 -18.875 -6.905 1.00 0.00 C ATOM 71 CG MET A 8 -8.018 -20.016 -7.296 1.00 0.00 C ATOM 72 SD MET A 8 -8.842 -21.619 -7.269 1.00 0.00 S ATOM 73 CE MET A 8 -7.679 -22.581 -6.304 1.00 0.00 C ATOM 0 H MET A 8 -7.857 -17.553 -4.482 1.00 0.00 H new ATOM 0 HA MET A 8 -7.546 -17.312 -7.374 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.549 -19.184 -6.052 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.631 -18.677 -7.728 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.623 -19.832 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.167 -20.038 -6.615 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.049 -23.601 -6.199 1.00 0.00 H new ATOM 0 HE2 MET A 8 -6.713 -22.596 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.566 -22.132 -5.317 1.00 0.00 H new ATOM 83 N LYS A 9 -9.025 -15.361 -7.075 1.00 0.00 N ATOM 84 CA LYS A 9 -9.913 -14.209 -6.972 1.00 0.00 C ATOM 85 C LYS A 9 -9.768 -13.299 -8.187 1.00 0.00 C ATOM 86 O LYS A 9 -8.672 -13.130 -8.721 1.00 0.00 O ATOM 87 CB LYS A 9 -9.615 -13.422 -5.694 1.00 0.00 C ATOM 88 CG LYS A 9 -8.315 -12.639 -5.751 1.00 0.00 C ATOM 89 CD LYS A 9 -8.313 -11.487 -4.760 1.00 0.00 C ATOM 90 CE LYS A 9 -7.111 -10.578 -4.964 1.00 0.00 C ATOM 91 NZ LYS A 9 -6.727 -9.876 -3.708 1.00 0.00 N ATOM 0 H LYS A 9 -8.267 -15.249 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.939 -14.575 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.437 -12.732 -5.502 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.576 -14.113 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.479 -13.305 -5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.166 -12.253 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.230 -10.909 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.305 -11.880 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.267 -11.167 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.338 -9.843 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.904 -9.266 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.523 -9.294 -3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.485 -10.577 -2.979 1.00 0.00 H new ATOM 105 N PHE A 10 -10.881 -12.715 -8.619 1.00 0.00 N ATOM 106 CA PHE A 10 -10.878 -11.821 -9.772 1.00 0.00 C ATOM 107 C PHE A 10 -11.848 -10.662 -9.564 1.00 0.00 C ATOM 108 O PHE A 10 -12.747 -10.735 -8.727 1.00 0.00 O ATOM 109 CB PHE A 10 -11.249 -12.591 -11.041 1.00 0.00 C ATOM 110 CG PHE A 10 -10.070 -13.219 -11.728 1.00 0.00 C ATOM 111 CD1 PHE A 10 -9.605 -14.463 -11.335 1.00 0.00 C ATOM 112 CD2 PHE A 10 -9.427 -12.564 -12.766 1.00 0.00 C ATOM 113 CE1 PHE A 10 -8.520 -15.043 -11.965 1.00 0.00 C ATOM 114 CE2 PHE A 10 -8.341 -13.139 -13.400 1.00 0.00 C ATOM 115 CZ PHE A 10 -7.888 -14.381 -12.999 1.00 0.00 C ATOM 0 H PHE A 10 -11.796 -12.845 -8.188 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.873 -11.414 -9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -11.968 -13.370 -10.787 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -11.745 -11.913 -11.736 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.096 -14.986 -10.527 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.778 -11.593 -13.084 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.167 -16.013 -11.649 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.848 -12.618 -14.207 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.041 -14.833 -13.493 1.00 0.00 H new ATOM 125 N GLN A 11 -11.657 -9.594 -10.332 1.00 0.00 N ATOM 126 CA GLN A 11 -12.515 -8.419 -10.231 1.00 0.00 C ATOM 127 C GLN A 11 -13.987 -8.817 -10.232 1.00 0.00 C ATOM 128 O GLN A 11 -14.332 -9.955 -10.548 1.00 0.00 O ATOM 129 CB GLN A 11 -12.234 -7.456 -11.386 1.00 0.00 C ATOM 130 CG GLN A 11 -10.770 -7.065 -11.510 1.00 0.00 C ATOM 131 CD GLN A 11 -10.358 -6.791 -12.943 1.00 0.00 C ATOM 132 OE1 GLN A 11 -11.104 -7.074 -13.880 1.00 0.00 O ATOM 133 NE2 GLN A 11 -9.164 -6.237 -13.120 1.00 0.00 N ATOM 0 H GLN A 11 -10.917 -9.518 -11.030 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.294 -7.919 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.559 -7.916 -12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.832 -6.555 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.583 -6.177 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.149 -7.863 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.578 -6.019 -12.314 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.833 -6.029 -14.062 1.00 0.00 H new ATOM 142 N ALA A 12 -14.851 -7.872 -9.876 1.00 0.00 N ATOM 143 CA ALA A 12 -16.286 -8.124 -9.838 1.00 0.00 C ATOM 144 C ALA A 12 -16.741 -8.897 -11.071 1.00 0.00 C ATOM 145 O ALA A 12 -15.991 -9.080 -12.030 1.00 0.00 O ATOM 146 CB ALA A 12 -17.049 -6.812 -9.724 1.00 0.00 C ATOM 0 H ALA A 12 -14.582 -6.925 -9.610 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.500 -8.734 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.120 -7.015 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.754 -6.298 -8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.821 -6.183 -10.584 1.00 0.00 H new ATOM 152 N PRO A 13 -17.998 -9.364 -11.047 1.00 0.00 N ATOM 153 CA PRO A 13 -18.580 -10.126 -12.156 1.00 0.00 C ATOM 154 C PRO A 13 -18.820 -9.262 -13.390 1.00 0.00 C ATOM 155 O PRO A 13 -19.708 -8.410 -13.399 1.00 0.00 O ATOM 156 CB PRO A 13 -19.911 -10.623 -11.584 1.00 0.00 C ATOM 157 CG PRO A 13 -20.256 -9.640 -10.519 1.00 0.00 C ATOM 158 CD PRO A 13 -18.947 -9.184 -9.936 1.00 0.00 C ATOM 0 HA PRO A 13 -17.920 -10.925 -12.493 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -20.683 -10.661 -12.353 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.816 -11.630 -11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -20.814 -8.799 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -20.885 -10.097 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -18.992 -8.145 -9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -18.665 -9.778 -9.067 1.00 0.00 H new ATOM 166 N ALA A 14 -18.024 -9.489 -14.429 1.00 0.00 N ATOM 167 CA ALA A 14 -18.152 -8.733 -15.669 1.00 0.00 C ATOM 168 C ALA A 14 -17.808 -7.263 -15.453 1.00 0.00 C ATOM 169 O ALA A 14 -18.538 -6.375 -15.893 1.00 0.00 O ATOM 170 CB ALA A 14 -19.560 -8.872 -16.228 1.00 0.00 C ATOM 0 H ALA A 14 -17.283 -10.190 -14.437 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.445 -9.142 -16.391 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.642 -8.303 -17.154 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.770 -9.923 -16.428 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.279 -8.490 -15.503 1.00 0.00 H new ATOM 176 N ARG A 15 -16.694 -7.014 -14.774 1.00 0.00 N ATOM 177 CA ARG A 15 -16.255 -5.651 -14.498 1.00 0.00 C ATOM 178 C ARG A 15 -14.949 -5.649 -13.710 1.00 0.00 C ATOM 179 O ARG A 15 -14.538 -6.676 -13.169 1.00 0.00 O ATOM 180 CB ARG A 15 -17.333 -4.893 -13.722 1.00 0.00 C ATOM 181 CG ARG A 15 -17.578 -5.441 -12.326 1.00 0.00 C ATOM 182 CD ARG A 15 -18.891 -4.934 -11.750 1.00 0.00 C ATOM 183 NE ARG A 15 -20.007 -5.823 -12.066 1.00 0.00 N ATOM 184 CZ ARG A 15 -21.122 -5.886 -11.347 1.00 0.00 C ATOM 185 NH1 ARG A 15 -21.269 -5.118 -10.277 1.00 0.00 N ATOM 186 NH2 ARG A 15 -22.093 -6.720 -11.699 1.00 0.00 N ATOM 0 H ARG A 15 -16.078 -7.738 -14.404 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.084 -5.151 -15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.044 -3.845 -13.646 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.266 -4.927 -14.285 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.591 -6.530 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.756 -5.151 -11.671 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.799 -4.838 -10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.098 -3.938 -12.142 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.925 -6.428 -12.883 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.525 -4.476 -10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.126 -5.169 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.983 -7.313 -12.522 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.949 -6.768 -11.147 1.00 0.00 H new ATOM 200 N GLU A 16 -14.302 -4.489 -13.649 1.00 0.00 N ATOM 201 CA GLU A 16 -13.042 -4.355 -12.928 1.00 0.00 C ATOM 202 C GLU A 16 -13.261 -3.703 -11.566 1.00 0.00 C ATOM 203 O GLU A 16 -14.209 -2.941 -11.374 1.00 0.00 O ATOM 204 CB GLU A 16 -12.046 -3.531 -13.745 1.00 0.00 C ATOM 205 CG GLU A 16 -11.774 -4.100 -15.128 1.00 0.00 C ATOM 206 CD GLU A 16 -12.725 -3.560 -16.178 1.00 0.00 C ATOM 207 OE1 GLU A 16 -12.565 -2.387 -16.575 1.00 0.00 O ATOM 208 OE2 GLU A 16 -13.629 -4.310 -16.603 1.00 0.00 O ATOM 0 H GLU A 16 -14.630 -3.630 -14.090 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.635 -5.354 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.426 -2.515 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.106 -3.465 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.749 -3.867 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.857 -5.186 -15.093 1.00 0.00 H new ATOM 215 N THR A 17 -12.378 -4.009 -10.620 1.00 0.00 N ATOM 216 CA THR A 17 -12.475 -3.456 -9.276 1.00 0.00 C ATOM 217 C THR A 17 -11.109 -3.014 -8.763 1.00 0.00 C ATOM 218 O THR A 17 -10.081 -3.574 -9.144 1.00 0.00 O ATOM 219 CB THR A 17 -13.076 -4.476 -8.290 1.00 0.00 C ATOM 220 OG1 THR A 17 -14.015 -5.317 -8.968 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.764 -3.769 -7.132 1.00 0.00 C ATOM 0 H THR A 17 -11.587 -4.638 -10.761 1.00 0.00 H new ATOM 0 HA THR A 17 -13.134 -2.590 -9.338 1.00 0.00 H new ATOM 0 HB THR A 17 -12.265 -5.085 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.790 -5.476 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.180 -4.510 -6.449 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.040 -3.152 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.566 -3.138 -7.516 1.00 0.00 H new ATOM 229 N CYS A 18 -11.105 -2.007 -7.896 1.00 0.00 N ATOM 230 CA CYS A 18 -9.865 -1.490 -7.330 1.00 0.00 C ATOM 231 C CYS A 18 -9.294 -2.457 -6.296 1.00 0.00 C ATOM 232 O CYS A 18 -10.021 -2.980 -5.451 1.00 0.00 O ATOM 233 CB CYS A 18 -10.105 -0.122 -6.687 1.00 0.00 C ATOM 234 SG CYS A 18 -8.588 0.701 -6.105 1.00 0.00 S ATOM 0 H CYS A 18 -11.947 -1.533 -7.570 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.143 -1.382 -8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.603 0.525 -7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.786 -0.243 -5.845 1.00 0.00 H new ATOM 239 N VAL A 19 -7.988 -2.690 -6.370 1.00 0.00 N ATOM 240 CA VAL A 19 -7.318 -3.592 -5.441 1.00 0.00 C ATOM 241 C VAL A 19 -6.843 -2.848 -4.198 1.00 0.00 C ATOM 242 O VAL A 19 -6.027 -3.358 -3.432 1.00 0.00 O ATOM 243 CB VAL A 19 -6.112 -4.285 -6.103 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.567 -5.151 -7.268 1.00 0.00 C ATOM 245 CG2 VAL A 19 -5.090 -3.255 -6.560 1.00 0.00 C ATOM 0 H VAL A 19 -7.372 -2.266 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.048 -4.348 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.637 -4.931 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.702 -5.632 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.258 -5.913 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.068 -4.529 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.245 -3.763 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.551 -2.581 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.741 -2.683 -5.701 1.00 0.00 H new ATOM 255 N GLU A 20 -7.361 -1.638 -4.005 1.00 0.00 N ATOM 256 CA GLU A 20 -6.989 -0.824 -2.855 1.00 0.00 C ATOM 257 C GLU A 20 -8.203 -0.537 -1.975 1.00 0.00 C ATOM 258 O GLU A 20 -8.197 -0.824 -0.778 1.00 0.00 O ATOM 259 CB GLU A 20 -6.358 0.492 -3.316 1.00 0.00 C ATOM 260 CG GLU A 20 -4.914 0.349 -3.768 1.00 0.00 C ATOM 261 CD GLU A 20 -3.925 0.560 -2.637 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.580 -0.431 -1.960 1.00 0.00 O ATOM 263 OE2 GLU A 20 -3.497 1.714 -2.430 1.00 0.00 O ATOM 0 H GLU A 20 -8.039 -1.201 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.260 -1.383 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.948 0.900 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.405 1.213 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.767 -0.644 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.712 1.069 -4.561 1.00 0.00 H new ATOM 270 N CYS A 21 -9.242 0.030 -2.578 1.00 0.00 N ATOM 271 CA CYS A 21 -10.463 0.357 -1.852 1.00 0.00 C ATOM 272 C CYS A 21 -11.558 -0.665 -2.141 1.00 0.00 C ATOM 273 O CYS A 21 -12.583 -0.700 -1.461 1.00 0.00 O ATOM 274 CB CYS A 21 -10.946 1.759 -2.229 1.00 0.00 C ATOM 275 SG CYS A 21 -11.283 1.976 -4.006 1.00 0.00 S ATOM 0 H CYS A 21 -9.263 0.273 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.239 0.332 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.854 1.982 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.194 2.486 -1.921 1.00 0.00 H new ATOM 280 N GLN A 22 -11.332 -1.495 -3.155 1.00 0.00 N ATOM 281 CA GLN A 22 -12.300 -2.518 -3.534 1.00 0.00 C ATOM 282 C GLN A 22 -13.576 -1.884 -4.080 1.00 0.00 C ATOM 283 O GLN A 22 -14.678 -2.195 -3.629 1.00 0.00 O ATOM 284 CB GLN A 22 -12.631 -3.407 -2.334 1.00 0.00 C ATOM 285 CG GLN A 22 -11.406 -4.019 -1.674 1.00 0.00 C ATOM 286 CD GLN A 22 -10.570 -4.835 -2.640 1.00 0.00 C ATOM 287 OE1 GLN A 22 -11.099 -5.488 -3.540 1.00 0.00 O ATOM 288 NE2 GLN A 22 -9.254 -4.801 -2.460 1.00 0.00 N ATOM 0 H GLN A 22 -10.488 -1.479 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.855 -3.130 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.175 -2.818 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.297 -4.207 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.792 -3.225 -1.249 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.723 -4.654 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.857 -4.247 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.641 -5.329 -3.081 1.00 0.00 H new ATOM 297 N LYS A 23 -13.418 -0.994 -5.054 1.00 0.00 N ATOM 298 CA LYS A 23 -14.556 -0.317 -5.663 1.00 0.00 C ATOM 299 C LYS A 23 -14.536 -0.475 -7.180 1.00 0.00 C ATOM 300 O LYS A 23 -13.483 -0.370 -7.811 1.00 0.00 O ATOM 301 CB LYS A 23 -14.550 1.169 -5.294 1.00 0.00 C ATOM 302 CG LYS A 23 -15.280 1.477 -3.998 1.00 0.00 C ATOM 303 CD LYS A 23 -14.453 1.084 -2.785 1.00 0.00 C ATOM 304 CE LYS A 23 -15.257 1.202 -1.500 1.00 0.00 C ATOM 305 NZ LYS A 23 -16.377 0.222 -1.455 1.00 0.00 N ATOM 0 H LYS A 23 -12.512 -0.725 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.467 -0.777 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.518 1.510 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.008 1.738 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.510 2.541 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.231 0.944 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.099 0.060 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.571 1.721 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.600 1.043 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.655 2.213 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.717 0.128 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.154 0.555 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.044 -0.702 -1.796 1.00 0.00 H new ATOM 319 N THR A 24 -15.705 -0.726 -7.761 1.00 0.00 N ATOM 320 CA THR A 24 -15.820 -0.898 -9.203 1.00 0.00 C ATOM 321 C THR A 24 -15.084 0.208 -9.950 1.00 0.00 C ATOM 322 O THR A 24 -15.565 1.338 -10.037 1.00 0.00 O ATOM 323 CB THR A 24 -17.294 -0.911 -9.651 1.00 0.00 C ATOM 324 OG1 THR A 24 -18.050 -1.801 -8.822 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.414 -1.340 -11.106 1.00 0.00 C ATOM 0 H THR A 24 -16.586 -0.815 -7.254 1.00 0.00 H new ATOM 0 HA THR A 24 -15.366 -1.859 -9.443 1.00 0.00 H new ATOM 0 HB THR A 24 -17.689 0.100 -9.553 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.986 -1.802 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.464 -1.342 -11.399 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.862 -0.644 -11.737 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.003 -2.342 -11.225 1.00 0.00 H new ATOM 333 N VAL A 25 -13.915 -0.124 -10.487 1.00 0.00 N ATOM 334 CA VAL A 25 -13.112 0.842 -11.228 1.00 0.00 C ATOM 335 C VAL A 25 -13.698 1.096 -12.613 1.00 0.00 C ATOM 336 O VAL A 25 -13.956 0.161 -13.370 1.00 0.00 O ATOM 337 CB VAL A 25 -11.656 0.364 -11.379 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.866 1.325 -12.255 1.00 0.00 C ATOM 339 CG2 VAL A 25 -11.001 0.212 -10.015 1.00 0.00 C ATOM 0 H VAL A 25 -13.502 -1.055 -10.423 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.124 1.769 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.661 -0.612 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.840 0.971 -12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.325 1.378 -13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.867 2.316 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.973 -0.127 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.006 1.173 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.554 -0.519 -9.425 1.00 0.00 H new ATOM 349 N TYR A 26 -13.905 2.368 -12.937 1.00 0.00 N ATOM 350 CA TYR A 26 -14.463 2.746 -14.230 1.00 0.00 C ATOM 351 C TYR A 26 -13.372 2.814 -15.295 1.00 0.00 C ATOM 352 O TYR A 26 -12.180 2.888 -14.995 1.00 0.00 O ATOM 353 CB TYR A 26 -15.175 4.095 -14.127 1.00 0.00 C ATOM 354 CG TYR A 26 -16.646 3.980 -13.794 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.062 3.521 -12.550 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.618 4.328 -14.723 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.405 3.413 -12.242 1.00 0.00 C ATOM 358 CE2 TYR A 26 -18.962 4.225 -14.423 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.351 3.767 -13.181 1.00 0.00 C ATOM 360 OH TYR A 26 -20.689 3.661 -12.879 1.00 0.00 O ATOM 0 H TYR A 26 -13.695 3.154 -12.322 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.185 1.983 -14.523 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.684 4.698 -13.363 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.066 4.627 -15.072 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.324 3.244 -11.812 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.318 4.685 -15.697 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.712 3.053 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.705 4.501 -15.157 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.222 3.951 -13.648 1.00 0.00 H new ATOM 370 N PRO A 27 -13.789 2.788 -16.569 1.00 0.00 N ATOM 371 CA PRO A 27 -12.864 2.847 -17.706 1.00 0.00 C ATOM 372 C PRO A 27 -12.205 4.215 -17.846 1.00 0.00 C ATOM 373 O PRO A 27 -11.460 4.461 -18.794 1.00 0.00 O ATOM 374 CB PRO A 27 -13.764 2.562 -18.910 1.00 0.00 C ATOM 375 CG PRO A 27 -15.125 2.984 -18.475 1.00 0.00 C ATOM 376 CD PRO A 27 -15.194 2.701 -16.999 1.00 0.00 C ATOM 0 HA PRO A 27 -12.039 2.143 -17.597 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.439 3.120 -19.788 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.744 1.506 -19.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.289 4.042 -18.678 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.896 2.433 -19.014 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.819 3.427 -16.479 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.616 1.716 -16.798 1.00 0.00 H new ATOM 384 N MET A 28 -12.483 5.101 -16.896 1.00 0.00 N ATOM 385 CA MET A 28 -11.915 6.444 -16.913 1.00 0.00 C ATOM 386 C MET A 28 -10.849 6.598 -15.833 1.00 0.00 C ATOM 387 O MET A 28 -9.952 7.431 -15.948 1.00 0.00 O ATOM 388 CB MET A 28 -13.014 7.489 -16.714 1.00 0.00 C ATOM 389 CG MET A 28 -13.649 7.448 -15.334 1.00 0.00 C ATOM 390 SD MET A 28 -14.837 8.779 -15.075 1.00 0.00 S ATOM 391 CE MET A 28 -13.944 9.810 -13.915 1.00 0.00 C ATOM 0 H MET A 28 -13.098 4.913 -16.104 1.00 0.00 H new ATOM 0 HA MET A 28 -11.447 6.600 -17.885 1.00 0.00 H new ATOM 0 HB2 MET A 28 -12.595 8.481 -16.883 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.788 7.338 -17.466 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.148 6.489 -15.197 1.00 0.00 H new ATOM 0 HG3 MET A 28 -12.867 7.512 -14.577 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.551 10.678 -13.657 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.727 9.238 -13.013 1.00 0.00 H new ATOM 0 HE3 MET A 28 -13.010 10.142 -14.368 1.00 0.00 H new ATOM 401 N GLU A 29 -10.956 5.788 -14.783 1.00 0.00 N ATOM 402 CA GLU A 29 -10.001 5.837 -13.682 1.00 0.00 C ATOM 403 C GLU A 29 -9.324 4.483 -13.489 1.00 0.00 C ATOM 404 O GLU A 29 -8.896 4.142 -12.387 1.00 0.00 O ATOM 405 CB GLU A 29 -10.701 6.258 -12.389 1.00 0.00 C ATOM 406 CG GLU A 29 -11.969 5.472 -12.099 1.00 0.00 C ATOM 407 CD GLU A 29 -12.499 5.713 -10.699 1.00 0.00 C ATOM 408 OE1 GLU A 29 -11.679 5.944 -9.786 1.00 0.00 O ATOM 409 OE2 GLU A 29 -13.733 5.672 -10.517 1.00 0.00 O ATOM 0 H GLU A 29 -11.693 5.092 -14.672 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.237 6.574 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.010 6.136 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.946 7.318 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.735 5.745 -12.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.770 4.408 -12.230 1.00 0.00 H new ATOM 416 N ARG A 30 -9.232 3.715 -14.570 1.00 0.00 N ATOM 417 CA ARG A 30 -8.609 2.397 -14.520 1.00 0.00 C ATOM 418 C ARG A 30 -7.115 2.491 -14.814 1.00 0.00 C ATOM 419 O ARG A 30 -6.699 2.514 -15.973 1.00 0.00 O ATOM 420 CB ARG A 30 -9.278 1.455 -15.523 1.00 0.00 C ATOM 421 CG ARG A 30 -8.561 0.125 -15.681 1.00 0.00 C ATOM 422 CD ARG A 30 -9.120 -0.675 -16.847 1.00 0.00 C ATOM 423 NE ARG A 30 -8.535 -2.011 -16.925 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.406 -2.282 -17.570 1.00 0.00 C ATOM 425 NH1 ARG A 30 -6.743 -1.315 -18.189 1.00 0.00 N ATOM 426 NH2 ARG A 30 -6.938 -3.524 -17.597 1.00 0.00 N ATOM 0 H ARG A 30 -9.581 3.982 -15.491 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.740 1.999 -13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.304 1.269 -15.206 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.329 1.948 -16.494 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.496 0.301 -15.836 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.658 -0.453 -14.762 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.202 -0.759 -16.744 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.929 -0.141 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.020 -2.778 -16.459 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.100 -0.360 -18.171 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.876 -1.527 -18.683 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.445 -4.271 -17.122 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.071 -3.732 -18.092 1.00 0.00 H new ATOM 440 N LEU A 31 -6.312 2.545 -13.757 1.00 0.00 N ATOM 441 CA LEU A 31 -4.863 2.636 -13.900 1.00 0.00 C ATOM 442 C LEU A 31 -4.205 1.282 -13.659 1.00 0.00 C ATOM 443 O LEU A 31 -4.248 0.747 -12.550 1.00 0.00 O ATOM 444 CB LEU A 31 -4.299 3.671 -12.925 1.00 0.00 C ATOM 445 CG LEU A 31 -2.781 3.857 -12.948 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.419 5.317 -12.721 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.119 2.972 -11.902 1.00 0.00 C ATOM 0 H LEU A 31 -6.640 2.527 -12.791 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.643 2.949 -14.921 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.766 4.633 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.595 3.388 -11.915 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.413 3.561 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.335 5.430 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.862 5.928 -13.507 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.800 5.640 -11.752 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.039 3.118 -11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.493 3.236 -10.913 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.350 1.927 -12.110 1.00 0.00 H new ATOM 459 N LEU A 32 -3.594 0.732 -14.703 1.00 0.00 N ATOM 460 CA LEU A 32 -2.924 -0.560 -14.605 1.00 0.00 C ATOM 461 C LEU A 32 -1.621 -0.439 -13.822 1.00 0.00 C ATOM 462 O LEU A 32 -0.757 0.371 -14.156 1.00 0.00 O ATOM 463 CB LEU A 32 -2.645 -1.119 -16.001 1.00 0.00 C ATOM 464 CG LEU A 32 -2.699 -2.641 -16.137 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.683 -3.296 -15.215 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.100 -3.154 -15.840 1.00 0.00 C ATOM 0 H LEU A 32 -3.549 1.161 -15.627 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.584 -1.245 -14.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.366 -0.686 -16.695 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.658 -0.781 -16.315 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.448 -2.903 -17.165 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.736 -4.379 -15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.682 -2.953 -15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.902 -3.026 -14.182 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.119 -4.239 -15.942 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.380 -2.880 -14.823 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.806 -2.711 -16.542 1.00 0.00 H new ATOM 478 N ALA A 33 -1.485 -1.253 -12.780 1.00 0.00 N ATOM 479 CA ALA A 33 -0.285 -1.240 -11.953 1.00 0.00 C ATOM 480 C ALA A 33 0.045 -2.639 -11.442 1.00 0.00 C ATOM 481 O ALA A 33 -0.668 -3.188 -10.603 1.00 0.00 O ATOM 482 CB ALA A 33 -0.458 -0.278 -10.787 1.00 0.00 C ATOM 0 H ALA A 33 -2.191 -1.929 -12.489 1.00 0.00 H new ATOM 0 HA ALA A 33 0.547 -0.901 -12.570 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.446 -0.278 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.638 0.727 -11.168 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.306 -0.593 -10.178 1.00 0.00 H new ATOM 488 N ASN A 34 1.130 -3.211 -11.956 1.00 0.00 N ATOM 489 CA ASN A 34 1.553 -4.547 -11.552 1.00 0.00 C ATOM 490 C ASN A 34 0.490 -5.583 -11.904 1.00 0.00 C ATOM 491 O ASN A 34 0.109 -6.402 -11.069 1.00 0.00 O ATOM 492 CB ASN A 34 1.838 -4.582 -10.049 1.00 0.00 C ATOM 493 CG ASN A 34 3.287 -4.270 -9.728 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.752 -3.149 -9.933 1.00 0.00 O ATOM 495 ND2 ASN A 34 4.008 -5.264 -9.223 1.00 0.00 N ATOM 0 H ASN A 34 1.731 -2.770 -12.652 1.00 0.00 H new ATOM 0 HA ASN A 34 2.467 -4.791 -12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.194 -3.863 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.586 -5.567 -9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.989 -5.114 -8.988 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.581 -6.177 -9.070 1.00 0.00 H new ATOM 502 N GLN A 35 0.018 -5.541 -13.146 1.00 0.00 N ATOM 503 CA GLN A 35 -1.001 -6.476 -13.608 1.00 0.00 C ATOM 504 C GLN A 35 -2.220 -6.449 -12.692 1.00 0.00 C ATOM 505 O GLN A 35 -2.818 -7.487 -12.410 1.00 0.00 O ATOM 506 CB GLN A 35 -0.429 -7.894 -13.674 1.00 0.00 C ATOM 507 CG GLN A 35 0.795 -8.015 -14.567 1.00 0.00 C ATOM 508 CD GLN A 35 0.921 -9.386 -15.201 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.369 -10.367 -14.702 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.651 -9.461 -16.308 1.00 0.00 N ATOM 0 H GLN A 35 0.325 -4.870 -13.850 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.313 -6.170 -14.607 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.167 -8.219 -12.667 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.202 -8.572 -14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.744 -7.260 -15.351 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.690 -7.806 -13.981 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.091 -8.622 -16.687 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.772 -10.357 -16.779 1.00 0.00 H new ATOM 519 N GLN A 36 -2.582 -5.256 -12.231 1.00 0.00 N ATOM 520 CA GLN A 36 -3.729 -5.095 -11.346 1.00 0.00 C ATOM 521 C GLN A 36 -4.383 -3.732 -11.545 1.00 0.00 C ATOM 522 O GLN A 36 -3.713 -2.752 -11.869 1.00 0.00 O ATOM 523 CB GLN A 36 -3.302 -5.261 -9.887 1.00 0.00 C ATOM 524 CG GLN A 36 -3.281 -6.707 -9.420 1.00 0.00 C ATOM 525 CD GLN A 36 -3.450 -6.838 -7.919 1.00 0.00 C ATOM 526 OE1 GLN A 36 -4.353 -7.526 -7.442 1.00 0.00 O ATOM 527 NE2 GLN A 36 -2.579 -6.178 -7.165 1.00 0.00 N ATOM 0 H GLN A 36 -2.097 -4.387 -12.456 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.458 -5.867 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.309 -4.831 -9.757 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.981 -4.693 -9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.077 -7.258 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.339 -7.167 -9.717 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.846 -5.619 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.643 -6.230 -6.148 1.00 0.00 H new ATOM 536 N VAL A 37 -5.697 -3.677 -11.350 1.00 0.00 N ATOM 537 CA VAL A 37 -6.442 -2.434 -11.507 1.00 0.00 C ATOM 538 C VAL A 37 -6.267 -1.530 -10.292 1.00 0.00 C ATOM 539 O VAL A 37 -6.578 -1.919 -9.166 1.00 0.00 O ATOM 540 CB VAL A 37 -7.944 -2.702 -11.722 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.695 -1.396 -11.931 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.154 -3.643 -12.898 1.00 0.00 C ATOM 0 H VAL A 37 -6.267 -4.479 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.040 -1.934 -12.388 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.342 -3.182 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.754 -1.605 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.571 -0.761 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.298 -0.885 -12.808 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.221 -3.821 -13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.742 -3.194 -13.802 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.650 -4.589 -12.701 1.00 0.00 H new ATOM 552 N PHE A 38 -5.766 -0.322 -10.527 1.00 0.00 N ATOM 553 CA PHE A 38 -5.549 0.638 -9.451 1.00 0.00 C ATOM 554 C PHE A 38 -6.191 1.982 -9.783 1.00 0.00 C ATOM 555 O PHE A 38 -6.319 2.350 -10.951 1.00 0.00 O ATOM 556 CB PHE A 38 -4.051 0.823 -9.199 1.00 0.00 C ATOM 557 CG PHE A 38 -3.458 -0.231 -8.309 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.506 -0.100 -6.931 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.852 -1.353 -8.851 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.960 -1.069 -6.110 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.304 -2.325 -8.035 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.359 -2.183 -6.663 1.00 0.00 C ATOM 0 H PHE A 38 -5.503 0.015 -11.453 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.017 0.246 -8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.527 0.817 -10.155 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.885 1.802 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.975 0.769 -6.493 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.807 -1.470 -9.924 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.003 -0.955 -5.037 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.834 -3.194 -8.470 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.933 -2.942 -6.023 1.00 0.00 H new ATOM 572 N HIS A 39 -6.592 2.711 -8.746 1.00 0.00 N ATOM 573 CA HIS A 39 -7.221 4.015 -8.927 1.00 0.00 C ATOM 574 C HIS A 39 -6.170 5.118 -9.008 1.00 0.00 C ATOM 575 O HIS A 39 -5.326 5.251 -8.122 1.00 0.00 O ATOM 576 CB HIS A 39 -8.190 4.301 -7.779 1.00 0.00 C ATOM 577 CG HIS A 39 -9.590 3.844 -8.050 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.468 3.476 -7.052 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.265 3.699 -9.214 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.621 3.123 -7.591 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.524 3.249 -8.902 1.00 0.00 N ATOM 0 H HIS A 39 -6.493 2.422 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.776 3.996 -9.865 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.825 3.812 -6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.198 5.373 -7.580 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.884 3.900 -10.204 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.495 2.788 -7.051 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.264 3.045 -9.574 1.00 0.00 H new ATOM 589 N ILE A 40 -6.228 5.906 -10.077 1.00 0.00 N ATOM 590 CA ILE A 40 -5.282 6.997 -10.273 1.00 0.00 C ATOM 591 C ILE A 40 -5.013 7.733 -8.965 1.00 0.00 C ATOM 592 O ILE A 40 -3.976 8.377 -8.805 1.00 0.00 O ATOM 593 CB ILE A 40 -5.793 8.004 -11.320 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.679 7.413 -12.726 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.016 9.309 -11.224 1.00 0.00 C ATOM 596 CD1 ILE A 40 -6.957 6.768 -13.216 1.00 0.00 C ATOM 0 H ILE A 40 -6.920 5.809 -10.820 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.355 6.550 -10.633 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.843 8.213 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.390 8.202 -13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.880 6.671 -12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.389 10.010 -11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.143 9.736 -10.229 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.958 9.117 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.803 6.371 -14.219 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.236 5.957 -12.543 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.754 7.511 -13.239 1.00 0.00 H new ATOM 608 N SER A 41 -5.954 7.632 -8.031 1.00 0.00 N ATOM 609 CA SER A 41 -5.820 8.290 -6.736 1.00 0.00 C ATOM 610 C SER A 41 -5.261 7.327 -5.693 1.00 0.00 C ATOM 611 O SER A 41 -4.260 7.617 -5.037 1.00 0.00 O ATOM 612 CB SER A 41 -7.173 8.832 -6.274 1.00 0.00 C ATOM 613 OG SER A 41 -7.624 9.872 -7.125 1.00 0.00 O ATOM 0 H SER A 41 -6.817 7.101 -8.147 1.00 0.00 H new ATOM 0 HA SER A 41 -5.123 9.121 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.906 8.025 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.090 9.204 -5.253 1.00 0.00 H new ATOM 0 HG SER A 41 -8.492 10.200 -6.809 1.00 0.00 H new ATOM 619 N CYS A 42 -5.916 6.180 -5.545 1.00 0.00 N ATOM 620 CA CYS A 42 -5.487 5.173 -4.582 1.00 0.00 C ATOM 621 C CYS A 42 -4.003 4.857 -4.749 1.00 0.00 C ATOM 622 O CYS A 42 -3.289 4.642 -3.770 1.00 0.00 O ATOM 623 CB CYS A 42 -6.313 3.896 -4.746 1.00 0.00 C ATOM 624 SG CYS A 42 -8.080 4.098 -4.348 1.00 0.00 S ATOM 0 H CYS A 42 -6.746 5.925 -6.080 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.644 5.574 -3.581 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.221 3.546 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.894 3.120 -4.106 1.00 0.00 H new ATOM 629 N PHE A 43 -3.547 4.832 -5.997 1.00 0.00 N ATOM 630 CA PHE A 43 -2.149 4.542 -6.294 1.00 0.00 C ATOM 631 C PHE A 43 -1.222 5.328 -5.371 1.00 0.00 C ATOM 632 O PHE A 43 -0.880 6.477 -5.651 1.00 0.00 O ATOM 633 CB PHE A 43 -1.836 4.875 -7.754 1.00 0.00 C ATOM 634 CG PHE A 43 -0.743 4.028 -8.341 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.766 2.649 -8.202 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.308 4.610 -9.031 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.239 1.868 -8.740 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.316 3.834 -9.572 1.00 0.00 C ATOM 639 CZ PHE A 43 1.280 2.461 -9.427 1.00 0.00 C ATOM 0 H PHE A 43 -4.125 5.009 -6.819 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.982 3.478 -6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.741 4.750 -8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.550 5.924 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.579 2.180 -7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.340 5.683 -9.148 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.210 0.795 -8.623 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.130 4.300 -10.107 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.065 1.852 -9.850 1.00 0.00 H new ATOM 649 N ARG A 44 -0.821 4.701 -4.271 1.00 0.00 N ATOM 650 CA ARG A 44 0.064 5.342 -3.306 1.00 0.00 C ATOM 651 C ARG A 44 0.989 4.319 -2.654 1.00 0.00 C ATOM 652 O ARG A 44 0.788 3.111 -2.784 1.00 0.00 O ATOM 653 CB ARG A 44 -0.753 6.063 -2.232 1.00 0.00 C ATOM 654 CG ARG A 44 -1.748 7.065 -2.795 1.00 0.00 C ATOM 655 CD ARG A 44 -2.712 7.553 -1.726 1.00 0.00 C ATOM 656 NE ARG A 44 -3.898 6.706 -1.630 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.815 6.830 -0.677 1.00 0.00 C ATOM 658 NH1 ARG A 44 -4.683 7.761 0.258 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.867 6.021 -0.657 1.00 0.00 N ATOM 0 H ARG A 44 -1.095 3.750 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 44 0.674 6.071 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.291 5.323 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.072 6.580 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.211 7.914 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.308 6.605 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.203 7.575 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.014 8.576 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.029 5.979 -2.334 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.876 8.384 0.247 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.389 7.854 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.972 5.303 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.570 6.117 0.075 1.00 0.00 H new ATOM 673 N CYS A 45 2.005 4.810 -1.952 1.00 0.00 N ATOM 674 CA CYS A 45 2.963 3.940 -1.280 1.00 0.00 C ATOM 675 C CYS A 45 2.360 3.345 -0.011 1.00 0.00 C ATOM 676 O CYS A 45 1.713 4.044 0.769 1.00 0.00 O ATOM 677 CB CYS A 45 4.236 4.716 -0.937 1.00 0.00 C ATOM 678 SG CYS A 45 5.451 3.763 0.029 1.00 0.00 S ATOM 0 H CYS A 45 2.186 5.807 -1.834 1.00 0.00 H new ATOM 0 HA CYS A 45 3.214 3.125 -1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.705 5.050 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.964 5.610 -0.377 1.00 0.00 H new ATOM 683 N SER A 46 2.577 2.049 0.190 1.00 0.00 N ATOM 684 CA SER A 46 2.052 1.358 1.362 1.00 0.00 C ATOM 685 C SER A 46 2.913 1.641 2.590 1.00 0.00 C ATOM 686 O SER A 46 2.864 0.908 3.578 1.00 0.00 O ATOM 687 CB SER A 46 1.989 -0.149 1.106 1.00 0.00 C ATOM 688 OG SER A 46 3.231 -0.768 1.394 1.00 0.00 O ATOM 0 H SER A 46 3.113 1.456 -0.444 1.00 0.00 H new ATOM 0 HA SER A 46 1.045 1.730 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.207 -0.593 1.721 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.720 -0.333 0.066 1.00 0.00 H new ATOM 0 HG SER A 46 3.711 -0.943 0.558 1.00 0.00 H new ATOM 694 N TYR A 47 3.700 2.709 2.519 1.00 0.00 N ATOM 695 CA TYR A 47 4.574 3.088 3.623 1.00 0.00 C ATOM 696 C TYR A 47 4.296 4.521 4.069 1.00 0.00 C ATOM 697 O TYR A 47 4.063 4.781 5.250 1.00 0.00 O ATOM 698 CB TYR A 47 6.041 2.946 3.212 1.00 0.00 C ATOM 699 CG TYR A 47 7.000 2.951 4.381 1.00 0.00 C ATOM 700 CD1 TYR A 47 7.035 4.018 5.271 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.871 1.890 4.595 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.910 4.027 6.340 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.749 1.891 5.662 1.00 0.00 C ATOM 704 CZ TYR A 47 8.765 2.962 6.531 1.00 0.00 C ATOM 705 OH TYR A 47 9.638 2.967 7.594 1.00 0.00 O ATOM 0 H TYR A 47 3.751 3.327 1.709 1.00 0.00 H new ATOM 0 HA TYR A 47 4.372 2.419 4.460 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.165 2.018 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.301 3.761 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.367 4.854 5.124 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.862 1.050 3.916 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.924 4.864 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.419 1.058 5.815 1.00 0.00 H new ATOM 0 HH TYR A 47 10.169 2.143 7.585 1.00 0.00 H new ATOM 715 N CYS A 48 4.323 5.446 3.116 1.00 0.00 N ATOM 716 CA CYS A 48 4.075 6.853 3.409 1.00 0.00 C ATOM 717 C CYS A 48 2.686 7.270 2.933 1.00 0.00 C ATOM 718 O CYS A 48 2.152 8.291 3.364 1.00 0.00 O ATOM 719 CB CYS A 48 5.138 7.729 2.744 1.00 0.00 C ATOM 720 SG CYS A 48 5.518 7.262 1.024 1.00 0.00 S ATOM 0 H CYS A 48 4.514 5.247 2.134 1.00 0.00 H new ATOM 0 HA CYS A 48 4.126 6.988 4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.802 8.766 2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.054 7.680 3.333 1.00 0.00 H new ATOM 725 N ASN A 49 2.107 6.472 2.041 1.00 0.00 N ATOM 726 CA ASN A 49 0.781 6.758 1.507 1.00 0.00 C ATOM 727 C ASN A 49 0.793 8.040 0.679 1.00 0.00 C ATOM 728 O ASN A 49 -0.049 8.917 0.862 1.00 0.00 O ATOM 729 CB ASN A 49 -0.234 6.882 2.644 1.00 0.00 C ATOM 730 CG ASN A 49 -1.644 7.117 2.137 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.142 8.242 2.154 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.295 6.051 1.685 1.00 0.00 N ATOM 0 H ASN A 49 2.536 5.623 1.673 1.00 0.00 H new ATOM 0 HA ASN A 49 0.491 5.930 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.214 5.974 3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.056 7.704 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.248 6.146 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.842 5.137 1.690 1.00 0.00 H new ATOM 739 N ASN A 50 1.755 8.139 -0.233 1.00 0.00 N ATOM 740 CA ASN A 50 1.877 9.313 -1.090 1.00 0.00 C ATOM 741 C ASN A 50 1.422 8.999 -2.512 1.00 0.00 C ATOM 742 O ASN A 50 1.566 7.873 -2.987 1.00 0.00 O ATOM 743 CB ASN A 50 3.323 9.812 -1.104 1.00 0.00 C ATOM 744 CG ASN A 50 3.804 10.230 0.273 1.00 0.00 C ATOM 745 OD1 ASN A 50 3.005 10.570 1.145 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.117 10.206 0.473 1.00 0.00 N ATOM 0 H ASN A 50 2.461 7.421 -0.398 1.00 0.00 H new ATOM 0 HA ASN A 50 1.234 10.095 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.972 9.026 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.406 10.657 -1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.500 10.477 1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.742 9.917 -0.279 1.00 0.00 H new ATOM 753 N LYS A 51 0.871 10.003 -3.186 1.00 0.00 N ATOM 754 CA LYS A 51 0.396 9.836 -4.555 1.00 0.00 C ATOM 755 C LYS A 51 1.536 9.423 -5.480 1.00 0.00 C ATOM 756 O LYS A 51 2.642 9.959 -5.397 1.00 0.00 O ATOM 757 CB LYS A 51 -0.238 11.135 -5.058 1.00 0.00 C ATOM 758 CG LYS A 51 -1.735 11.216 -4.812 1.00 0.00 C ATOM 759 CD LYS A 51 -2.524 10.645 -5.978 1.00 0.00 C ATOM 760 CE LYS A 51 -2.773 11.696 -7.049 1.00 0.00 C ATOM 761 NZ LYS A 51 -1.686 11.719 -8.068 1.00 0.00 N ATOM 0 H LYS A 51 0.742 10.941 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.355 9.046 -4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.248 11.980 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.048 11.232 -6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.985 10.672 -3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.022 12.255 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.980 9.805 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.477 10.257 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.726 11.496 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.854 12.678 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.103 11.786 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.071 12.541 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.125 10.846 -7.997 1.00 0.00 H new ATOM 775 N LEU A 52 1.260 8.469 -6.362 1.00 0.00 N ATOM 776 CA LEU A 52 2.262 7.986 -7.305 1.00 0.00 C ATOM 777 C LEU A 52 1.682 7.883 -8.712 1.00 0.00 C ATOM 778 O LEU A 52 0.541 8.278 -8.954 1.00 0.00 O ATOM 779 CB LEU A 52 2.794 6.622 -6.860 1.00 0.00 C ATOM 780 CG LEU A 52 3.360 6.553 -5.441 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.453 5.109 -4.973 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.725 7.224 -5.379 1.00 0.00 C ATOM 0 H LEU A 52 0.350 8.015 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 52 3.083 8.702 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.987 5.895 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.574 6.314 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 52 2.683 7.087 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.858 5.080 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.460 4.660 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.108 4.551 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.113 7.166 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.411 6.718 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.630 8.270 -5.672 1.00 0.00 H new ATOM 794 N SER A 53 2.475 7.350 -9.636 1.00 0.00 N ATOM 795 CA SER A 53 2.041 7.197 -11.020 1.00 0.00 C ATOM 796 C SER A 53 2.843 6.106 -11.724 1.00 0.00 C ATOM 797 O SER A 53 3.692 5.454 -11.115 1.00 0.00 O ATOM 798 CB SER A 53 2.188 8.521 -11.772 1.00 0.00 C ATOM 799 OG SER A 53 1.007 9.297 -11.676 1.00 0.00 O ATOM 0 H SER A 53 3.421 7.017 -9.451 1.00 0.00 H new ATOM 0 HA SER A 53 0.991 6.905 -11.015 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.029 9.082 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.413 8.324 -12.820 1.00 0.00 H new ATOM 0 HG SER A 53 0.591 9.153 -10.801 1.00 0.00 H new ATOM 805 N LEU A 54 2.567 5.914 -13.009 1.00 0.00 N ATOM 806 CA LEU A 54 3.262 4.903 -13.798 1.00 0.00 C ATOM 807 C LEU A 54 4.655 5.383 -14.192 1.00 0.00 C ATOM 808 O LEU A 54 5.087 5.199 -15.329 1.00 0.00 O ATOM 809 CB LEU A 54 2.454 4.561 -15.051 1.00 0.00 C ATOM 810 CG LEU A 54 1.030 4.058 -14.814 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.287 3.920 -16.134 1.00 0.00 C ATOM 812 CD2 LEU A 54 1.049 2.732 -14.069 1.00 0.00 C ATOM 0 H LEU A 54 1.867 6.445 -13.527 1.00 0.00 H new ATOM 0 HA LEU A 54 3.366 4.008 -13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.404 5.449 -15.681 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.997 3.802 -15.613 1.00 0.00 H new ATOM 0 HG LEU A 54 0.505 4.789 -14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.725 3.561 -15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.242 4.890 -16.629 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.811 3.210 -16.774 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.027 2.390 -13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.592 1.992 -14.657 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.542 2.863 -13.106 1.00 0.00 H new ATOM 824 N GLY A 55 5.355 5.997 -13.243 1.00 0.00 N ATOM 825 CA GLY A 55 6.693 6.491 -13.510 1.00 0.00 C ATOM 826 C GLY A 55 7.563 6.510 -12.269 1.00 0.00 C ATOM 827 O GLY A 55 8.780 6.343 -12.351 1.00 0.00 O ATOM 0 H GLY A 55 5.019 6.161 -12.294 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.163 5.866 -14.270 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.630 7.499 -13.921 1.00 0.00 H new ATOM 831 N THR A 56 6.938 6.716 -11.113 1.00 0.00 N ATOM 832 CA THR A 56 7.663 6.759 -9.850 1.00 0.00 C ATOM 833 C THR A 56 7.087 5.763 -8.850 1.00 0.00 C ATOM 834 O THR A 56 7.116 5.994 -7.641 1.00 0.00 O ATOM 835 CB THR A 56 7.628 8.169 -9.230 1.00 0.00 C ATOM 836 OG1 THR A 56 8.450 8.209 -8.058 1.00 0.00 O ATOM 837 CG2 THR A 56 6.205 8.567 -8.871 1.00 0.00 C ATOM 0 H THR A 56 5.931 6.856 -11.026 1.00 0.00 H new ATOM 0 HA THR A 56 8.696 6.492 -10.070 1.00 0.00 H new ATOM 0 HB THR A 56 8.011 8.875 -9.966 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.270 7.420 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.206 9.566 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.589 8.564 -9.770 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.799 7.857 -8.150 1.00 0.00 H new ATOM 845 N TYR A 57 6.564 4.654 -9.362 1.00 0.00 N ATOM 846 CA TYR A 57 5.979 3.623 -8.514 1.00 0.00 C ATOM 847 C TYR A 57 6.822 2.352 -8.542 1.00 0.00 C ATOM 848 O TYR A 57 7.669 2.174 -9.416 1.00 0.00 O ATOM 849 CB TYR A 57 4.551 3.310 -8.967 1.00 0.00 C ATOM 850 CG TYR A 57 4.477 2.271 -10.063 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.647 2.625 -11.395 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.238 0.935 -9.765 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.579 1.679 -12.400 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.170 -0.018 -10.763 1.00 0.00 C ATOM 855 CZ TYR A 57 4.340 0.359 -12.078 1.00 0.00 C ATOM 856 OH TYR A 57 4.273 -0.587 -13.076 1.00 0.00 O ATOM 0 H TYR A 57 6.533 4.447 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 57 5.955 4.000 -7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.975 2.963 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.080 4.229 -9.317 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.836 3.657 -11.650 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.103 0.637 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.712 1.971 -13.431 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.985 -1.053 -10.514 1.00 0.00 H new ATOM 0 HH TYR A 57 4.100 -1.467 -12.681 1.00 0.00 H new ATOM 866 N ALA A 58 6.583 1.470 -7.576 1.00 0.00 N ATOM 867 CA ALA A 58 7.318 0.214 -7.490 1.00 0.00 C ATOM 868 C ALA A 58 6.655 -0.743 -6.505 1.00 0.00 C ATOM 869 O ALA A 58 6.500 -0.425 -5.325 1.00 0.00 O ATOM 870 CB ALA A 58 8.762 0.474 -7.086 1.00 0.00 C ATOM 0 H ALA A 58 5.886 1.602 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 58 7.307 -0.254 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.299 -0.473 -7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.238 1.114 -7.829 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.785 0.967 -6.114 1.00 0.00 H new ATOM 876 N SER A 59 6.266 -1.915 -6.996 1.00 0.00 N ATOM 877 CA SER A 59 5.615 -2.917 -6.159 1.00 0.00 C ATOM 878 C SER A 59 6.493 -4.156 -6.013 1.00 0.00 C ATOM 879 O SER A 59 7.353 -4.424 -6.853 1.00 0.00 O ATOM 880 CB SER A 59 4.260 -3.305 -6.753 1.00 0.00 C ATOM 881 OG SER A 59 3.784 -4.515 -6.189 1.00 0.00 O ATOM 0 H SER A 59 6.390 -2.195 -7.969 1.00 0.00 H new ATOM 0 HA SER A 59 5.460 -2.485 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.539 -2.508 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.351 -3.415 -7.834 1.00 0.00 H new ATOM 0 HG SER A 59 2.916 -4.741 -6.584 1.00 0.00 H new ATOM 887 N LEU A 60 6.271 -4.907 -4.941 1.00 0.00 N ATOM 888 CA LEU A 60 7.041 -6.119 -4.683 1.00 0.00 C ATOM 889 C LEU A 60 6.121 -7.326 -4.527 1.00 0.00 C ATOM 890 O LEU A 60 6.116 -8.229 -5.365 1.00 0.00 O ATOM 891 CB LEU A 60 7.893 -5.947 -3.424 1.00 0.00 C ATOM 892 CG LEU A 60 8.907 -7.056 -3.143 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.900 -7.174 -4.289 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.633 -6.796 -1.831 1.00 0.00 C ATOM 0 H LEU A 60 5.564 -4.699 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 60 7.696 -6.292 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.430 -5.002 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.226 -5.867 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 60 8.369 -8.000 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.614 -7.968 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.366 -7.408 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.432 -6.230 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.351 -7.596 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.159 -5.843 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.910 -6.763 -1.016 1.00 0.00 H new ATOM 906 N HIS A 61 5.342 -7.335 -3.450 1.00 0.00 N ATOM 907 CA HIS A 61 4.415 -8.430 -3.186 1.00 0.00 C ATOM 908 C HIS A 61 2.969 -7.953 -3.282 1.00 0.00 C ATOM 909 O HIS A 61 2.125 -8.332 -2.472 1.00 0.00 O ATOM 910 CB HIS A 61 4.677 -9.025 -1.802 1.00 0.00 C ATOM 911 CG HIS A 61 6.123 -9.315 -1.539 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.799 -8.832 -0.438 1.00 0.00 N ATOM 913 CD2 HIS A 61 7.021 -10.044 -2.240 1.00 0.00 C ATOM 914 CE1 HIS A 61 8.051 -9.251 -0.474 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.212 -9.989 -1.558 1.00 0.00 N ATOM 0 H HIS A 61 5.334 -6.597 -2.746 1.00 0.00 H new ATOM 0 HA HIS A 61 4.576 -9.200 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.309 -8.334 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.105 -9.947 -1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.836 -10.571 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.813 -9.028 0.258 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.080 -10.444 -1.842 1.00 0.00 H new ATOM 924 N GLY A 62 2.691 -7.117 -4.279 1.00 0.00 N ATOM 925 CA GLY A 62 1.347 -6.602 -4.462 1.00 0.00 C ATOM 926 C GLY A 62 1.182 -5.203 -3.903 1.00 0.00 C ATOM 927 O GLY A 62 0.390 -4.412 -4.415 1.00 0.00 O ATOM 0 H GLY A 62 3.373 -6.788 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.105 -6.596 -5.525 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.636 -7.270 -3.977 1.00 0.00 H new ATOM 931 N ARG A 63 1.930 -4.896 -2.848 1.00 0.00 N ATOM 932 CA ARG A 63 1.860 -3.584 -2.217 1.00 0.00 C ATOM 933 C ARG A 63 2.762 -2.586 -2.937 1.00 0.00 C ATOM 934 O ARG A 63 3.939 -2.859 -3.177 1.00 0.00 O ATOM 935 CB ARG A 63 2.263 -3.680 -0.744 1.00 0.00 C ATOM 936 CG ARG A 63 1.126 -4.106 0.171 1.00 0.00 C ATOM 937 CD ARG A 63 1.462 -3.850 1.632 1.00 0.00 C ATOM 938 NE ARG A 63 0.489 -4.462 2.533 1.00 0.00 N ATOM 939 CZ ARG A 63 0.524 -4.328 3.854 1.00 0.00 C ATOM 940 NH1 ARG A 63 1.479 -3.607 4.425 1.00 0.00 N ATOM 941 NH2 ARG A 63 -0.398 -4.916 4.606 1.00 0.00 N ATOM 0 H ARG A 63 2.592 -5.539 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 63 0.831 -3.232 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.083 -4.391 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.640 -2.712 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.220 -3.563 -0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.917 -5.166 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.455 -4.243 1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.498 -2.776 1.813 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.259 -5.023 2.125 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.189 -3.154 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.504 -3.506 5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.134 -5.471 4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.371 -4.813 5.620 1.00 0.00 H new ATOM 955 N ILE A 64 2.203 -1.430 -3.279 1.00 0.00 N ATOM 956 CA ILE A 64 2.956 -0.392 -3.971 1.00 0.00 C ATOM 957 C ILE A 64 3.917 0.315 -3.022 1.00 0.00 C ATOM 958 O ILE A 64 3.730 0.295 -1.805 1.00 0.00 O ATOM 959 CB ILE A 64 2.021 0.651 -4.610 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.816 -0.037 -5.253 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.776 1.480 -5.639 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.191 -1.018 -6.342 1.00 0.00 C ATOM 0 H ILE A 64 1.231 -1.189 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 64 3.525 -0.887 -4.758 1.00 0.00 H new ATOM 0 HB ILE A 64 1.659 1.319 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.252 -0.561 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.155 0.722 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.101 2.213 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.604 1.996 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.164 0.826 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.287 -1.468 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.728 -0.495 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.828 -1.798 -5.925 1.00 0.00 H new ATOM 974 N TYR A 65 4.943 0.942 -3.586 1.00 0.00 N ATOM 975 CA TYR A 65 5.934 1.656 -2.789 1.00 0.00 C ATOM 976 C TYR A 65 6.593 2.764 -3.605 1.00 0.00 C ATOM 977 O TYR A 65 6.680 2.681 -4.831 1.00 0.00 O ATOM 978 CB TYR A 65 6.998 0.687 -2.271 1.00 0.00 C ATOM 979 CG TYR A 65 6.534 -0.153 -1.103 1.00 0.00 C ATOM 980 CD1 TYR A 65 5.885 -1.365 -1.307 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.746 0.264 0.205 1.00 0.00 C ATOM 982 CE1 TYR A 65 5.460 -2.135 -0.243 1.00 0.00 C ATOM 983 CE2 TYR A 65 6.325 -0.501 1.276 1.00 0.00 C ATOM 984 CZ TYR A 65 5.682 -1.699 1.047 1.00 0.00 C ATOM 985 OH TYR A 65 5.260 -2.465 2.110 1.00 0.00 O ATOM 0 H TYR A 65 5.110 0.971 -4.592 1.00 0.00 H new ATOM 0 HA TYR A 65 5.422 2.110 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.303 0.028 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.880 1.254 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.710 -1.710 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.249 1.202 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.956 -3.074 -0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.499 -0.162 2.287 1.00 0.00 H new ATOM 0 HH TYR A 65 4.349 -2.205 2.359 1.00 0.00 H new ATOM 995 N CYS A 66 7.056 3.802 -2.916 1.00 0.00 N ATOM 996 CA CYS A 66 7.708 4.927 -3.574 1.00 0.00 C ATOM 997 C CYS A 66 9.198 4.657 -3.766 1.00 0.00 C ATOM 998 O CYS A 66 9.857 4.096 -2.890 1.00 0.00 O ATOM 999 CB CYS A 66 7.512 6.206 -2.758 1.00 0.00 C ATOM 1000 SG CYS A 66 8.267 6.154 -1.101 1.00 0.00 S ATOM 0 H CYS A 66 6.991 3.887 -1.902 1.00 0.00 H new ATOM 0 HA CYS A 66 7.251 5.056 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.933 7.045 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.444 6.397 -2.653 1.00 0.00 H new ATOM 1005 N LYS A 67 9.723 5.061 -4.918 1.00 0.00 N ATOM 1006 CA LYS A 67 11.135 4.864 -5.226 1.00 0.00 C ATOM 1007 C LYS A 67 11.984 4.947 -3.961 1.00 0.00 C ATOM 1008 O LYS A 67 12.763 4.047 -3.648 1.00 0.00 O ATOM 1009 CB LYS A 67 11.607 5.910 -6.239 1.00 0.00 C ATOM 1010 CG LYS A 67 11.669 5.390 -7.665 1.00 0.00 C ATOM 1011 CD LYS A 67 10.280 5.175 -8.242 1.00 0.00 C ATOM 1012 CE LYS A 67 10.328 4.348 -9.517 1.00 0.00 C ATOM 1013 NZ LYS A 67 10.733 2.940 -9.251 1.00 0.00 N ATOM 0 H LYS A 67 9.192 5.527 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 67 11.253 3.870 -5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.936 6.768 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.595 6.266 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.217 6.097 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.222 4.451 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.652 4.674 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.818 6.140 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.348 4.360 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.029 4.801 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.586 2.714 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.934 2.822 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.962 2.299 -9.528 1.00 0.00 H new ATOM 1027 N PRO A 68 11.831 6.051 -3.216 1.00 0.00 N ATOM 1028 CA PRO A 68 12.575 6.276 -1.972 1.00 0.00 C ATOM 1029 C PRO A 68 12.540 5.063 -1.049 1.00 0.00 C ATOM 1030 O PRO A 68 13.568 4.432 -0.798 1.00 0.00 O ATOM 1031 CB PRO A 68 11.843 7.458 -1.331 1.00 0.00 C ATOM 1032 CG PRO A 68 11.221 8.184 -2.473 1.00 0.00 C ATOM 1033 CD PRO A 68 10.921 7.165 -3.529 1.00 0.00 C ATOM 0 HA PRO A 68 13.633 6.462 -2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.089 7.118 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.532 8.100 -0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.310 8.691 -2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.895 8.950 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.878 6.850 -3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.103 7.560 -4.528 1.00 0.00 H new ATOM 1041 N HIS A 69 11.353 4.741 -0.546 1.00 0.00 N ATOM 1042 CA HIS A 69 11.185 3.602 0.349 1.00 0.00 C ATOM 1043 C HIS A 69 11.604 2.306 -0.337 1.00 0.00 C ATOM 1044 O HIS A 69 12.257 1.454 0.268 1.00 0.00 O ATOM 1045 CB HIS A 69 9.732 3.501 0.813 1.00 0.00 C ATOM 1046 CG HIS A 69 9.418 4.368 1.993 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.192 4.972 2.178 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.177 4.729 3.053 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.212 5.670 3.300 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.406 5.538 3.851 1.00 0.00 N ATOM 0 H HIS A 69 10.493 5.253 -0.743 1.00 0.00 H new ATOM 0 HA HIS A 69 11.826 3.756 1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.076 3.774 -0.013 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.511 2.464 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.200 4.435 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.392 6.249 3.699 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.706 5.967 4.726 1.00 0.00 H new ATOM 1058 N PHE A 70 11.224 2.162 -1.602 1.00 0.00 N ATOM 1059 CA PHE A 70 11.559 0.968 -2.370 1.00 0.00 C ATOM 1060 C PHE A 70 13.063 0.711 -2.347 1.00 0.00 C ATOM 1061 O PHE A 70 13.530 -0.252 -1.740 1.00 0.00 O ATOM 1062 CB PHE A 70 11.078 1.114 -3.815 1.00 0.00 C ATOM 1063 CG PHE A 70 11.587 0.035 -4.728 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.830 0.149 -5.329 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.823 -1.091 -4.985 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.302 -0.842 -6.170 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.290 -2.085 -5.824 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.531 -1.960 -6.418 1.00 0.00 C ATOM 0 H PHE A 70 10.684 2.857 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 70 11.055 0.118 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.988 1.107 -3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.395 2.083 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.437 1.022 -5.139 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.851 -1.194 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.273 -0.741 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.685 -2.959 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.897 -2.735 -7.075 1.00 0.00 H new ATOM 1078 N ASN A 71 13.817 1.579 -3.013 1.00 0.00 N ATOM 1079 CA ASN A 71 15.268 1.446 -3.071 1.00 0.00 C ATOM 1080 C ASN A 71 15.853 1.260 -1.674 1.00 0.00 C ATOM 1081 O ASN A 71 16.973 0.774 -1.520 1.00 0.00 O ATOM 1082 CB ASN A 71 15.888 2.677 -3.736 1.00 0.00 C ATOM 1083 CG ASN A 71 17.302 2.941 -3.258 1.00 0.00 C ATOM 1084 OD1 ASN A 71 18.215 2.158 -3.520 1.00 0.00 O ATOM 1085 ND2 ASN A 71 17.490 4.050 -2.552 1.00 0.00 N ATOM 0 H ASN A 71 13.447 2.383 -3.521 1.00 0.00 H new ATOM 0 HA ASN A 71 15.504 0.563 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.893 2.539 -4.817 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.268 3.549 -3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.420 4.281 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.704 4.671 -2.358 1.00 0.00 H new ATOM 1092 N GLN A 72 15.086 1.650 -0.661 1.00 0.00 N ATOM 1093 CA GLN A 72 15.529 1.526 0.723 1.00 0.00 C ATOM 1094 C GLN A 72 15.280 0.117 1.250 1.00 0.00 C ATOM 1095 O GLN A 72 16.219 -0.652 1.464 1.00 0.00 O ATOM 1096 CB GLN A 72 14.808 2.547 1.605 1.00 0.00 C ATOM 1097 CG GLN A 72 15.098 2.383 3.088 1.00 0.00 C ATOM 1098 CD GLN A 72 14.606 3.557 3.912 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.222 4.623 3.926 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.489 3.366 4.605 1.00 0.00 N ATOM 0 H GLN A 72 14.156 2.054 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 72 16.601 1.722 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.098 3.551 1.296 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.734 2.461 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.626 1.468 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.172 2.266 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.011 2.466 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.109 4.119 5.178 1.00 0.00 H new ATOM 1109 N LEU A 73 14.012 -0.217 1.458 1.00 0.00 N ATOM 1110 CA LEU A 73 13.639 -1.535 1.960 1.00 0.00 C ATOM 1111 C LEU A 73 14.091 -2.631 1.001 1.00 0.00 C ATOM 1112 O LEU A 73 14.454 -3.729 1.423 1.00 0.00 O ATOM 1113 CB LEU A 73 12.126 -1.614 2.168 1.00 0.00 C ATOM 1114 CG LEU A 73 11.491 -0.451 2.931 1.00 0.00 C ATOM 1115 CD1 LEU A 73 10.000 -0.373 2.640 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.738 -0.596 4.425 1.00 0.00 C ATOM 0 H LEU A 73 13.224 0.407 1.287 1.00 0.00 H new ATOM 0 HA LEU A 73 14.139 -1.687 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.648 -1.685 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.901 -2.538 2.701 1.00 0.00 H new ATOM 0 HG LEU A 73 11.955 0.476 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.565 0.460 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.845 -0.222 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.520 -1.302 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.279 0.240 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.301 -1.531 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.811 -0.602 4.618 1.00 0.00 H new ATOM 1128 N PHE A 74 14.067 -2.325 -0.292 1.00 0.00 N ATOM 1129 CA PHE A 74 14.475 -3.284 -1.312 1.00 0.00 C ATOM 1130 C PHE A 74 15.996 -3.379 -1.392 1.00 0.00 C ATOM 1131 O PHE A 74 16.581 -4.422 -1.098 1.00 0.00 O ATOM 1132 CB PHE A 74 13.906 -2.883 -2.675 1.00 0.00 C ATOM 1133 CG PHE A 74 12.408 -2.966 -2.747 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.619 -2.306 -1.819 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.789 -3.704 -3.743 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.241 -2.380 -1.882 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.411 -3.781 -3.812 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.636 -3.119 -2.880 1.00 0.00 C ATOM 0 H PHE A 74 13.769 -1.421 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 74 14.081 -4.262 -1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.217 -1.864 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.335 -3.527 -3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.087 -1.727 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.390 -4.225 -4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.638 -1.861 -1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.940 -4.358 -4.594 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.559 -3.179 -2.931 1.00 0.00 H new ATOM 1148 N LYS A 75 16.632 -2.283 -1.792 1.00 0.00 N ATOM 1149 CA LYS A 75 18.084 -2.240 -1.910 1.00 0.00 C ATOM 1150 C LYS A 75 18.736 -2.063 -0.542 1.00 0.00 C ATOM 1151 O LYS A 75 18.056 -1.811 0.452 1.00 0.00 O ATOM 1152 CB LYS A 75 18.507 -1.101 -2.840 1.00 0.00 C ATOM 1153 CG LYS A 75 19.685 -1.452 -3.734 1.00 0.00 C ATOM 1154 CD LYS A 75 19.259 -2.333 -4.897 1.00 0.00 C ATOM 1155 CE LYS A 75 18.616 -1.517 -6.008 1.00 0.00 C ATOM 1156 NZ LYS A 75 17.969 -2.385 -7.030 1.00 0.00 N ATOM 0 H LYS A 75 16.163 -1.412 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 75 18.418 -3.188 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.659 -0.819 -3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.765 -0.229 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.138 -0.537 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.448 -1.965 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.126 -2.864 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.556 -3.088 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.873 -0.844 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.373 -0.895 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.543 -1.791 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.682 -3.010 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.229 -2.960 -6.579 1.00 0.00 H new ATOM 1170 N SER A 76 20.058 -2.194 -0.501 1.00 0.00 N ATOM 1171 CA SER A 76 20.802 -2.051 0.745 1.00 0.00 C ATOM 1172 C SER A 76 22.262 -1.706 0.470 1.00 0.00 C ATOM 1173 O SER A 76 23.030 -2.541 -0.008 1.00 0.00 O ATOM 1174 CB SER A 76 20.716 -3.339 1.567 1.00 0.00 C ATOM 1175 OG SER A 76 21.299 -3.167 2.847 1.00 0.00 O ATOM 0 H SER A 76 20.636 -2.399 -1.316 1.00 0.00 H new ATOM 0 HA SER A 76 20.355 -1.236 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.673 -3.636 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.223 -4.146 1.038 1.00 0.00 H new ATOM 0 HG SER A 76 21.230 -4.003 3.353 1.00 0.00 H new ATOM 1181 N LYS A 77 22.639 -0.469 0.775 1.00 0.00 N ATOM 1182 CA LYS A 77 24.007 -0.011 0.563 1.00 0.00 C ATOM 1183 C LYS A 77 25.005 -1.130 0.845 1.00 0.00 C ATOM 1184 O LYS A 77 25.810 -1.488 -0.013 1.00 0.00 O ATOM 1185 CB LYS A 77 24.308 1.194 1.457 1.00 0.00 C ATOM 1186 CG LYS A 77 24.054 2.530 0.783 1.00 0.00 C ATOM 1187 CD LYS A 77 25.219 2.941 -0.101 1.00 0.00 C ATOM 1188 CE LYS A 77 26.168 3.880 0.628 1.00 0.00 C ATOM 1189 NZ LYS A 77 27.205 3.136 1.395 1.00 0.00 N ATOM 0 H LYS A 77 22.016 0.235 1.170 1.00 0.00 H new ATOM 0 HA LYS A 77 24.107 0.286 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.697 1.129 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 77 25.350 1.149 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 77 23.146 2.469 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 77 23.885 3.294 1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 77 25.762 2.053 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.841 3.429 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.652 4.538 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 77 25.600 4.515 1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.963 3.790 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 26.775 2.716 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 27.603 2.382 0.799 1.00 0.00 H new ATOM 1203 N GLY A 78 24.946 -1.679 2.055 1.00 0.00 N ATOM 1204 CA GLY A 78 25.849 -2.751 2.428 1.00 0.00 C ATOM 1205 C GLY A 78 25.278 -4.122 2.122 1.00 0.00 C ATOM 1206 O GLY A 78 24.257 -4.240 1.447 1.00 0.00 O ATOM 0 H GLY A 78 24.289 -1.400 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 78 26.793 -2.627 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 78 26.070 -2.682 3.493 1.00 0.00 H new ATOM 1210 N ASN A 79 25.941 -5.161 2.620 1.00 0.00 N ATOM 1211 CA ASN A 79 25.495 -6.531 2.394 1.00 0.00 C ATOM 1212 C ASN A 79 25.476 -6.859 0.904 1.00 0.00 C ATOM 1213 O ASN A 79 24.554 -7.511 0.413 1.00 0.00 O ATOM 1214 CB ASN A 79 24.101 -6.741 2.992 1.00 0.00 C ATOM 1215 CG ASN A 79 24.153 -7.122 4.458 1.00 0.00 C ATOM 1216 OD1 ASN A 79 25.101 -6.783 5.167 1.00 0.00 O ATOM 1217 ND2 ASN A 79 23.130 -7.832 4.921 1.00 0.00 N ATOM 0 H ASN A 79 26.788 -5.080 3.182 1.00 0.00 H new ATOM 0 HA ASN A 79 26.199 -7.202 2.886 1.00 0.00 H new ATOM 0 HB2 ASN A 79 23.518 -5.827 2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 79 23.583 -7.522 2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 79 23.109 -8.118 5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 79 22.365 -8.091 4.298 1.00 0.00 H new ATOM 1224 N TYR A 80 26.500 -6.404 0.191 1.00 0.00 N ATOM 1225 CA TYR A 80 26.601 -6.647 -1.243 1.00 0.00 C ATOM 1226 C TYR A 80 26.149 -8.062 -1.589 1.00 0.00 C ATOM 1227 O TYR A 80 26.342 -8.995 -0.809 1.00 0.00 O ATOM 1228 CB TYR A 80 28.038 -6.427 -1.719 1.00 0.00 C ATOM 1229 CG TYR A 80 28.544 -5.021 -1.487 1.00 0.00 C ATOM 1230 CD1 TYR A 80 28.251 -4.000 -2.384 1.00 0.00 C ATOM 1231 CD2 TYR A 80 29.316 -4.714 -0.374 1.00 0.00 C ATOM 1232 CE1 TYR A 80 28.712 -2.714 -2.177 1.00 0.00 C ATOM 1233 CE2 TYR A 80 29.779 -3.430 -0.159 1.00 0.00 C ATOM 1234 CZ TYR A 80 29.475 -2.434 -1.063 1.00 0.00 C ATOM 1235 OH TYR A 80 29.936 -1.155 -0.853 1.00 0.00 O ATOM 0 H TYR A 80 27.272 -5.865 0.583 1.00 0.00 H new ATOM 0 HA TYR A 80 25.945 -5.941 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 80 28.694 -7.130 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 80 28.098 -6.655 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 80 27.653 -4.216 -3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 80 29.558 -5.492 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 80 28.476 -1.932 -2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 80 30.376 -3.207 0.713 1.00 0.00 H new ATOM 0 HH TYR A 80 30.456 -1.127 -0.023 1.00 0.00 H new ATOM 1245 N ASP A 81 25.548 -8.214 -2.764 1.00 0.00 N ATOM 1246 CA ASP A 81 25.070 -9.515 -3.216 1.00 0.00 C ATOM 1247 C ASP A 81 25.526 -9.795 -4.644 1.00 0.00 C ATOM 1248 O ASP A 81 26.085 -8.924 -5.309 1.00 0.00 O ATOM 1249 CB ASP A 81 23.545 -9.580 -3.131 1.00 0.00 C ATOM 1250 CG ASP A 81 23.012 -10.985 -3.332 1.00 0.00 C ATOM 1251 OD1 ASP A 81 23.411 -11.885 -2.565 1.00 0.00 O ATOM 1252 OD2 ASP A 81 22.197 -11.184 -4.258 1.00 0.00 O ATOM 0 H ASP A 81 25.380 -7.452 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 81 25.494 -10.278 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 23.222 -9.208 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 81 23.114 -8.920 -3.884 1.00 0.00 H new ATOM 1257 N GLU A 82 25.282 -11.017 -5.109 1.00 0.00 N ATOM 1258 CA GLU A 82 25.670 -11.411 -6.459 1.00 0.00 C ATOM 1259 C GLU A 82 24.644 -10.930 -7.481 1.00 0.00 C ATOM 1260 O GLU A 82 24.272 -11.664 -8.396 1.00 0.00 O ATOM 1261 CB GLU A 82 25.819 -12.931 -6.546 1.00 0.00 C ATOM 1262 CG GLU A 82 24.536 -13.688 -6.247 1.00 0.00 C ATOM 1263 CD GLU A 82 24.631 -15.160 -6.599 1.00 0.00 C ATOM 1264 OE1 GLU A 82 24.883 -15.473 -7.781 1.00 0.00 O ATOM 1265 OE2 GLU A 82 24.453 -15.999 -5.691 1.00 0.00 O ATOM 0 H GLU A 82 24.818 -11.750 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 82 26.629 -10.945 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 82 26.163 -13.197 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.591 -13.252 -5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 82 24.297 -13.586 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.715 -13.237 -6.804 1.00 0.00 H new ATOM 1272 N GLY A 83 24.190 -9.691 -7.318 1.00 0.00 N ATOM 1273 CA GLY A 83 23.212 -9.133 -8.233 1.00 0.00 C ATOM 1274 C GLY A 83 23.339 -7.629 -8.371 1.00 0.00 C ATOM 1275 O GLY A 83 22.508 -6.879 -7.859 1.00 0.00 O ATOM 0 H GLY A 83 24.482 -9.064 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.330 -9.596 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.210 -9.379 -7.883 1.00 0.00 H new ATOM 1279 N PHE A 84 24.383 -7.186 -9.064 1.00 0.00 N ATOM 1280 CA PHE A 84 24.618 -5.761 -9.265 1.00 0.00 C ATOM 1281 C PHE A 84 24.993 -5.471 -10.716 1.00 0.00 C ATOM 1282 O PHE A 84 25.807 -6.176 -11.311 1.00 0.00 O ATOM 1283 CB PHE A 84 25.726 -5.268 -8.332 1.00 0.00 C ATOM 1284 CG PHE A 84 26.170 -3.862 -8.619 1.00 0.00 C ATOM 1285 CD1 PHE A 84 25.514 -2.784 -8.046 1.00 0.00 C ATOM 1286 CD2 PHE A 84 27.242 -3.618 -9.461 1.00 0.00 C ATOM 1287 CE1 PHE A 84 25.920 -1.489 -8.308 1.00 0.00 C ATOM 1288 CE2 PHE A 84 27.653 -2.326 -9.726 1.00 0.00 C ATOM 1289 CZ PHE A 84 26.991 -1.260 -9.150 1.00 0.00 C ATOM 0 H PHE A 84 25.080 -7.793 -9.496 1.00 0.00 H new ATOM 0 HA PHE A 84 23.695 -5.230 -9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 84 25.375 -5.327 -7.302 1.00 0.00 H new ATOM 0 HB3 PHE A 84 26.584 -5.935 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 84 24.676 -2.958 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 84 27.763 -4.448 -9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 84 25.401 -0.657 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 84 28.492 -2.150 -10.383 1.00 0.00 H new ATOM 0 HZ PHE A 84 27.310 -0.249 -9.357 1.00 0.00 H new ATOM 1299 N GLY A 85 24.392 -4.428 -11.280 1.00 0.00 N ATOM 1300 CA GLY A 85 24.674 -4.063 -12.655 1.00 0.00 C ATOM 1301 C GLY A 85 23.783 -2.942 -13.153 1.00 0.00 C ATOM 1302 O GLY A 85 22.576 -2.945 -12.910 1.00 0.00 O ATOM 0 H GLY A 85 23.714 -3.829 -10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.717 -3.759 -12.740 1.00 0.00 H new ATOM 0 HA3 GLY A 85 24.544 -4.937 -13.293 1.00 0.00 H new ATOM 1306 N SER A 86 24.379 -1.980 -13.850 1.00 0.00 N ATOM 1307 CA SER A 86 23.631 -0.845 -14.378 1.00 0.00 C ATOM 1308 C SER A 86 23.943 -0.629 -15.856 1.00 0.00 C ATOM 1309 O SER A 86 24.971 -0.052 -16.208 1.00 0.00 O ATOM 1310 CB SER A 86 23.960 0.422 -13.586 1.00 0.00 C ATOM 1311 OG SER A 86 23.098 0.564 -12.471 1.00 0.00 O ATOM 0 H SER A 86 25.377 -1.964 -14.062 1.00 0.00 H new ATOM 0 HA SER A 86 22.568 -1.063 -14.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 24.995 0.384 -13.247 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.868 1.294 -14.234 1.00 0.00 H new ATOM 0 HG SER A 86 23.330 1.380 -11.980 1.00 0.00 H new ATOM 1317 N GLY A 87 23.046 -1.099 -16.718 1.00 0.00 N ATOM 1318 CA GLY A 87 23.242 -0.949 -18.149 1.00 0.00 C ATOM 1319 C GLY A 87 23.713 0.441 -18.526 1.00 0.00 C ATOM 1320 O GLY A 87 23.055 1.442 -18.238 1.00 0.00 O ATOM 0 H GLY A 87 22.187 -1.581 -16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 87 23.972 -1.682 -18.492 1.00 0.00 H new ATOM 0 HA3 GLY A 87 22.307 -1.165 -18.666 1.00 0.00 H new ATOM 1324 N PRO A 88 24.878 0.517 -19.186 1.00 0.00 N ATOM 1325 CA PRO A 88 25.462 1.791 -19.617 1.00 0.00 C ATOM 1326 C PRO A 88 24.669 2.440 -20.746 1.00 0.00 C ATOM 1327 O PRO A 88 24.643 1.937 -21.869 1.00 0.00 O ATOM 1328 CB PRO A 88 26.858 1.394 -20.104 1.00 0.00 C ATOM 1329 CG PRO A 88 26.729 -0.037 -20.499 1.00 0.00 C ATOM 1330 CD PRO A 88 25.715 -0.634 -19.563 1.00 0.00 C ATOM 0 HA PRO A 88 25.469 2.528 -18.814 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.174 2.010 -20.946 1.00 0.00 H new ATOM 0 HB3 PRO A 88 27.603 1.522 -19.318 1.00 0.00 H new ATOM 0 HG2 PRO A 88 26.405 -0.128 -21.536 1.00 0.00 H new ATOM 0 HG3 PRO A 88 27.686 -0.552 -20.418 1.00 0.00 H new ATOM 0 HD2 PRO A 88 25.130 -1.414 -20.050 1.00 0.00 H new ATOM 0 HD3 PRO A 88 26.190 -1.088 -18.693 1.00 0.00 H new ATOM 1338 N SER A 89 24.022 3.561 -20.440 1.00 0.00 N ATOM 1339 CA SER A 89 23.225 4.277 -21.429 1.00 0.00 C ATOM 1340 C SER A 89 24.119 4.935 -22.475 1.00 0.00 C ATOM 1341 O SER A 89 25.329 5.060 -22.283 1.00 0.00 O ATOM 1342 CB SER A 89 22.357 5.336 -20.745 1.00 0.00 C ATOM 1343 OG SER A 89 23.144 6.198 -19.941 1.00 0.00 O ATOM 0 H SER A 89 24.034 3.992 -19.516 1.00 0.00 H new ATOM 0 HA SER A 89 22.580 3.556 -21.930 1.00 0.00 H new ATOM 0 HB2 SER A 89 21.827 5.919 -21.499 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.601 4.849 -20.129 1.00 0.00 H new ATOM 0 HG SER A 89 22.567 6.867 -19.516 1.00 0.00 H new ATOM 1349 N SER A 90 23.515 5.354 -23.582 1.00 0.00 N ATOM 1350 CA SER A 90 24.256 5.995 -24.662 1.00 0.00 C ATOM 1351 C SER A 90 23.346 6.910 -25.477 1.00 0.00 C ATOM 1352 O SER A 90 22.125 6.874 -25.336 1.00 0.00 O ATOM 1353 CB SER A 90 24.886 4.940 -25.573 1.00 0.00 C ATOM 1354 OG SER A 90 25.694 4.042 -24.831 1.00 0.00 O ATOM 0 H SER A 90 22.514 5.261 -23.755 1.00 0.00 H new ATOM 0 HA SER A 90 25.047 6.600 -24.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 24.102 4.387 -26.090 1.00 0.00 H new ATOM 0 HB3 SER A 90 25.489 5.429 -26.338 1.00 0.00 H new ATOM 0 HG SER A 90 26.084 3.377 -25.436 1.00 0.00 H new ATOM 1360 N GLY A 91 23.953 7.730 -26.330 1.00 0.00 N ATOM 1361 CA GLY A 91 23.183 8.643 -27.155 1.00 0.00 C ATOM 1362 C GLY A 91 23.011 8.137 -28.573 1.00 0.00 C ATOM 1363 O GLY A 91 22.532 7.019 -28.756 1.00 0.00 O ATOM 0 H GLY A 91 24.963 7.778 -26.464 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.202 8.795 -26.705 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.678 9.614 -27.176 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.584 2.724 -5.336 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.914 5.507 0.655 1.00 0.00 ZN