USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 799 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 10 SER OG : rot -132:sc= 0.757 USER MOD Set 1.2: A 12 ASN : amide:sc= -1.79 K(o=-1,f=-0.19) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 170:sc= 1.54 (180deg=0.485) USER MOD Set 2.2: A 114 SER OG : rot -140:sc= 0.727 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -55:sc= 0.499 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= 0.741 (180deg=0.42) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.067) USER MOD Single : A 21 GLN : amide:sc= -0.036 X(o=-0.036,f=-0.027) USER MOD Single : A 25 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.566 K(o=0.57,f=-0.39) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.732) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.22 K(o=1.8,f=-5.6!) USER MOD Single : A 60 THR OG1 : rot -150:sc= 1.1 USER MOD Single : A 61 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.23) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -31:sc= 0.0738 USER MOD Single : A 74 ASN : amide:sc=-0.00746 X(o=-0.0075,f=-0.0075) USER MOD Single : A 77 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.013) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= -0.0116 (180deg=-0.0325) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.164 K(o=0.16,f=-1.8) USER MOD Single : A 83 THR OG1 : rot -62:sc= 1.32 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 81:sc= 0.14 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00701) USER MOD Single : A 97 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00414) USER MOD Single : A 102 SER OG : rot 108:sc= 1.28 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 107 THR OG1 : rot 67:sc= 0.608 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00756 X(o=-0.0076,f=-0.43) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.760 -7.238 15.702 1.00 0.00 N ATOM 28 CA PRO A 2 16.366 -8.448 14.965 1.00 0.00 C ATOM 29 C PRO A 2 17.264 -8.732 13.748 1.00 0.00 C ATOM 30 O PRO A 2 17.783 -9.841 13.602 1.00 0.00 O ATOM 31 CB PRO A 2 14.904 -8.229 14.561 1.00 0.00 C ATOM 32 CG PRO A 2 14.751 -6.710 14.510 1.00 0.00 C ATOM 33 CD PRO A 2 15.723 -6.209 15.581 1.00 0.00 C ATOM 0 HA PRO A 2 16.482 -9.332 15.591 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.686 -8.684 13.595 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.220 -8.674 15.284 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.002 -6.315 13.526 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.727 -6.404 14.724 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.157 -5.250 15.296 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.211 -6.058 16.531 1.00 0.00 H new ATOM 41 N CYS A 3 17.437 -7.736 12.873 1.00 0.00 N ATOM 42 CA CYS A 3 18.187 -7.804 11.610 1.00 0.00 C ATOM 43 C CYS A 3 18.932 -6.477 11.355 1.00 0.00 C ATOM 44 O CYS A 3 18.821 -5.535 12.146 1.00 0.00 O ATOM 45 CB CYS A 3 17.247 -8.179 10.437 1.00 0.00 C ATOM 46 SG CYS A 3 15.685 -8.999 10.889 1.00 0.00 S ATOM 0 H CYS A 3 17.038 -6.811 13.033 1.00 0.00 H new ATOM 0 HA CYS A 3 18.938 -8.591 11.685 1.00 0.00 H new ATOM 0 HB2 CYS A 3 17.009 -7.270 9.884 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.793 -8.832 9.756 1.00 0.00 H new ATOM 51 N LYS A 4 19.695 -6.389 10.258 1.00 0.00 N ATOM 52 CA LYS A 4 20.487 -5.206 9.882 1.00 0.00 C ATOM 53 C LYS A 4 19.819 -4.468 8.720 1.00 0.00 C ATOM 54 O LYS A 4 19.541 -5.072 7.682 1.00 0.00 O ATOM 55 CB LYS A 4 21.915 -5.631 9.504 1.00 0.00 C ATOM 56 CG LYS A 4 22.660 -6.475 10.559 1.00 0.00 C ATOM 57 CD LYS A 4 22.861 -5.803 11.927 1.00 0.00 C ATOM 58 CE LYS A 4 23.802 -4.594 11.840 1.00 0.00 C ATOM 59 NZ LYS A 4 24.079 -4.021 13.184 1.00 0.00 N ATOM 0 H LYS A 4 19.782 -7.155 9.590 1.00 0.00 H new ATOM 0 HA LYS A 4 20.539 -4.528 10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.872 -6.199 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.501 -4.734 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.111 -7.405 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.638 -6.743 10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.896 -5.484 12.320 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.267 -6.529 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.739 -4.894 11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.357 -3.830 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.718 -3.206 13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.187 -3.713 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.526 -4.743 13.784 1.00 0.00 H new ATOM 73 N TYR A 5 19.585 -3.167 8.887 1.00 0.00 N ATOM 74 CA TYR A 5 18.932 -2.298 7.900 1.00 0.00 C ATOM 75 C TYR A 5 19.698 -0.975 7.711 1.00 0.00 C ATOM 76 O TYR A 5 20.415 -0.529 8.613 1.00 0.00 O ATOM 77 CB TYR A 5 17.480 -2.014 8.323 1.00 0.00 C ATOM 78 CG TYR A 5 16.605 -3.224 8.619 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.574 -3.760 9.922 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.778 -3.779 7.620 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.692 -4.810 10.242 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.886 -4.820 7.940 1.00 0.00 C ATOM 83 CZ TYR A 5 14.841 -5.339 9.250 1.00 0.00 C ATOM 84 OH TYR A 5 13.992 -6.359 9.544 1.00 0.00 O ATOM 0 H TYR A 5 19.851 -2.671 9.737 1.00 0.00 H new ATOM 0 HA TYR A 5 18.934 -2.822 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.502 -1.384 9.212 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.003 -1.434 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.232 -3.362 10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.829 -3.405 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.667 -5.209 11.245 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.234 -5.223 7.179 1.00 0.00 H new ATOM 0 HH TYR A 5 14.498 -7.106 9.928 1.00 0.00 H new ATOM 94 N LYS A 6 19.527 -0.334 6.548 1.00 0.00 N ATOM 95 CA LYS A 6 20.104 0.975 6.190 1.00 0.00 C ATOM 96 C LYS A 6 19.087 2.119 6.331 1.00 0.00 C ATOM 97 O LYS A 6 17.874 1.911 6.234 1.00 0.00 O ATOM 98 CB LYS A 6 20.743 0.902 4.787 1.00 0.00 C ATOM 99 CG LYS A 6 19.751 0.631 3.635 1.00 0.00 C ATOM 100 CD LYS A 6 20.043 -0.653 2.839 1.00 0.00 C ATOM 101 CE LYS A 6 21.324 -0.559 2.001 1.00 0.00 C ATOM 102 NZ LYS A 6 21.424 -1.699 1.049 1.00 0.00 N ATOM 0 H LYS A 6 18.960 -0.727 5.797 1.00 0.00 H new ATOM 0 HA LYS A 6 20.895 1.211 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 6 21.259 1.841 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.499 0.117 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.743 0.569 4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.765 1.480 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.128 -1.491 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.200 -0.866 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.334 0.381 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.193 -0.552 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.299 -1.612 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.438 -2.594 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.605 -1.689 0.408 1.00 0.00 H new ATOM 116 N LEU A 7 19.595 3.329 6.568 1.00 0.00 N ATOM 117 CA LEU A 7 18.822 4.534 6.894 1.00 0.00 C ATOM 118 C LEU A 7 18.263 5.214 5.630 1.00 0.00 C ATOM 119 O LEU A 7 19.016 5.756 4.817 1.00 0.00 O ATOM 120 CB LEU A 7 19.713 5.481 7.738 1.00 0.00 C ATOM 121 CG LEU A 7 18.997 6.299 8.832 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.795 7.089 8.317 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.540 5.413 9.993 1.00 0.00 C ATOM 0 H LEU A 7 20.599 3.506 6.537 1.00 0.00 H new ATOM 0 HA LEU A 7 17.948 4.260 7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.493 4.885 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.210 6.176 7.061 1.00 0.00 H new ATOM 0 HG LEU A 7 19.745 7.012 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.341 7.640 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.122 7.790 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.063 6.402 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.040 6.026 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.848 4.656 9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.406 4.925 10.441 1.00 0.00 H new ATOM 135 N LYS A 8 16.932 5.192 5.475 1.00 0.00 N ATOM 136 CA LYS A 8 16.179 5.877 4.420 1.00 0.00 C ATOM 137 C LYS A 8 14.987 6.644 5.007 1.00 0.00 C ATOM 138 O LYS A 8 14.104 6.056 5.630 1.00 0.00 O ATOM 139 CB LYS A 8 15.758 4.836 3.362 1.00 0.00 C ATOM 140 CG LYS A 8 15.054 5.443 2.133 1.00 0.00 C ATOM 141 CD LYS A 8 15.949 6.367 1.290 1.00 0.00 C ATOM 142 CE LYS A 8 17.079 5.644 0.538 1.00 0.00 C ATOM 143 NZ LYS A 8 16.574 4.823 -0.596 1.00 0.00 N ATOM 0 H LYS A 8 16.326 4.673 6.110 1.00 0.00 H new ATOM 0 HA LYS A 8 16.804 6.626 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.642 4.292 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.093 4.109 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.688 4.634 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.182 6.005 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.327 6.894 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.388 7.122 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.790 6.380 0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.622 5.003 1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.374 4.357 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.916 4.102 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.079 5.436 -1.275 1.00 0.00 H new ATOM 157 N LYS A 9 14.965 7.964 4.819 1.00 0.00 N ATOM 158 CA LYS A 9 13.834 8.860 5.146 1.00 0.00 C ATOM 159 C LYS A 9 13.523 9.798 3.974 1.00 0.00 C ATOM 160 O LYS A 9 14.421 10.162 3.213 1.00 0.00 O ATOM 161 CB LYS A 9 14.133 9.668 6.431 1.00 0.00 C ATOM 162 CG LYS A 9 14.485 8.820 7.669 1.00 0.00 C ATOM 163 CD LYS A 9 13.312 7.979 8.197 1.00 0.00 C ATOM 164 CE LYS A 9 13.819 6.787 9.025 1.00 0.00 C ATOM 165 NZ LYS A 9 13.343 5.490 8.474 1.00 0.00 N ATOM 0 H LYS A 9 15.759 8.466 4.421 1.00 0.00 H new ATOM 0 HA LYS A 9 12.953 8.243 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.960 10.349 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.264 10.282 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.313 8.156 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.833 9.480 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.660 8.601 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.713 7.618 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.909 6.795 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.480 6.890 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.837 4.708 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.319 5.400 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.540 5.453 7.453 1.00 0.00 H new ATOM 179 N SER A 10 12.258 10.196 3.841 1.00 0.00 N ATOM 180 CA SER A 10 11.773 11.154 2.837 1.00 0.00 C ATOM 181 C SER A 10 10.561 11.946 3.347 1.00 0.00 C ATOM 182 O SER A 10 10.020 11.666 4.421 1.00 0.00 O ATOM 183 CB SER A 10 11.406 10.415 1.541 1.00 0.00 C ATOM 184 OG SER A 10 11.387 11.338 0.466 1.00 0.00 O ATOM 0 H SER A 10 11.514 9.851 4.448 1.00 0.00 H new ATOM 0 HA SER A 10 12.577 11.863 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.128 9.623 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.431 9.939 1.644 1.00 0.00 H new ATOM 0 HG SER A 10 10.564 11.220 -0.052 1.00 0.00 H new ATOM 190 N THR A 11 10.093 12.921 2.566 1.00 0.00 N ATOM 191 CA THR A 11 8.849 13.651 2.833 1.00 0.00 C ATOM 192 C THR A 11 8.088 13.929 1.537 1.00 0.00 C ATOM 193 O THR A 11 8.489 14.783 0.746 1.00 0.00 O ATOM 194 CB THR A 11 9.083 14.953 3.613 1.00 0.00 C ATOM 195 OG1 THR A 11 9.998 14.794 4.681 1.00 0.00 O ATOM 196 CG2 THR A 11 7.751 15.384 4.217 1.00 0.00 C ATOM 0 H THR A 11 10.571 13.231 1.720 1.00 0.00 H new ATOM 0 HA THR A 11 8.240 13.006 3.466 1.00 0.00 H new ATOM 0 HB THR A 11 9.493 15.686 2.918 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.113 15.650 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.888 16.308 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.026 15.547 3.420 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.386 14.605 4.886 1.00 0.00 H new ATOM 204 N ASN A 12 7.015 13.171 1.288 1.00 0.00 N ATOM 205 CA ASN A 12 6.256 13.173 0.028 1.00 0.00 C ATOM 206 C ASN A 12 4.889 12.470 0.146 1.00 0.00 C ATOM 207 O ASN A 12 4.586 11.845 1.159 1.00 0.00 O ATOM 208 CB ASN A 12 7.119 12.537 -1.087 1.00 0.00 C ATOM 209 CG ASN A 12 7.791 11.217 -0.743 1.00 0.00 C ATOM 210 OD1 ASN A 12 8.947 10.983 -1.057 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.117 10.293 -0.107 1.00 0.00 N ATOM 0 H ASN A 12 6.638 12.519 1.976 1.00 0.00 H new ATOM 0 HA ASN A 12 6.033 14.209 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.489 12.383 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.892 13.251 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.559 9.401 0.116 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.149 10.465 0.166 1.00 0.00 H new ATOM 218 N LYS A 13 4.083 12.555 -0.917 1.00 0.00 N ATOM 219 CA LYS A 13 2.835 11.803 -1.143 1.00 0.00 C ATOM 220 C LYS A 13 3.054 10.291 -1.307 1.00 0.00 C ATOM 221 O LYS A 13 4.184 9.811 -1.413 1.00 0.00 O ATOM 222 CB LYS A 13 2.081 12.423 -2.338 1.00 0.00 C ATOM 223 CG LYS A 13 2.881 12.593 -3.642 1.00 0.00 C ATOM 224 CD LYS A 13 2.593 13.946 -4.309 1.00 0.00 C ATOM 225 CE LYS A 13 3.479 15.060 -3.729 1.00 0.00 C ATOM 226 NZ LYS A 13 3.177 16.382 -4.338 1.00 0.00 N ATOM 0 H LYS A 13 4.292 13.186 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 13 2.220 11.892 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.210 11.803 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.709 13.402 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.947 12.511 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.631 11.786 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.763 13.867 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.543 14.205 -4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.333 15.115 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.528 14.814 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.013 16.996 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.925 16.254 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.381 16.822 -3.834 1.00 0.00 H new ATOM 240 N PHE A 14 1.955 9.545 -1.373 1.00 0.00 N ATOM 241 CA PHE A 14 1.900 8.089 -1.547 1.00 0.00 C ATOM 242 C PHE A 14 0.713 7.701 -2.436 1.00 0.00 C ATOM 243 O PHE A 14 -0.262 8.453 -2.548 1.00 0.00 O ATOM 244 CB PHE A 14 1.829 7.393 -0.173 1.00 0.00 C ATOM 245 CG PHE A 14 0.782 7.944 0.783 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.585 7.645 0.607 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.177 8.778 1.847 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.550 8.227 1.450 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.211 9.340 2.700 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.154 9.102 2.477 1.00 0.00 C ATOM 0 H PHE A 14 1.025 9.959 -1.303 1.00 0.00 H new ATOM 0 HA PHE A 14 2.809 7.755 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.630 6.333 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.806 7.466 0.304 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.892 6.968 -0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.224 8.986 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.597 8.001 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.521 9.957 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.897 9.589 3.091 1.00 0.00 H new ATOM 260 N CYS A 15 0.805 6.537 -3.079 1.00 0.00 N ATOM 261 CA CYS A 15 -0.251 5.939 -3.900 1.00 0.00 C ATOM 262 C CYS A 15 -0.790 4.643 -3.279 1.00 0.00 C ATOM 263 O CYS A 15 -0.048 3.859 -2.681 1.00 0.00 O ATOM 264 CB CYS A 15 0.253 5.698 -5.330 1.00 0.00 C ATOM 265 SG CYS A 15 -1.088 5.303 -6.495 1.00 0.00 S ATOM 0 H CYS A 15 1.647 5.963 -3.042 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.081 6.645 -3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.781 6.586 -5.678 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.974 4.881 -5.323 1.00 0.00 H new ATOM 270 N VAL A 16 -2.089 4.406 -3.469 1.00 0.00 N ATOM 271 CA VAL A 16 -2.867 3.279 -2.904 1.00 0.00 C ATOM 272 C VAL A 16 -4.013 2.845 -3.845 1.00 0.00 C ATOM 273 O VAL A 16 -4.187 3.434 -4.910 1.00 0.00 O ATOM 274 CB VAL A 16 -3.422 3.636 -1.504 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.364 3.771 -0.412 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.248 4.922 -1.505 1.00 0.00 C ATOM 0 H VAL A 16 -2.664 5.019 -4.048 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.184 2.436 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.050 2.777 -1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.846 4.022 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.828 2.828 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.661 4.559 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.611 5.122 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.627 5.753 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.096 4.809 -2.180 1.00 0.00 H new ATOM 286 N THR A 17 -4.818 1.841 -3.463 1.00 0.00 N ATOM 287 CA THR A 17 -6.030 1.386 -4.195 1.00 0.00 C ATOM 288 C THR A 17 -7.275 1.396 -3.301 1.00 0.00 C ATOM 289 O THR A 17 -7.309 0.688 -2.294 1.00 0.00 O ATOM 290 CB THR A 17 -5.846 -0.037 -4.753 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.654 -0.137 -5.499 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.961 -0.477 -5.694 1.00 0.00 C ATOM 0 H THR A 17 -4.646 1.303 -2.614 1.00 0.00 H new ATOM 0 HA THR A 17 -6.171 2.090 -5.015 1.00 0.00 H new ATOM 0 HB THR A 17 -5.840 -0.674 -3.868 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.558 -1.050 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.762 -1.489 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.913 -0.458 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.007 0.201 -6.546 1.00 0.00 H new ATOM 300 N CYS A 18 -8.301 2.183 -3.656 1.00 0.00 N ATOM 301 CA CYS A 18 -9.588 2.236 -2.956 1.00 0.00 C ATOM 302 C CYS A 18 -10.540 1.152 -3.453 1.00 0.00 C ATOM 303 O CYS A 18 -10.771 1.023 -4.654 1.00 0.00 O ATOM 304 CB CYS A 18 -10.252 3.594 -3.171 1.00 0.00 C ATOM 305 SG CYS A 18 -11.622 3.959 -2.062 1.00 0.00 S ATOM 0 H CYS A 18 -8.256 2.814 -4.456 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.385 2.076 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.497 4.372 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.613 3.646 -4.198 1.00 0.00 H new ATOM 310 N GLU A 19 -11.142 0.417 -2.526 1.00 0.00 N ATOM 311 CA GLU A 19 -12.145 -0.606 -2.805 1.00 0.00 C ATOM 312 C GLU A 19 -13.258 -0.525 -1.753 1.00 0.00 C ATOM 313 O GLU A 19 -13.028 -0.776 -0.571 1.00 0.00 O ATOM 314 CB GLU A 19 -11.472 -1.986 -2.863 1.00 0.00 C ATOM 315 CG GLU A 19 -12.367 -3.012 -3.567 1.00 0.00 C ATOM 316 CD GLU A 19 -11.666 -4.379 -3.678 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.704 -4.502 -4.474 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.089 -5.339 -2.989 1.00 0.00 O ATOM 0 H GLU A 19 -10.941 0.518 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.608 -0.439 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.521 -1.907 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.249 -2.327 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.301 -3.123 -3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.625 -2.651 -4.562 1.00 0.00 H new ATOM 325 N ASN A 20 -14.459 -0.128 -2.185 1.00 0.00 N ATOM 326 CA ASN A 20 -15.605 0.205 -1.325 1.00 0.00 C ATOM 327 C ASN A 20 -15.286 1.353 -0.333 1.00 0.00 C ATOM 328 O ASN A 20 -15.434 1.225 0.884 1.00 0.00 O ATOM 329 CB ASN A 20 -16.193 -1.067 -0.672 1.00 0.00 C ATOM 330 CG ASN A 20 -16.884 -2.001 -1.652 1.00 0.00 C ATOM 331 OD1 ASN A 20 -18.100 -2.128 -1.665 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.152 -2.684 -2.504 1.00 0.00 N ATOM 0 H ASN A 20 -14.670 -0.025 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.399 0.610 -1.952 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.391 -1.610 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.906 -0.772 0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.599 -3.314 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.137 -2.583 -2.499 1.00 0.00 H new ATOM 339 N GLN A 21 -14.896 2.510 -0.888 1.00 0.00 N ATOM 340 CA GLN A 21 -14.735 3.819 -0.223 1.00 0.00 C ATOM 341 C GLN A 21 -13.632 3.867 0.854 1.00 0.00 C ATOM 342 O GLN A 21 -13.691 4.678 1.782 1.00 0.00 O ATOM 343 CB GLN A 21 -16.086 4.342 0.307 1.00 0.00 C ATOM 344 CG GLN A 21 -17.208 4.368 -0.740 1.00 0.00 C ATOM 345 CD GLN A 21 -18.151 3.177 -0.633 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.778 2.912 0.383 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.319 2.430 -1.696 1.00 0.00 N ATOM 0 H GLN A 21 -14.668 2.563 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.381 4.497 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.400 3.719 1.144 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.945 5.350 0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.781 5.289 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.767 4.386 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.804 2.637 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.965 1.641 -1.668 1.00 0.00 H new ATOM 356 N ALA A 22 -12.626 2.997 0.745 1.00 0.00 N ATOM 357 CA ALA A 22 -11.539 2.855 1.696 1.00 0.00 C ATOM 358 C ALA A 22 -10.340 2.159 1.016 1.00 0.00 C ATOM 359 O ALA A 22 -10.531 1.192 0.271 1.00 0.00 O ATOM 360 CB ALA A 22 -12.073 2.047 2.882 1.00 0.00 C ATOM 0 H ALA A 22 -12.550 2.351 -0.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.186 3.824 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.282 1.919 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.911 2.577 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.407 1.069 2.535 1.00 0.00 H new ATOM 366 N PRO A 23 -9.107 2.654 1.206 1.00 0.00 N ATOM 367 CA PRO A 23 -7.903 2.074 0.621 1.00 0.00 C ATOM 368 C PRO A 23 -7.427 0.794 1.328 1.00 0.00 C ATOM 369 O PRO A 23 -6.948 0.825 2.459 1.00 0.00 O ATOM 370 CB PRO A 23 -6.884 3.208 0.627 1.00 0.00 C ATOM 371 CG PRO A 23 -7.283 4.028 1.848 1.00 0.00 C ATOM 372 CD PRO A 23 -8.801 3.923 1.843 1.00 0.00 C ATOM 0 HA PRO A 23 -8.082 1.712 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.864 2.832 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.933 3.798 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.853 3.624 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.949 5.062 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.199 3.958 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.249 4.753 1.297 1.00 0.00 H new ATOM 380 N VAL A 24 -7.545 -0.344 0.636 1.00 0.00 N ATOM 381 CA VAL A 24 -7.175 -1.694 1.103 1.00 0.00 C ATOM 382 C VAL A 24 -5.938 -2.254 0.383 1.00 0.00 C ATOM 383 O VAL A 24 -5.708 -3.459 0.421 1.00 0.00 O ATOM 384 CB VAL A 24 -8.374 -2.677 1.050 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.657 -2.064 1.627 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.737 -3.160 -0.359 1.00 0.00 C ATOM 0 H VAL A 24 -7.919 -0.354 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.895 -1.588 2.151 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.022 -3.519 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.467 -2.791 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.492 -1.789 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.925 -1.175 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.585 -3.843 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.001 -2.304 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.884 -3.677 -0.798 1.00 0.00 H new ATOM 396 N HIS A 25 -5.139 -1.425 -0.307 1.00 0.00 N ATOM 397 CA HIS A 25 -3.897 -1.864 -0.975 1.00 0.00 C ATOM 398 C HIS A 25 -2.905 -0.712 -1.074 1.00 0.00 C ATOM 399 O HIS A 25 -3.293 0.392 -1.456 1.00 0.00 O ATOM 400 CB HIS A 25 -4.219 -2.369 -2.395 1.00 0.00 C ATOM 401 CG HIS A 25 -3.356 -3.496 -2.906 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.082 -3.397 -3.442 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.799 -4.771 -3.110 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.775 -4.597 -3.978 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.803 -5.449 -3.787 1.00 0.00 N ATOM 0 H HIS A 25 -5.333 -0.430 -0.419 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.456 -2.667 -0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.259 -2.695 -2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.134 -1.530 -3.086 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.486 -2.569 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.751 -5.175 -2.800 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -0.850 -4.838 -4.481 1.00 0.00 H new ATOM 414 N PHE A 26 -1.628 -0.963 -0.799 1.00 0.00 N ATOM 415 CA PHE A 26 -0.558 -0.009 -1.104 1.00 0.00 C ATOM 416 C PHE A 26 -0.187 -0.093 -2.595 1.00 0.00 C ATOM 417 O PHE A 26 -0.369 -1.145 -3.213 1.00 0.00 O ATOM 418 CB PHE A 26 0.635 -0.310 -0.176 1.00 0.00 C ATOM 419 CG PHE A 26 1.774 0.698 -0.154 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.527 2.087 -0.205 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.101 0.241 -0.013 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.594 2.999 -0.155 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.167 1.155 0.042 1.00 0.00 C ATOM 424 CZ PHE A 26 3.913 2.534 -0.034 1.00 0.00 C ATOM 0 H PHE A 26 -1.304 -1.826 -0.362 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.882 1.016 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.254 -0.411 0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.047 -1.278 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.513 2.450 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.299 -0.819 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.399 4.060 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.181 0.797 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.732 3.237 0.001 1.00 0.00 H new ATOM 434 N VAL A 27 0.312 1.000 -3.182 1.00 0.00 N ATOM 435 CA VAL A 27 0.811 1.026 -4.576 1.00 0.00 C ATOM 436 C VAL A 27 2.237 1.578 -4.687 1.00 0.00 C ATOM 437 O VAL A 27 3.061 0.974 -5.377 1.00 0.00 O ATOM 438 CB VAL A 27 -0.152 1.792 -5.507 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.366 1.893 -6.943 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.526 1.130 -5.590 1.00 0.00 C ATOM 0 H VAL A 27 0.385 1.900 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 27 0.849 -0.013 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.224 2.783 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.353 2.442 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.322 2.417 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.499 0.892 -7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.168 1.706 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.419 0.116 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.974 1.095 -4.597 1.00 0.00 H new ATOM 450 N GLY A 28 2.555 2.713 -4.053 1.00 0.00 N ATOM 451 CA GLY A 28 3.871 3.342 -4.206 1.00 0.00 C ATOM 452 C GLY A 28 4.056 4.652 -3.442 1.00 0.00 C ATOM 453 O GLY A 28 3.194 5.080 -2.675 1.00 0.00 O ATOM 0 H GLY A 28 1.920 3.213 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.634 2.637 -3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.046 3.529 -5.265 1.00 0.00 H new ATOM 457 N VAL A 29 5.206 5.292 -3.658 1.00 0.00 N ATOM 458 CA VAL A 29 5.667 6.504 -2.958 1.00 0.00 C ATOM 459 C VAL A 29 6.013 7.592 -3.978 1.00 0.00 C ATOM 460 O VAL A 29 6.835 7.368 -4.868 1.00 0.00 O ATOM 461 CB VAL A 29 6.880 6.190 -2.059 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.283 7.420 -1.252 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.586 5.072 -1.053 1.00 0.00 C ATOM 0 H VAL A 29 5.876 4.969 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 29 4.863 6.866 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 29 7.678 5.877 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.140 7.178 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.548 8.230 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.449 7.732 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.471 4.889 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.758 5.370 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.319 4.161 -1.589 1.00 0.00 H new ATOM 473 N GLY A 30 5.352 8.753 -3.892 1.00 0.00 N ATOM 474 CA GLY A 30 5.497 9.861 -4.851 1.00 0.00 C ATOM 475 C GLY A 30 5.049 9.566 -6.297 1.00 0.00 C ATOM 476 O GLY A 30 5.230 10.409 -7.176 1.00 0.00 O ATOM 0 H GLY A 30 4.690 8.955 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.926 10.713 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.544 10.164 -4.871 1.00 0.00 H new ATOM 480 N SER A 31 4.487 8.380 -6.555 1.00 0.00 N ATOM 481 CA SER A 31 4.041 7.859 -7.856 1.00 0.00 C ATOM 482 C SER A 31 3.194 6.587 -7.667 1.00 0.00 C ATOM 483 O SER A 31 3.229 5.964 -6.601 1.00 0.00 O ATOM 484 CB SER A 31 5.264 7.537 -8.730 1.00 0.00 C ATOM 485 OG SER A 31 4.863 7.267 -10.064 1.00 0.00 O ATOM 0 H SER A 31 4.319 7.708 -5.806 1.00 0.00 H new ATOM 0 HA SER A 31 3.430 8.618 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.960 8.376 -8.716 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.794 6.676 -8.322 1.00 0.00 H new ATOM 0 HG SER A 31 5.653 7.066 -10.608 1.00 0.00 H new ATOM 491 N CYS A 32 2.450 6.181 -8.699 1.00 0.00 N ATOM 492 CA CYS A 32 1.681 4.938 -8.770 1.00 0.00 C ATOM 493 C CYS A 32 2.368 3.911 -9.694 1.00 0.00 C ATOM 494 O CYS A 32 2.459 4.116 -10.907 1.00 0.00 O ATOM 495 CB CYS A 32 0.262 5.253 -9.256 1.00 0.00 C ATOM 496 SG CYS A 32 -0.707 6.357 -8.195 1.00 0.00 S ATOM 0 H CYS A 32 2.364 6.738 -9.549 1.00 0.00 H new ATOM 0 HA CYS A 32 1.630 4.492 -7.777 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.329 5.699 -10.248 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.282 4.314 -9.364 1.00 0.00 H new ATOM 707 N ASP A 50 -8.412 -5.717 4.970 1.00 0.00 N ATOM 708 CA ASP A 50 -9.252 -4.532 4.828 1.00 0.00 C ATOM 709 C ASP A 50 -8.411 -3.266 5.090 1.00 0.00 C ATOM 710 O ASP A 50 -7.278 -3.323 5.574 1.00 0.00 O ATOM 711 CB ASP A 50 -10.429 -4.642 5.825 1.00 0.00 C ATOM 712 CG ASP A 50 -11.718 -3.978 5.310 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.679 -2.775 4.965 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.774 -4.653 5.267 1.00 0.00 O ATOM 0 HA ASP A 50 -9.651 -4.463 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.626 -5.694 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.142 -4.181 6.770 1.00 0.00 H new ATOM 719 N TRP A 51 -8.995 -2.101 4.842 1.00 0.00 N ATOM 720 CA TRP A 51 -8.495 -0.786 5.253 1.00 0.00 C ATOM 721 C TRP A 51 -8.269 -0.725 6.774 1.00 0.00 C ATOM 722 O TRP A 51 -7.295 -0.139 7.254 1.00 0.00 O ATOM 723 CB TRP A 51 -9.491 0.285 4.788 1.00 0.00 C ATOM 724 CG TRP A 51 -9.600 1.489 5.672 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.631 1.755 6.505 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.636 2.566 5.859 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.376 2.931 7.185 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.166 3.480 6.814 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.361 2.854 5.332 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.484 4.645 7.195 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.664 4.017 5.708 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.226 4.917 6.630 1.00 0.00 C ATOM 0 H TRP A 51 -9.872 -2.039 4.325 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.526 -0.603 4.788 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.205 0.614 3.789 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.477 -0.172 4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.515 1.145 6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.004 3.342 7.875 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.911 2.170 4.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.920 5.324 7.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.691 4.220 5.285 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.693 5.815 6.904 1.00 0.00 H new ATOM 743 N LEU A 52 -9.154 -1.373 7.538 1.00 0.00 N ATOM 744 CA LEU A 52 -9.144 -1.447 9.001 1.00 0.00 C ATOM 745 C LEU A 52 -7.846 -2.060 9.568 1.00 0.00 C ATOM 746 O LEU A 52 -7.452 -1.728 10.686 1.00 0.00 O ATOM 747 CB LEU A 52 -10.398 -2.236 9.445 1.00 0.00 C ATOM 748 CG LEU A 52 -11.226 -1.633 10.597 1.00 0.00 C ATOM 749 CD1 LEU A 52 -10.425 -1.444 11.883 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.862 -0.295 10.212 1.00 0.00 C ATOM 0 H LEU A 52 -9.936 -1.886 7.131 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.172 -0.436 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.052 -2.350 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.083 -3.237 9.741 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.009 -2.368 10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.068 -1.016 12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.047 -2.409 12.221 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.588 -0.772 11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.435 0.091 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.080 0.417 9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.524 -0.439 9.358 1.00 0.00 H new ATOM 762 N THR A 53 -7.157 -2.907 8.795 1.00 0.00 N ATOM 763 CA THR A 53 -5.849 -3.503 9.126 1.00 0.00 C ATOM 764 C THR A 53 -4.682 -2.930 8.309 1.00 0.00 C ATOM 765 O THR A 53 -3.563 -2.887 8.819 1.00 0.00 O ATOM 766 CB THR A 53 -5.893 -5.032 8.990 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.443 -5.428 7.751 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.750 -5.667 10.085 1.00 0.00 C ATOM 0 H THR A 53 -7.505 -3.211 7.886 1.00 0.00 H new ATOM 0 HA THR A 53 -5.658 -3.234 10.165 1.00 0.00 H new ATOM 0 HB THR A 53 -4.859 -5.368 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.455 -6.406 7.696 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.759 -6.750 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.334 -5.420 11.062 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.769 -5.285 10.017 1.00 0.00 H new ATOM 776 N PHE A 54 -4.927 -2.382 7.112 1.00 0.00 N ATOM 777 CA PHE A 54 -3.965 -1.639 6.273 1.00 0.00 C ATOM 778 C PHE A 54 -3.231 -0.538 7.049 1.00 0.00 C ATOM 779 O PHE A 54 -2.012 -0.394 6.928 1.00 0.00 O ATOM 780 CB PHE A 54 -4.727 -1.049 5.073 1.00 0.00 C ATOM 781 CG PHE A 54 -3.964 -0.050 4.225 1.00 0.00 C ATOM 782 CD1 PHE A 54 -4.019 1.321 4.541 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.221 -0.478 3.111 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.316 2.256 3.764 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.507 0.460 2.344 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.547 1.824 2.674 1.00 0.00 C ATOM 0 H PHE A 54 -5.847 -2.445 6.676 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.193 -2.330 5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.046 -1.870 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.630 -0.565 5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.605 1.655 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.199 -1.524 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.368 3.307 4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.925 0.129 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.987 2.539 2.090 1.00 0.00 H new ATOM 796 N GLN A 55 -3.973 0.196 7.884 1.00 0.00 N ATOM 797 CA GLN A 55 -3.442 1.203 8.805 1.00 0.00 C ATOM 798 C GLN A 55 -2.386 0.591 9.729 1.00 0.00 C ATOM 799 O GLN A 55 -1.214 0.957 9.650 1.00 0.00 O ATOM 800 CB GLN A 55 -4.590 1.811 9.620 1.00 0.00 C ATOM 801 CG GLN A 55 -5.513 2.675 8.756 1.00 0.00 C ATOM 802 CD GLN A 55 -6.869 2.817 9.427 1.00 0.00 C ATOM 803 OE1 GLN A 55 -7.125 3.706 10.229 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.770 1.906 9.149 1.00 0.00 N ATOM 0 H GLN A 55 -4.987 0.103 7.939 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.961 1.992 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.169 1.012 10.082 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.180 2.416 10.429 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.068 3.658 8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.631 2.223 7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.557 1.165 8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.684 1.938 9.601 1.00 0.00 H new ATOM 813 N LYS A 56 -2.775 -0.380 10.569 1.00 0.00 N ATOM 814 CA LYS A 56 -1.824 -1.031 11.504 1.00 0.00 C ATOM 815 C LYS A 56 -0.635 -1.707 10.802 1.00 0.00 C ATOM 816 O LYS A 56 0.435 -1.824 11.401 1.00 0.00 O ATOM 817 CB LYS A 56 -2.502 -2.051 12.437 1.00 0.00 C ATOM 818 CG LYS A 56 -3.562 -1.446 13.372 1.00 0.00 C ATOM 819 CD LYS A 56 -4.984 -1.792 12.919 1.00 0.00 C ATOM 820 CE LYS A 56 -6.008 -1.175 13.876 1.00 0.00 C ATOM 821 NZ LYS A 56 -7.382 -1.614 13.531 1.00 0.00 N ATOM 0 H LYS A 56 -3.730 -0.734 10.626 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.441 -0.205 12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.970 -2.826 11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.737 -2.538 13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.404 -1.813 14.386 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.444 -0.363 13.403 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.152 -1.422 11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.110 -2.874 12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.775 -1.465 14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.946 -0.088 13.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.068 -0.917 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.471 -1.695 12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.571 -2.538 13.968 1.00 0.00 H new ATOM 835 N LYS A 57 -0.805 -2.141 9.545 1.00 0.00 N ATOM 836 CA LYS A 57 0.216 -2.853 8.760 1.00 0.00 C ATOM 837 C LYS A 57 1.479 -2.013 8.508 1.00 0.00 C ATOM 838 O LYS A 57 2.579 -2.480 8.806 1.00 0.00 O ATOM 839 CB LYS A 57 -0.405 -3.392 7.454 1.00 0.00 C ATOM 840 CG LYS A 57 0.416 -4.551 6.866 1.00 0.00 C ATOM 841 CD LYS A 57 0.141 -5.878 7.600 1.00 0.00 C ATOM 842 CE LYS A 57 1.424 -6.703 7.757 1.00 0.00 C ATOM 843 NZ LYS A 57 1.158 -7.994 8.447 1.00 0.00 N ATOM 0 H LYS A 57 -1.676 -2.004 9.033 1.00 0.00 H new ATOM 0 HA LYS A 57 0.558 -3.701 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.423 -3.730 7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.471 -2.586 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.178 -4.665 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.478 -4.313 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.284 -5.672 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.600 -6.455 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.857 -6.896 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.159 -6.131 8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.046 -8.528 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.768 -7.808 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.475 -8.549 7.893 1.00 0.00 H new ATOM 857 N HIS A 58 1.347 -0.800 7.949 1.00 0.00 N ATOM 858 CA HIS A 58 2.495 0.058 7.586 1.00 0.00 C ATOM 859 C HIS A 58 2.232 1.575 7.708 1.00 0.00 C ATOM 860 O HIS A 58 2.906 2.383 7.072 1.00 0.00 O ATOM 861 CB HIS A 58 2.988 -0.347 6.185 1.00 0.00 C ATOM 862 CG HIS A 58 2.107 0.179 5.084 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.400 1.281 4.309 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.834 -0.231 4.799 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.304 1.548 3.571 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.341 0.645 3.853 1.00 0.00 N ATOM 0 H HIS A 58 0.442 -0.382 7.734 1.00 0.00 H new ATOM 0 HA HIS A 58 3.281 -0.116 8.321 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.003 0.023 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.033 -1.434 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.316 -1.075 5.230 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.211 2.359 2.864 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.590 0.615 3.438 1.00 0.00 H new ATOM 875 N ILE A 59 1.261 1.992 8.514 1.00 0.00 N ATOM 876 CA ILE A 59 0.961 3.409 8.807 1.00 0.00 C ATOM 877 C ILE A 59 0.990 3.634 10.324 1.00 0.00 C ATOM 878 O ILE A 59 0.705 2.728 11.111 1.00 0.00 O ATOM 879 CB ILE A 59 -0.372 3.862 8.148 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.378 3.476 6.646 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.616 5.373 8.340 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.355 4.245 5.749 1.00 0.00 C ATOM 0 H ILE A 59 0.639 1.345 8.999 1.00 0.00 H new ATOM 0 HA ILE A 59 1.731 4.040 8.363 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.193 3.344 8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.629 3.616 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.606 2.413 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.557 5.653 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.664 5.601 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.200 5.934 7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.267 3.886 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.374 4.087 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.120 5.309 5.783 1.00 0.00 H new ATOM 894 N THR A 60 1.351 4.843 10.751 1.00 0.00 N ATOM 895 CA THR A 60 1.316 5.244 12.166 1.00 0.00 C ATOM 896 C THR A 60 0.939 6.714 12.364 1.00 0.00 C ATOM 897 O THR A 60 1.251 7.570 11.537 1.00 0.00 O ATOM 898 CB THR A 60 2.653 4.922 12.852 1.00 0.00 C ATOM 899 OG1 THR A 60 2.537 5.229 14.221 1.00 0.00 O ATOM 900 CG2 THR A 60 3.855 5.685 12.288 1.00 0.00 C ATOM 0 H THR A 60 1.678 5.579 10.126 1.00 0.00 H new ATOM 0 HA THR A 60 0.526 4.660 12.637 1.00 0.00 H new ATOM 0 HB THR A 60 2.844 3.864 12.672 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.412 5.497 14.571 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.756 5.397 12.830 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.975 5.445 11.231 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.691 6.757 12.401 1.00 0.00 H new ATOM 908 N ASN A 61 0.310 7.016 13.504 1.00 0.00 N ATOM 909 CA ASN A 61 0.076 8.365 14.014 1.00 0.00 C ATOM 910 C ASN A 61 1.284 8.930 14.802 1.00 0.00 C ATOM 911 O ASN A 61 1.228 10.066 15.275 1.00 0.00 O ATOM 912 CB ASN A 61 -1.213 8.331 14.854 1.00 0.00 C ATOM 913 CG ASN A 61 -1.117 7.455 16.095 1.00 0.00 C ATOM 914 OD1 ASN A 61 -0.540 7.824 17.107 1.00 0.00 O ATOM 915 ND2 ASN A 61 -1.673 6.264 16.059 1.00 0.00 N ATOM 0 H ASN A 61 -0.065 6.295 14.120 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.045 9.053 13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.464 9.347 15.157 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.032 7.972 14.231 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.622 5.652 16.874 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.156 5.952 15.216 1.00 0.00 H new ATOM 922 N THR A 62 2.367 8.155 14.954 1.00 0.00 N ATOM 923 CA THR A 62 3.623 8.534 15.625 1.00 0.00 C ATOM 924 C THR A 62 4.772 7.585 15.239 1.00 0.00 C ATOM 925 O THR A 62 4.787 6.411 15.620 1.00 0.00 O ATOM 926 CB THR A 62 3.425 8.609 17.157 1.00 0.00 C ATOM 927 OG1 THR A 62 4.625 9.005 17.792 1.00 0.00 O ATOM 928 CG2 THR A 62 2.934 7.324 17.837 1.00 0.00 C ATOM 0 H THR A 62 2.394 7.200 14.596 1.00 0.00 H new ATOM 0 HA THR A 62 3.905 9.529 15.282 1.00 0.00 H new ATOM 0 HB THR A 62 2.629 9.344 17.276 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.483 9.049 18.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.832 7.496 18.909 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.967 7.039 17.421 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.653 6.523 17.665 1.00 0.00 H new ATOM 936 N ARG A 63 5.741 8.046 14.431 1.00 0.00 N ATOM 937 CA ARG A 63 6.957 7.266 14.135 1.00 0.00 C ATOM 938 C ARG A 63 7.841 7.140 15.383 1.00 0.00 C ATOM 939 O ARG A 63 8.504 8.095 15.788 1.00 0.00 O ATOM 940 CB ARG A 63 7.739 7.857 12.949 1.00 0.00 C ATOM 941 CG ARG A 63 8.933 6.950 12.595 1.00 0.00 C ATOM 942 CD ARG A 63 9.771 7.533 11.461 1.00 0.00 C ATOM 943 NE ARG A 63 10.500 8.756 11.856 1.00 0.00 N ATOM 944 CZ ARG A 63 11.665 8.845 12.476 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.331 7.798 12.879 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.195 10.012 12.703 1.00 0.00 N ATOM 0 H ARG A 63 5.707 8.955 13.970 1.00 0.00 H new ATOM 0 HA ARG A 63 6.644 6.264 13.842 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.082 7.959 12.085 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.094 8.857 13.200 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.559 6.813 13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.568 5.964 12.307 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.486 6.783 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.122 7.760 10.616 1.00 0.00 H new ATOM 0 HE ARG A 63 10.049 9.641 11.622 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.956 6.863 12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.226 7.915 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.712 10.859 12.403 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.093 10.080 13.181 1.00 0.00 H new ATOM 960 N ASP A 64 7.892 5.933 15.942 1.00 0.00 N ATOM 961 CA ASP A 64 8.800 5.528 17.029 1.00 0.00 C ATOM 962 C ASP A 64 9.819 4.452 16.582 1.00 0.00 C ATOM 963 O ASP A 64 10.581 3.918 17.391 1.00 0.00 O ATOM 964 CB ASP A 64 7.943 5.084 18.227 1.00 0.00 C ATOM 965 CG ASP A 64 8.747 4.936 19.533 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.425 5.910 19.944 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.658 3.867 20.185 1.00 0.00 O ATOM 0 H ASP A 64 7.279 5.174 15.642 1.00 0.00 H new ATOM 0 HA ASP A 64 9.417 6.376 17.326 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.144 5.809 18.381 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.468 4.132 17.991 1.00 0.00 H new ATOM 972 N VAL A 65 9.838 4.118 15.285 1.00 0.00 N ATOM 973 CA VAL A 65 10.678 3.066 14.691 1.00 0.00 C ATOM 974 C VAL A 65 12.144 3.508 14.584 1.00 0.00 C ATOM 975 O VAL A 65 12.441 4.612 14.122 1.00 0.00 O ATOM 976 CB VAL A 65 10.128 2.665 13.306 1.00 0.00 C ATOM 977 CG1 VAL A 65 11.023 1.634 12.608 1.00 0.00 C ATOM 978 CG2 VAL A 65 8.727 2.051 13.436 1.00 0.00 C ATOM 0 H VAL A 65 9.250 4.587 14.596 1.00 0.00 H new ATOM 0 HA VAL A 65 10.645 2.198 15.349 1.00 0.00 H new ATOM 0 HB VAL A 65 10.097 3.579 12.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.598 1.381 11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.020 2.052 12.470 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.089 0.735 13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.358 1.775 12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.776 1.163 14.066 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.051 2.778 13.886 1.00 0.00 H new ATOM 988 N ASP A 66 13.056 2.601 14.951 1.00 0.00 N ATOM 989 CA ASP A 66 14.521 2.762 14.874 1.00 0.00 C ATOM 990 C ASP A 66 15.218 1.626 14.083 1.00 0.00 C ATOM 991 O ASP A 66 16.443 1.588 13.987 1.00 0.00 O ATOM 992 CB ASP A 66 15.061 2.885 16.311 1.00 0.00 C ATOM 993 CG ASP A 66 16.504 3.423 16.387 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.795 4.483 15.781 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.330 2.824 17.117 1.00 0.00 O ATOM 0 H ASP A 66 12.786 1.692 15.327 1.00 0.00 H new ATOM 0 HA ASP A 66 14.749 3.667 14.310 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.406 3.545 16.880 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.022 1.906 16.789 1.00 0.00 H new ATOM 1000 N CYS A 67 14.438 0.698 13.506 1.00 0.00 N ATOM 1001 CA CYS A 67 14.876 -0.462 12.706 1.00 0.00 C ATOM 1002 C CYS A 67 15.858 -1.416 13.434 1.00 0.00 C ATOM 1003 O CYS A 67 16.696 -2.075 12.821 1.00 0.00 O ATOM 1004 CB CYS A 67 15.328 0.012 11.315 1.00 0.00 C ATOM 1005 SG CYS A 67 14.139 1.138 10.526 1.00 0.00 S ATOM 0 H CYS A 67 13.422 0.738 13.589 1.00 0.00 H new ATOM 0 HA CYS A 67 14.016 -1.116 12.560 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.291 0.514 11.404 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.479 -0.856 10.673 1.00 0.00 H new ATOM 1010 N ASP A 68 15.717 -1.507 14.761 1.00 0.00 N ATOM 1011 CA ASP A 68 16.495 -2.320 15.707 1.00 0.00 C ATOM 1012 C ASP A 68 15.648 -2.840 16.894 1.00 0.00 C ATOM 1013 O ASP A 68 16.025 -3.826 17.526 1.00 0.00 O ATOM 1014 CB ASP A 68 17.683 -1.493 16.227 1.00 0.00 C ATOM 1015 CG ASP A 68 18.906 -1.566 15.297 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.579 -2.626 15.281 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.268 -0.547 14.664 1.00 0.00 O ATOM 0 H ASP A 68 14.996 -0.970 15.243 1.00 0.00 H new ATOM 0 HA ASP A 68 16.849 -3.200 15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.376 -0.453 16.337 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.963 -1.849 17.218 1.00 0.00 H new ATOM 1022 N ASN A 69 14.484 -2.236 17.178 1.00 0.00 N ATOM 1023 CA ASN A 69 13.560 -2.613 18.260 1.00 0.00 C ATOM 1024 C ASN A 69 12.239 -3.234 17.753 1.00 0.00 C ATOM 1025 O ASN A 69 11.424 -3.688 18.556 1.00 0.00 O ATOM 1026 CB ASN A 69 13.302 -1.388 19.156 1.00 0.00 C ATOM 1027 CG ASN A 69 14.589 -0.824 19.730 1.00 0.00 C ATOM 1028 OD1 ASN A 69 15.137 -1.309 20.710 1.00 0.00 O ATOM 1029 ND2 ASN A 69 15.120 0.205 19.112 1.00 0.00 N ATOM 0 H ASN A 69 14.147 -1.439 16.638 1.00 0.00 H new ATOM 0 HA ASN A 69 14.038 -3.400 18.843 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.794 -0.616 18.578 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.634 -1.668 19.970 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.996 0.606 19.448 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.657 0.604 18.295 1.00 0.00 H new ATOM 1036 N ILE A 70 12.033 -3.322 16.430 1.00 0.00 N ATOM 1037 CA ILE A 70 10.831 -3.901 15.782 1.00 0.00 C ATOM 1038 C ILE A 70 10.654 -5.411 16.025 1.00 0.00 C ATOM 1039 O ILE A 70 9.617 -5.981 15.703 1.00 0.00 O ATOM 1040 CB ILE A 70 10.796 -3.548 14.279 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.938 -4.230 13.485 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.799 -2.013 14.150 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.153 -3.664 12.081 1.00 0.00 C ATOM 0 H ILE A 70 12.717 -2.983 15.754 1.00 0.00 H new ATOM 0 HA ILE A 70 9.971 -3.438 16.266 1.00 0.00 H new ATOM 0 HB ILE A 70 9.884 -3.940 13.828 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.865 -4.133 14.049 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.723 -5.296 13.406 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.775 -1.736 13.096 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.923 -1.604 14.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.702 -1.611 14.610 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.970 -4.197 11.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.241 -3.786 11.496 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.401 -2.605 12.150 1.00 0.00 H new ATOM 1055 N MET A 71 11.628 -6.040 16.688 1.00 0.00 N ATOM 1056 CA MET A 71 11.469 -7.333 17.378 1.00 0.00 C ATOM 1057 C MET A 71 10.309 -7.353 18.398 1.00 0.00 C ATOM 1058 O MET A 71 9.732 -8.411 18.655 1.00 0.00 O ATOM 1059 CB MET A 71 12.787 -7.735 18.068 1.00 0.00 C ATOM 1060 CG MET A 71 13.301 -6.710 19.092 1.00 0.00 C ATOM 1061 SD MET A 71 14.821 -7.204 19.946 1.00 0.00 S ATOM 1062 CE MET A 71 14.130 -8.278 21.236 1.00 0.00 C ATOM 0 H MET A 71 12.572 -5.660 16.765 1.00 0.00 H new ATOM 0 HA MET A 71 11.213 -8.060 16.607 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.644 -8.692 18.569 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.552 -7.885 17.306 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.476 -5.762 18.583 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.522 -6.534 19.834 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.937 -8.669 21.855 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.442 -7.705 21.857 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.595 -9.107 20.772 1.00 0.00 H new ATOM 1072 N SER A 72 9.964 -6.197 18.980 1.00 0.00 N ATOM 1073 CA SER A 72 8.890 -6.028 19.971 1.00 0.00 C ATOM 1074 C SER A 72 7.509 -5.764 19.340 1.00 0.00 C ATOM 1075 O SER A 72 6.480 -6.098 19.935 1.00 0.00 O ATOM 1076 CB SER A 72 9.273 -4.863 20.896 1.00 0.00 C ATOM 1077 OG SER A 72 8.431 -4.789 22.036 1.00 0.00 O ATOM 0 H SER A 72 10.442 -5.321 18.767 1.00 0.00 H new ATOM 0 HA SER A 72 8.794 -6.963 20.523 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.308 -4.980 21.217 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.216 -3.926 20.342 1.00 0.00 H new ATOM 0 HG SER A 72 8.708 -4.036 22.599 1.00 0.00 H new ATOM 1083 N THR A 73 7.463 -5.183 18.134 1.00 0.00 N ATOM 1084 CA THR A 73 6.223 -4.864 17.397 1.00 0.00 C ATOM 1085 C THR A 73 5.751 -6.043 16.529 1.00 0.00 C ATOM 1086 O THR A 73 6.364 -7.113 16.513 1.00 0.00 O ATOM 1087 CB THR A 73 6.383 -3.593 16.538 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.251 -3.824 15.452 1.00 0.00 O ATOM 1089 CG2 THR A 73 6.929 -2.400 17.323 1.00 0.00 C ATOM 0 H THR A 73 8.306 -4.913 17.627 1.00 0.00 H new ATOM 0 HA THR A 73 5.456 -4.673 18.147 1.00 0.00 H new ATOM 0 HB THR A 73 5.378 -3.353 16.191 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.919 -4.495 15.704 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.018 -1.539 16.661 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.249 -2.161 18.141 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.910 -2.649 17.728 1.00 0.00 H new ATOM 1097 N ASN A 74 4.650 -5.869 15.786 1.00 0.00 N ATOM 1098 CA ASN A 74 4.126 -6.878 14.852 1.00 0.00 C ATOM 1099 C ASN A 74 5.064 -7.162 13.656 1.00 0.00 C ATOM 1100 O ASN A 74 4.902 -8.173 12.975 1.00 0.00 O ATOM 1101 CB ASN A 74 2.741 -6.435 14.342 1.00 0.00 C ATOM 1102 CG ASN A 74 1.760 -6.111 15.455 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.282 -6.977 16.174 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.437 -4.849 15.634 1.00 0.00 N ATOM 0 H ASN A 74 4.092 -5.016 15.816 1.00 0.00 H new ATOM 0 HA ASN A 74 4.050 -7.813 15.408 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.860 -5.557 13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.323 -7.225 13.718 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.786 -4.589 16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.838 -4.130 15.032 1.00 0.00 H new ATOM 1111 N LEU A 75 6.044 -6.290 13.393 1.00 0.00 N ATOM 1112 CA LEU A 75 6.947 -6.313 12.232 1.00 0.00 C ATOM 1113 C LEU A 75 8.252 -7.113 12.467 1.00 0.00 C ATOM 1114 O LEU A 75 9.221 -6.966 11.719 1.00 0.00 O ATOM 1115 CB LEU A 75 7.234 -4.854 11.814 1.00 0.00 C ATOM 1116 CG LEU A 75 6.089 -4.031 11.180 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.430 -4.749 10.001 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.003 -3.591 12.159 1.00 0.00 C ATOM 0 H LEU A 75 6.241 -5.507 14.016 1.00 0.00 H new ATOM 0 HA LEU A 75 6.447 -6.848 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.578 -4.317 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.063 -4.868 11.107 1.00 0.00 H new ATOM 0 HG LEU A 75 6.595 -3.132 10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.633 -4.126 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.174 -4.937 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.012 -5.697 10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.242 -3.020 11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.545 -4.470 12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.445 -2.969 12.937 1.00 0.00 H new ATOM 1130 N PHE A 76 8.279 -7.994 13.471 1.00 0.00 N ATOM 1131 CA PHE A 76 9.423 -8.817 13.898 1.00 0.00 C ATOM 1132 C PHE A 76 9.846 -9.892 12.881 1.00 0.00 C ATOM 1133 O PHE A 76 10.879 -10.541 13.047 1.00 0.00 O ATOM 1134 CB PHE A 76 9.088 -9.483 15.241 1.00 0.00 C ATOM 1135 CG PHE A 76 8.083 -10.623 15.168 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.700 -10.365 15.232 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.533 -11.951 15.034 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.776 -11.424 15.169 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.610 -13.011 14.968 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.231 -12.748 15.039 1.00 0.00 C ATOM 0 H PHE A 76 7.454 -8.165 14.045 1.00 0.00 H new ATOM 0 HA PHE A 76 10.273 -8.141 13.988 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.011 -9.862 15.680 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.701 -8.722 15.919 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.347 -9.349 15.330 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.592 -12.157 14.982 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.717 -11.220 15.221 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.961 -14.027 14.863 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.522 -13.562 14.994 1.00 0.00 H new ATOM 1150 N HIS A 77 9.052 -10.072 11.820 1.00 0.00 N ATOM 1151 CA HIS A 77 9.149 -11.103 10.774 1.00 0.00 C ATOM 1152 C HIS A 77 10.438 -11.083 9.926 1.00 0.00 C ATOM 1153 O HIS A 77 10.595 -11.925 9.041 1.00 0.00 O ATOM 1154 CB HIS A 77 7.902 -10.965 9.882 1.00 0.00 C ATOM 1155 CG HIS A 77 6.615 -11.227 10.626 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.234 -12.429 11.196 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.643 -10.303 10.890 1.00 0.00 C ATOM 1158 CE1 HIS A 77 5.047 -12.233 11.806 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.672 -10.947 11.637 1.00 0.00 N ATOM 0 H HIS A 77 8.260 -9.451 11.655 1.00 0.00 H new ATOM 0 HA HIS A 77 9.198 -12.069 11.277 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.873 -9.961 9.459 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.981 -11.660 9.046 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.634 -9.270 10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.487 -12.984 12.343 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.818 -10.522 11.998 1.00 0.00 H new ATOM 1168 N CYS A 78 11.352 -10.141 10.180 1.00 0.00 N ATOM 1169 CA CYS A 78 12.603 -9.924 9.437 1.00 0.00 C ATOM 1170 C CYS A 78 12.398 -9.860 7.904 1.00 0.00 C ATOM 1171 O CYS A 78 13.053 -10.561 7.125 1.00 0.00 O ATOM 1172 CB CYS A 78 13.656 -10.954 9.878 1.00 0.00 C ATOM 1173 SG CYS A 78 15.373 -10.476 9.529 1.00 0.00 S ATOM 0 H CYS A 78 11.237 -9.476 10.945 1.00 0.00 H new ATOM 0 HA CYS A 78 12.983 -8.934 9.690 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.551 -11.126 10.949 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.448 -11.902 9.381 1.00 0.00 H new ATOM 1178 N LYS A 79 11.457 -9.008 7.472 1.00 0.00 N ATOM 1179 CA LYS A 79 11.228 -8.649 6.060 1.00 0.00 C ATOM 1180 C LYS A 79 12.463 -7.998 5.409 1.00 0.00 C ATOM 1181 O LYS A 79 13.383 -7.554 6.094 1.00 0.00 O ATOM 1182 CB LYS A 79 9.957 -7.781 5.914 1.00 0.00 C ATOM 1183 CG LYS A 79 9.737 -6.692 6.978 1.00 0.00 C ATOM 1184 CD LYS A 79 10.987 -5.846 7.283 1.00 0.00 C ATOM 1185 CE LYS A 79 10.728 -4.487 7.927 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.738 -4.526 9.040 1.00 0.00 N ATOM 0 H LYS A 79 10.816 -8.536 8.110 1.00 0.00 H new ATOM 0 HA LYS A 79 11.059 -9.575 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.984 -7.300 4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.091 -8.443 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.937 -6.031 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.398 -7.164 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.640 -6.420 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.532 -5.688 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.670 -4.090 8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.374 -3.795 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.651 -3.579 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.813 -4.827 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.057 -5.199 9.765 1.00 0.00 H new ATOM 1200 N ASP A 80 12.446 -7.878 4.083 1.00 0.00 N ATOM 1201 CA ASP A 80 13.504 -7.236 3.282 1.00 0.00 C ATOM 1202 C ASP A 80 13.448 -5.700 3.350 1.00 0.00 C ATOM 1203 O ASP A 80 14.480 -5.032 3.263 1.00 0.00 O ATOM 1204 CB ASP A 80 13.394 -7.688 1.819 1.00 0.00 C ATOM 1205 CG ASP A 80 13.686 -9.187 1.654 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.879 -9.573 1.631 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.723 -9.983 1.535 1.00 0.00 O ATOM 0 H ASP A 80 11.677 -8.232 3.514 1.00 0.00 H new ATOM 0 HA ASP A 80 14.459 -7.547 3.705 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.393 -7.471 1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.092 -7.114 1.209 1.00 0.00 H new ATOM 1212 N LYS A 81 12.246 -5.142 3.530 1.00 0.00 N ATOM 1213 CA LYS A 81 11.970 -3.735 3.852 1.00 0.00 C ATOM 1214 C LYS A 81 10.535 -3.550 4.357 1.00 0.00 C ATOM 1215 O LYS A 81 9.712 -4.458 4.235 1.00 0.00 O ATOM 1216 CB LYS A 81 12.242 -2.827 2.629 1.00 0.00 C ATOM 1217 CG LYS A 81 11.481 -3.242 1.364 1.00 0.00 C ATOM 1218 CD LYS A 81 11.557 -2.149 0.283 1.00 0.00 C ATOM 1219 CE LYS A 81 10.475 -2.283 -0.796 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.643 -3.506 -1.624 1.00 0.00 N ATOM 0 H LYS A 81 11.390 -5.690 3.451 1.00 0.00 H new ATOM 0 HA LYS A 81 12.646 -3.440 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.972 -1.802 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.311 -2.832 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.897 -4.171 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.438 -3.439 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.467 -1.172 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.538 -2.184 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.494 -2.302 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.500 -1.405 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.887 -3.549 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.567 -3.479 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.592 -4.347 -1.015 1.00 0.00 H new ATOM 1234 N ASN A 82 10.221 -2.370 4.888 1.00 0.00 N ATOM 1235 CA ASN A 82 8.846 -1.865 5.017 1.00 0.00 C ATOM 1236 C ASN A 82 8.810 -0.342 4.790 1.00 0.00 C ATOM 1237 O ASN A 82 9.843 0.324 4.904 1.00 0.00 O ATOM 1238 CB ASN A 82 8.281 -2.273 6.393 1.00 0.00 C ATOM 1239 CG ASN A 82 6.785 -2.035 6.550 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.014 -2.080 5.604 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.332 -1.802 7.757 1.00 0.00 N ATOM 0 H ASN A 82 10.923 -1.723 5.248 1.00 0.00 H new ATOM 0 HA ASN A 82 8.210 -2.309 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.489 -3.330 6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.809 -1.718 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.334 -1.658 7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.978 -1.765 8.546 1.00 0.00 H new ATOM 1248 N THR A 83 7.625 0.204 4.506 1.00 0.00 N ATOM 1249 CA THR A 83 7.398 1.626 4.204 1.00 0.00 C ATOM 1250 C THR A 83 6.357 2.209 5.157 1.00 0.00 C ATOM 1251 O THR A 83 5.150 2.126 4.908 1.00 0.00 O ATOM 1252 CB THR A 83 6.982 1.824 2.737 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.944 1.276 1.862 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.842 3.309 2.411 1.00 0.00 C ATOM 0 H THR A 83 6.767 -0.347 4.478 1.00 0.00 H new ATOM 0 HA THR A 83 8.336 2.162 4.351 1.00 0.00 H new ATOM 0 HB THR A 83 6.026 1.318 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.799 1.740 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.547 3.426 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.083 3.753 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.796 3.809 2.577 1.00 0.00 H new ATOM 1262 N PHE A 84 6.826 2.778 6.268 1.00 0.00 N ATOM 1263 CA PHE A 84 5.989 3.427 7.277 1.00 0.00 C ATOM 1264 C PHE A 84 5.568 4.833 6.830 1.00 0.00 C ATOM 1265 O PHE A 84 6.409 5.699 6.578 1.00 0.00 O ATOM 1266 CB PHE A 84 6.683 3.482 8.642 1.00 0.00 C ATOM 1267 CG PHE A 84 7.021 2.136 9.248 1.00 0.00 C ATOM 1268 CD1 PHE A 84 5.996 1.292 9.718 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.368 1.743 9.370 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.319 0.066 10.328 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.683 0.487 9.921 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.663 -0.339 10.428 1.00 0.00 C ATOM 0 H PHE A 84 7.820 2.801 6.496 1.00 0.00 H new ATOM 0 HA PHE A 84 5.091 2.819 7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.603 4.058 8.541 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.041 4.024 9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.962 1.586 9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.157 2.404 9.042 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.535 -0.565 10.720 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.711 0.156 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.911 -1.282 10.893 1.00 0.00 H new ATOM 1282 N ILE A 85 4.260 5.069 6.748 1.00 0.00 N ATOM 1283 CA ILE A 85 3.661 6.387 6.506 1.00 0.00 C ATOM 1284 C ILE A 85 3.319 7.008 7.866 1.00 0.00 C ATOM 1285 O ILE A 85 2.489 6.470 8.600 1.00 0.00 O ATOM 1286 CB ILE A 85 2.411 6.232 5.610 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.796 5.688 4.214 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.633 7.551 5.459 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.580 5.209 3.416 1.00 0.00 C ATOM 0 H ILE A 85 3.565 4.330 6.851 1.00 0.00 H new ATOM 0 HA ILE A 85 4.353 7.046 5.982 1.00 0.00 H new ATOM 0 HB ILE A 85 1.758 5.515 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.311 6.468 3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.498 4.863 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.764 7.390 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.304 7.894 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.279 8.305 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.906 4.837 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.079 4.409 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.888 6.039 3.273 1.00 0.00 H new ATOM 1301 N TYR A 86 3.952 8.125 8.226 1.00 0.00 N ATOM 1302 CA TYR A 86 3.528 8.947 9.360 1.00 0.00 C ATOM 1303 C TYR A 86 2.456 9.955 8.903 1.00 0.00 C ATOM 1304 O TYR A 86 2.769 11.060 8.450 1.00 0.00 O ATOM 1305 CB TYR A 86 4.756 9.585 10.025 1.00 0.00 C ATOM 1306 CG TYR A 86 4.522 10.513 11.210 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.305 10.525 11.925 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.555 11.393 11.590 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.111 11.447 12.969 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.370 12.304 12.648 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.138 12.341 13.336 1.00 0.00 C ATOM 1312 OH TYR A 86 3.934 13.228 14.348 1.00 0.00 O ATOM 0 H TYR A 86 4.773 8.485 7.740 1.00 0.00 H new ATOM 0 HA TYR A 86 3.054 8.336 10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.414 8.781 10.355 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.296 10.146 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.522 9.826 11.670 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.498 11.369 11.065 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.168 11.471 13.494 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.169 12.973 12.932 1.00 0.00 H new ATOM 0 HH TYR A 86 4.740 13.770 14.475 1.00 0.00 H new ATOM 1322 N SER A 87 1.182 9.556 8.997 1.00 0.00 N ATOM 1323 CA SER A 87 0.006 10.406 8.740 1.00 0.00 C ATOM 1324 C SER A 87 -1.182 10.061 9.657 1.00 0.00 C ATOM 1325 O SER A 87 -1.185 9.043 10.355 1.00 0.00 O ATOM 1326 CB SER A 87 -0.413 10.310 7.260 1.00 0.00 C ATOM 1327 OG SER A 87 -1.026 9.068 6.963 1.00 0.00 O ATOM 0 H SER A 87 0.930 8.604 9.262 1.00 0.00 H new ATOM 0 HA SER A 87 0.297 11.432 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.103 11.121 7.025 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.463 10.443 6.625 1.00 0.00 H new ATOM 0 HG SER A 87 -1.965 9.092 7.241 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.227 10.898 9.634 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.562 10.578 10.173 1.00 0.00 C ATOM 1335 C ARG A 88 -4.327 9.681 9.183 1.00 0.00 C ATOM 1336 O ARG A 88 -3.947 9.639 8.011 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.305 11.895 10.472 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.537 12.736 11.508 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.392 13.857 12.104 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.362 13.338 13.091 1.00 0.00 N ATOM 1341 CZ ARG A 88 -6.285 14.022 13.744 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.463 15.299 13.556 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.049 13.430 14.618 1.00 0.00 N ATOM 0 H ARG A 88 -2.171 11.835 9.234 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.478 10.019 11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.426 12.466 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.306 11.676 10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.185 12.086 12.310 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.654 13.168 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.745 14.593 12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.926 14.372 11.305 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.313 12.339 13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.880 15.802 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.185 15.795 14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.936 12.433 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.760 13.964 15.119 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.413 8.995 9.589 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.204 8.170 8.670 1.00 0.00 C ATOM 1359 C PRO A 89 -7.059 8.980 7.681 1.00 0.00 C ATOM 1360 O PRO A 89 -7.379 8.485 6.601 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.077 7.293 9.574 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.231 8.118 10.849 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.880 8.820 10.960 1.00 0.00 C ATOM 0 HA PRO A 89 -5.545 7.589 8.025 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.043 7.083 9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.604 6.332 9.775 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.052 8.830 10.773 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.433 7.489 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.978 9.780 11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.176 8.224 11.541 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.420 10.226 8.007 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.277 11.085 7.172 1.00 0.00 C ATOM 1373 C GLU A 90 -7.688 11.359 5.770 1.00 0.00 C ATOM 1374 O GLU A 90 -8.352 11.021 4.787 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.640 12.387 7.910 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.599 12.141 9.082 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.985 13.468 9.765 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.959 14.123 9.321 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.321 13.862 10.754 1.00 0.00 O ATOM 0 H GLU A 90 -7.122 10.676 8.872 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.198 10.529 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.730 12.858 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.098 13.085 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.497 11.638 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.130 11.477 9.808 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.451 11.888 5.624 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.840 12.151 4.313 1.00 0.00 C ATOM 1388 C PRO A 91 -5.463 10.895 3.513 1.00 0.00 C ATOM 1389 O PRO A 91 -4.981 11.020 2.390 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.595 12.994 4.603 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.199 12.583 6.016 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.545 12.322 6.682 1.00 0.00 C ATOM 0 HA PRO A 91 -6.568 12.656 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.798 12.789 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.811 14.061 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.568 11.694 6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.642 13.370 6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.455 11.558 7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.919 13.223 7.168 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.679 9.699 4.067 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.489 8.393 3.417 1.00 0.00 C ATOM 1402 C VAL A 92 -6.839 7.866 2.922 1.00 0.00 C ATOM 1403 O VAL A 92 -7.001 7.586 1.735 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.817 7.394 4.386 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.355 6.139 3.643 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.595 7.958 5.128 1.00 0.00 C ATOM 0 H VAL A 92 -6.007 9.607 5.028 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.827 8.511 2.559 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.590 7.169 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.885 5.452 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.214 5.653 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.636 6.416 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.184 7.193 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.837 8.259 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.896 8.823 5.720 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.839 7.768 3.806 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.177 7.251 3.474 1.00 0.00 C ATOM 1418 C LYS A 93 -9.939 8.153 2.497 1.00 0.00 C ATOM 1419 O LYS A 93 -10.522 7.667 1.532 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.008 7.006 4.751 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.908 5.764 4.589 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.262 5.811 5.315 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.187 5.723 6.843 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.949 7.030 7.508 1.00 0.00 N ATOM 0 H LYS A 93 -7.744 8.048 4.782 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.022 6.298 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.342 6.869 5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.623 7.881 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.094 5.611 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.358 4.893 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.769 6.737 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.881 4.991 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.118 5.299 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.388 5.035 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.961 6.902 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.024 7.405 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.696 7.700 7.234 1.00 0.00 H new ATOM 1438 N ALA A 94 -9.924 9.465 2.743 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.732 10.456 2.026 1.00 0.00 C ATOM 1440 C ALA A 94 -10.216 10.806 0.618 1.00 0.00 C ATOM 1441 O ALA A 94 -10.872 11.563 -0.103 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.833 11.716 2.886 1.00 0.00 C ATOM 0 H ALA A 94 -9.334 9.879 3.465 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.712 10.008 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.432 12.464 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.305 11.470 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.834 12.113 3.068 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.065 10.255 0.203 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.566 10.360 -1.180 1.00 0.00 C ATOM 1450 C ILE A 95 -9.634 9.867 -2.179 1.00 0.00 C ATOM 1451 O ILE A 95 -9.804 10.456 -3.250 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.233 9.594 -1.369 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.162 10.002 -0.334 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.669 9.850 -2.778 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -4.934 9.080 -0.315 1.00 0.00 C ATOM 0 H ILE A 95 -8.451 9.722 0.818 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.364 11.412 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.461 8.537 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.836 11.021 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.614 10.010 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.732 9.306 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.386 9.508 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.489 10.917 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.227 9.431 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.246 8.064 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.456 9.090 -1.295 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.406 8.840 -1.796 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.573 8.355 -2.531 1.00 0.00 C ATOM 1469 C CYS A 96 -12.907 8.667 -1.825 1.00 0.00 C ATOM 1470 O CYS A 96 -12.963 8.867 -0.608 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.420 6.851 -2.774 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.174 5.797 -1.323 1.00 0.00 S ATOM 0 H CYS A 96 -10.227 8.312 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.612 8.886 -3.482 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.310 6.502 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.575 6.702 -3.446 1.00 0.00 H new ATOM 1477 N LYS A 97 -13.998 8.672 -2.606 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.384 8.884 -2.154 1.00 0.00 C ATOM 1479 C LYS A 97 -16.376 8.253 -3.142 1.00 0.00 C ATOM 1480 O LYS A 97 -16.510 8.719 -4.273 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.631 10.399 -1.973 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.927 10.748 -1.221 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.878 10.346 0.266 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.097 10.844 1.057 1.00 0.00 C ATOM 1485 NZ LYS A 97 -18.071 12.316 1.276 1.00 0.00 N ATOM 0 H LYS A 97 -13.937 8.522 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.540 8.393 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.786 10.830 -1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.658 10.870 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.109 11.820 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.767 10.247 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.820 9.260 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.970 10.747 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.008 10.575 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.132 10.337 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.896 12.597 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.200 12.577 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.099 12.804 0.358 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.017 7.151 -2.745 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.983 6.402 -3.571 1.00 0.00 C ATOM 1501 C GLY A 98 -17.361 5.354 -4.507 1.00 0.00 C ATOM 1502 O GLY A 98 -18.085 4.694 -5.252 1.00 0.00 O ATOM 0 H GLY A 98 -16.880 6.741 -1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.692 5.903 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.552 7.112 -4.172 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.034 5.183 -4.481 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.285 4.265 -5.355 1.00 0.00 C ATOM 1508 C ILE A 99 -15.464 2.804 -4.914 1.00 0.00 C ATOM 1509 O ILE A 99 -15.095 2.420 -3.803 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.795 4.680 -5.443 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.696 6.091 -6.078 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.988 3.651 -6.257 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.273 6.622 -6.297 1.00 0.00 C ATOM 0 H ILE A 99 -15.432 5.693 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.696 4.338 -6.362 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.369 4.709 -4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.210 6.074 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.233 6.794 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.945 3.963 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.053 2.675 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.395 3.586 -7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.320 7.614 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.755 6.680 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.732 5.949 -6.962 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.009 1.982 -5.815 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.156 0.515 -5.696 1.00 0.00 C ATOM 1527 C ILE A 100 -15.230 -0.219 -6.699 1.00 0.00 C ATOM 1528 O ILE A 100 -14.972 -1.415 -6.576 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.651 0.108 -5.862 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.608 1.090 -5.137 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.894 -1.308 -5.311 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.097 0.722 -5.154 1.00 0.00 C ATOM 0 H ILE A 100 -16.382 2.333 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.842 0.208 -4.698 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.863 0.138 -6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.288 1.176 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.494 2.076 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.944 -1.572 -5.437 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.273 -2.021 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.637 -1.335 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.666 1.481 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.447 0.668 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.238 -0.245 -4.672 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.668 0.511 -7.669 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.956 0.021 -8.856 1.00 0.00 C ATOM 1546 C ALA A 101 -12.545 -0.575 -8.618 1.00 0.00 C ATOM 1547 O ALA A 101 -11.871 -0.935 -9.586 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.893 1.191 -9.852 1.00 0.00 C ATOM 0 H ALA A 101 -14.701 1.530 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.517 -0.833 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.370 0.873 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.905 1.504 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.359 2.026 -9.399 1.00 0.00 H new ATOM 1554 N SER A 102 -12.083 -0.683 -7.365 1.00 0.00 N ATOM 1555 CA SER A 102 -10.716 -1.089 -6.989 1.00 0.00 C ATOM 1556 C SER A 102 -9.630 -0.228 -7.676 1.00 0.00 C ATOM 1557 O SER A 102 -8.851 -0.705 -8.509 1.00 0.00 O ATOM 1558 CB SER A 102 -10.532 -2.599 -7.201 1.00 0.00 C ATOM 1559 OG SER A 102 -9.469 -3.093 -6.408 1.00 0.00 O ATOM 0 H SER A 102 -12.669 -0.484 -6.554 1.00 0.00 H new ATOM 0 HA SER A 102 -10.582 -0.897 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.454 -3.121 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.331 -2.801 -8.253 1.00 0.00 H new ATOM 0 HG SER A 102 -9.832 -3.624 -5.669 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.595 1.076 -7.350 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.661 2.095 -7.883 1.00 0.00 C ATOM 1567 C LYS A 103 -8.570 3.290 -6.929 1.00 0.00 C ATOM 1568 O LYS A 103 -9.523 3.573 -6.216 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.151 2.530 -9.281 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.289 3.636 -9.920 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.556 3.845 -11.418 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.913 2.739 -12.265 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.055 3.011 -13.720 1.00 0.00 N ATOM 0 H LYS A 103 -10.248 1.472 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.660 1.673 -7.970 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.160 1.662 -9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.180 2.882 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.470 4.574 -9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.237 3.390 -9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.631 3.863 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.165 4.814 -11.726 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.856 2.654 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.376 1.782 -12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.609 2.243 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.064 3.068 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.591 3.913 -13.951 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.454 4.010 -6.894 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.359 5.348 -6.296 1.00 0.00 C ATOM 1589 C ASN A 104 -6.543 6.295 -7.198 1.00 0.00 C ATOM 1590 O ASN A 104 -6.209 5.956 -8.336 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.758 5.224 -4.879 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.398 6.145 -3.852 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.939 7.188 -4.174 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.344 5.787 -2.588 1.00 0.00 N ATOM 0 H ASN A 104 -6.572 3.680 -7.286 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.353 5.787 -6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.861 4.193 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.690 5.438 -4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.756 6.384 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.890 4.913 -2.325 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.194 7.470 -6.678 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.218 8.398 -7.259 1.00 0.00 C ATOM 1603 C VAL A 105 -4.110 8.669 -6.236 1.00 0.00 C ATOM 1604 O VAL A 105 -4.342 8.610 -5.027 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.939 9.677 -7.744 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -6.568 10.499 -6.610 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.029 10.585 -8.577 1.00 0.00 C ATOM 0 H VAL A 105 -6.597 7.818 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.740 7.963 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.746 9.304 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.055 11.380 -7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.305 9.891 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.791 10.810 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.585 11.468 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.172 10.891 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.681 10.043 -9.456 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.896 8.960 -6.708 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.812 9.504 -5.889 1.00 0.00 C ATOM 1619 C LEU A 106 -2.281 10.736 -5.087 1.00 0.00 C ATOM 1620 O LEU A 106 -2.996 11.598 -5.607 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.621 9.845 -6.817 1.00 0.00 C ATOM 1622 CG LEU A 106 0.658 10.342 -6.115 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.342 9.211 -5.360 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.632 10.921 -7.137 1.00 0.00 C ATOM 0 H LEU A 106 -2.635 8.822 -7.684 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.496 8.762 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.372 8.957 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.944 10.608 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 106 0.367 11.116 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.241 9.589 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.662 8.814 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.613 8.419 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.531 11.268 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.900 10.151 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.162 11.758 -7.654 1.00 0.00 H new ATOM 1636 N THR A 107 -1.856 10.828 -3.824 1.00 0.00 N ATOM 1637 CA THR A 107 -2.086 12.004 -2.956 1.00 0.00 C ATOM 1638 C THR A 107 -1.408 13.270 -3.520 1.00 0.00 C ATOM 1639 O THR A 107 -0.677 13.209 -4.507 1.00 0.00 O ATOM 1640 CB THR A 107 -1.607 11.754 -1.512 1.00 0.00 C ATOM 1641 OG1 THR A 107 -1.629 10.394 -1.131 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.554 12.393 -0.498 1.00 0.00 C ATOM 0 H THR A 107 -1.335 10.082 -3.362 1.00 0.00 H new ATOM 0 HA THR A 107 -3.164 12.166 -2.937 1.00 0.00 H new ATOM 0 HB THR A 107 -0.596 12.162 -1.509 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.967 9.897 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.190 12.200 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.598 13.469 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.551 11.967 -0.612 1.00 0.00 H new ATOM 1650 N THR A 108 -1.599 14.429 -2.880 1.00 0.00 N ATOM 1651 CA THR A 108 -0.988 15.716 -3.289 1.00 0.00 C ATOM 1652 C THR A 108 -0.041 16.319 -2.238 1.00 0.00 C ATOM 1653 O THR A 108 0.921 17.004 -2.597 1.00 0.00 O ATOM 1654 CB THR A 108 -2.085 16.710 -3.723 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.526 17.848 -4.346 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.971 17.205 -2.577 1.00 0.00 C ATOM 0 H THR A 108 -2.189 14.509 -2.052 1.00 0.00 H new ATOM 0 HA THR A 108 -0.347 15.504 -4.145 1.00 0.00 H new ATOM 0 HB THR A 108 -2.705 16.141 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.243 18.461 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.716 17.899 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.474 16.356 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.355 17.712 -1.834 1.00 0.00 H new ATOM 1664 N SER A 109 -0.252 16.014 -0.954 1.00 0.00 N ATOM 1665 CA SER A 109 0.481 16.586 0.192 1.00 0.00 C ATOM 1666 C SER A 109 1.754 15.799 0.522 1.00 0.00 C ATOM 1667 O SER A 109 1.970 14.705 0.007 1.00 0.00 O ATOM 1668 CB SER A 109 -0.434 16.632 1.424 1.00 0.00 C ATOM 1669 OG SER A 109 -1.593 17.408 1.153 1.00 0.00 O ATOM 0 H SER A 109 -0.961 15.339 -0.668 1.00 0.00 H new ATOM 0 HA SER A 109 0.784 17.595 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.724 15.620 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.106 17.057 2.270 1.00 0.00 H new ATOM 0 HG SER A 109 -2.167 17.427 1.947 1.00 0.00 H new ATOM 1675 N GLU A 110 2.615 16.333 1.390 1.00 0.00 N ATOM 1676 CA GLU A 110 3.924 15.744 1.709 1.00 0.00 C ATOM 1677 C GLU A 110 3.992 15.269 3.170 1.00 0.00 C ATOM 1678 O GLU A 110 4.103 16.067 4.103 1.00 0.00 O ATOM 1679 CB GLU A 110 5.064 16.705 1.337 1.00 0.00 C ATOM 1680 CG GLU A 110 4.939 17.230 -0.102 1.00 0.00 C ATOM 1681 CD GLU A 110 6.219 17.941 -0.583 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.664 18.919 0.067 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.766 17.547 -1.641 1.00 0.00 O ATOM 0 H GLU A 110 2.424 17.196 1.899 1.00 0.00 H new ATOM 0 HA GLU A 110 4.054 14.851 1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.067 17.547 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.020 16.194 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.716 16.399 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.099 17.922 -0.162 1.00 0.00 H new ATOM 1690 N PHE A 111 3.888 13.952 3.359 1.00 0.00 N ATOM 1691 CA PHE A 111 3.853 13.262 4.656 1.00 0.00 C ATOM 1692 C PHE A 111 5.237 12.699 5.000 1.00 0.00 C ATOM 1693 O PHE A 111 6.051 12.464 4.103 1.00 0.00 O ATOM 1694 CB PHE A 111 2.823 12.119 4.602 1.00 0.00 C ATOM 1695 CG PHE A 111 1.508 12.481 3.935 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.386 12.344 2.541 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.415 12.957 4.685 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.193 12.688 1.892 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.787 13.296 4.035 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.897 13.161 2.638 1.00 0.00 C ATOM 0 H PHE A 111 3.822 13.303 2.575 1.00 0.00 H new ATOM 0 HA PHE A 111 3.566 13.975 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.264 11.276 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.619 11.784 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.220 11.970 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.499 13.062 5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.113 12.589 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.626 13.660 4.609 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.820 13.421 2.141 1.00 0.00 H new ATOM 1710 N TYR A 112 5.509 12.440 6.282 1.00 0.00 N ATOM 1711 CA TYR A 112 6.773 11.838 6.715 1.00 0.00 C ATOM 1712 C TYR A 112 6.840 10.363 6.293 1.00 0.00 C ATOM 1713 O TYR A 112 6.148 9.507 6.851 1.00 0.00 O ATOM 1714 CB TYR A 112 6.982 12.029 8.226 1.00 0.00 C ATOM 1715 CG TYR A 112 8.029 13.072 8.561 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.739 14.441 8.405 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.302 12.667 9.008 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.719 15.409 8.700 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.284 13.631 9.308 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.996 15.005 9.155 1.00 0.00 C ATOM 1721 OH TYR A 112 10.951 15.931 9.448 1.00 0.00 O ATOM 0 H TYR A 112 4.863 12.640 7.045 1.00 0.00 H new ATOM 0 HA TYR A 112 7.596 12.351 6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.035 12.316 8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.274 11.077 8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.764 14.749 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.525 11.616 9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.496 16.459 8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.258 13.319 9.655 1.00 0.00 H new ATOM 0 HH TYR A 112 11.766 15.477 9.747 1.00 0.00 H new ATOM 1731 N LEU A 113 7.659 10.073 5.281 1.00 0.00 N ATOM 1732 CA LEU A 113 7.894 8.719 4.774 1.00 0.00 C ATOM 1733 C LEU A 113 9.147 8.090 5.398 1.00 0.00 C ATOM 1734 O LEU A 113 10.253 8.629 5.313 1.00 0.00 O ATOM 1735 CB LEU A 113 7.943 8.727 3.234 1.00 0.00 C ATOM 1736 CG LEU A 113 6.673 8.172 2.563 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.477 6.680 2.820 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.401 8.926 2.949 1.00 0.00 C ATOM 0 H LEU A 113 8.188 10.787 4.780 1.00 0.00 H new ATOM 0 HA LEU A 113 7.058 8.087 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.105 9.749 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.801 8.141 2.905 1.00 0.00 H new ATOM 0 HG LEU A 113 6.842 8.326 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.567 6.342 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.331 6.128 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.393 6.503 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.546 8.481 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.254 8.864 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.495 9.972 2.656 1.00 0.00 H new ATOM 1750 N SER A 114 8.958 6.931 6.026 1.00 0.00 N ATOM 1751 CA SER A 114 9.964 6.196 6.789 1.00 0.00 C ATOM 1752 C SER A 114 10.134 4.777 6.244 1.00 0.00 C ATOM 1753 O SER A 114 9.469 3.828 6.660 1.00 0.00 O ATOM 1754 CB SER A 114 9.600 6.236 8.274 1.00 0.00 C ATOM 1755 OG SER A 114 10.530 5.497 9.052 1.00 0.00 O ATOM 0 H SER A 114 8.055 6.456 6.016 1.00 0.00 H new ATOM 0 HA SER A 114 10.938 6.672 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.576 7.270 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.599 5.829 8.417 1.00 0.00 H new ATOM 0 HG SER A 114 10.052 5.003 9.751 1.00 0.00 H new ATOM 1761 N ASP A 115 11.028 4.633 5.268 1.00 0.00 N ATOM 1762 CA ASP A 115 11.499 3.328 4.802 1.00 0.00 C ATOM 1763 C ASP A 115 12.599 2.758 5.720 1.00 0.00 C ATOM 1764 O ASP A 115 13.255 3.480 6.472 1.00 0.00 O ATOM 1765 CB ASP A 115 12.024 3.465 3.367 1.00 0.00 C ATOM 1766 CG ASP A 115 10.894 3.746 2.368 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.147 2.795 2.041 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.771 4.903 1.900 1.00 0.00 O ATOM 0 H ASP A 115 11.449 5.421 4.775 1.00 0.00 H new ATOM 0 HA ASP A 115 10.662 2.630 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.756 4.272 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.542 2.549 3.081 1.00 0.00 H new ATOM 1773 N CYS A 116 12.850 1.456 5.617 1.00 0.00 N ATOM 1774 CA CYS A 116 14.060 0.791 6.103 1.00 0.00 C ATOM 1775 C CYS A 116 14.303 -0.449 5.243 1.00 0.00 C ATOM 1776 O CYS A 116 13.384 -1.243 5.058 1.00 0.00 O ATOM 1777 CB CYS A 116 13.910 0.427 7.587 1.00 0.00 C ATOM 1778 SG CYS A 116 14.876 1.512 8.673 1.00 0.00 S ATOM 0 H CYS A 116 12.194 0.810 5.177 1.00 0.00 H new ATOM 0 HA CYS A 116 14.919 1.457 6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.858 0.483 7.866 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.225 -0.605 7.738 1.00 0.00 H new ATOM 1783 N ASN A 117 15.510 -0.599 4.693 1.00 0.00 N ATOM 1784 CA ASN A 117 15.868 -1.649 3.732 1.00 0.00 C ATOM 1785 C ASN A 117 17.001 -2.511 4.296 1.00 0.00 C ATOM 1786 O ASN A 117 17.935 -1.973 4.888 1.00 0.00 O ATOM 1787 CB ASN A 117 16.275 -0.994 2.397 1.00 0.00 C ATOM 1788 CG ASN A 117 15.104 -0.498 1.568 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.711 -1.112 0.589 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.523 0.632 1.900 1.00 0.00 N ATOM 0 H ASN A 117 16.289 0.024 4.909 1.00 0.00 H new ATOM 0 HA ASN A 117 15.012 -2.300 3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.941 -0.156 2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.843 -1.715 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.749 0.991 1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.846 1.151 2.717 1.00 0.00 H new ATOM 1797 N VAL A 118 16.928 -3.835 4.142 1.00 0.00 N ATOM 1798 CA VAL A 118 17.939 -4.768 4.689 1.00 0.00 C ATOM 1799 C VAL A 118 19.339 -4.525 4.100 1.00 0.00 C ATOM 1800 O VAL A 118 19.492 -4.144 2.936 1.00 0.00 O ATOM 1801 CB VAL A 118 17.478 -6.231 4.501 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.577 -7.296 4.628 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.430 -6.578 5.559 1.00 0.00 C ATOM 0 H VAL A 118 16.172 -4.298 3.638 1.00 0.00 H new ATOM 0 HA VAL A 118 18.026 -4.574 5.758 1.00 0.00 H new ATOM 0 HB VAL A 118 17.103 -6.261 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.144 -8.285 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.345 -7.118 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 118 19.023 -7.242 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.106 -7.610 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.863 -6.459 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.573 -5.912 5.455 1.00 0.00 H new ATOM 1813 N THR A 119 20.378 -4.781 4.903 1.00 0.00 N ATOM 1814 CA THR A 119 21.793 -4.769 4.488 1.00 0.00 C ATOM 1815 C THR A 119 22.553 -5.964 5.087 1.00 0.00 C ATOM 1816 O THR A 119 22.993 -5.954 6.238 1.00 0.00 O ATOM 1817 CB THR A 119 22.459 -3.401 4.737 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.823 -3.417 4.369 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.356 -2.867 6.165 1.00 0.00 C ATOM 0 H THR A 119 20.258 -5.010 5.890 1.00 0.00 H new ATOM 0 HA THR A 119 21.836 -4.901 3.407 1.00 0.00 H new ATOM 0 HB THR A 119 21.884 -2.724 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.217 -2.536 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.857 -1.901 6.229 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.306 -2.750 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.831 -3.568 6.851 1.00 0.00 H new ATOM 1827 N SER A 120 22.634 -7.042 4.298 1.00 0.00 N ATOM 1828 CA SER A 120 23.330 -8.306 4.617 1.00 0.00 C ATOM 1829 C SER A 120 24.852 -8.124 4.745 1.00 0.00 C ATOM 1830 O SER A 120 25.481 -7.608 3.790 1.00 0.00 O ATOM 1831 CB SER A 120 22.989 -9.357 3.557 1.00 0.00 C ATOM 1832 OG SER A 120 23.417 -10.633 4.007 1.00 0.00 O ATOM 1833 OXT SER A 120 25.417 -8.483 5.805 1.00 0.00 O ATOM 0 H SER A 120 22.198 -7.063 3.376 1.00 0.00 H new ATOM 0 HA SER A 120 22.980 -8.646 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.915 -9.366 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.475 -9.110 2.613 1.00 0.00 H new ATOM 0 HG SER A 120 23.199 -11.308 3.331 1.00 0.00 H new