USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 598 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 29 SER OG : rot -74:sc= 0.416 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -5.02! C(o=-4.6!,f=-2.8!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= -0.263 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -133:sc= 0.721 (180deg=0.0336) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= 0.198 (180deg=-1.59!) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= -0.218 (180deg=-0.719) USER MOD Single : A 14 HIS : no HE2:sc= 0.13 K(o=0.13,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.438) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -124:sc=-0.00669 (180deg=-0.134) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.85! C(o=-4.9!,f=-5.1!) USER MOD Single : A 35 THR OG1 : rot -83:sc= 0.691 USER MOD Single : A 40 ASN : amide:sc= -0.794 K(o=-0.79,f=-0.21) USER MOD Single : A 41 THR OG1 : rot 107:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0027) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.962 K(o=-0.96,f=-3.6!) USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= 0.817 (180deg=-4.64!) USER MOD Single : A 64 THR OG1 : rot 84:sc= 1.02 USER MOD Single : A 65 SER OG : rot 158:sc= 0.501 USER MOD Single : A 66 LYS NZ :NH3+ 139:sc= 0.0419! (180deg=-0.308!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.264) USER MOD Single : A 73 TYR OH : rot 60:sc= -2.91! USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= -0.697 (180deg=-3.1!) USER MOD Single : A 81 LYS NZ :NH3+ -108:sc= -1.89! (180deg=-4.34!) USER MOD Single : A 82 LYS NZ :NH3+ 140:sc= 0 (180deg=-0.218) USER MOD Single : A 83 LYS NZ :NH3+ -125:sc= -1.36 (180deg=-3.75!) USER MOD Single : A 84 TYR OH : rot 161:sc= 1.68 USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 5.200 1.394 -0.628 1.00 0.55 N ATOM 42 CA GLU A 4 6.168 0.419 -0.089 1.00 0.62 C ATOM 43 C GLU A 4 7.355 0.319 -0.997 1.00 0.39 C ATOM 44 O GLU A 4 8.465 0.048 -0.589 1.00 0.39 O ATOM 45 CB GLU A 4 5.428 -0.919 0.081 1.00 0.97 C ATOM 46 CG GLU A 4 4.438 -0.906 1.316 1.00 0.95 C ATOM 47 CD GLU A 4 5.199 -0.668 2.622 1.00 2.50 C ATOM 48 OE1 GLU A 4 5.477 0.491 2.874 1.00 3.09 O ATOM 49 OE2 GLU A 4 5.496 -1.618 3.332 1.00 3.34 O ATOM 0 HA GLU A 4 6.556 0.730 0.881 1.00 0.62 H new ATOM 0 HB2 GLU A 4 4.868 -1.140 -0.828 1.00 0.97 H new ATOM 0 HB3 GLU A 4 6.156 -1.720 0.210 1.00 0.97 H new ATOM 0 HG2 GLU A 4 3.689 -0.126 1.179 1.00 0.95 H new ATOM 0 HG3 GLU A 4 3.904 -1.855 1.369 1.00 0.95 H new ATOM 56 N PHE A 5 7.062 0.577 -2.224 1.00 0.30 N ATOM 57 CA PHE A 5 8.096 0.533 -3.249 1.00 0.21 C ATOM 58 C PHE A 5 9.006 1.764 -3.045 1.00 0.23 C ATOM 59 O PHE A 5 10.203 1.655 -3.018 1.00 0.16 O ATOM 60 CB PHE A 5 7.296 0.511 -4.490 1.00 0.26 C ATOM 61 CG PHE A 5 8.248 0.853 -5.599 1.00 0.25 C ATOM 62 CD1 PHE A 5 8.550 2.165 -5.813 1.00 1.28 C ATOM 63 CD2 PHE A 5 8.829 -0.130 -6.349 1.00 1.15 C ATOM 64 CE1 PHE A 5 9.446 2.509 -6.783 1.00 1.31 C ATOM 65 CE2 PHE A 5 9.735 0.195 -7.331 1.00 1.13 C ATOM 66 CZ PHE A 5 10.043 1.526 -7.543 1.00 0.25 C ATOM 0 H PHE A 5 6.130 0.820 -2.560 1.00 0.30 H new ATOM 0 HA PHE A 5 8.785 -0.312 -3.244 1.00 0.21 H new ATOM 0 HB2 PHE A 5 6.848 -0.470 -4.649 1.00 0.26 H new ATOM 0 HB3 PHE A 5 6.479 1.231 -4.441 1.00 0.26 H new ATOM 0 HD1 PHE A 5 8.080 2.932 -5.215 1.00 1.28 H new ATOM 0 HD2 PHE A 5 8.576 -1.165 -6.170 1.00 1.15 H new ATOM 0 HE1 PHE A 5 9.687 3.548 -6.955 1.00 1.31 H new ATOM 0 HE2 PHE A 5 10.199 -0.577 -7.927 1.00 1.13 H new ATOM 0 HZ PHE A 5 10.755 1.797 -8.308 1.00 0.25 H new ATOM 76 N ASP A 6 8.412 2.907 -2.918 1.00 0.33 N ATOM 77 CA ASP A 6 9.114 4.199 -2.704 1.00 0.34 C ATOM 78 C ASP A 6 10.033 4.008 -1.492 1.00 0.33 C ATOM 79 O ASP A 6 11.222 4.267 -1.471 1.00 0.32 O ATOM 80 CB ASP A 6 7.947 5.174 -2.530 1.00 0.43 C ATOM 81 CG ASP A 6 7.008 5.097 -3.742 1.00 0.48 C ATOM 82 OD1 ASP A 6 6.279 4.117 -3.830 1.00 1.52 O ATOM 83 OD2 ASP A 6 7.077 6.021 -4.520 1.00 0.82 O ATOM 0 H ASP A 6 7.397 3.005 -2.957 1.00 0.33 H new ATOM 0 HA ASP A 6 9.772 4.569 -3.491 1.00 0.34 H new ATOM 0 HB2 ASP A 6 7.398 4.936 -1.619 1.00 0.43 H new ATOM 0 HB3 ASP A 6 8.326 6.190 -2.418 1.00 0.43 H new ATOM 88 N LYS A 7 9.369 3.525 -0.489 1.00 0.35 N ATOM 89 CA LYS A 7 10.029 3.224 0.813 1.00 0.36 C ATOM 90 C LYS A 7 11.253 2.375 0.433 1.00 0.30 C ATOM 91 O LYS A 7 12.373 2.743 0.707 1.00 0.24 O ATOM 92 CB LYS A 7 8.980 2.490 1.618 1.00 0.30 C ATOM 93 CG LYS A 7 9.546 1.658 2.792 1.00 0.63 C ATOM 94 CD LYS A 7 8.310 0.907 3.324 1.00 1.41 C ATOM 95 CE LYS A 7 8.594 -0.140 4.388 1.00 2.10 C ATOM 96 NZ LYS A 7 7.242 -0.609 4.823 1.00 3.85 N ATOM 0 H LYS A 7 8.370 3.319 -0.513 1.00 0.35 H new ATOM 0 HA LYS A 7 10.373 4.070 1.408 1.00 0.36 H new ATOM 0 HB2 LYS A 7 8.268 3.215 2.012 1.00 0.30 H new ATOM 0 HB3 LYS A 7 8.426 1.828 0.953 1.00 0.30 H new ATOM 0 HG2 LYS A 7 10.322 0.969 2.459 1.00 0.63 H new ATOM 0 HG3 LYS A 7 9.991 2.294 3.558 1.00 0.63 H new ATOM 0 HD2 LYS A 7 7.611 1.636 3.733 1.00 1.41 H new ATOM 0 HD3 LYS A 7 7.811 0.422 2.485 1.00 1.41 H new ATOM 0 HE2 LYS A 7 9.189 -0.961 3.988 1.00 2.10 H new ATOM 0 HE3 LYS A 7 9.154 0.283 5.222 1.00 2.10 H new ATOM 0 HZ1 LYS A 7 7.273 -0.873 5.828 1.00 3.85 H new ATOM 0 HZ2 LYS A 7 6.549 0.155 4.687 1.00 3.85 H new ATOM 0 HZ3 LYS A 7 6.962 -1.435 4.257 1.00 3.85 H new ATOM 110 N ALA A 8 10.997 1.261 -0.195 1.00 0.32 N ATOM 111 CA ALA A 8 12.096 0.357 -0.630 1.00 0.25 C ATOM 112 C ALA A 8 13.180 1.187 -1.371 1.00 0.22 C ATOM 113 O ALA A 8 14.336 1.170 -1.019 1.00 0.18 O ATOM 114 CB ALA A 8 11.444 -0.696 -1.510 1.00 0.23 C ATOM 0 H ALA A 8 10.059 0.935 -0.428 1.00 0.32 H new ATOM 0 HA ALA A 8 12.607 -0.131 0.200 1.00 0.25 H new ATOM 0 HB1 ALA A 8 12.202 -1.395 -1.864 1.00 0.23 H new ATOM 0 HB2 ALA A 8 10.693 -1.237 -0.935 1.00 0.23 H new ATOM 0 HB3 ALA A 8 10.969 -0.213 -2.364 1.00 0.23 H new ATOM 120 N ALA A 9 12.805 1.910 -2.390 1.00 0.24 N ATOM 121 CA ALA A 9 13.758 2.744 -3.158 1.00 0.23 C ATOM 122 C ALA A 9 14.608 3.624 -2.252 1.00 0.28 C ATOM 123 O ALA A 9 15.803 3.729 -2.436 1.00 0.65 O ATOM 124 CB ALA A 9 12.934 3.585 -4.121 1.00 0.24 C ATOM 0 H ALA A 9 11.844 1.955 -2.729 1.00 0.24 H new ATOM 0 HA ALA A 9 14.460 2.108 -3.696 1.00 0.23 H new ATOM 0 HB1 ALA A 9 13.597 4.218 -4.710 1.00 0.24 H new ATOM 0 HB2 ALA A 9 12.372 2.930 -4.786 1.00 0.24 H new ATOM 0 HB3 ALA A 9 12.242 4.210 -3.557 1.00 0.24 H new ATOM 130 N GLU A 10 14.005 4.208 -1.269 1.00 0.10 N ATOM 131 CA GLU A 10 14.832 5.085 -0.399 1.00 0.17 C ATOM 132 C GLU A 10 15.702 4.144 0.357 1.00 0.16 C ATOM 133 O GLU A 10 16.905 4.312 0.363 1.00 0.19 O ATOM 134 CB GLU A 10 13.827 5.909 0.409 1.00 0.34 C ATOM 135 CG GLU A 10 13.079 6.866 -0.616 1.00 1.28 C ATOM 136 CD GLU A 10 14.061 7.759 -1.453 1.00 2.72 C ATOM 137 OE1 GLU A 10 14.705 7.250 -2.371 1.00 3.78 O ATOM 138 OE2 GLU A 10 14.126 8.929 -1.117 1.00 2.94 O ATOM 0 H GLU A 10 13.017 4.127 -1.031 1.00 0.10 H new ATOM 0 HA GLU A 10 15.495 5.807 -0.875 1.00 0.17 H new ATOM 0 HB2 GLU A 10 13.116 5.258 0.918 1.00 0.34 H new ATOM 0 HB3 GLU A 10 14.335 6.490 1.179 1.00 0.34 H new ATOM 0 HG2 GLU A 10 12.478 6.262 -1.296 1.00 1.28 H new ATOM 0 HG3 GLU A 10 12.391 7.509 -0.068 1.00 1.28 H new ATOM 145 N GLU A 11 15.100 3.172 0.953 1.00 0.15 N ATOM 146 CA GLU A 11 15.835 2.157 1.725 1.00 0.21 C ATOM 147 C GLU A 11 17.098 1.688 0.978 1.00 0.24 C ATOM 148 O GLU A 11 18.212 1.853 1.435 1.00 0.30 O ATOM 149 CB GLU A 11 14.764 1.147 1.924 1.00 0.21 C ATOM 150 CG GLU A 11 14.046 1.495 3.222 1.00 0.43 C ATOM 151 CD GLU A 11 14.154 0.393 4.268 1.00 0.66 C ATOM 152 OE1 GLU A 11 15.142 -0.321 4.246 1.00 1.44 O ATOM 153 OE2 GLU A 11 13.232 0.317 5.067 1.00 0.41 O ATOM 0 H GLU A 11 14.089 3.035 0.936 1.00 0.15 H new ATOM 0 HA GLU A 11 16.269 2.476 2.673 1.00 0.21 H new ATOM 0 HB2 GLU A 11 14.067 1.156 1.086 1.00 0.21 H new ATOM 0 HB3 GLU A 11 15.187 0.144 1.976 1.00 0.21 H new ATOM 0 HG2 GLU A 11 14.463 2.417 3.627 1.00 0.43 H new ATOM 0 HG3 GLU A 11 12.994 1.687 3.010 1.00 0.43 H new ATOM 160 N VAL A 12 16.901 1.119 -0.180 1.00 0.20 N ATOM 161 CA VAL A 12 17.990 0.620 -1.035 1.00 0.23 C ATOM 162 C VAL A 12 18.990 1.755 -1.260 1.00 0.25 C ATOM 163 O VAL A 12 20.180 1.538 -1.142 1.00 0.25 O ATOM 164 CB VAL A 12 17.301 0.111 -2.303 1.00 0.20 C ATOM 165 CG1 VAL A 12 17.279 1.062 -3.447 1.00 0.19 C ATOM 166 CG2 VAL A 12 17.889 -1.176 -2.712 1.00 0.20 C ATOM 0 H VAL A 12 15.973 0.978 -0.579 1.00 0.20 H new ATOM 0 HA VAL A 12 18.573 -0.194 -0.606 1.00 0.23 H new ATOM 0 HB VAL A 12 16.253 -0.012 -2.029 1.00 0.20 H new ATOM 0 HG11 VAL A 12 16.768 0.602 -4.293 1.00 0.19 H new ATOM 0 HG12 VAL A 12 16.752 1.970 -3.155 1.00 0.19 H new ATOM 0 HG13 VAL A 12 18.301 1.312 -3.732 1.00 0.19 H new ATOM 0 HG21 VAL A 12 17.393 -1.532 -3.615 1.00 0.20 H new ATOM 0 HG22 VAL A 12 18.953 -1.044 -2.910 1.00 0.20 H new ATOM 0 HG23 VAL A 12 17.757 -1.906 -1.914 1.00 0.20 H new ATOM 176 N LYS A 13 18.520 2.932 -1.572 1.00 0.25 N ATOM 177 CA LYS A 13 19.465 4.070 -1.784 1.00 0.29 C ATOM 178 C LYS A 13 20.316 4.312 -0.518 1.00 0.30 C ATOM 179 O LYS A 13 21.316 5.003 -0.552 1.00 0.32 O ATOM 180 CB LYS A 13 18.623 5.305 -2.143 1.00 0.25 C ATOM 181 CG LYS A 13 18.665 5.519 -3.673 1.00 0.36 C ATOM 182 CD LYS A 13 20.063 6.020 -4.124 1.00 1.48 C ATOM 183 CE LYS A 13 20.043 7.476 -4.528 1.00 1.05 C ATOM 184 NZ LYS A 13 19.405 8.257 -3.430 1.00 1.20 N ATOM 0 H LYS A 13 17.532 3.156 -1.689 1.00 0.25 H new ATOM 0 HA LYS A 13 20.163 3.850 -2.592 1.00 0.29 H new ATOM 0 HB2 LYS A 13 17.594 5.168 -1.811 1.00 0.25 H new ATOM 0 HB3 LYS A 13 19.009 6.186 -1.630 1.00 0.25 H new ATOM 0 HG2 LYS A 13 18.428 4.585 -4.182 1.00 0.36 H new ATOM 0 HG3 LYS A 13 17.904 6.243 -3.964 1.00 0.36 H new ATOM 0 HD2 LYS A 13 20.777 5.879 -3.312 1.00 1.48 H new ATOM 0 HD3 LYS A 13 20.411 5.416 -4.962 1.00 1.48 H new ATOM 0 HE2 LYS A 13 21.057 7.834 -4.709 1.00 1.05 H new ATOM 0 HE3 LYS A 13 19.488 7.605 -5.458 1.00 1.05 H new ATOM 0 HZ1 LYS A 13 19.646 9.263 -3.534 1.00 1.20 H new ATOM 0 HZ2 LYS A 13 18.372 8.142 -3.477 1.00 1.20 H new ATOM 0 HZ3 LYS A 13 19.751 7.911 -2.512 1.00 1.20 H new ATOM 198 N HIS A 14 19.894 3.716 0.565 1.00 0.28 N ATOM 199 CA HIS A 14 20.615 3.861 1.862 1.00 0.32 C ATOM 200 C HIS A 14 21.387 2.578 2.224 1.00 0.32 C ATOM 201 O HIS A 14 21.839 2.457 3.345 1.00 0.25 O ATOM 202 CB HIS A 14 19.586 4.196 2.997 1.00 0.31 C ATOM 203 CG HIS A 14 18.928 5.565 2.838 1.00 0.30 C ATOM 204 ND1 HIS A 14 17.799 5.770 2.254 1.00 0.33 N ATOM 205 CD2 HIS A 14 19.330 6.823 3.244 1.00 0.29 C ATOM 206 CE1 HIS A 14 17.504 7.034 2.279 1.00 0.32 C ATOM 207 NE2 HIS A 14 18.434 7.726 2.888 1.00 0.30 N ATOM 0 H HIS A 14 19.064 3.124 0.605 1.00 0.28 H new ATOM 0 HA HIS A 14 21.337 4.671 1.762 1.00 0.32 H new ATOM 0 HB2 HIS A 14 18.812 3.429 3.012 1.00 0.31 H new ATOM 0 HB3 HIS A 14 20.094 4.156 3.961 1.00 0.31 H new ATOM 0 HD1 HIS A 14 17.220 5.044 1.832 1.00 0.33 H new ATOM 0 HD2 HIS A 14 20.245 7.037 3.776 1.00 0.29 H new ATOM 0 HE1 HIS A 14 16.608 7.460 1.853 1.00 0.32 H new ATOM 215 N LEU A 15 21.545 1.633 1.327 1.00 0.41 N ATOM 216 CA LEU A 15 22.296 0.410 1.664 1.00 0.39 C ATOM 217 C LEU A 15 23.774 0.746 1.833 1.00 0.49 C ATOM 218 O LEU A 15 24.559 0.588 0.917 1.00 0.69 O ATOM 219 CB LEU A 15 22.060 -0.565 0.532 1.00 0.30 C ATOM 220 CG LEU A 15 20.614 -0.978 0.570 1.00 0.10 C ATOM 221 CD1 LEU A 15 20.365 -1.747 -0.674 1.00 0.21 C ATOM 222 CD2 LEU A 15 20.345 -1.953 1.689 1.00 0.17 C ATOM 0 H LEU A 15 21.180 1.668 0.375 1.00 0.41 H new ATOM 0 HA LEU A 15 21.966 -0.030 2.605 1.00 0.39 H new ATOM 0 HB2 LEU A 15 22.300 -0.103 -0.426 1.00 0.30 H new ATOM 0 HB3 LEU A 15 22.708 -1.435 0.637 1.00 0.30 H new ATOM 0 HG LEU A 15 19.998 -0.087 0.692 1.00 0.10 H new ATOM 0 HD11 LEU A 15 19.325 -2.073 -0.698 1.00 0.21 H new ATOM 0 HD12 LEU A 15 20.568 -1.115 -1.539 1.00 0.21 H new ATOM 0 HD13 LEU A 15 21.019 -2.619 -0.700 1.00 0.21 H new ATOM 0 HD21 LEU A 15 19.291 -2.229 1.686 1.00 0.17 H new ATOM 0 HD22 LEU A 15 20.954 -2.846 1.548 1.00 0.17 H new ATOM 0 HD23 LEU A 15 20.596 -1.490 2.643 1.00 0.17 H new ATOM 234 N LYS A 16 24.056 1.224 3.023 1.00 0.59 N ATOM 235 CA LYS A 16 25.415 1.644 3.539 1.00 0.56 C ATOM 236 C LYS A 16 26.597 1.093 2.745 1.00 0.57 C ATOM 237 O LYS A 16 27.609 1.750 2.563 1.00 0.71 O ATOM 238 CB LYS A 16 25.490 1.190 5.030 1.00 0.51 C ATOM 239 CG LYS A 16 26.905 1.314 5.715 1.00 1.60 C ATOM 240 CD LYS A 16 27.292 2.770 6.185 1.00 2.67 C ATOM 241 CE LYS A 16 27.696 3.753 5.072 1.00 4.39 C ATOM 242 NZ LYS A 16 28.884 3.198 4.348 1.00 5.52 N ATOM 0 H LYS A 16 23.328 1.352 3.726 1.00 0.59 H new ATOM 0 HA LYS A 16 25.503 2.725 3.429 1.00 0.56 H new ATOM 0 HB2 LYS A 16 24.776 1.779 5.606 1.00 0.51 H new ATOM 0 HB3 LYS A 16 25.168 0.150 5.090 1.00 0.51 H new ATOM 0 HG2 LYS A 16 26.933 0.650 6.579 1.00 1.60 H new ATOM 0 HG3 LYS A 16 27.663 0.960 5.016 1.00 1.60 H new ATOM 0 HD2 LYS A 16 26.445 3.193 6.726 1.00 2.67 H new ATOM 0 HD3 LYS A 16 28.117 2.695 6.893 1.00 2.67 H new ATOM 0 HE2 LYS A 16 26.867 3.901 4.380 1.00 4.39 H new ATOM 0 HE3 LYS A 16 27.934 4.728 5.497 1.00 4.39 H new ATOM 0 HZ1 LYS A 16 29.428 3.977 3.926 1.00 5.52 H new ATOM 0 HZ2 LYS A 16 29.486 2.678 5.017 1.00 5.52 H new ATOM 0 HZ3 LYS A 16 28.563 2.553 3.598 1.00 5.52 H new ATOM 256 N THR A 17 26.360 -0.108 2.317 1.00 0.47 N ATOM 257 CA THR A 17 27.286 -0.936 1.525 1.00 0.37 C ATOM 258 C THR A 17 26.716 -1.281 0.157 1.00 0.38 C ATOM 259 O THR A 17 25.883 -2.161 0.105 1.00 0.54 O ATOM 260 CB THR A 17 27.595 -2.271 2.267 1.00 0.11 C ATOM 261 OG1 THR A 17 28.678 -1.985 3.133 1.00 0.30 O ATOM 262 CG2 THR A 17 28.145 -3.301 1.310 1.00 0.16 C ATOM 0 H THR A 17 25.478 -0.583 2.507 1.00 0.47 H new ATOM 0 HA THR A 17 28.194 -0.348 1.396 1.00 0.37 H new ATOM 0 HB THR A 17 26.690 -2.637 2.752 1.00 0.11 H new ATOM 0 HG1 THR A 17 28.919 -2.793 3.633 1.00 0.30 H new ATOM 0 HG21 THR A 17 28.353 -4.225 1.850 1.00 0.16 H new ATOM 0 HG22 THR A 17 27.414 -3.496 0.526 1.00 0.16 H new ATOM 0 HG23 THR A 17 29.066 -2.927 0.862 1.00 0.16 H new ATOM 270 N LYS A 18 27.118 -0.585 -0.881 1.00 0.34 N ATOM 271 CA LYS A 18 26.647 -0.870 -2.259 1.00 0.43 C ATOM 272 C LYS A 18 26.468 -2.389 -2.333 1.00 0.48 C ATOM 273 O LYS A 18 27.436 -3.123 -2.233 1.00 0.62 O ATOM 274 CB LYS A 18 27.716 -0.385 -3.230 1.00 0.44 C ATOM 275 CG LYS A 18 29.050 -1.195 -3.148 1.00 0.75 C ATOM 276 CD LYS A 18 30.190 -0.469 -3.906 1.00 0.97 C ATOM 277 CE LYS A 18 30.730 0.659 -3.029 1.00 2.68 C ATOM 278 NZ LYS A 18 31.436 1.667 -3.881 1.00 4.08 N ATOM 0 H LYS A 18 27.775 0.193 -0.819 1.00 0.34 H new ATOM 0 HA LYS A 18 25.711 -0.371 -2.511 1.00 0.43 H new ATOM 0 HB2 LYS A 18 27.326 -0.445 -4.246 1.00 0.44 H new ATOM 0 HB3 LYS A 18 27.926 0.666 -3.031 1.00 0.44 H new ATOM 0 HG2 LYS A 18 29.333 -1.332 -2.104 1.00 0.75 H new ATOM 0 HG3 LYS A 18 28.903 -2.189 -3.571 1.00 0.75 H new ATOM 0 HD2 LYS A 18 30.987 -1.171 -4.149 1.00 0.97 H new ATOM 0 HD3 LYS A 18 29.819 -0.068 -4.849 1.00 0.97 H new ATOM 0 HE2 LYS A 18 29.912 1.135 -2.488 1.00 2.68 H new ATOM 0 HE3 LYS A 18 31.415 0.256 -2.283 1.00 2.68 H new ATOM 0 HZ1 LYS A 18 31.802 2.433 -3.281 1.00 4.08 H new ATOM 0 HZ2 LYS A 18 32.226 1.209 -4.378 1.00 4.08 H new ATOM 0 HZ3 LYS A 18 30.771 2.060 -4.577 1.00 4.08 H new ATOM 292 N PRO A 19 25.261 -2.843 -2.456 1.00 0.43 N ATOM 293 CA PRO A 19 25.064 -4.298 -2.533 1.00 0.44 C ATOM 294 C PRO A 19 25.880 -4.880 -3.688 1.00 0.53 C ATOM 295 O PRO A 19 26.421 -4.164 -4.507 1.00 0.60 O ATOM 296 CB PRO A 19 23.563 -4.370 -2.637 1.00 0.37 C ATOM 297 CG PRO A 19 23.136 -3.095 -1.835 1.00 0.40 C ATOM 298 CD PRO A 19 24.000 -2.061 -2.471 1.00 0.38 C ATOM 0 HA PRO A 19 25.419 -4.904 -1.699 1.00 0.44 H new ATOM 0 HB2 PRO A 19 23.221 -4.338 -3.671 1.00 0.37 H new ATOM 0 HB3 PRO A 19 23.164 -5.284 -2.198 1.00 0.37 H new ATOM 0 HG2 PRO A 19 22.075 -2.873 -1.947 1.00 0.40 H new ATOM 0 HG3 PRO A 19 23.329 -3.195 -0.767 1.00 0.40 H new ATOM 0 HD2 PRO A 19 23.675 -1.789 -3.475 1.00 0.38 H new ATOM 0 HD3 PRO A 19 24.060 -1.138 -1.894 1.00 0.38 H new ATOM 306 N ALA A 20 25.966 -6.173 -3.742 1.00 0.57 N ATOM 307 CA ALA A 20 26.762 -6.770 -4.862 1.00 0.72 C ATOM 308 C ALA A 20 26.115 -6.294 -6.173 1.00 0.60 C ATOM 309 O ALA A 20 24.913 -6.429 -6.327 1.00 0.48 O ATOM 310 CB ALA A 20 26.706 -8.292 -4.769 1.00 0.82 C ATOM 0 H ALA A 20 25.540 -6.831 -3.089 1.00 0.57 H new ATOM 0 HA ALA A 20 27.807 -6.464 -4.815 1.00 0.72 H new ATOM 0 HB1 ALA A 20 27.285 -8.728 -5.583 1.00 0.82 H new ATOM 0 HB2 ALA A 20 27.123 -8.614 -3.815 1.00 0.82 H new ATOM 0 HB3 ALA A 20 25.670 -8.623 -4.842 1.00 0.82 H new ATOM 316 N ASP A 21 26.898 -5.745 -7.066 1.00 0.68 N ATOM 317 CA ASP A 21 26.331 -5.268 -8.354 1.00 0.56 C ATOM 318 C ASP A 21 25.341 -6.297 -8.891 1.00 0.53 C ATOM 319 O ASP A 21 24.248 -5.892 -9.203 1.00 0.54 O ATOM 320 CB ASP A 21 27.570 -4.970 -9.250 1.00 0.73 C ATOM 321 CG ASP A 21 28.308 -3.759 -8.700 1.00 0.99 C ATOM 322 OD1 ASP A 21 27.810 -3.136 -7.785 1.00 1.89 O ATOM 323 OD2 ASP A 21 29.360 -3.442 -9.211 1.00 1.21 O ATOM 0 H ASP A 21 27.903 -5.608 -6.956 1.00 0.68 H new ATOM 0 HA ASP A 21 25.734 -4.359 -8.286 1.00 0.56 H new ATOM 0 HB2 ASP A 21 28.233 -5.835 -9.273 1.00 0.73 H new ATOM 0 HB3 ASP A 21 27.254 -4.783 -10.276 1.00 0.73 H new ATOM 328 N GLU A 22 25.657 -7.561 -8.996 1.00 0.72 N ATOM 329 CA GLU A 22 24.639 -8.531 -9.513 1.00 0.79 C ATOM 330 C GLU A 22 23.255 -8.301 -8.826 1.00 0.69 C ATOM 331 O GLU A 22 22.213 -8.440 -9.442 1.00 0.75 O ATOM 332 CB GLU A 22 25.194 -9.953 -9.248 1.00 1.00 C ATOM 333 CG GLU A 22 26.486 -10.201 -10.104 1.00 1.10 C ATOM 334 CD GLU A 22 26.948 -11.673 -10.021 1.00 1.09 C ATOM 335 OE1 GLU A 22 26.197 -12.501 -10.509 1.00 0.53 O ATOM 336 OE2 GLU A 22 28.022 -11.899 -9.479 1.00 2.08 O ATOM 0 H GLU A 22 26.562 -7.963 -8.751 1.00 0.72 H new ATOM 0 HA GLU A 22 24.469 -8.393 -10.581 1.00 0.79 H new ATOM 0 HB2 GLU A 22 25.423 -10.070 -8.189 1.00 1.00 H new ATOM 0 HB3 GLU A 22 24.437 -10.698 -9.495 1.00 1.00 H new ATOM 0 HG2 GLU A 22 26.291 -9.938 -11.144 1.00 1.10 H new ATOM 0 HG3 GLU A 22 27.286 -9.548 -9.755 1.00 1.10 H new ATOM 343 N GLU A 23 23.245 -7.948 -7.562 1.00 0.60 N ATOM 344 CA GLU A 23 21.940 -7.701 -6.853 1.00 0.49 C ATOM 345 C GLU A 23 21.428 -6.303 -7.228 1.00 0.35 C ATOM 346 O GLU A 23 20.223 -6.114 -7.326 1.00 0.32 O ATOM 347 CB GLU A 23 22.118 -7.767 -5.313 1.00 0.39 C ATOM 348 CG GLU A 23 22.686 -9.144 -4.895 1.00 0.63 C ATOM 349 CD GLU A 23 22.315 -9.368 -3.434 1.00 0.53 C ATOM 350 OE1 GLU A 23 21.126 -9.541 -3.278 1.00 0.92 O ATOM 351 OE2 GLU A 23 23.138 -9.369 -2.530 1.00 1.55 O ATOM 0 H GLU A 23 24.079 -7.820 -6.989 1.00 0.60 H new ATOM 0 HA GLU A 23 21.231 -8.471 -7.156 1.00 0.49 H new ATOM 0 HB2 GLU A 23 22.790 -6.974 -4.984 1.00 0.39 H new ATOM 0 HB3 GLU A 23 21.160 -7.597 -4.822 1.00 0.39 H new ATOM 0 HG2 GLU A 23 22.273 -9.935 -5.521 1.00 0.63 H new ATOM 0 HG3 GLU A 23 23.768 -9.168 -5.024 1.00 0.63 H new ATOM 358 N MET A 24 22.349 -5.381 -7.429 1.00 0.31 N ATOM 359 CA MET A 24 21.981 -3.987 -7.807 1.00 0.18 C ATOM 360 C MET A 24 21.270 -4.199 -9.162 1.00 0.14 C ATOM 361 O MET A 24 20.193 -3.690 -9.362 1.00 0.14 O ATOM 362 CB MET A 24 23.304 -3.209 -7.869 1.00 0.31 C ATOM 363 CG MET A 24 23.960 -3.185 -6.470 1.00 0.22 C ATOM 364 SD MET A 24 25.458 -2.183 -6.319 1.00 0.57 S ATOM 365 CE MET A 24 24.653 -0.568 -6.340 1.00 0.39 C ATOM 0 H MET A 24 23.352 -5.546 -7.344 1.00 0.31 H new ATOM 0 HA MET A 24 21.331 -3.419 -7.141 1.00 0.18 H new ATOM 0 HB2 MET A 24 23.977 -3.674 -8.589 1.00 0.31 H new ATOM 0 HB3 MET A 24 23.123 -2.191 -8.214 1.00 0.31 H new ATOM 0 HG2 MET A 24 23.227 -2.818 -5.752 1.00 0.22 H new ATOM 0 HG3 MET A 24 24.201 -4.209 -6.185 1.00 0.22 H new ATOM 0 HE1 MET A 24 25.072 0.037 -7.144 1.00 0.39 H new ATOM 0 HE2 MET A 24 23.583 -0.697 -6.503 1.00 0.39 H new ATOM 0 HE3 MET A 24 24.817 -0.067 -5.386 1.00 0.39 H new ATOM 375 N LEU A 25 21.926 -4.927 -10.028 1.00 0.23 N ATOM 376 CA LEU A 25 21.465 -5.314 -11.386 1.00 0.33 C ATOM 377 C LEU A 25 19.949 -5.502 -11.354 1.00 0.35 C ATOM 378 O LEU A 25 19.213 -4.764 -11.988 1.00 0.41 O ATOM 379 CB LEU A 25 22.259 -6.588 -11.693 1.00 0.41 C ATOM 380 CG LEU A 25 23.288 -6.308 -12.719 1.00 0.34 C ATOM 381 CD1 LEU A 25 24.452 -7.199 -12.701 1.00 0.35 C ATOM 382 CD2 LEU A 25 22.656 -6.319 -14.111 1.00 0.52 C ATOM 0 H LEU A 25 22.852 -5.299 -9.817 1.00 0.23 H new ATOM 0 HA LEU A 25 21.639 -4.575 -12.168 1.00 0.33 H new ATOM 0 HB2 LEU A 25 22.732 -6.960 -10.784 1.00 0.41 H new ATOM 0 HB3 LEU A 25 21.586 -7.370 -12.045 1.00 0.41 H new ATOM 0 HG LEU A 25 23.675 -5.320 -12.467 1.00 0.34 H new ATOM 0 HD11 LEU A 25 25.145 -6.909 -13.491 1.00 0.35 H new ATOM 0 HD12 LEU A 25 24.952 -7.125 -11.735 1.00 0.35 H new ATOM 0 HD13 LEU A 25 24.126 -8.226 -12.864 1.00 0.35 H new ATOM 0 HD21 LEU A 25 23.421 -6.112 -14.859 1.00 0.52 H new ATOM 0 HD22 LEU A 25 22.216 -7.297 -14.303 1.00 0.52 H new ATOM 0 HD23 LEU A 25 21.880 -5.555 -14.164 1.00 0.52 H new ATOM 394 N PHE A 26 19.548 -6.494 -10.597 1.00 0.30 N ATOM 395 CA PHE A 26 18.085 -6.769 -10.479 1.00 0.31 C ATOM 396 C PHE A 26 17.335 -5.549 -9.935 1.00 0.26 C ATOM 397 O PHE A 26 16.383 -5.078 -10.529 1.00 0.25 O ATOM 398 CB PHE A 26 17.804 -7.924 -9.507 1.00 0.28 C ATOM 399 CG PHE A 26 16.263 -8.093 -9.466 1.00 0.34 C ATOM 400 CD1 PHE A 26 15.455 -7.239 -8.712 1.00 1.18 C ATOM 401 CD2 PHE A 26 15.664 -9.095 -10.209 1.00 1.53 C ATOM 402 CE1 PHE A 26 14.089 -7.402 -8.719 1.00 1.25 C ATOM 403 CE2 PHE A 26 14.295 -9.249 -10.208 1.00 1.51 C ATOM 404 CZ PHE A 26 13.513 -8.399 -9.461 1.00 0.53 C ATOM 0 H PHE A 26 20.159 -7.114 -10.065 1.00 0.30 H new ATOM 0 HA PHE A 26 17.746 -7.021 -11.484 1.00 0.31 H new ATOM 0 HB2 PHE A 26 18.287 -8.841 -9.843 1.00 0.28 H new ATOM 0 HB3 PHE A 26 18.197 -7.702 -8.515 1.00 0.28 H new ATOM 0 HD1 PHE A 26 15.902 -6.451 -8.124 1.00 1.18 H new ATOM 0 HD2 PHE A 26 16.276 -9.764 -10.796 1.00 1.53 H new ATOM 0 HE1 PHE A 26 13.467 -6.740 -8.136 1.00 1.25 H new ATOM 0 HE2 PHE A 26 13.837 -10.034 -10.792 1.00 1.51 H new ATOM 0 HZ PHE A 26 12.440 -8.518 -9.459 1.00 0.53 H new ATOM 414 N ILE A 27 17.769 -5.073 -8.800 1.00 0.22 N ATOM 415 CA ILE A 27 17.100 -3.891 -8.182 1.00 0.17 C ATOM 416 C ILE A 27 16.800 -2.831 -9.242 1.00 0.19 C ATOM 417 O ILE A 27 15.657 -2.445 -9.420 1.00 0.25 O ATOM 418 CB ILE A 27 18.049 -3.462 -7.088 1.00 0.17 C ATOM 419 CG1 ILE A 27 18.029 -4.618 -6.018 1.00 0.24 C ATOM 420 CG2 ILE A 27 17.533 -2.148 -6.530 1.00 0.18 C ATOM 421 CD1 ILE A 27 16.897 -4.431 -5.011 1.00 0.19 C ATOM 0 H ILE A 27 18.557 -5.450 -8.274 1.00 0.22 H new ATOM 0 HA ILE A 27 16.119 -4.097 -7.755 1.00 0.17 H new ATOM 0 HB ILE A 27 19.073 -3.303 -7.425 1.00 0.17 H new ATOM 0 HG12 ILE A 27 17.915 -5.578 -6.521 1.00 0.24 H new ATOM 0 HG13 ILE A 27 18.984 -4.645 -5.493 1.00 0.24 H new ATOM 0 HG21 ILE A 27 18.195 -1.805 -5.735 1.00 0.18 H new ATOM 0 HG22 ILE A 27 17.504 -1.402 -7.324 1.00 0.18 H new ATOM 0 HG23 ILE A 27 16.529 -2.292 -6.130 1.00 0.18 H new ATOM 0 HD11 ILE A 27 16.914 -5.247 -4.288 1.00 0.19 H new ATOM 0 HD12 ILE A 27 17.026 -3.482 -4.490 1.00 0.19 H new ATOM 0 HD13 ILE A 27 15.941 -4.430 -5.534 1.00 0.19 H new ATOM 433 N TYR A 28 17.845 -2.387 -9.899 1.00 0.22 N ATOM 434 CA TYR A 28 17.660 -1.370 -10.968 1.00 0.29 C ATOM 435 C TYR A 28 16.467 -1.631 -11.911 1.00 0.30 C ATOM 436 O TYR A 28 15.532 -0.863 -11.900 1.00 0.32 O ATOM 437 CB TYR A 28 18.885 -1.343 -11.773 1.00 0.44 C ATOM 438 CG TYR A 28 18.872 -0.103 -12.699 1.00 0.25 C ATOM 439 CD1 TYR A 28 18.967 1.193 -12.225 1.00 0.58 C ATOM 440 CD2 TYR A 28 18.780 -0.286 -14.056 1.00 0.56 C ATOM 441 CE1 TYR A 28 18.975 2.257 -13.091 1.00 0.69 C ATOM 442 CE2 TYR A 28 18.789 0.793 -14.923 1.00 0.41 C ATOM 443 CZ TYR A 28 18.889 2.071 -14.448 1.00 0.24 C ATOM 444 OH TYR A 28 18.902 3.148 -15.308 1.00 0.35 O ATOM 0 H TYR A 28 18.807 -2.685 -9.739 1.00 0.22 H new ATOM 0 HA TYR A 28 17.448 -0.425 -10.468 1.00 0.29 H new ATOM 0 HB2 TYR A 28 19.759 -1.314 -11.122 1.00 0.44 H new ATOM 0 HB3 TYR A 28 18.961 -2.253 -12.368 1.00 0.44 H new ATOM 0 HD1 TYR A 28 19.036 1.369 -11.162 1.00 0.58 H new ATOM 0 HD2 TYR A 28 18.699 -1.287 -14.453 1.00 0.56 H new ATOM 0 HE1 TYR A 28 19.050 3.260 -12.697 1.00 0.69 H new ATOM 0 HE2 TYR A 28 18.716 0.623 -15.987 1.00 0.41 H new ATOM 0 HH TYR A 28 18.833 2.829 -16.232 1.00 0.35 H new ATOM 454 N SER A 29 16.551 -2.691 -12.679 1.00 0.34 N ATOM 455 CA SER A 29 15.461 -3.050 -13.644 1.00 0.37 C ATOM 456 C SER A 29 14.062 -2.793 -13.090 1.00 0.33 C ATOM 457 O SER A 29 13.288 -2.053 -13.661 1.00 0.35 O ATOM 458 CB SER A 29 15.655 -4.521 -14.021 1.00 0.42 C ATOM 459 OG SER A 29 15.319 -5.253 -12.854 1.00 0.91 O ATOM 0 H SER A 29 17.343 -3.334 -12.678 1.00 0.34 H new ATOM 0 HA SER A 29 15.534 -2.410 -14.523 1.00 0.37 H new ATOM 0 HB2 SER A 29 15.015 -4.800 -14.858 1.00 0.42 H new ATOM 0 HB3 SER A 29 16.683 -4.717 -14.326 1.00 0.42 H new ATOM 0 HG SER A 29 16.034 -5.157 -12.190 1.00 0.91 H new ATOM 465 N HIS A 30 13.781 -3.409 -11.983 1.00 0.29 N ATOM 466 CA HIS A 30 12.473 -3.257 -11.314 1.00 0.28 C ATOM 467 C HIS A 30 12.281 -1.814 -10.788 1.00 0.24 C ATOM 468 O HIS A 30 11.263 -1.228 -11.089 1.00 0.28 O ATOM 469 CB HIS A 30 12.523 -4.347 -10.275 1.00 0.25 C ATOM 470 CG HIS A 30 12.220 -5.612 -11.057 1.00 0.40 C ATOM 471 ND1 HIS A 30 11.022 -5.974 -11.328 1.00 1.30 N ATOM 472 CD2 HIS A 30 13.010 -6.582 -11.636 1.00 0.42 C ATOM 473 CE1 HIS A 30 11.035 -7.069 -12.016 1.00 1.18 C ATOM 474 NE2 HIS A 30 12.257 -7.484 -12.232 1.00 0.36 N ATOM 0 H HIS A 30 14.429 -4.032 -11.501 1.00 0.29 H new ATOM 0 HA HIS A 30 11.596 -3.374 -11.950 1.00 0.28 H new ATOM 0 HB2 HIS A 30 13.501 -4.398 -9.796 1.00 0.25 H new ATOM 0 HB3 HIS A 30 11.790 -4.180 -9.486 1.00 0.25 H new ATOM 0 HD2 HIS A 30 14.089 -6.600 -11.605 1.00 0.42 H new ATOM 0 HE1 HIS A 30 10.149 -7.577 -12.368 1.00 1.18 H new ATOM 0 HE2 HIS A 30 12.557 -8.314 -12.743 1.00 0.36 H new ATOM 482 N TYR A 31 13.191 -1.249 -10.035 1.00 0.21 N ATOM 483 CA TYR A 31 13.032 0.156 -9.530 1.00 0.24 C ATOM 484 C TYR A 31 12.648 1.099 -10.711 1.00 0.26 C ATOM 485 O TYR A 31 11.669 1.819 -10.733 1.00 0.28 O ATOM 486 CB TYR A 31 14.365 0.635 -8.951 1.00 0.21 C ATOM 487 CG TYR A 31 14.197 2.083 -8.536 1.00 0.23 C ATOM 488 CD1 TYR A 31 13.269 2.488 -7.606 1.00 1.30 C ATOM 489 CD2 TYR A 31 14.975 3.000 -9.168 1.00 0.85 C ATOM 490 CE1 TYR A 31 13.119 3.832 -7.322 1.00 1.38 C ATOM 491 CE2 TYR A 31 14.830 4.340 -8.893 1.00 0.79 C ATOM 492 CZ TYR A 31 13.906 4.756 -7.977 1.00 0.37 C ATOM 493 OH TYR A 31 13.787 6.107 -7.758 1.00 0.44 O ATOM 0 H TYR A 31 14.054 -1.708 -9.742 1.00 0.21 H new ATOM 0 HA TYR A 31 12.253 0.175 -8.768 1.00 0.24 H new ATOM 0 HB2 TYR A 31 14.652 0.023 -8.096 1.00 0.21 H new ATOM 0 HB3 TYR A 31 15.159 0.540 -9.691 1.00 0.21 H new ATOM 0 HD1 TYR A 31 12.658 1.757 -7.098 1.00 1.30 H new ATOM 0 HD2 TYR A 31 15.710 2.676 -9.889 1.00 0.85 H new ATOM 0 HE1 TYR A 31 12.391 4.156 -6.593 1.00 1.38 H new ATOM 0 HE2 TYR A 31 15.448 5.065 -9.402 1.00 0.79 H new ATOM 0 HH TYR A 31 14.433 6.587 -8.317 1.00 0.44 H new ATOM 503 N LYS A 32 13.517 1.025 -11.680 1.00 0.25 N ATOM 504 CA LYS A 32 13.444 1.805 -12.944 1.00 0.21 C ATOM 505 C LYS A 32 12.140 1.503 -13.666 1.00 0.20 C ATOM 506 O LYS A 32 11.468 2.412 -14.096 1.00 0.11 O ATOM 507 CB LYS A 32 14.675 1.403 -13.706 1.00 0.25 C ATOM 508 CG LYS A 32 15.936 1.842 -12.925 1.00 0.25 C ATOM 509 CD LYS A 32 16.131 3.401 -12.797 1.00 0.25 C ATOM 510 CE LYS A 32 16.381 3.998 -14.171 1.00 0.34 C ATOM 511 NZ LYS A 32 17.399 5.108 -14.079 1.00 0.19 N ATOM 0 H LYS A 32 14.330 0.410 -11.638 1.00 0.25 H new ATOM 0 HA LYS A 32 13.432 2.885 -12.800 1.00 0.21 H new ATOM 0 HB2 LYS A 32 14.686 0.323 -13.856 1.00 0.25 H new ATOM 0 HB3 LYS A 32 14.669 1.862 -14.695 1.00 0.25 H new ATOM 0 HG2 LYS A 32 15.893 1.413 -11.924 1.00 0.25 H new ATOM 0 HG3 LYS A 32 16.814 1.420 -13.415 1.00 0.25 H new ATOM 0 HD2 LYS A 32 15.246 3.853 -12.349 1.00 0.25 H new ATOM 0 HD3 LYS A 32 16.970 3.620 -12.136 1.00 0.25 H new ATOM 0 HE2 LYS A 32 16.736 3.225 -14.852 1.00 0.34 H new ATOM 0 HE3 LYS A 32 15.448 4.383 -14.583 1.00 0.34 H new ATOM 0 HZ1 LYS A 32 17.058 5.936 -14.607 1.00 0.19 H new ATOM 0 HZ2 LYS A 32 17.541 5.367 -13.082 1.00 0.19 H new ATOM 0 HZ3 LYS A 32 18.301 4.786 -14.485 1.00 0.19 H new ATOM 525 N GLN A 33 11.802 0.257 -13.824 1.00 0.28 N ATOM 526 CA GLN A 33 10.506 -0.039 -14.512 1.00 0.26 C ATOM 527 C GLN A 33 9.340 0.502 -13.675 1.00 0.24 C ATOM 528 O GLN A 33 8.443 1.133 -14.199 1.00 0.23 O ATOM 529 CB GLN A 33 10.375 -1.532 -14.705 1.00 0.29 C ATOM 530 CG GLN A 33 10.159 -1.834 -16.182 1.00 0.10 C ATOM 531 CD GLN A 33 8.841 -1.291 -16.718 1.00 0.53 C ATOM 532 OE1 GLN A 33 8.741 -1.089 -17.903 1.00 1.51 O ATOM 533 NE2 GLN A 33 7.816 -1.063 -15.959 1.00 0.84 N ATOM 0 H GLN A 33 12.344 -0.552 -13.519 1.00 0.28 H new ATOM 0 HA GLN A 33 10.485 0.447 -15.487 1.00 0.26 H new ATOM 0 HB2 GLN A 33 11.273 -2.036 -14.347 1.00 0.29 H new ATOM 0 HB3 GLN A 33 9.539 -1.914 -14.118 1.00 0.29 H new ATOM 0 HG2 GLN A 33 10.981 -1.408 -16.757 1.00 0.10 H new ATOM 0 HG3 GLN A 33 10.189 -2.913 -16.334 1.00 0.10 H new ATOM 0 HE21 GLN A 33 7.879 -1.227 -14.954 1.00 0.84 H new ATOM 0 HE22 GLN A 33 6.946 -0.719 -16.366 1.00 0.84 H new ATOM 542 N ALA A 34 9.368 0.249 -12.395 1.00 0.25 N ATOM 543 CA ALA A 34 8.279 0.740 -11.500 1.00 0.23 C ATOM 544 C ALA A 34 8.108 2.263 -11.574 1.00 0.17 C ATOM 545 O ALA A 34 7.013 2.758 -11.726 1.00 0.15 O ATOM 546 CB ALA A 34 8.600 0.327 -10.077 1.00 0.31 C ATOM 0 H ALA A 34 10.103 -0.280 -11.927 1.00 0.25 H new ATOM 0 HA ALA A 34 7.339 0.297 -11.829 1.00 0.23 H new ATOM 0 HB1 ALA A 34 7.813 0.679 -9.410 1.00 0.31 H new ATOM 0 HB2 ALA A 34 8.666 -0.759 -10.020 1.00 0.31 H new ATOM 0 HB3 ALA A 34 9.552 0.765 -9.777 1.00 0.31 H new ATOM 552 N THR A 35 9.199 2.973 -11.478 1.00 0.20 N ATOM 553 CA THR A 35 9.170 4.485 -11.526 1.00 0.21 C ATOM 554 C THR A 35 9.209 5.022 -12.952 1.00 0.15 C ATOM 555 O THR A 35 8.371 5.830 -13.306 1.00 0.13 O ATOM 556 CB THR A 35 10.380 5.049 -10.737 1.00 0.31 C ATOM 557 OG1 THR A 35 11.492 4.489 -11.407 1.00 0.31 O ATOM 558 CG2 THR A 35 10.473 4.435 -9.363 1.00 0.34 C ATOM 0 H THR A 35 10.131 2.573 -11.366 1.00 0.20 H new ATOM 0 HA THR A 35 8.231 4.807 -11.076 1.00 0.21 H new ATOM 0 HB THR A 35 10.317 6.135 -10.671 1.00 0.31 H new ATOM 0 HG1 THR A 35 11.656 3.584 -11.069 1.00 0.31 H new ATOM 0 HG21 THR A 35 11.331 4.851 -8.836 1.00 0.34 H new ATOM 0 HG22 THR A 35 9.563 4.654 -8.804 1.00 0.34 H new ATOM 0 HG23 THR A 35 10.592 3.355 -9.454 1.00 0.34 H new ATOM 566 N VAL A 36 10.135 4.583 -13.760 1.00 0.15 N ATOM 567 CA VAL A 36 10.224 5.076 -15.176 1.00 0.14 C ATOM 568 C VAL A 36 9.203 4.386 -16.104 1.00 0.14 C ATOM 569 O VAL A 36 8.253 4.983 -16.577 1.00 0.09 O ATOM 570 CB VAL A 36 11.673 4.812 -15.784 1.00 0.17 C ATOM 571 CG1 VAL A 36 11.793 5.571 -17.132 1.00 0.17 C ATOM 572 CG2 VAL A 36 12.815 5.219 -14.893 1.00 0.15 C ATOM 0 H VAL A 36 10.844 3.896 -13.502 1.00 0.15 H new ATOM 0 HA VAL A 36 10.010 6.144 -15.130 1.00 0.14 H new ATOM 0 HB VAL A 36 11.758 3.732 -15.907 1.00 0.17 H new ATOM 0 HG11 VAL A 36 12.781 5.399 -17.560 1.00 0.17 H new ATOM 0 HG12 VAL A 36 11.031 5.210 -17.822 1.00 0.17 H new ATOM 0 HG13 VAL A 36 11.652 6.638 -16.962 1.00 0.17 H new ATOM 0 HG21 VAL A 36 13.760 5.001 -15.391 1.00 0.15 H new ATOM 0 HG22 VAL A 36 12.752 6.287 -14.685 1.00 0.15 H new ATOM 0 HG23 VAL A 36 12.762 4.664 -13.957 1.00 0.15 H new ATOM 582 N GLY A 37 9.458 3.127 -16.286 1.00 0.21 N ATOM 583 CA GLY A 37 8.648 2.191 -17.160 1.00 0.22 C ATOM 584 C GLY A 37 9.609 1.729 -18.280 1.00 0.24 C ATOM 585 O GLY A 37 10.645 1.171 -17.973 1.00 0.27 O ATOM 0 H GLY A 37 10.248 2.663 -15.838 1.00 0.21 H new ATOM 0 HA2 GLY A 37 8.278 1.341 -16.586 1.00 0.22 H new ATOM 0 HA3 GLY A 37 7.777 2.698 -17.576 1.00 0.22 H new ATOM 589 N ASP A 38 9.259 1.962 -19.517 1.00 0.66 N ATOM 590 CA ASP A 38 10.142 1.558 -20.653 1.00 0.73 C ATOM 591 C ASP A 38 11.474 2.327 -20.602 1.00 0.67 C ATOM 592 O ASP A 38 11.566 3.364 -19.978 1.00 0.69 O ATOM 593 CB ASP A 38 9.390 1.868 -21.954 1.00 0.85 C ATOM 594 CG ASP A 38 8.193 0.962 -22.093 1.00 0.94 C ATOM 595 OD1 ASP A 38 7.304 1.074 -21.271 1.00 1.50 O ATOM 596 OD2 ASP A 38 8.248 0.188 -23.029 1.00 1.41 O ATOM 0 H ASP A 38 8.390 2.420 -19.793 1.00 0.66 H new ATOM 0 HA ASP A 38 10.377 0.495 -20.593 1.00 0.73 H new ATOM 0 HB2 ASP A 38 9.069 2.910 -21.957 1.00 0.85 H new ATOM 0 HB3 ASP A 38 10.055 1.737 -22.807 1.00 0.85 H new ATOM 601 N ILE A 39 12.476 1.831 -21.273 1.00 0.61 N ATOM 602 CA ILE A 39 13.809 2.524 -21.265 1.00 0.55 C ATOM 603 C ILE A 39 14.054 3.327 -22.582 1.00 0.64 C ATOM 604 O ILE A 39 13.836 2.857 -23.679 1.00 0.74 O ATOM 605 CB ILE A 39 14.857 1.385 -21.020 1.00 0.36 C ATOM 606 CG1 ILE A 39 16.304 1.902 -20.779 1.00 0.32 C ATOM 607 CG2 ILE A 39 14.833 0.428 -22.213 1.00 0.31 C ATOM 608 CD1 ILE A 39 17.204 0.718 -20.313 1.00 0.19 C ATOM 0 H ILE A 39 12.436 0.976 -21.828 1.00 0.61 H new ATOM 0 HA ILE A 39 13.878 3.283 -20.486 1.00 0.55 H new ATOM 0 HB ILE A 39 14.568 0.875 -20.101 1.00 0.36 H new ATOM 0 HG12 ILE A 39 16.703 2.339 -21.694 1.00 0.32 H new ATOM 0 HG13 ILE A 39 16.300 2.689 -20.025 1.00 0.32 H new ATOM 0 HG21 ILE A 39 15.559 -0.370 -22.054 1.00 0.31 H new ATOM 0 HG22 ILE A 39 13.837 -0.003 -22.314 1.00 0.31 H new ATOM 0 HG23 ILE A 39 15.086 0.973 -23.122 1.00 0.31 H new ATOM 0 HD11 ILE A 39 18.219 1.077 -20.143 1.00 0.19 H new ATOM 0 HD12 ILE A 39 16.807 0.302 -19.387 1.00 0.19 H new ATOM 0 HD13 ILE A 39 17.216 -0.054 -21.082 1.00 0.19 H new ATOM 620 N ASN A 40 14.493 4.547 -22.433 1.00 0.68 N ATOM 621 CA ASN A 40 14.785 5.450 -23.613 1.00 0.94 C ATOM 622 C ASN A 40 16.133 6.177 -23.358 1.00 0.96 C ATOM 623 O ASN A 40 16.354 7.348 -23.602 1.00 1.05 O ATOM 624 CB ASN A 40 13.555 6.395 -23.721 1.00 1.15 C ATOM 625 CG ASN A 40 13.204 6.964 -22.354 1.00 1.09 C ATOM 626 OD1 ASN A 40 13.523 8.075 -22.009 1.00 1.35 O ATOM 627 ND2 ASN A 40 12.542 6.246 -21.504 1.00 1.09 N ATOM 0 H ASN A 40 14.670 4.977 -21.525 1.00 0.68 H new ATOM 0 HA ASN A 40 14.911 4.929 -24.562 1.00 0.94 H new ATOM 0 HB2 ASN A 40 13.771 7.207 -24.416 1.00 1.15 H new ATOM 0 HB3 ASN A 40 12.703 5.849 -24.125 1.00 1.15 H new ATOM 0 HD21 ASN A 40 12.311 6.626 -20.586 1.00 1.09 H new ATOM 0 HD22 ASN A 40 12.251 5.300 -21.752 1.00 1.09 H new ATOM 634 N THR A 41 17.001 5.347 -22.853 1.00 0.90 N ATOM 635 CA THR A 41 18.412 5.709 -22.468 1.00 0.92 C ATOM 636 C THR A 41 19.435 4.764 -23.141 1.00 0.92 C ATOM 637 O THR A 41 19.047 3.844 -23.831 1.00 0.93 O ATOM 638 CB THR A 41 18.530 5.575 -20.944 1.00 0.82 C ATOM 639 OG1 THR A 41 18.505 4.162 -20.821 1.00 0.65 O ATOM 640 CG2 THR A 41 17.218 5.933 -20.210 1.00 0.89 C ATOM 0 H THR A 41 16.781 4.367 -22.678 1.00 0.90 H new ATOM 0 HA THR A 41 18.627 6.726 -22.796 1.00 0.92 H new ATOM 0 HB THR A 41 19.360 6.171 -20.564 1.00 0.82 H new ATOM 0 HG1 THR A 41 19.403 3.837 -20.601 1.00 0.65 H new ATOM 0 HG21 THR A 41 17.360 5.820 -19.135 1.00 0.89 H new ATOM 0 HG22 THR A 41 16.946 6.964 -20.434 1.00 0.89 H new ATOM 0 HG23 THR A 41 16.422 5.267 -20.543 1.00 0.89 H new ATOM 798 N GLY A 51 27.135 0.064 -16.073 1.00 0.70 N ATOM 799 CA GLY A 51 26.221 0.800 -17.006 1.00 0.68 C ATOM 800 C GLY A 51 25.374 -0.150 -17.838 1.00 0.69 C ATOM 801 O GLY A 51 24.169 0.028 -17.901 1.00 0.67 O ATOM 0 HA2 GLY A 51 25.570 1.458 -16.431 1.00 0.68 H new ATOM 0 HA3 GLY A 51 26.811 1.434 -17.668 1.00 0.68 H new ATOM 805 N LYS A 52 25.983 -1.132 -18.470 1.00 0.73 N ATOM 806 CA LYS A 52 25.128 -2.058 -19.259 1.00 0.71 C ATOM 807 C LYS A 52 24.227 -2.679 -18.197 1.00 0.39 C ATOM 808 O LYS A 52 23.046 -2.495 -18.336 1.00 0.27 O ATOM 809 CB LYS A 52 26.051 -3.055 -19.950 1.00 0.85 C ATOM 810 CG LYS A 52 26.751 -2.263 -21.086 1.00 0.69 C ATOM 811 CD LYS A 52 28.214 -2.645 -21.094 1.00 1.22 C ATOM 812 CE LYS A 52 28.403 -4.093 -21.583 1.00 1.92 C ATOM 813 NZ LYS A 52 28.965 -4.925 -20.480 1.00 3.03 N ATOM 0 H LYS A 52 26.985 -1.321 -18.472 1.00 0.73 H new ATOM 0 HA LYS A 52 24.526 -1.610 -20.049 1.00 0.71 H new ATOM 0 HB2 LYS A 52 26.780 -3.463 -19.250 1.00 0.85 H new ATOM 0 HB3 LYS A 52 25.487 -3.898 -20.350 1.00 0.85 H new ATOM 0 HG2 LYS A 52 26.293 -2.492 -22.048 1.00 0.69 H new ATOM 0 HG3 LYS A 52 26.639 -1.191 -20.927 1.00 0.69 H new ATOM 0 HD2 LYS A 52 28.768 -1.964 -21.740 1.00 1.22 H new ATOM 0 HD3 LYS A 52 28.627 -2.539 -20.091 1.00 1.22 H new ATOM 0 HE2 LYS A 52 27.448 -4.504 -21.912 1.00 1.92 H new ATOM 0 HE3 LYS A 52 29.072 -4.112 -22.444 1.00 1.92 H new ATOM 0 HZ1 LYS A 52 28.694 -5.919 -20.622 1.00 3.03 H new ATOM 0 HZ2 LYS A 52 30.002 -4.845 -20.479 1.00 3.03 H new ATOM 0 HZ3 LYS A 52 28.591 -4.591 -19.569 1.00 3.03 H new ATOM 827 N ALA A 53 24.746 -3.370 -17.207 1.00 0.30 N ATOM 828 CA ALA A 53 23.866 -3.964 -16.146 1.00 0.31 C ATOM 829 C ALA A 53 22.599 -3.159 -15.900 1.00 0.41 C ATOM 830 O ALA A 53 21.532 -3.710 -16.077 1.00 0.59 O ATOM 831 CB ALA A 53 24.688 -4.093 -14.866 1.00 0.28 C ATOM 0 H ALA A 53 25.743 -3.549 -17.088 1.00 0.30 H new ATOM 0 HA ALA A 53 23.526 -4.942 -16.487 1.00 0.31 H new ATOM 0 HB1 ALA A 53 24.070 -4.523 -14.078 1.00 0.28 H new ATOM 0 HB2 ALA A 53 25.546 -4.740 -15.048 1.00 0.28 H new ATOM 0 HB3 ALA A 53 25.036 -3.108 -14.556 1.00 0.28 H new ATOM 837 N LYS A 54 22.767 -1.920 -15.506 1.00 0.45 N ATOM 838 CA LYS A 54 21.535 -1.090 -15.276 1.00 0.64 C ATOM 839 C LYS A 54 20.712 -1.110 -16.544 1.00 0.45 C ATOM 840 O LYS A 54 19.566 -1.516 -16.521 1.00 0.47 O ATOM 841 CB LYS A 54 21.787 0.448 -14.996 1.00 0.94 C ATOM 842 CG LYS A 54 23.241 0.930 -15.137 1.00 1.01 C ATOM 843 CD LYS A 54 23.941 1.049 -13.815 1.00 0.70 C ATOM 844 CE LYS A 54 24.879 2.245 -13.735 1.00 1.60 C ATOM 845 NZ LYS A 54 24.173 3.289 -12.931 1.00 1.58 N ATOM 0 H LYS A 54 23.661 -1.459 -15.338 1.00 0.45 H new ATOM 0 HA LYS A 54 21.066 -1.529 -14.395 1.00 0.64 H new ATOM 0 HB2 LYS A 54 21.165 1.028 -15.678 1.00 0.94 H new ATOM 0 HB3 LYS A 54 21.447 0.673 -13.985 1.00 0.94 H new ATOM 0 HG2 LYS A 54 23.790 0.236 -15.773 1.00 1.01 H new ATOM 0 HG3 LYS A 54 23.252 1.898 -15.638 1.00 1.01 H new ATOM 0 HD2 LYS A 54 23.196 1.127 -13.023 1.00 0.70 H new ATOM 0 HD3 LYS A 54 24.509 0.138 -13.629 1.00 0.70 H new ATOM 0 HE2 LYS A 54 25.822 1.967 -13.265 1.00 1.60 H new ATOM 0 HE3 LYS A 54 25.117 2.618 -14.731 1.00 1.60 H new ATOM 0 HZ1 LYS A 54 24.778 4.131 -12.848 1.00 1.58 H new ATOM 0 HZ2 LYS A 54 23.283 3.547 -13.403 1.00 1.58 H new ATOM 0 HZ3 LYS A 54 23.967 2.916 -11.982 1.00 1.58 H new ATOM 859 N TRP A 55 21.314 -0.692 -17.626 1.00 0.32 N ATOM 860 CA TRP A 55 20.577 -0.673 -18.900 1.00 0.22 C ATOM 861 C TRP A 55 19.961 -2.051 -19.131 1.00 0.18 C ATOM 862 O TRP A 55 18.768 -2.192 -19.005 1.00 0.35 O ATOM 863 CB TRP A 55 21.584 -0.287 -19.977 1.00 0.43 C ATOM 864 CG TRP A 55 20.783 0.515 -20.971 1.00 0.46 C ATOM 865 CD1 TRP A 55 20.410 1.792 -20.749 1.00 0.48 C ATOM 866 CD2 TRP A 55 20.319 0.103 -22.157 1.00 0.52 C ATOM 867 NE1 TRP A 55 19.728 2.076 -21.834 1.00 0.57 N ATOM 868 CE2 TRP A 55 19.619 1.124 -22.745 1.00 0.63 C ATOM 869 CE3 TRP A 55 20.449 -1.113 -22.785 1.00 0.54 C ATOM 870 CZ2 TRP A 55 19.046 0.935 -23.976 1.00 0.78 C ATOM 871 CZ3 TRP A 55 19.875 -1.308 -24.023 1.00 0.70 C ATOM 872 CH2 TRP A 55 19.170 -0.278 -24.623 1.00 0.83 C ATOM 0 H TRP A 55 22.280 -0.367 -17.672 1.00 0.32 H new ATOM 0 HA TRP A 55 19.756 0.044 -18.908 1.00 0.22 H new ATOM 0 HB2 TRP A 55 22.404 0.299 -19.562 1.00 0.43 H new ATOM 0 HB3 TRP A 55 22.026 -1.168 -20.442 1.00 0.43 H new ATOM 0 HD1 TRP A 55 20.619 2.421 -19.896 1.00 0.48 H new ATOM 0 HE1 TRP A 55 19.300 2.992 -21.969 1.00 0.57 H new ATOM 0 HE3 TRP A 55 20.999 -1.912 -22.310 1.00 0.54 H new ATOM 0 HZ2 TRP A 55 18.495 1.739 -24.442 1.00 0.78 H new ATOM 0 HZ3 TRP A 55 19.975 -2.260 -24.523 1.00 0.70 H new ATOM 0 HH2 TRP A 55 18.719 -0.423 -25.593 1.00 0.83 H new ATOM 883 N ASP A 56 20.778 -3.009 -19.440 1.00 0.24 N ATOM 884 CA ASP A 56 20.368 -4.407 -19.695 1.00 0.47 C ATOM 885 C ASP A 56 19.234 -4.860 -18.773 1.00 0.50 C ATOM 886 O ASP A 56 18.117 -5.068 -19.213 1.00 0.65 O ATOM 887 CB ASP A 56 21.693 -5.176 -19.533 1.00 0.63 C ATOM 888 CG ASP A 56 22.288 -5.402 -20.883 1.00 0.77 C ATOM 889 OD1 ASP A 56 21.876 -6.288 -21.597 1.00 1.65 O ATOM 890 OD2 ASP A 56 23.180 -4.633 -21.177 1.00 0.47 O ATOM 0 H ASP A 56 21.784 -2.864 -19.531 1.00 0.24 H new ATOM 0 HA ASP A 56 19.926 -4.574 -20.677 1.00 0.47 H new ATOM 0 HB2 ASP A 56 22.383 -4.611 -18.907 1.00 0.63 H new ATOM 0 HB3 ASP A 56 21.517 -6.129 -19.034 1.00 0.63 H new ATOM 895 N ALA A 57 19.587 -4.981 -17.523 1.00 0.45 N ATOM 896 CA ALA A 57 18.643 -5.407 -16.461 1.00 0.62 C ATOM 897 C ALA A 57 17.265 -4.770 -16.660 1.00 0.50 C ATOM 898 O ALA A 57 16.245 -5.423 -16.720 1.00 0.50 O ATOM 899 CB ALA A 57 19.266 -4.993 -15.109 1.00 0.72 C ATOM 0 H ALA A 57 20.531 -4.793 -17.186 1.00 0.45 H new ATOM 0 HA ALA A 57 18.488 -6.485 -16.493 1.00 0.62 H new ATOM 0 HB1 ALA A 57 18.602 -5.288 -14.297 1.00 0.72 H new ATOM 0 HB2 ALA A 57 20.230 -5.486 -14.987 1.00 0.72 H new ATOM 0 HB3 ALA A 57 19.406 -3.912 -15.089 1.00 0.72 H new ATOM 905 N TRP A 58 17.288 -3.468 -16.766 1.00 0.42 N ATOM 906 CA TRP A 58 16.003 -2.709 -16.953 1.00 0.32 C ATOM 907 C TRP A 58 15.436 -2.929 -18.345 1.00 0.34 C ATOM 908 O TRP A 58 14.312 -3.355 -18.466 1.00 0.44 O ATOM 909 CB TRP A 58 16.300 -1.221 -16.668 1.00 0.26 C ATOM 910 CG TRP A 58 15.065 -0.374 -16.973 1.00 0.16 C ATOM 911 CD1 TRP A 58 13.765 -0.818 -17.038 1.00 0.15 C ATOM 912 CD2 TRP A 58 15.119 0.947 -17.246 1.00 0.07 C ATOM 913 NE1 TRP A 58 13.134 0.298 -17.358 1.00 0.07 N ATOM 914 CE2 TRP A 58 13.853 1.390 -17.499 1.00 0.04 C ATOM 915 CE3 TRP A 58 16.169 1.849 -17.301 1.00 0.07 C ATOM 916 CZ2 TRP A 58 13.608 2.703 -17.806 1.00 0.12 C ATOM 917 CZ3 TRP A 58 15.923 3.177 -17.612 1.00 0.10 C ATOM 918 CH2 TRP A 58 14.648 3.603 -17.864 1.00 0.15 C ATOM 0 H TRP A 58 18.131 -2.895 -16.732 1.00 0.42 H new ATOM 0 HA TRP A 58 15.238 -3.066 -16.263 1.00 0.32 H new ATOM 0 HB2 TRP A 58 16.591 -1.093 -15.625 1.00 0.26 H new ATOM 0 HB3 TRP A 58 17.140 -0.886 -17.276 1.00 0.26 H new ATOM 0 HD1 TRP A 58 13.368 -1.809 -16.873 1.00 0.15 H new ATOM 0 HE1 TRP A 58 12.123 0.312 -17.491 1.00 0.07 H new ATOM 0 HE3 TRP A 58 17.178 1.518 -17.102 1.00 0.07 H new ATOM 0 HZ2 TRP A 58 12.598 3.032 -18.003 1.00 0.12 H new ATOM 0 HZ3 TRP A 58 16.742 3.879 -17.656 1.00 0.10 H new ATOM 0 HH2 TRP A 58 14.458 4.638 -18.107 1.00 0.15 H new ATOM 929 N ASN A 59 16.191 -2.625 -19.347 1.00 0.31 N ATOM 930 CA ASN A 59 15.823 -2.785 -20.773 1.00 0.31 C ATOM 931 C ASN A 59 15.006 -4.082 -20.959 1.00 0.43 C ATOM 932 O ASN A 59 14.045 -4.116 -21.702 1.00 0.67 O ATOM 933 CB ASN A 59 17.178 -2.779 -21.472 1.00 0.35 C ATOM 934 CG ASN A 59 17.141 -2.788 -22.972 1.00 0.40 C ATOM 935 OD1 ASN A 59 16.438 -2.065 -23.641 1.00 0.20 O ATOM 936 ND2 ASN A 59 17.927 -3.626 -23.541 1.00 0.85 N ATOM 0 H ASN A 59 17.127 -2.240 -19.223 1.00 0.31 H new ATOM 0 HA ASN A 59 15.175 -2.009 -21.182 1.00 0.31 H new ATOM 0 HB2 ASN A 59 17.729 -1.897 -21.147 1.00 0.35 H new ATOM 0 HB3 ASN A 59 17.742 -3.649 -21.136 1.00 0.35 H new ATOM 0 HD21 ASN A 59 17.960 -3.684 -24.559 1.00 0.85 H new ATOM 0 HD22 ASN A 59 18.519 -4.235 -22.976 1.00 0.85 H new ATOM 943 N GLU A 60 15.427 -5.089 -20.235 1.00 0.43 N ATOM 944 CA GLU A 60 14.792 -6.442 -20.270 1.00 0.55 C ATOM 945 C GLU A 60 13.245 -6.412 -20.070 1.00 0.38 C ATOM 946 O GLU A 60 12.467 -7.156 -20.630 1.00 0.54 O ATOM 947 CB GLU A 60 15.550 -7.257 -19.168 1.00 0.71 C ATOM 948 CG GLU A 60 15.276 -8.789 -19.293 1.00 0.83 C ATOM 949 CD GLU A 60 15.987 -9.396 -20.513 1.00 0.93 C ATOM 950 OE1 GLU A 60 15.414 -9.225 -21.578 1.00 1.83 O ATOM 951 OE2 GLU A 60 17.040 -9.983 -20.301 1.00 1.67 O ATOM 0 H GLU A 60 16.218 -5.024 -19.595 1.00 0.43 H new ATOM 0 HA GLU A 60 14.887 -6.906 -21.252 1.00 0.55 H new ATOM 0 HB2 GLU A 60 16.621 -7.071 -19.250 1.00 0.71 H new ATOM 0 HB3 GLU A 60 15.240 -6.911 -18.182 1.00 0.71 H new ATOM 0 HG2 GLU A 60 15.612 -9.294 -18.387 1.00 0.83 H new ATOM 0 HG3 GLU A 60 14.203 -8.961 -19.374 1.00 0.83 H new ATOM 958 N LEU A 61 12.866 -5.494 -19.239 1.00 0.12 N ATOM 959 CA LEU A 61 11.474 -5.181 -18.803 1.00 0.23 C ATOM 960 C LEU A 61 10.662 -4.227 -19.669 1.00 0.41 C ATOM 961 O LEU A 61 9.446 -4.302 -19.687 1.00 0.54 O ATOM 962 CB LEU A 61 11.575 -4.593 -17.411 1.00 0.25 C ATOM 963 CG LEU A 61 12.564 -5.362 -16.554 1.00 0.23 C ATOM 964 CD1 LEU A 61 12.664 -4.689 -15.234 1.00 0.21 C ATOM 965 CD2 LEU A 61 12.184 -6.795 -16.470 1.00 0.24 C ATOM 0 H LEU A 61 13.546 -4.878 -18.794 1.00 0.12 H new ATOM 0 HA LEU A 61 10.928 -6.122 -18.871 1.00 0.23 H new ATOM 0 HB2 LEU A 61 11.883 -3.550 -17.477 1.00 0.25 H new ATOM 0 HB3 LEU A 61 10.594 -4.606 -16.937 1.00 0.25 H new ATOM 0 HG LEU A 61 13.557 -5.356 -17.004 1.00 0.23 H new ATOM 0 HD11 LEU A 61 13.371 -5.228 -14.603 1.00 0.21 H new ATOM 0 HD12 LEU A 61 13.010 -3.665 -15.373 1.00 0.21 H new ATOM 0 HD13 LEU A 61 11.685 -4.680 -14.755 1.00 0.21 H new ATOM 0 HD21 LEU A 61 12.906 -7.327 -15.851 1.00 0.24 H new ATOM 0 HD22 LEU A 61 11.192 -6.883 -16.027 1.00 0.24 H new ATOM 0 HD23 LEU A 61 12.174 -7.228 -17.470 1.00 0.24 H new ATOM 977 N LYS A 62 11.373 -3.356 -20.320 1.00 0.40 N ATOM 978 CA LYS A 62 10.790 -2.326 -21.224 1.00 0.55 C ATOM 979 C LYS A 62 9.445 -2.785 -21.851 1.00 0.90 C ATOM 980 O LYS A 62 9.318 -3.681 -22.663 1.00 2.22 O ATOM 981 CB LYS A 62 11.767 -2.051 -22.302 1.00 0.37 C ATOM 982 CG LYS A 62 11.270 -0.844 -23.152 1.00 0.34 C ATOM 983 CD LYS A 62 11.123 -1.144 -24.689 1.00 0.98 C ATOM 984 CE LYS A 62 10.183 -2.318 -25.090 1.00 2.50 C ATOM 985 NZ LYS A 62 8.769 -2.076 -24.650 1.00 3.55 N ATOM 0 H LYS A 62 12.390 -3.314 -20.259 1.00 0.40 H new ATOM 0 HA LYS A 62 10.583 -1.431 -20.638 1.00 0.55 H new ATOM 0 HB2 LYS A 62 12.745 -1.831 -21.874 1.00 0.37 H new ATOM 0 HB3 LYS A 62 11.886 -2.931 -22.934 1.00 0.37 H new ATOM 0 HG2 LYS A 62 10.305 -0.516 -22.765 1.00 0.34 H new ATOM 0 HG3 LYS A 62 11.964 -0.014 -23.022 1.00 0.34 H new ATOM 0 HD2 LYS A 62 10.763 -0.239 -25.179 1.00 0.98 H new ATOM 0 HD3 LYS A 62 12.115 -1.351 -25.091 1.00 0.98 H new ATOM 0 HE2 LYS A 62 10.209 -2.451 -26.172 1.00 2.50 H new ATOM 0 HE3 LYS A 62 10.548 -3.244 -24.646 1.00 2.50 H new ATOM 0 HZ1 LYS A 62 8.461 -2.852 -24.030 1.00 3.55 H new ATOM 0 HZ2 LYS A 62 8.716 -1.176 -24.132 1.00 3.55 H new ATOM 0 HZ3 LYS A 62 8.149 -2.032 -25.484 1.00 3.55 H new ATOM 999 N GLY A 63 8.474 -2.081 -21.433 1.00 0.55 N ATOM 1000 CA GLY A 63 7.037 -2.288 -21.839 1.00 0.56 C ATOM 1001 C GLY A 63 6.242 -2.825 -20.654 1.00 0.67 C ATOM 1002 O GLY A 63 5.068 -3.110 -20.770 1.00 0.95 O ATOM 0 H GLY A 63 8.598 -1.308 -20.779 1.00 0.55 H new ATOM 0 HA2 GLY A 63 6.607 -1.347 -22.182 1.00 0.56 H new ATOM 0 HA3 GLY A 63 6.982 -2.987 -22.674 1.00 0.56 H new ATOM 1006 N THR A 64 6.912 -2.948 -19.543 1.00 0.47 N ATOM 1007 CA THR A 64 6.214 -3.466 -18.322 1.00 0.54 C ATOM 1008 C THR A 64 5.458 -2.341 -17.644 1.00 0.62 C ATOM 1009 O THR A 64 5.622 -1.174 -17.951 1.00 0.64 O ATOM 1010 CB THR A 64 7.261 -4.053 -17.346 1.00 0.47 C ATOM 1011 OG1 THR A 64 7.569 -5.307 -17.912 1.00 0.56 O ATOM 1012 CG2 THR A 64 6.744 -4.417 -15.929 1.00 0.40 C ATOM 0 H THR A 64 7.898 -2.718 -19.422 1.00 0.47 H new ATOM 0 HA THR A 64 5.507 -4.244 -18.611 1.00 0.54 H new ATOM 0 HB THR A 64 8.050 -3.311 -17.227 1.00 0.47 H new ATOM 0 HG1 THR A 64 8.250 -5.194 -18.607 1.00 0.56 H new ATOM 0 HG21 THR A 64 7.565 -4.818 -15.334 1.00 0.40 H new ATOM 0 HG22 THR A 64 6.349 -3.524 -15.445 1.00 0.40 H new ATOM 0 HG23 THR A 64 5.955 -5.165 -16.010 1.00 0.40 H new ATOM 1020 N SER A 65 4.655 -2.797 -16.725 1.00 0.62 N ATOM 1021 CA SER A 65 3.775 -1.960 -15.871 1.00 0.55 C ATOM 1022 C SER A 65 4.489 -1.662 -14.547 1.00 0.52 C ATOM 1023 O SER A 65 5.069 -2.495 -13.871 1.00 0.49 O ATOM 1024 CB SER A 65 2.491 -2.716 -15.565 1.00 0.45 C ATOM 1025 OG SER A 65 3.010 -3.969 -15.110 1.00 0.70 O ATOM 0 H SER A 65 4.572 -3.793 -16.521 1.00 0.62 H new ATOM 0 HA SER A 65 3.546 -1.032 -16.395 1.00 0.55 H new ATOM 0 HB2 SER A 65 1.891 -2.218 -14.803 1.00 0.45 H new ATOM 0 HB3 SER A 65 1.859 -2.828 -16.446 1.00 0.45 H new ATOM 0 HG SER A 65 2.336 -4.422 -14.561 1.00 0.70 H new ATOM 1031 N LYS A 66 4.400 -0.413 -14.224 1.00 0.58 N ATOM 1032 CA LYS A 66 5.015 0.121 -12.981 1.00 0.56 C ATOM 1033 C LYS A 66 4.821 -0.761 -11.715 1.00 0.43 C ATOM 1034 O LYS A 66 5.666 -0.961 -10.858 1.00 0.46 O ATOM 1035 CB LYS A 66 4.419 1.515 -12.790 1.00 0.62 C ATOM 1036 CG LYS A 66 4.979 2.484 -13.877 1.00 0.77 C ATOM 1037 CD LYS A 66 4.573 3.928 -13.481 1.00 1.19 C ATOM 1038 CE LYS A 66 5.000 5.002 -14.510 1.00 1.10 C ATOM 1039 NZ LYS A 66 6.454 4.846 -14.793 1.00 0.87 N ATOM 0 H LYS A 66 3.912 0.285 -14.785 1.00 0.58 H new ATOM 0 HA LYS A 66 6.098 0.138 -13.101 1.00 0.56 H new ATOM 0 HB2 LYS A 66 3.332 1.468 -12.857 1.00 0.62 H new ATOM 0 HB3 LYS A 66 4.661 1.891 -11.796 1.00 0.62 H new ATOM 0 HG2 LYS A 66 6.063 2.397 -13.944 1.00 0.77 H new ATOM 0 HG3 LYS A 66 4.578 2.230 -14.858 1.00 0.77 H new ATOM 0 HD2 LYS A 66 3.491 3.969 -13.355 1.00 1.19 H new ATOM 0 HD3 LYS A 66 5.016 4.168 -12.515 1.00 1.19 H new ATOM 0 HE2 LYS A 66 4.423 4.895 -15.429 1.00 1.10 H new ATOM 0 HE3 LYS A 66 4.796 6.000 -14.121 1.00 1.10 H new ATOM 0 HZ1 LYS A 66 6.625 4.973 -15.811 1.00 0.87 H new ATOM 0 HZ2 LYS A 66 6.990 5.560 -14.260 1.00 0.87 H new ATOM 0 HZ3 LYS A 66 6.763 3.895 -14.506 1.00 0.87 H new ATOM 1053 N GLU A 67 3.646 -1.282 -11.687 1.00 0.32 N ATOM 1054 CA GLU A 67 3.162 -2.153 -10.598 1.00 0.32 C ATOM 1055 C GLU A 67 3.832 -3.513 -10.591 1.00 0.33 C ATOM 1056 O GLU A 67 4.414 -3.859 -9.575 1.00 0.29 O ATOM 1057 CB GLU A 67 1.653 -2.198 -10.794 1.00 0.35 C ATOM 1058 CG GLU A 67 1.104 -0.741 -10.495 1.00 0.51 C ATOM 1059 CD GLU A 67 1.324 0.214 -11.669 1.00 1.45 C ATOM 1060 OE1 GLU A 67 1.416 -0.227 -12.804 1.00 2.63 O ATOM 1061 OE2 GLU A 67 1.392 1.373 -11.315 1.00 1.63 O ATOM 0 H GLU A 67 2.955 -1.130 -12.422 1.00 0.32 H new ATOM 0 HA GLU A 67 3.416 -1.767 -9.611 1.00 0.32 H new ATOM 0 HB2 GLU A 67 1.405 -2.503 -11.811 1.00 0.35 H new ATOM 0 HB3 GLU A 67 1.198 -2.927 -10.123 1.00 0.35 H new ATOM 0 HG2 GLU A 67 0.039 -0.796 -10.269 1.00 0.51 H new ATOM 0 HG3 GLU A 67 1.598 -0.344 -9.609 1.00 0.51 H new ATOM 1068 N ASP A 68 3.783 -4.284 -11.644 1.00 0.37 N ATOM 1069 CA ASP A 68 4.469 -5.599 -11.585 1.00 0.35 C ATOM 1070 C ASP A 68 5.916 -5.360 -11.217 1.00 0.37 C ATOM 1071 O ASP A 68 6.528 -6.055 -10.427 1.00 0.36 O ATOM 1072 CB ASP A 68 4.215 -6.162 -12.948 1.00 0.40 C ATOM 1073 CG ASP A 68 2.793 -6.668 -12.881 1.00 0.48 C ATOM 1074 OD1 ASP A 68 2.615 -7.645 -12.175 1.00 0.55 O ATOM 1075 OD2 ASP A 68 1.992 -6.020 -13.536 1.00 1.17 O ATOM 0 H ASP A 68 3.309 -4.065 -12.520 1.00 0.37 H new ATOM 0 HA ASP A 68 4.123 -6.309 -10.833 1.00 0.35 H new ATOM 0 HB2 ASP A 68 4.331 -5.402 -13.721 1.00 0.40 H new ATOM 0 HB3 ASP A 68 4.913 -6.965 -13.183 1.00 0.40 H new ATOM 1080 N ALA A 69 6.426 -4.335 -11.824 1.00 0.40 N ATOM 1081 CA ALA A 69 7.838 -3.955 -11.556 1.00 0.40 C ATOM 1082 C ALA A 69 7.940 -3.856 -10.014 1.00 0.32 C ATOM 1083 O ALA A 69 8.757 -4.547 -9.440 1.00 0.36 O ATOM 1084 CB ALA A 69 8.088 -2.629 -12.257 1.00 0.45 C ATOM 0 H ALA A 69 5.932 -3.744 -12.492 1.00 0.40 H new ATOM 0 HA ALA A 69 8.584 -4.660 -11.923 1.00 0.40 H new ATOM 0 HB1 ALA A 69 9.117 -2.314 -12.084 1.00 0.45 H new ATOM 0 HB2 ALA A 69 7.919 -2.746 -13.328 1.00 0.45 H new ATOM 0 HB3 ALA A 69 7.407 -1.875 -11.863 1.00 0.45 H new ATOM 1090 N MET A 70 7.135 -3.032 -9.385 1.00 0.25 N ATOM 1091 CA MET A 70 7.195 -2.917 -7.895 1.00 0.14 C ATOM 1092 C MET A 70 7.250 -4.240 -7.130 1.00 0.11 C ATOM 1093 O MET A 70 8.133 -4.404 -6.316 1.00 0.11 O ATOM 1094 CB MET A 70 5.969 -2.197 -7.285 1.00 0.11 C ATOM 1095 CG MET A 70 5.841 -0.747 -7.643 1.00 0.28 C ATOM 1096 SD MET A 70 4.683 0.128 -6.564 1.00 0.67 S ATOM 1097 CE MET A 70 4.545 1.564 -7.642 1.00 0.50 C ATOM 0 H MET A 70 6.442 -2.437 -9.838 1.00 0.25 H new ATOM 0 HA MET A 70 8.125 -2.361 -7.776 1.00 0.14 H new ATOM 0 HB2 MET A 70 5.066 -2.716 -7.606 1.00 0.11 H new ATOM 0 HB3 MET A 70 6.018 -2.284 -6.200 1.00 0.11 H new ATOM 0 HG2 MET A 70 6.820 -0.272 -7.582 1.00 0.28 H new ATOM 0 HG3 MET A 70 5.508 -0.659 -8.677 1.00 0.28 H new ATOM 0 HE1 MET A 70 3.863 2.289 -7.197 1.00 0.50 H new ATOM 0 HE2 MET A 70 5.527 2.020 -7.769 1.00 0.50 H new ATOM 0 HE3 MET A 70 4.161 1.254 -8.614 1.00 0.50 H new ATOM 1107 N LYS A 71 6.304 -5.095 -7.442 1.00 0.14 N ATOM 1108 CA LYS A 71 6.158 -6.440 -6.800 1.00 0.18 C ATOM 1109 C LYS A 71 7.481 -7.048 -6.448 1.00 0.16 C ATOM 1110 O LYS A 71 7.772 -7.388 -5.320 1.00 0.15 O ATOM 1111 CB LYS A 71 5.351 -7.301 -7.801 1.00 0.24 C ATOM 1112 CG LYS A 71 6.032 -8.340 -8.679 1.00 2.33 C ATOM 1113 CD LYS A 71 6.625 -9.567 -7.915 1.00 3.19 C ATOM 1114 CE LYS A 71 5.639 -10.157 -6.931 1.00 2.75 C ATOM 1115 NZ LYS A 71 4.436 -10.589 -7.713 1.00 2.27 N ATOM 0 H LYS A 71 5.595 -4.903 -8.150 1.00 0.14 H new ATOM 0 HA LYS A 71 5.637 -6.367 -5.846 1.00 0.18 H new ATOM 0 HB2 LYS A 71 4.586 -7.823 -7.226 1.00 0.24 H new ATOM 0 HB3 LYS A 71 4.834 -6.611 -8.468 1.00 0.24 H new ATOM 0 HG2 LYS A 71 5.311 -8.702 -9.412 1.00 2.33 H new ATOM 0 HG3 LYS A 71 6.835 -7.854 -9.234 1.00 2.33 H new ATOM 0 HD2 LYS A 71 6.921 -10.332 -8.633 1.00 3.19 H new ATOM 0 HD3 LYS A 71 7.527 -9.262 -7.384 1.00 3.19 H new ATOM 0 HE2 LYS A 71 6.080 -11.004 -6.405 1.00 2.75 H new ATOM 0 HE3 LYS A 71 5.363 -9.421 -6.175 1.00 2.75 H new ATOM 0 HZ1 LYS A 71 3.851 -11.220 -7.129 1.00 2.27 H new ATOM 0 HZ2 LYS A 71 3.880 -9.753 -7.984 1.00 2.27 H new ATOM 0 HZ3 LYS A 71 4.742 -11.094 -8.569 1.00 2.27 H new ATOM 1129 N ALA A 72 8.220 -7.114 -7.507 1.00 0.23 N ATOM 1130 CA ALA A 72 9.571 -7.689 -7.444 1.00 0.35 C ATOM 1131 C ALA A 72 10.573 -6.629 -6.965 1.00 0.31 C ATOM 1132 O ALA A 72 11.386 -6.939 -6.117 1.00 0.32 O ATOM 1133 CB ALA A 72 9.825 -8.221 -8.856 1.00 0.45 C ATOM 0 H ALA A 72 7.936 -6.786 -8.430 1.00 0.23 H new ATOM 0 HA ALA A 72 9.682 -8.499 -6.723 1.00 0.35 H new ATOM 0 HB1 ALA A 72 10.817 -8.671 -8.902 1.00 0.45 H new ATOM 0 HB2 ALA A 72 9.074 -8.972 -9.102 1.00 0.45 H new ATOM 0 HB3 ALA A 72 9.765 -7.400 -9.570 1.00 0.45 H new ATOM 1139 N TYR A 73 10.521 -5.431 -7.485 1.00 0.28 N ATOM 1140 CA TYR A 73 11.480 -4.392 -7.015 1.00 0.24 C ATOM 1141 C TYR A 73 11.683 -4.456 -5.492 1.00 0.20 C ATOM 1142 O TYR A 73 12.759 -4.655 -4.955 1.00 0.24 O ATOM 1143 CB TYR A 73 10.952 -3.007 -7.338 1.00 0.19 C ATOM 1144 CG TYR A 73 11.915 -2.068 -6.628 1.00 0.11 C ATOM 1145 CD1 TYR A 73 13.220 -1.998 -7.064 1.00 1.61 C ATOM 1146 CD2 TYR A 73 11.497 -1.312 -5.548 1.00 1.74 C ATOM 1147 CE1 TYR A 73 14.095 -1.179 -6.428 1.00 1.59 C ATOM 1148 CE2 TYR A 73 12.392 -0.493 -4.929 1.00 1.74 C ATOM 1149 CZ TYR A 73 13.676 -0.447 -5.384 1.00 0.19 C ATOM 1150 OH TYR A 73 14.621 0.327 -4.800 1.00 0.32 O ATOM 0 H TYR A 73 9.865 -5.131 -8.206 1.00 0.28 H new ATOM 0 HA TYR A 73 12.425 -4.583 -7.523 1.00 0.24 H new ATOM 0 HB2 TYR A 73 10.939 -2.826 -8.413 1.00 0.19 H new ATOM 0 HB3 TYR A 73 9.931 -2.876 -6.980 1.00 0.19 H new ATOM 0 HD1 TYR A 73 13.544 -2.591 -7.906 1.00 1.61 H new ATOM 0 HD2 TYR A 73 10.476 -1.370 -5.201 1.00 1.74 H new ATOM 0 HE1 TYR A 73 15.121 -1.117 -6.759 1.00 1.59 H new ATOM 0 HE2 TYR A 73 12.088 0.113 -4.088 1.00 1.74 H new ATOM 0 HH TYR A 73 14.977 0.960 -5.458 1.00 0.32 H new ATOM 1160 N ILE A 74 10.542 -4.267 -4.885 1.00 0.15 N ATOM 1161 CA ILE A 74 10.428 -4.258 -3.419 1.00 0.21 C ATOM 1162 C ILE A 74 11.075 -5.529 -2.911 1.00 0.32 C ATOM 1163 O ILE A 74 12.105 -5.456 -2.297 1.00 0.44 O ATOM 1164 CB ILE A 74 8.972 -4.205 -3.059 1.00 0.21 C ATOM 1165 CG1 ILE A 74 8.324 -2.962 -3.649 1.00 0.18 C ATOM 1166 CG2 ILE A 74 8.961 -4.047 -1.540 1.00 0.27 C ATOM 1167 CD1 ILE A 74 6.815 -3.133 -3.537 1.00 0.22 C ATOM 0 H ILE A 74 9.660 -4.114 -5.373 1.00 0.15 H new ATOM 0 HA ILE A 74 10.923 -3.396 -2.971 1.00 0.21 H new ATOM 0 HB ILE A 74 8.439 -5.084 -3.423 1.00 0.21 H new ATOM 0 HG12 ILE A 74 8.649 -2.070 -3.114 1.00 0.18 H new ATOM 0 HG13 ILE A 74 8.619 -2.834 -4.691 1.00 0.18 H new ATOM 0 HG21 ILE A 74 7.931 -3.999 -1.187 1.00 0.27 H new ATOM 0 HG22 ILE A 74 9.463 -4.899 -1.082 1.00 0.27 H new ATOM 0 HG23 ILE A 74 9.482 -3.129 -1.266 1.00 0.27 H new ATOM 0 HD11 ILE A 74 6.318 -2.256 -3.952 1.00 0.22 H new ATOM 0 HD12 ILE A 74 6.507 -4.021 -4.090 1.00 0.22 H new ATOM 0 HD13 ILE A 74 6.538 -3.244 -2.489 1.00 0.22 H new ATOM 1179 N ASP A 75 10.489 -6.664 -3.160 1.00 0.28 N ATOM 1180 CA ASP A 75 11.089 -7.948 -2.697 1.00 0.38 C ATOM 1181 C ASP A 75 12.628 -7.929 -2.733 1.00 0.30 C ATOM 1182 O ASP A 75 13.338 -8.293 -1.812 1.00 0.27 O ATOM 1183 CB ASP A 75 10.475 -8.973 -3.616 1.00 0.50 C ATOM 1184 CG ASP A 75 9.318 -9.770 -3.040 1.00 0.77 C ATOM 1185 OD1 ASP A 75 9.124 -9.796 -1.836 1.00 0.75 O ATOM 1186 OD2 ASP A 75 8.685 -10.329 -3.919 1.00 1.80 O ATOM 0 H ASP A 75 9.611 -6.760 -3.670 1.00 0.28 H new ATOM 0 HA ASP A 75 10.878 -8.163 -1.649 1.00 0.38 H new ATOM 0 HB2 ASP A 75 10.129 -8.465 -4.516 1.00 0.50 H new ATOM 0 HB3 ASP A 75 11.254 -9.670 -3.923 1.00 0.50 H new ATOM 1191 N LYS A 76 13.109 -7.461 -3.847 1.00 0.32 N ATOM 1192 CA LYS A 76 14.597 -7.400 -4.003 1.00 0.28 C ATOM 1193 C LYS A 76 15.179 -6.363 -3.037 1.00 0.22 C ATOM 1194 O LYS A 76 16.217 -6.580 -2.436 1.00 0.24 O ATOM 1195 CB LYS A 76 14.890 -7.091 -5.481 1.00 0.31 C ATOM 1196 CG LYS A 76 16.301 -7.673 -5.745 1.00 0.37 C ATOM 1197 CD LYS A 76 16.140 -9.211 -5.870 1.00 0.34 C ATOM 1198 CE LYS A 76 17.477 -9.868 -6.120 1.00 0.92 C ATOM 1199 NZ LYS A 76 17.298 -11.308 -5.779 1.00 1.25 N ATOM 0 H LYS A 76 12.561 -7.125 -4.639 1.00 0.32 H new ATOM 0 HA LYS A 76 15.075 -8.346 -3.747 1.00 0.28 H new ATOM 0 HB2 LYS A 76 14.147 -7.549 -6.134 1.00 0.31 H new ATOM 0 HB3 LYS A 76 14.864 -6.018 -5.672 1.00 0.31 H new ATOM 0 HG2 LYS A 76 16.727 -7.254 -6.657 1.00 0.37 H new ATOM 0 HG3 LYS A 76 16.981 -7.421 -4.931 1.00 0.37 H new ATOM 0 HD2 LYS A 76 15.697 -9.611 -4.958 1.00 0.34 H new ATOM 0 HD3 LYS A 76 15.456 -9.445 -6.685 1.00 0.34 H new ATOM 0 HE2 LYS A 76 17.782 -9.748 -7.160 1.00 0.92 H new ATOM 0 HE3 LYS A 76 18.255 -9.415 -5.505 1.00 0.92 H new ATOM 0 HZ1 LYS A 76 18.031 -11.598 -5.101 1.00 1.25 H new ATOM 0 HZ2 LYS A 76 16.359 -11.450 -5.355 1.00 1.25 H new ATOM 0 HZ3 LYS A 76 17.379 -11.882 -6.643 1.00 1.25 H new ATOM 1213 N VAL A 77 14.525 -5.253 -2.892 1.00 0.15 N ATOM 1214 CA VAL A 77 15.069 -4.245 -1.939 1.00 0.10 C ATOM 1215 C VAL A 77 14.953 -4.958 -0.573 1.00 0.16 C ATOM 1216 O VAL A 77 15.889 -4.876 0.190 1.00 0.14 O ATOM 1217 CB VAL A 77 14.225 -2.991 -1.922 1.00 0.07 C ATOM 1218 CG1 VAL A 77 14.776 -2.057 -0.819 1.00 0.12 C ATOM 1219 CG2 VAL A 77 14.371 -2.257 -3.252 1.00 0.04 C ATOM 0 H VAL A 77 13.662 -4.999 -3.373 1.00 0.15 H new ATOM 0 HA VAL A 77 16.081 -3.933 -2.198 1.00 0.10 H new ATOM 0 HB VAL A 77 13.182 -3.255 -1.747 1.00 0.07 H new ATOM 0 HG11 VAL A 77 14.183 -1.143 -0.786 1.00 0.12 H new ATOM 0 HG12 VAL A 77 14.720 -2.561 0.146 1.00 0.12 H new ATOM 0 HG13 VAL A 77 15.814 -1.808 -1.038 1.00 0.12 H new ATOM 0 HG21 VAL A 77 13.762 -1.353 -3.238 1.00 0.04 H new ATOM 0 HG22 VAL A 77 15.416 -1.988 -3.406 1.00 0.04 H new ATOM 0 HG23 VAL A 77 14.040 -2.905 -4.063 1.00 0.04 H new ATOM 1229 N GLU A 78 13.854 -5.628 -0.275 1.00 0.25 N ATOM 1230 CA GLU A 78 13.704 -6.339 1.029 1.00 0.29 C ATOM 1231 C GLU A 78 14.932 -7.209 1.167 1.00 0.33 C ATOM 1232 O GLU A 78 15.569 -7.182 2.205 1.00 0.36 O ATOM 1233 CB GLU A 78 12.371 -7.145 1.002 1.00 0.30 C ATOM 1234 CG GLU A 78 11.374 -6.427 2.028 1.00 0.20 C ATOM 1235 CD GLU A 78 11.221 -4.928 1.688 1.00 1.63 C ATOM 1236 OE1 GLU A 78 11.429 -4.626 0.525 1.00 3.00 O ATOM 1237 OE2 GLU A 78 10.909 -4.182 2.600 1.00 1.87 O ATOM 0 H GLU A 78 13.048 -5.708 -0.895 1.00 0.25 H new ATOM 0 HA GLU A 78 13.642 -5.674 1.891 1.00 0.29 H new ATOM 0 HB2 GLU A 78 11.948 -7.158 -0.002 1.00 0.30 H new ATOM 0 HB3 GLU A 78 12.541 -8.182 1.290 1.00 0.30 H new ATOM 0 HG2 GLU A 78 10.399 -6.913 1.995 1.00 0.20 H new ATOM 0 HG3 GLU A 78 11.751 -6.537 3.045 1.00 0.20 H new ATOM 1244 N GLU A 79 15.264 -7.971 0.164 1.00 0.33 N ATOM 1245 CA GLU A 79 16.490 -8.810 0.285 1.00 0.33 C ATOM 1246 C GLU A 79 17.650 -7.890 0.768 1.00 0.21 C ATOM 1247 O GLU A 79 18.257 -8.045 1.811 1.00 0.18 O ATOM 1248 CB GLU A 79 16.898 -9.341 -1.037 1.00 0.35 C ATOM 1249 CG GLU A 79 16.049 -10.458 -1.629 1.00 0.76 C ATOM 1250 CD GLU A 79 16.695 -10.917 -2.950 1.00 1.60 C ATOM 1251 OE1 GLU A 79 17.781 -10.475 -3.311 1.00 2.30 O ATOM 1252 OE2 GLU A 79 16.060 -11.733 -3.587 1.00 2.12 O ATOM 0 H GLU A 79 14.754 -8.050 -0.716 1.00 0.33 H new ATOM 0 HA GLU A 79 16.286 -9.632 0.971 1.00 0.33 H new ATOM 0 HB2 GLU A 79 16.909 -8.513 -1.745 1.00 0.35 H new ATOM 0 HB3 GLU A 79 17.923 -9.703 -0.954 1.00 0.35 H new ATOM 0 HG2 GLU A 79 15.981 -11.292 -0.931 1.00 0.76 H new ATOM 0 HG3 GLU A 79 15.032 -10.107 -1.807 1.00 0.76 H new ATOM 1259 N LEU A 80 17.940 -6.919 -0.059 1.00 0.20 N ATOM 1260 CA LEU A 80 19.040 -5.963 0.280 1.00 0.17 C ATOM 1261 C LEU A 80 19.012 -5.431 1.691 1.00 0.26 C ATOM 1262 O LEU A 80 19.947 -5.545 2.452 1.00 0.31 O ATOM 1263 CB LEU A 80 18.964 -4.829 -0.691 1.00 0.19 C ATOM 1264 CG LEU A 80 19.419 -5.298 -2.058 1.00 0.15 C ATOM 1265 CD1 LEU A 80 19.457 -4.102 -2.948 1.00 0.28 C ATOM 1266 CD2 LEU A 80 20.801 -5.942 -1.922 1.00 0.19 C ATOM 0 H LEU A 80 17.469 -6.746 -0.947 1.00 0.20 H new ATOM 0 HA LEU A 80 19.978 -6.514 0.211 1.00 0.17 H new ATOM 0 HB2 LEU A 80 17.943 -4.452 -0.746 1.00 0.19 H new ATOM 0 HB3 LEU A 80 19.590 -4.004 -0.352 1.00 0.19 H new ATOM 0 HG LEU A 80 18.744 -6.041 -2.482 1.00 0.15 H new ATOM 0 HD11 LEU A 80 19.781 -4.400 -3.945 1.00 0.28 H new ATOM 0 HD12 LEU A 80 18.462 -3.661 -3.007 1.00 0.28 H new ATOM 0 HD13 LEU A 80 20.155 -3.369 -2.543 1.00 0.28 H new ATOM 0 HD21 LEU A 80 21.141 -6.284 -2.900 1.00 0.19 H new ATOM 0 HD22 LEU A 80 21.506 -5.210 -1.529 1.00 0.19 H new ATOM 0 HD23 LEU A 80 20.741 -6.791 -1.241 1.00 0.19 H new ATOM 1278 N LYS A 81 17.909 -4.834 1.986 1.00 0.33 N ATOM 1279 CA LYS A 81 17.606 -4.224 3.306 1.00 0.46 C ATOM 1280 C LYS A 81 18.229 -5.048 4.425 1.00 0.51 C ATOM 1281 O LYS A 81 18.827 -4.530 5.343 1.00 0.53 O ATOM 1282 CB LYS A 81 16.109 -4.189 3.448 1.00 0.52 C ATOM 1283 CG LYS A 81 15.709 -3.486 4.737 1.00 0.58 C ATOM 1284 CD LYS A 81 14.178 -3.251 4.804 1.00 0.93 C ATOM 1285 CE LYS A 81 13.743 -2.635 6.162 1.00 0.64 C ATOM 1286 NZ LYS A 81 14.605 -1.461 6.489 1.00 0.90 N ATOM 0 H LYS A 81 17.145 -4.735 1.317 1.00 0.33 H new ATOM 0 HA LYS A 81 18.020 -3.218 3.370 1.00 0.46 H new ATOM 0 HB2 LYS A 81 15.669 -3.673 2.595 1.00 0.52 H new ATOM 0 HB3 LYS A 81 15.714 -5.205 3.444 1.00 0.52 H new ATOM 0 HG2 LYS A 81 16.024 -4.084 5.592 1.00 0.58 H new ATOM 0 HG3 LYS A 81 16.228 -2.530 4.808 1.00 0.58 H new ATOM 0 HD2 LYS A 81 13.877 -2.589 3.992 1.00 0.93 H new ATOM 0 HD3 LYS A 81 13.659 -4.197 4.652 1.00 0.93 H new ATOM 0 HE2 LYS A 81 12.698 -2.327 6.113 1.00 0.64 H new ATOM 0 HE3 LYS A 81 13.819 -3.383 6.951 1.00 0.64 H new ATOM 0 HZ1 LYS A 81 15.248 -1.708 7.268 1.00 0.90 H new ATOM 0 HZ2 LYS A 81 15.162 -1.196 5.652 1.00 0.90 H new ATOM 0 HZ3 LYS A 81 14.007 -0.660 6.775 1.00 0.90 H new ATOM 1300 N LYS A 82 18.022 -6.323 4.228 1.00 0.59 N ATOM 1301 CA LYS A 82 18.488 -7.389 5.131 1.00 0.67 C ATOM 1302 C LYS A 82 19.949 -7.773 4.955 1.00 0.63 C ATOM 1303 O LYS A 82 20.699 -7.937 5.892 1.00 0.75 O ATOM 1304 CB LYS A 82 17.613 -8.571 4.871 1.00 0.69 C ATOM 1305 CG LYS A 82 16.125 -8.209 5.139 1.00 1.08 C ATOM 1306 CD LYS A 82 15.202 -9.362 4.658 1.00 1.23 C ATOM 1307 CE LYS A 82 15.693 -10.730 5.139 1.00 1.02 C ATOM 1308 NZ LYS A 82 15.749 -10.690 6.634 1.00 2.73 N ATOM 0 H LYS A 82 17.513 -6.678 3.419 1.00 0.59 H new ATOM 0 HA LYS A 82 18.422 -7.025 6.156 1.00 0.67 H new ATOM 0 HB2 LYS A 82 17.734 -8.902 3.839 1.00 0.69 H new ATOM 0 HB3 LYS A 82 17.913 -9.402 5.510 1.00 0.69 H new ATOM 0 HG2 LYS A 82 15.972 -8.030 6.203 1.00 1.08 H new ATOM 0 HG3 LYS A 82 15.868 -7.286 4.620 1.00 1.08 H new ATOM 0 HD2 LYS A 82 14.189 -9.192 5.023 1.00 1.23 H new ATOM 0 HD3 LYS A 82 15.153 -9.357 3.569 1.00 1.23 H new ATOM 0 HE2 LYS A 82 15.020 -11.519 4.802 1.00 1.02 H new ATOM 0 HE3 LYS A 82 16.677 -10.951 4.725 1.00 1.02 H new ATOM 0 HZ1 LYS A 82 15.410 -11.595 7.018 1.00 2.73 H new ATOM 0 HZ2 LYS A 82 16.730 -10.529 6.940 1.00 2.73 H new ATOM 0 HZ3 LYS A 82 15.146 -9.918 6.983 1.00 2.73 H new ATOM 1322 N LYS A 83 20.284 -7.941 3.718 1.00 0.49 N ATOM 1323 CA LYS A 83 21.662 -8.316 3.301 1.00 0.45 C ATOM 1324 C LYS A 83 22.689 -7.322 3.820 1.00 0.49 C ATOM 1325 O LYS A 83 23.658 -7.667 4.465 1.00 0.64 O ATOM 1326 CB LYS A 83 21.721 -8.335 1.797 1.00 0.27 C ATOM 1327 CG LYS A 83 21.007 -9.556 1.251 1.00 0.09 C ATOM 1328 CD LYS A 83 20.564 -9.249 -0.190 1.00 0.03 C ATOM 1329 CE LYS A 83 20.194 -10.588 -0.834 1.00 0.13 C ATOM 1330 NZ LYS A 83 21.446 -11.223 -1.362 1.00 1.20 N ATOM 0 H LYS A 83 19.633 -7.830 2.940 1.00 0.49 H new ATOM 0 HA LYS A 83 21.894 -9.297 3.716 1.00 0.45 H new ATOM 0 HB2 LYS A 83 21.263 -7.430 1.398 1.00 0.27 H new ATOM 0 HB3 LYS A 83 22.760 -8.337 1.468 1.00 0.27 H new ATOM 0 HG2 LYS A 83 21.668 -10.423 1.269 1.00 0.09 H new ATOM 0 HG3 LYS A 83 20.144 -9.800 1.870 1.00 0.09 H new ATOM 0 HD2 LYS A 83 19.712 -8.569 -0.196 1.00 0.03 H new ATOM 0 HD3 LYS A 83 21.365 -8.761 -0.745 1.00 0.03 H new ATOM 0 HE2 LYS A 83 19.717 -11.241 -0.103 1.00 0.13 H new ATOM 0 HE3 LYS A 83 19.477 -10.435 -1.641 1.00 0.13 H new ATOM 0 HZ1 LYS A 83 21.326 -11.440 -2.372 1.00 1.20 H new ATOM 0 HZ2 LYS A 83 22.245 -10.568 -1.241 1.00 1.20 H new ATOM 0 HZ3 LYS A 83 21.636 -12.102 -0.840 1.00 1.20 H new ATOM 1344 N TYR A 84 22.397 -6.099 3.497 1.00 0.37 N ATOM 1345 CA TYR A 84 23.318 -5.028 3.932 1.00 0.38 C ATOM 1346 C TYR A 84 22.805 -4.441 5.268 1.00 0.44 C ATOM 1347 O TYR A 84 23.703 -4.204 6.055 1.00 0.46 O ATOM 1348 CB TYR A 84 23.446 -4.053 2.669 1.00 0.31 C ATOM 1349 CG TYR A 84 23.877 -5.004 1.509 1.00 0.27 C ATOM 1350 CD1 TYR A 84 25.214 -5.324 1.371 1.00 0.72 C ATOM 1351 CD2 TYR A 84 22.971 -5.606 0.631 1.00 0.99 C ATOM 1352 CE1 TYR A 84 25.630 -6.219 0.394 1.00 0.74 C ATOM 1353 CE2 TYR A 84 23.406 -6.497 -0.328 1.00 0.95 C ATOM 1354 CZ TYR A 84 24.726 -6.807 -0.456 1.00 0.20 C ATOM 1355 OH TYR A 84 25.133 -7.679 -1.442 1.00 0.23 O ATOM 0 H TYR A 84 21.580 -5.801 2.964 1.00 0.37 H new ATOM 0 HA TYR A 84 24.333 -5.334 4.187 1.00 0.38 H new ATOM 0 HB2 TYR A 84 22.501 -3.556 2.449 1.00 0.31 H new ATOM 0 HB3 TYR A 84 24.185 -3.270 2.841 1.00 0.31 H new ATOM 0 HD1 TYR A 84 25.942 -4.874 2.029 1.00 0.72 H new ATOM 0 HD2 TYR A 84 21.919 -5.371 0.704 1.00 0.99 H new ATOM 0 HE1 TYR A 84 26.680 -6.456 0.301 1.00 0.74 H new ATOM 0 HE2 TYR A 84 22.687 -6.957 -0.989 1.00 0.95 H new ATOM 0 HH TYR A 84 24.369 -8.217 -1.739 1.00 0.23 H new ATOM 1365 N GLY A 85 21.531 -4.196 5.582 1.00 0.47 N ATOM 1366 CA GLY A 85 21.306 -3.644 6.990 1.00 0.53 C ATOM 1367 C GLY A 85 20.788 -2.250 7.275 1.00 0.54 C ATOM 1368 O GLY A 85 21.492 -1.420 7.825 1.00 0.54 O ATOM 0 H GLY A 85 20.710 -4.336 4.993 1.00 0.47 H new ATOM 0 HA2 GLY A 85 20.618 -4.332 7.481 1.00 0.53 H new ATOM 0 HA3 GLY A 85 22.262 -3.726 7.507 1.00 0.53 H new ATOM 1372 N ILE A 86 19.572 -2.049 6.866 1.00 0.57 N ATOM 1373 CA ILE A 86 18.830 -0.804 7.028 1.00 0.61 C ATOM 1374 C ILE A 86 17.387 -1.220 7.469 1.00 0.99 C ATOM 1375 O ILE A 86 16.738 -0.529 8.232 1.00 1.59 O ATOM 1376 CB ILE A 86 18.986 -0.110 5.636 1.00 0.17 C ATOM 1377 CG1 ILE A 86 17.741 0.622 5.250 1.00 0.47 C ATOM 1378 CG2 ILE A 86 19.199 -1.116 4.505 1.00 0.14 C ATOM 1379 CD1 ILE A 86 18.022 2.114 5.175 1.00 0.71 C ATOM 1380 OXT ILE A 86 16.953 -2.252 6.997 1.00 1.97 O ATOM 0 H ILE A 86 19.033 -2.771 6.387 1.00 0.57 H new ATOM 0 HA ILE A 86 19.160 -0.093 7.786 1.00 0.61 H new ATOM 0 HB ILE A 86 19.844 0.552 5.752 1.00 0.17 H new ATOM 0 HG12 ILE A 86 17.381 0.262 4.286 1.00 0.47 H new ATOM 0 HG13 ILE A 86 16.953 0.427 5.978 1.00 0.47 H new ATOM 0 HG21 ILE A 86 19.302 -0.584 3.559 1.00 0.14 H new ATOM 0 HG22 ILE A 86 20.104 -1.693 4.697 1.00 0.14 H new ATOM 0 HG23 ILE A 86 18.344 -1.790 4.451 1.00 0.14 H new ATOM 0 HD11 ILE A 86 17.111 2.642 4.893 1.00 0.71 H new ATOM 0 HD12 ILE A 86 18.362 2.470 6.148 1.00 0.71 H new ATOM 0 HD13 ILE A 86 18.795 2.302 4.430 1.00 0.71 H new