USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 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: B 9 LYS NZ :NH3+ -106:sc= -0.0515 (180deg=-0.619) USER MOD Set 1.2: B 11 LYS NZ :NH3+ 164:sc= 0.498 (180deg=0.36) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 1.44 (180deg=0.0616) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0196 (180deg=-0.252) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.04 (180deg=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= -0.86 (180deg=-1.89) USER MOD Single : A 25 TYR OH : rot 15:sc= -0.643! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 38:sc= 0.181 USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= -0.0757 (180deg=-0.432) USER MOD Single : A 42 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-7.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.664 2.535 -6.703 1.00 2.97 N ATOM 2 CA GLY A 1 10.123 2.632 -6.992 1.00 2.83 C ATOM 3 C GLY A 1 10.740 3.917 -6.469 1.00 2.42 C ATOM 4 O GLY A 1 11.657 4.462 -7.083 1.00 2.48 O ATOM 0 H1 GLY A 1 8.509 1.872 -5.916 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.299 3.473 -6.442 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.165 2.192 -7.548 1.00 2.97 H new ATOM 0 HA2 GLY A 1 10.635 1.780 -6.545 1.00 2.83 H new ATOM 0 HA3 GLY A 1 10.281 2.570 -8.069 1.00 2.83 H new ATOM 10 N SER A 2 10.244 4.397 -5.330 1.00 2.16 N ATOM 11 CA SER A 2 10.753 5.632 -4.731 1.00 2.05 C ATOM 12 C SER A 2 9.944 6.028 -3.503 1.00 1.75 C ATOM 13 O SER A 2 10.475 6.623 -2.567 1.00 1.62 O ATOM 14 CB SER A 2 10.734 6.767 -5.754 1.00 2.84 C ATOM 15 OG SER A 2 11.077 8.004 -5.153 1.00 3.15 O ATOM 0 H SER A 2 9.492 3.952 -4.804 1.00 2.16 H new ATOM 0 HA SER A 2 11.781 5.449 -4.417 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.433 6.545 -6.560 1.00 2.84 H new ATOM 0 HB3 SER A 2 9.743 6.840 -6.202 1.00 2.84 H new ATOM 0 HG SER A 2 11.059 8.713 -5.830 1.00 3.15 H new ATOM 21 N GLN A 3 8.659 5.697 -3.509 1.00 1.94 N ATOM 22 CA GLN A 3 7.792 6.015 -2.389 1.00 1.65 C ATOM 23 C GLN A 3 7.813 4.893 -1.365 1.00 1.12 C ATOM 24 O GLN A 3 7.850 3.713 -1.719 1.00 1.83 O ATOM 25 CB GLN A 3 6.367 6.255 -2.872 1.00 2.43 C ATOM 26 CG GLN A 3 6.221 7.474 -3.768 1.00 3.29 C ATOM 27 CD GLN A 3 6.410 8.778 -3.017 1.00 4.00 C ATOM 28 OE1 GLN A 3 7.140 8.839 -2.028 1.00 4.57 O ATOM 29 NE2 GLN A 3 5.751 9.830 -3.485 1.00 4.45 N ATOM 0 H GLN A 3 8.198 5.209 -4.277 1.00 1.94 H new ATOM 0 HA GLN A 3 8.161 6.926 -1.917 1.00 1.65 H new ATOM 0 HB2 GLN A 3 6.024 5.374 -3.414 1.00 2.43 H new ATOM 0 HB3 GLN A 3 5.715 6.371 -2.007 1.00 2.43 H new ATOM 0 HG2 GLN A 3 6.950 7.416 -4.576 1.00 3.29 H new ATOM 0 HG3 GLN A 3 5.233 7.465 -4.229 1.00 3.29 H new ATOM 0 HE21 GLN A 3 5.156 9.734 -4.308 1.00 4.45 H new ATOM 0 HE22 GLN A 3 5.839 10.734 -3.022 1.00 4.45 H new ATOM 38 N VAL A 4 7.786 5.266 -0.093 1.00 0.52 N ATOM 39 CA VAL A 4 7.802 4.299 0.989 1.00 1.23 C ATOM 40 C VAL A 4 6.381 3.906 1.362 1.00 1.08 C ATOM 41 O VAL A 4 6.017 3.883 2.536 1.00 1.66 O ATOM 42 CB VAL A 4 8.524 4.860 2.229 1.00 2.03 C ATOM 43 CG1 VAL A 4 7.820 6.107 2.744 1.00 3.08 C ATOM 44 CG2 VAL A 4 8.621 3.804 3.317 1.00 2.57 C ATOM 0 H VAL A 4 7.753 6.238 0.213 1.00 0.52 H new ATOM 0 HA VAL A 4 8.345 3.420 0.642 1.00 1.23 H new ATOM 0 HB VAL A 4 9.536 5.140 1.938 1.00 2.03 H new ATOM 0 HG11 VAL A 4 8.346 6.487 3.620 1.00 3.08 H new ATOM 0 HG12 VAL A 4 7.815 6.870 1.965 1.00 3.08 H new ATOM 0 HG13 VAL A 4 6.794 5.859 3.016 1.00 3.08 H new ATOM 0 HG21 VAL A 4 9.134 4.221 4.184 1.00 2.57 H new ATOM 0 HG22 VAL A 4 7.619 3.487 3.606 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.179 2.946 2.943 1.00 2.57 H new ATOM 54 N PHE A 5 5.581 3.604 0.347 1.00 0.41 N ATOM 55 CA PHE A 5 4.198 3.218 0.555 1.00 0.40 C ATOM 56 C PHE A 5 3.515 2.932 -0.784 1.00 0.40 C ATOM 57 O PHE A 5 4.079 3.185 -1.848 1.00 0.65 O ATOM 58 CB PHE A 5 3.462 4.328 1.304 1.00 0.52 C ATOM 59 CG PHE A 5 3.652 5.687 0.694 1.00 0.85 C ATOM 60 CD1 PHE A 5 3.115 5.983 -0.549 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.367 6.667 1.362 1.00 1.24 C ATOM 62 CE1 PHE A 5 3.289 7.232 -1.114 1.00 2.16 C ATOM 63 CE2 PHE A 5 4.545 7.918 0.802 1.00 1.82 C ATOM 64 CZ PHE A 5 4.005 8.201 -0.438 1.00 1.82 C ATOM 0 H PHE A 5 5.871 3.620 -0.631 1.00 0.41 H new ATOM 0 HA PHE A 5 4.170 2.307 1.153 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.398 4.095 1.329 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.808 4.350 2.337 1.00 0.52 H new ATOM 0 HD1 PHE A 5 2.554 5.229 -1.082 1.00 1.61 H new ATOM 0 HD2 PHE A 5 4.790 6.451 2.332 1.00 1.24 H new ATOM 0 HE1 PHE A 5 2.866 7.450 -2.083 1.00 2.16 H new ATOM 0 HE2 PHE A 5 5.105 8.673 1.333 1.00 1.82 H new ATOM 0 HZ PHE A 5 4.142 9.178 -0.878 1.00 1.82 H new ATOM 74 N GLU A 6 2.298 2.403 -0.719 1.00 0.26 N ATOM 75 CA GLU A 6 1.531 2.057 -1.901 1.00 0.29 C ATOM 76 C GLU A 6 0.042 2.123 -1.569 1.00 0.27 C ATOM 77 O GLU A 6 -0.409 1.505 -0.608 1.00 0.32 O ATOM 78 CB GLU A 6 1.934 0.655 -2.378 1.00 0.35 C ATOM 79 CG GLU A 6 1.273 0.212 -3.674 1.00 1.04 C ATOM 80 CD GLU A 6 -0.231 0.065 -3.558 1.00 1.84 C ATOM 81 OE1 GLU A 6 -0.687 -0.819 -2.802 1.00 2.41 O ATOM 82 OE2 GLU A 6 -0.951 0.839 -4.218 1.00 2.36 O ATOM 0 H GLU A 6 1.818 2.203 0.159 1.00 0.26 H new ATOM 0 HA GLU A 6 1.736 2.762 -2.706 1.00 0.29 H new ATOM 0 HB2 GLU A 6 3.016 0.627 -2.509 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.689 -0.064 -1.597 1.00 0.35 H new ATOM 0 HG2 GLU A 6 1.501 0.936 -4.456 1.00 1.04 H new ATOM 0 HG3 GLU A 6 1.702 -0.741 -3.986 1.00 1.04 H new ATOM 89 N TYR A 7 -0.726 2.850 -2.370 1.00 0.26 N ATOM 90 CA TYR A 7 -2.147 2.988 -2.119 1.00 0.26 C ATOM 91 C TYR A 7 -2.950 1.882 -2.781 1.00 0.24 C ATOM 92 O TYR A 7 -3.201 1.931 -3.981 1.00 0.32 O ATOM 93 CB TYR A 7 -2.634 4.349 -2.615 1.00 0.31 C ATOM 94 CG TYR A 7 -2.507 4.547 -4.111 1.00 0.41 C ATOM 95 CD1 TYR A 7 -1.293 4.903 -4.687 1.00 1.40 C ATOM 96 CD2 TYR A 7 -3.607 4.384 -4.944 1.00 1.25 C ATOM 97 CE1 TYR A 7 -1.180 5.089 -6.052 1.00 1.70 C ATOM 98 CE2 TYR A 7 -3.500 4.567 -6.310 1.00 1.45 C ATOM 99 CZ TYR A 7 -2.286 4.919 -6.858 1.00 1.28 C ATOM 100 OH TYR A 7 -2.177 5.103 -8.217 1.00 1.73 O ATOM 0 H TYR A 7 -0.388 3.349 -3.193 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.300 2.911 -1.043 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.679 4.474 -2.331 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.070 5.131 -2.107 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -0.425 5.036 -4.058 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -4.561 4.110 -4.518 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -0.230 5.366 -6.485 1.00 1.70 H new ATOM 0 HE2 TYR A 7 -4.364 4.435 -6.945 1.00 1.45 H new ATOM 0 HH TYR A 7 -3.047 4.944 -8.639 1.00 1.73 H new ATOM 110 N ALA A 8 -3.385 0.899 -1.986 1.00 0.23 N ATOM 111 CA ALA A 8 -4.176 -0.205 -2.522 1.00 0.26 C ATOM 112 C ALA A 8 -5.642 0.189 -2.520 1.00 0.28 C ATOM 113 O ALA A 8 -6.478 -0.475 -1.918 1.00 0.38 O ATOM 114 CB ALA A 8 -3.955 -1.474 -1.710 1.00 0.35 C ATOM 0 H ALA A 8 -3.204 0.848 -0.983 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.860 -0.412 -3.544 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.555 -2.283 -2.128 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.901 -1.749 -1.744 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.251 -1.300 -0.676 1.00 0.35 H new ATOM 120 N GLU A 9 -5.931 1.275 -3.230 1.00 0.25 N ATOM 121 CA GLU A 9 -7.267 1.844 -3.296 1.00 0.32 C ATOM 122 C GLU A 9 -7.904 1.716 -4.662 1.00 0.33 C ATOM 123 O GLU A 9 -7.242 1.715 -5.699 1.00 0.44 O ATOM 124 CB GLU A 9 -7.162 3.302 -2.833 1.00 0.41 C ATOM 125 CG GLU A 9 -7.975 4.320 -3.610 1.00 0.36 C ATOM 126 CD GLU A 9 -7.443 4.564 -5.011 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.430 5.281 -5.142 1.00 2.65 O ATOM 128 OE2 GLU A 9 -8.037 4.039 -5.974 1.00 2.80 O ATOM 0 H GLU A 9 -5.239 1.786 -3.778 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.935 1.284 -2.641 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -7.465 3.350 -1.787 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.114 3.599 -2.875 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -9.008 3.978 -3.675 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.985 5.262 -3.062 1.00 0.36 H new ATOM 135 N VAL A 10 -9.219 1.613 -4.614 1.00 0.24 N ATOM 136 CA VAL A 10 -10.031 1.498 -5.794 1.00 0.27 C ATOM 137 C VAL A 10 -10.416 2.880 -6.289 1.00 0.27 C ATOM 138 O VAL A 10 -10.482 3.131 -7.492 1.00 0.35 O ATOM 139 CB VAL A 10 -11.289 0.680 -5.505 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.120 0.521 -6.772 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.928 -0.672 -4.912 1.00 0.31 C ATOM 0 H VAL A 10 -9.751 1.608 -3.744 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.455 0.985 -6.564 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.890 1.215 -4.770 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -13.013 -0.064 -6.551 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.412 1.504 -7.141 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.530 0.009 -7.532 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.839 -1.237 -4.714 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.304 -1.223 -5.616 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.382 -0.526 -3.980 1.00 0.31 H new ATOM 151 N ASP A 11 -10.673 3.772 -5.342 1.00 0.23 N ATOM 152 CA ASP A 11 -11.026 5.149 -5.663 1.00 0.26 C ATOM 153 C ASP A 11 -10.393 6.143 -4.688 1.00 0.24 C ATOM 154 O ASP A 11 -9.971 7.227 -5.091 1.00 0.28 O ATOM 155 CB ASP A 11 -12.542 5.332 -5.644 1.00 0.31 C ATOM 156 CG ASP A 11 -12.966 6.676 -6.201 1.00 1.76 C ATOM 157 OD1 ASP A 11 -13.157 6.775 -7.432 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.107 7.629 -5.407 1.00 2.19 O ATOM 0 H ASP A 11 -10.644 3.567 -4.343 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.639 5.350 -6.662 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -13.009 4.537 -6.225 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.905 5.234 -4.621 1.00 0.31 H new ATOM 163 N GLU A 12 -10.323 5.777 -3.408 1.00 0.21 N ATOM 164 CA GLU A 12 -9.777 6.688 -2.394 1.00 0.23 C ATOM 165 C GLU A 12 -9.204 5.947 -1.188 1.00 0.23 C ATOM 166 O GLU A 12 -9.584 4.820 -0.903 1.00 0.29 O ATOM 167 CB GLU A 12 -10.859 7.664 -1.931 1.00 0.26 C ATOM 168 CG GLU A 12 -11.221 8.716 -2.968 1.00 0.31 C ATOM 169 CD GLU A 12 -10.071 9.658 -3.271 1.00 1.19 C ATOM 170 OE1 GLU A 12 -9.868 10.614 -2.495 1.00 1.09 O ATOM 171 OE2 GLU A 12 -9.375 9.439 -4.285 1.00 2.18 O ATOM 0 H GLU A 12 -10.631 4.873 -3.050 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.957 7.232 -2.862 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.755 7.101 -1.670 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.520 8.163 -1.023 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -11.533 8.221 -3.888 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -12.074 9.293 -2.612 1.00 0.31 H new ATOM 178 N ILE A 13 -8.300 6.611 -0.477 1.00 0.22 N ATOM 179 CA ILE A 13 -7.668 6.038 0.711 1.00 0.22 C ATOM 180 C ILE A 13 -7.826 7.005 1.889 1.00 0.27 C ATOM 181 O ILE A 13 -8.614 7.949 1.824 1.00 0.34 O ATOM 182 CB ILE A 13 -6.154 5.769 0.487 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.390 7.085 0.319 1.00 0.28 C ATOM 184 CG2 ILE A 13 -5.948 4.914 -0.744 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.696 7.781 -0.990 1.00 0.34 C ATOM 0 H ILE A 13 -7.985 7.554 -0.703 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.159 5.088 0.921 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.773 5.244 1.363 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.638 7.751 1.145 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.320 6.888 0.378 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.883 4.734 -0.888 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.463 3.962 -0.616 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.350 5.429 -1.616 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -5.125 8.708 -1.052 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.422 7.130 -1.821 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.761 8.007 -1.042 1.00 0.34 H new ATOM 197 N VAL A 14 -7.079 6.763 2.957 1.00 0.25 N ATOM 198 CA VAL A 14 -7.119 7.617 4.137 1.00 0.30 C ATOM 199 C VAL A 14 -5.771 7.580 4.836 1.00 0.27 C ATOM 200 O VAL A 14 -5.197 8.616 5.173 1.00 0.30 O ATOM 201 CB VAL A 14 -8.227 7.189 5.121 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.190 8.042 6.382 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.590 7.281 4.453 1.00 0.67 C ATOM 0 H VAL A 14 -6.433 5.977 3.031 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.344 8.631 3.808 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.050 6.153 5.409 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -8.980 7.722 7.061 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.223 7.927 6.871 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.341 9.089 6.118 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.362 6.976 5.159 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.772 8.308 4.137 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.614 6.625 3.583 1.00 0.67 H new ATOM 213 N GLU A 15 -5.274 6.369 5.046 1.00 0.28 N ATOM 214 CA GLU A 15 -3.978 6.172 5.679 1.00 0.27 C ATOM 215 C GLU A 15 -2.924 5.893 4.613 1.00 0.26 C ATOM 216 O GLU A 15 -3.223 5.308 3.579 1.00 0.48 O ATOM 217 CB GLU A 15 -4.044 5.017 6.681 1.00 0.32 C ATOM 218 CG GLU A 15 -5.016 5.262 7.824 1.00 1.30 C ATOM 219 CD GLU A 15 -5.102 4.089 8.781 1.00 1.98 C ATOM 220 OE1 GLU A 15 -4.244 3.994 9.683 1.00 2.07 O ATOM 221 OE2 GLU A 15 -6.029 3.267 8.630 1.00 2.96 O ATOM 0 H GLU A 15 -5.751 5.506 4.786 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.705 7.078 6.220 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -4.334 4.107 6.156 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -3.049 4.845 7.091 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -4.708 6.152 8.373 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -6.006 5.466 7.416 1.00 1.30 H new ATOM 228 N LYS A 16 -1.709 6.369 4.824 1.00 0.20 N ATOM 229 CA LYS A 16 -0.643 6.137 3.854 1.00 0.23 C ATOM 230 C LYS A 16 0.751 6.181 4.496 1.00 0.25 C ATOM 231 O LYS A 16 1.452 7.184 4.370 1.00 0.35 O ATOM 232 CB LYS A 16 -0.725 7.182 2.742 1.00 0.32 C ATOM 233 CG LYS A 16 -0.776 8.612 3.257 1.00 0.41 C ATOM 234 CD LYS A 16 -0.850 9.615 2.117 1.00 0.50 C ATOM 235 CE LYS A 16 -0.923 11.040 2.637 1.00 1.43 C ATOM 236 NZ LYS A 16 -2.147 11.272 3.453 1.00 2.13 N ATOM 0 H LYS A 16 -1.435 6.911 5.644 1.00 0.20 H new ATOM 0 HA LYS A 16 -0.785 5.136 3.446 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.138 7.071 2.085 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.612 6.990 2.138 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.642 8.735 3.907 1.00 0.41 H new ATOM 0 HG3 LYS A 16 0.108 8.813 3.862 1.00 0.41 H new ATOM 0 HD2 LYS A 16 0.024 9.504 1.476 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -1.725 9.405 1.502 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -0.040 11.252 3.239 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -0.910 11.734 1.797 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -2.285 12.294 3.589 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -2.973 10.874 2.962 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -2.040 10.811 4.379 1.00 2.13 H new ATOM 250 N ARG A 17 1.168 5.113 5.177 1.00 0.22 N ATOM 251 CA ARG A 17 2.486 5.113 5.818 1.00 0.31 C ATOM 252 C ARG A 17 3.051 3.704 5.960 1.00 0.30 C ATOM 253 O ARG A 17 2.796 3.038 6.963 1.00 0.33 O ATOM 254 CB ARG A 17 2.387 5.772 7.195 1.00 0.41 C ATOM 255 CG ARG A 17 3.671 5.700 8.003 1.00 1.20 C ATOM 256 CD ARG A 17 3.465 6.239 9.409 1.00 1.68 C ATOM 257 NE ARG A 17 3.090 7.650 9.406 1.00 2.30 N ATOM 258 CZ ARG A 17 2.628 8.292 10.474 1.00 3.07 C ATOM 259 NH1 ARG A 17 2.480 7.649 11.623 1.00 3.46 N ATOM 260 NH2 ARG A 17 2.312 9.577 10.392 1.00 3.83 N ATOM 0 H ARG A 17 0.629 4.256 5.298 1.00 0.22 H new ATOM 0 HA ARG A 17 3.166 5.678 5.181 1.00 0.31 H new ATOM 0 HB2 ARG A 17 2.107 6.818 7.068 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.586 5.294 7.759 1.00 0.41 H new ATOM 0 HG2 ARG A 17 4.015 4.667 8.053 1.00 1.20 H new ATOM 0 HG3 ARG A 17 4.452 6.272 7.502 1.00 1.20 H new ATOM 0 HD2 ARG A 17 2.689 5.659 9.909 1.00 1.68 H new ATOM 0 HD3 ARG A 17 4.381 6.109 9.985 1.00 1.68 H new ATOM 0 HE ARG A 17 3.188 8.172 8.535 1.00 2.30 H new ATOM 0 HH11 ARG A 17 2.721 6.660 11.689 1.00 3.46 H new ATOM 0 HH12 ARG A 17 2.125 8.143 12.442 1.00 3.46 H new ATOM 0 HH21 ARG A 17 2.423 10.074 9.508 1.00 3.83 H new ATOM 0 HH22 ARG A 17 1.958 10.068 11.213 1.00 3.83 H new ATOM 274 N GLY A 18 3.812 3.234 4.970 1.00 0.29 N ATOM 275 CA GLY A 18 4.355 1.896 5.078 1.00 0.28 C ATOM 276 C GLY A 18 5.636 1.668 4.309 1.00 0.32 C ATOM 277 O GLY A 18 6.584 2.447 4.390 1.00 0.41 O ATOM 0 H GLY A 18 4.055 3.743 4.120 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.535 1.676 6.130 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.606 1.186 4.728 1.00 0.28 H new ATOM 281 N LYS A 19 5.646 0.561 3.573 1.00 0.30 N ATOM 282 CA LYS A 19 6.774 0.152 2.766 1.00 0.36 C ATOM 283 C LYS A 19 6.371 0.144 1.284 1.00 0.45 C ATOM 284 O LYS A 19 5.987 1.176 0.746 1.00 0.76 O ATOM 285 CB LYS A 19 7.203 -1.222 3.256 1.00 0.29 C ATOM 286 CG LYS A 19 7.853 -1.180 4.619 1.00 0.37 C ATOM 287 CD LYS A 19 8.102 -2.574 5.138 1.00 0.33 C ATOM 288 CE LYS A 19 8.830 -2.540 6.469 1.00 0.51 C ATOM 289 NZ LYS A 19 10.191 -1.951 6.342 1.00 1.13 N ATOM 0 H LYS A 19 4.855 -0.082 3.525 1.00 0.30 H new ATOM 0 HA LYS A 19 7.612 0.842 2.859 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.333 -1.878 3.293 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.900 -1.657 2.539 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.795 -0.635 4.561 1.00 0.37 H new ATOM 0 HG3 LYS A 19 7.214 -0.637 5.315 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.153 -3.098 5.253 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.690 -3.136 4.412 1.00 0.33 H new ATOM 0 HE2 LYS A 19 8.249 -1.960 7.186 1.00 0.51 H new ATOM 0 HE3 LYS A 19 8.908 -3.552 6.866 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 10.751 -2.186 7.186 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.659 -2.337 5.497 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 10.115 -0.918 6.254 1.00 1.13 H new ATOM 303 N GLY A 20 6.459 -1.003 0.619 1.00 0.47 N ATOM 304 CA GLY A 20 6.043 -1.089 -0.752 1.00 0.51 C ATOM 305 C GLY A 20 4.627 -1.575 -0.778 1.00 0.42 C ATOM 306 O GLY A 20 3.792 -1.121 -1.555 1.00 0.48 O ATOM 0 H GLY A 20 6.814 -1.873 1.015 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.120 -0.115 -1.235 1.00 0.51 H new ATOM 0 HA3 GLY A 20 6.690 -1.771 -1.304 1.00 0.51 H new ATOM 310 N LYS A 21 4.389 -2.526 0.105 1.00 0.33 N ATOM 311 CA LYS A 21 3.077 -3.115 0.284 1.00 0.33 C ATOM 312 C LYS A 21 2.737 -3.288 1.777 1.00 0.27 C ATOM 313 O LYS A 21 1.632 -3.705 2.111 1.00 0.32 O ATOM 314 CB LYS A 21 3.012 -4.454 -0.445 1.00 0.46 C ATOM 315 CG LYS A 21 2.515 -4.337 -1.878 1.00 0.88 C ATOM 316 CD LYS A 21 2.825 -5.590 -2.679 1.00 1.58 C ATOM 317 CE LYS A 21 4.298 -5.665 -3.048 1.00 2.52 C ATOM 318 NZ LYS A 21 4.708 -4.531 -3.922 1.00 3.41 N ATOM 0 H LYS A 21 5.104 -2.913 0.721 1.00 0.33 H new ATOM 0 HA LYS A 21 2.334 -2.440 -0.141 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.004 -4.906 -0.448 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.356 -5.128 0.106 1.00 0.46 H new ATOM 0 HG2 LYS A 21 1.439 -4.161 -1.878 1.00 0.88 H new ATOM 0 HG3 LYS A 21 2.979 -3.474 -2.356 1.00 0.88 H new ATOM 0 HD2 LYS A 21 2.549 -6.471 -2.100 1.00 1.58 H new ATOM 0 HD3 LYS A 21 2.221 -5.602 -3.586 1.00 1.58 H new ATOM 0 HE2 LYS A 21 4.901 -5.660 -2.140 1.00 2.52 H new ATOM 0 HE3 LYS A 21 4.497 -6.607 -3.558 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 5.558 -4.797 -4.460 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 3.937 -4.305 -4.582 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 4.916 -3.698 -3.335 1.00 3.41 H new ATOM 332 N ASP A 22 3.665 -2.911 2.677 1.00 0.21 N ATOM 333 CA ASP A 22 3.442 -3.033 4.116 1.00 0.23 C ATOM 334 C ASP A 22 2.711 -1.827 4.671 1.00 0.21 C ATOM 335 O ASP A 22 2.592 -1.655 5.882 1.00 0.26 O ATOM 336 CB ASP A 22 4.768 -3.158 4.859 1.00 0.26 C ATOM 337 CG ASP A 22 4.589 -3.589 6.303 1.00 0.34 C ATOM 338 OD1 ASP A 22 4.489 -4.805 6.557 1.00 0.94 O ATOM 339 OD2 ASP A 22 4.545 -2.703 7.183 1.00 1.22 O ATOM 0 H ASP A 22 4.573 -2.521 2.425 1.00 0.21 H new ATOM 0 HA ASP A 22 2.837 -3.927 4.263 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.402 -3.880 4.344 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.288 -2.200 4.831 1.00 0.26 H new ATOM 344 N VAL A 23 2.250 -0.992 3.778 1.00 0.17 N ATOM 345 CA VAL A 23 1.522 0.193 4.133 1.00 0.18 C ATOM 346 C VAL A 23 0.036 -0.094 4.232 1.00 0.16 C ATOM 347 O VAL A 23 -0.517 -0.869 3.449 1.00 0.18 O ATOM 348 CB VAL A 23 1.764 1.254 3.072 1.00 0.20 C ATOM 349 CG1 VAL A 23 1.246 0.751 1.735 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.123 2.565 3.479 1.00 0.23 C ATOM 0 H VAL A 23 2.372 -1.119 2.773 1.00 0.17 H new ATOM 0 HA VAL A 23 1.868 0.543 5.105 1.00 0.18 H new ATOM 0 HB VAL A 23 2.833 1.444 2.971 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.417 1.509 0.970 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.771 -0.165 1.463 1.00 0.34 H new ATOM 0 HG13 VAL A 23 0.178 0.548 1.812 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.306 3.314 2.708 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.049 2.423 3.600 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.552 2.903 4.422 1.00 0.23 H new ATOM 360 N GLU A 24 -0.618 0.538 5.182 1.00 0.18 N ATOM 361 CA GLU A 24 -2.038 0.317 5.370 1.00 0.22 C ATOM 362 C GLU A 24 -2.846 1.505 4.887 1.00 0.24 C ATOM 363 O GLU A 24 -3.009 2.496 5.599 1.00 0.48 O ATOM 364 CB GLU A 24 -2.375 0.043 6.827 1.00 0.34 C ATOM 365 CG GLU A 24 -1.537 0.839 7.813 1.00 0.45 C ATOM 366 CD GLU A 24 -1.850 0.494 9.255 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.229 -0.450 9.788 1.00 1.26 O ATOM 368 OE2 GLU A 24 -2.716 1.169 9.852 1.00 1.22 O ATOM 0 H GLU A 24 -0.196 1.203 5.831 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.299 -0.560 4.778 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.428 0.269 6.995 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.241 -1.020 7.027 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.481 0.653 7.620 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -1.707 1.904 7.653 1.00 0.45 H new ATOM 375 N TYR A 25 -3.349 1.396 3.675 1.00 0.18 N ATOM 376 CA TYR A 25 -4.154 2.436 3.083 1.00 0.22 C ATOM 377 C TYR A 25 -5.632 2.139 3.314 1.00 0.30 C ATOM 378 O TYR A 25 -5.985 1.264 4.100 1.00 0.65 O ATOM 379 CB TYR A 25 -3.869 2.515 1.583 1.00 0.23 C ATOM 380 CG TYR A 25 -2.693 3.389 1.226 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.396 2.946 1.408 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.881 4.650 0.677 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.318 3.734 1.059 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.811 5.444 0.321 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.530 4.981 0.514 1.00 0.25 C ATOM 386 OH TYR A 25 0.544 5.768 0.159 1.00 0.30 O ATOM 0 H TYR A 25 -3.210 0.583 3.075 1.00 0.18 H new ATOM 0 HA TYR A 25 -3.906 3.391 3.546 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.689 1.509 1.205 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.756 2.892 1.075 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.224 1.967 1.830 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.885 5.017 0.526 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.689 3.374 1.213 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -1.977 6.422 -0.106 1.00 0.25 H new ATOM 0 HH TYR A 25 1.356 5.220 0.132 1.00 0.30 H new ATOM 396 N LEU A 26 -6.481 2.891 2.642 1.00 0.19 N ATOM 397 CA LEU A 26 -7.917 2.709 2.712 1.00 0.19 C ATOM 398 C LEU A 26 -8.450 2.599 1.302 1.00 0.17 C ATOM 399 O LEU A 26 -7.790 3.032 0.363 1.00 0.17 O ATOM 400 CB LEU A 26 -8.578 3.893 3.422 1.00 0.20 C ATOM 401 CG LEU A 26 -10.094 3.994 3.219 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.764 4.612 4.432 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.431 4.785 1.959 1.00 0.96 C ATOM 0 H LEU A 26 -6.191 3.652 2.027 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.143 1.805 3.278 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.372 3.820 4.490 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.115 4.815 3.070 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.478 2.982 3.094 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.839 4.672 4.263 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.569 3.995 5.309 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.366 5.613 4.597 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.513 4.839 1.842 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.024 5.793 2.042 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -9.997 4.289 1.091 1.00 0.96 H new ATOM 415 N VAL A 27 -9.627 2.024 1.120 1.00 0.18 N ATOM 416 CA VAL A 27 -10.149 1.937 -0.226 1.00 0.18 C ATOM 417 C VAL A 27 -11.650 2.170 -0.320 1.00 0.18 C ATOM 418 O VAL A 27 -12.457 1.385 0.177 1.00 0.22 O ATOM 419 CB VAL A 27 -9.742 0.620 -0.934 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.509 0.004 -0.289 1.00 0.40 C ATOM 421 CG2 VAL A 27 -10.870 -0.411 -1.013 1.00 0.36 C ATOM 0 H VAL A 27 -10.215 1.628 1.853 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.679 2.763 -0.760 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.507 0.903 -1.960 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.249 -0.918 -0.808 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.676 0.704 -0.354 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.717 -0.216 0.758 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.510 -1.306 -1.521 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.196 -0.672 -0.006 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.709 0.009 -1.568 1.00 0.36 H new ATOM 431 N ARG A 28 -12.009 3.274 -0.951 1.00 0.16 N ATOM 432 CA ARG A 28 -13.400 3.581 -1.192 1.00 0.18 C ATOM 433 C ARG A 28 -13.759 2.953 -2.508 1.00 0.16 C ATOM 434 O ARG A 28 -13.842 3.631 -3.532 1.00 0.20 O ATOM 435 CB ARG A 28 -13.651 5.080 -1.246 1.00 0.21 C ATOM 436 CG ARG A 28 -15.080 5.469 -0.903 1.00 1.14 C ATOM 437 CD ARG A 28 -15.260 6.979 -0.888 1.00 1.22 C ATOM 438 NE ARG A 28 -14.401 7.621 0.102 1.00 1.99 N ATOM 439 CZ ARG A 28 -14.457 8.916 0.393 1.00 2.29 C ATOM 440 NH1 ARG A 28 -15.330 9.698 -0.226 1.00 2.04 N ATOM 441 NH2 ARG A 28 -13.639 9.430 1.303 1.00 3.27 N ATOM 0 H ARG A 28 -11.353 3.971 -1.304 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.011 3.193 -0.377 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -12.971 5.579 -0.555 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -13.414 5.444 -2.246 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -15.762 5.028 -1.629 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -15.345 5.061 0.072 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -15.037 7.381 -1.877 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -16.302 7.218 -0.674 1.00 1.22 H new ATOM 0 HE ARG A 28 -13.721 7.044 0.597 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -15.959 9.306 -0.926 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -15.372 10.692 -0.002 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -12.966 8.830 1.780 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -13.683 10.425 1.525 1.00 3.27 H new ATOM 455 N TRP A 29 -13.952 1.640 -2.454 1.00 0.19 N ATOM 456 CA TRP A 29 -14.277 0.823 -3.616 1.00 0.25 C ATOM 457 C TRP A 29 -15.011 1.610 -4.685 1.00 0.25 C ATOM 458 O TRP A 29 -16.231 1.723 -4.653 1.00 0.30 O ATOM 459 CB TRP A 29 -15.135 -0.350 -3.165 1.00 0.34 C ATOM 460 CG TRP A 29 -14.992 -1.574 -4.022 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.090 -1.772 -5.027 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.780 -2.770 -3.947 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.268 -3.017 -5.582 1.00 0.93 N ATOM 464 CE2 TRP A 29 -15.298 -3.648 -4.937 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.844 -3.183 -3.141 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -15.844 -4.913 -5.141 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -17.384 -4.440 -3.344 1.00 1.02 C ATOM 468 CH2 TRP A 29 -16.884 -5.291 -4.337 1.00 1.31 C ATOM 0 H TRP A 29 -13.886 1.105 -1.588 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.343 0.474 -4.057 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -14.873 -0.605 -2.138 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.181 -0.042 -3.160 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.345 -1.055 -5.340 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.722 -3.407 -6.350 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -17.237 -2.533 -2.374 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -15.460 -5.571 -5.906 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -18.206 -4.771 -2.726 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -17.329 -6.266 -4.471 1.00 1.31 H new ATOM 479 N LYS A 30 -14.225 2.212 -5.585 1.00 0.25 N ATOM 480 CA LYS A 30 -14.765 2.986 -6.724 1.00 0.30 C ATOM 481 C LYS A 30 -16.146 2.482 -7.163 1.00 0.36 C ATOM 482 O LYS A 30 -17.007 3.266 -7.558 1.00 0.42 O ATOM 483 CB LYS A 30 -13.810 2.906 -7.920 1.00 0.35 C ATOM 484 CG LYS A 30 -14.276 3.719 -9.119 1.00 0.69 C ATOM 485 CD LYS A 30 -13.441 3.426 -10.355 1.00 1.11 C ATOM 486 CE LYS A 30 -11.979 3.776 -10.136 1.00 1.70 C ATOM 487 NZ LYS A 30 -11.175 3.611 -11.379 1.00 2.46 N ATOM 0 H LYS A 30 -13.206 2.181 -5.551 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.865 4.017 -6.386 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.825 3.257 -7.613 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.699 1.863 -8.218 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -15.323 3.496 -9.326 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.217 4.782 -8.883 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -13.529 2.371 -10.613 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -13.829 3.994 -11.201 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -11.901 4.806 -9.787 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -11.568 3.142 -9.351 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -10.184 3.860 -11.187 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -11.228 2.623 -11.698 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -11.551 4.235 -12.121 1.00 2.46 H new ATOM 501 N ASP A 31 -16.337 1.166 -7.097 1.00 0.39 N ATOM 502 CA ASP A 31 -17.612 0.555 -7.456 1.00 0.48 C ATOM 503 C ASP A 31 -18.212 -0.145 -6.238 1.00 0.45 C ATOM 504 O ASP A 31 -18.512 -1.338 -6.276 1.00 0.52 O ATOM 505 CB ASP A 31 -17.424 -0.446 -8.597 1.00 0.59 C ATOM 506 CG ASP A 31 -18.734 -1.066 -9.040 1.00 1.31 C ATOM 507 OD1 ASP A 31 -19.429 -0.450 -9.876 1.00 1.92 O ATOM 508 OD2 ASP A 31 -19.065 -2.167 -8.552 1.00 2.02 O ATOM 0 H ASP A 31 -15.623 0.502 -6.797 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.293 1.337 -7.791 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.957 0.056 -9.445 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -16.741 -1.234 -8.278 1.00 0.59 H new ATOM 513 N GLY A 32 -18.383 0.614 -5.159 1.00 0.39 N ATOM 514 CA GLY A 32 -18.923 0.065 -3.930 1.00 0.40 C ATOM 515 C GLY A 32 -19.731 1.078 -3.143 1.00 0.42 C ATOM 516 O GLY A 32 -20.127 2.116 -3.673 1.00 0.59 O ATOM 0 H GLY A 32 -18.155 1.607 -5.116 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.553 -0.792 -4.166 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.105 -0.302 -3.310 1.00 0.40 H new ATOM 520 N GLY A 33 -19.973 0.774 -1.872 1.00 0.43 N ATOM 521 CA GLY A 33 -20.732 1.673 -1.022 1.00 0.48 C ATOM 522 C GLY A 33 -20.327 1.568 0.435 1.00 0.46 C ATOM 523 O GLY A 33 -21.163 1.690 1.330 1.00 0.86 O ATOM 0 H GLY A 33 -19.656 -0.081 -1.415 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.590 2.698 -1.363 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.795 1.450 -1.118 1.00 0.48 H new ATOM 527 N ASP A 34 -19.039 1.341 0.674 1.00 0.45 N ATOM 528 CA ASP A 34 -18.527 1.213 2.033 1.00 0.40 C ATOM 529 C ASP A 34 -17.112 1.778 2.140 1.00 0.38 C ATOM 530 O ASP A 34 -16.627 2.439 1.222 1.00 0.62 O ATOM 531 CB ASP A 34 -18.535 -0.255 2.461 1.00 0.55 C ATOM 532 CG ASP A 34 -19.891 -0.904 2.265 1.00 1.31 C ATOM 533 OD1 ASP A 34 -20.777 -0.694 3.120 1.00 1.40 O ATOM 534 OD2 ASP A 34 -20.066 -1.622 1.259 1.00 2.13 O ATOM 0 H ASP A 34 -18.332 1.242 -0.055 1.00 0.45 H new ATOM 0 HA ASP A 34 -19.176 1.785 2.696 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -17.787 -0.802 1.888 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.249 -0.327 3.510 1.00 0.55 H new ATOM 539 N CYS A 35 -16.459 1.515 3.268 1.00 0.40 N ATOM 540 CA CYS A 35 -15.102 1.998 3.497 1.00 0.44 C ATOM 541 C CYS A 35 -14.287 0.983 4.294 1.00 0.39 C ATOM 542 O CYS A 35 -14.568 0.730 5.466 1.00 0.61 O ATOM 543 CB CYS A 35 -15.134 3.339 4.235 1.00 0.72 C ATOM 544 SG CYS A 35 -15.960 3.278 5.842 1.00 1.60 S ATOM 0 H CYS A 35 -16.848 0.970 4.038 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.624 2.136 2.527 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -14.111 3.688 4.377 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -15.637 4.075 3.608 1.00 0.72 H new ATOM 0 HG CYS A 35 -15.675 2.157 6.434 1.00 1.60 H new ATOM 550 N GLU A 36 -13.275 0.408 3.651 1.00 0.32 N ATOM 551 CA GLU A 36 -12.414 -0.578 4.299 1.00 0.43 C ATOM 552 C GLU A 36 -10.958 -0.121 4.278 1.00 0.34 C ATOM 553 O GLU A 36 -10.630 0.909 3.691 1.00 0.36 O ATOM 554 CB GLU A 36 -12.546 -1.934 3.603 1.00 0.63 C ATOM 555 CG GLU A 36 -13.959 -2.494 3.624 1.00 1.20 C ATOM 556 CD GLU A 36 -14.459 -2.763 5.031 1.00 1.70 C ATOM 557 OE1 GLU A 36 -14.918 -1.807 5.690 1.00 2.27 O ATOM 558 OE2 GLU A 36 -14.392 -3.929 5.472 1.00 2.22 O ATOM 0 H GLU A 36 -13.030 0.608 2.681 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.731 -0.678 5.337 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.219 -1.835 2.568 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -11.875 -2.646 4.083 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.632 -1.792 3.131 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -13.988 -3.420 3.049 1.00 1.20 H new ATOM 565 N TRP A 37 -10.088 -0.895 4.920 1.00 0.40 N ATOM 566 CA TRP A 37 -8.670 -0.563 4.978 1.00 0.33 C ATOM 567 C TRP A 37 -7.819 -1.611 4.272 1.00 0.35 C ATOM 568 O TRP A 37 -8.189 -2.783 4.194 1.00 0.46 O ATOM 569 CB TRP A 37 -8.225 -0.435 6.433 1.00 0.38 C ATOM 570 CG TRP A 37 -8.726 0.809 7.096 1.00 0.39 C ATOM 571 CD1 TRP A 37 -8.987 2.006 6.495 1.00 0.45 C ATOM 572 CD2 TRP A 37 -9.024 0.984 8.486 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.430 2.915 7.425 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.462 2.312 8.654 1.00 0.50 C ATOM 575 CE3 TRP A 37 -8.965 0.148 9.605 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -9.837 2.822 9.894 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -9.337 0.657 10.836 1.00 0.71 C ATOM 578 CH2 TRP A 37 -9.769 1.982 10.972 1.00 0.70 C ATOM 0 H TRP A 37 -10.341 -1.755 5.407 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.530 0.388 4.464 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.576 -1.303 6.991 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -7.136 -0.448 6.475 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -8.863 2.209 5.442 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -9.692 3.882 7.232 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.635 -0.876 9.510 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -10.170 3.844 10.001 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -9.294 0.021 11.708 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -10.054 2.348 11.947 1.00 0.70 H new ATOM 589 N VAL A 38 -6.673 -1.174 3.763 1.00 0.28 N ATOM 590 CA VAL A 38 -5.750 -2.064 3.073 1.00 0.37 C ATOM 591 C VAL A 38 -4.782 -2.693 4.063 1.00 0.36 C ATOM 592 O VAL A 38 -4.486 -2.117 5.110 1.00 0.31 O ATOM 593 CB VAL A 38 -4.952 -1.310 1.995 1.00 0.41 C ATOM 594 CG1 VAL A 38 -3.970 -2.237 1.297 1.00 0.65 C ATOM 595 CG2 VAL A 38 -5.890 -0.651 0.998 1.00 0.46 C ATOM 0 H VAL A 38 -6.361 -0.204 3.816 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.341 -2.844 2.592 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.375 -0.525 2.484 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -3.419 -1.679 0.540 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.272 -2.644 2.028 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -4.515 -3.053 0.822 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.307 -0.123 0.244 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -6.502 -1.413 0.515 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.535 0.057 1.518 1.00 0.46 H new ATOM 605 N LYS A 39 -4.292 -3.877 3.726 1.00 0.46 N ATOM 606 CA LYS A 39 -3.379 -4.597 4.598 1.00 0.48 C ATOM 607 C LYS A 39 -1.994 -3.965 4.627 1.00 0.38 C ATOM 608 O LYS A 39 -1.165 -4.212 3.751 1.00 0.45 O ATOM 609 CB LYS A 39 -3.284 -6.062 4.170 1.00 0.63 C ATOM 610 CG LYS A 39 -2.567 -6.954 5.172 1.00 0.67 C ATOM 611 CD LYS A 39 -3.390 -7.148 6.436 1.00 1.09 C ATOM 612 CE LYS A 39 -2.774 -8.200 7.346 1.00 1.61 C ATOM 613 NZ LYS A 39 -2.725 -9.539 6.694 1.00 2.32 N ATOM 0 H LYS A 39 -4.512 -4.359 2.854 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.782 -4.541 5.609 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.290 -6.449 4.010 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -2.765 -6.117 3.213 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -2.363 -7.923 4.717 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -1.603 -6.514 5.428 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.465 -6.201 6.971 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -4.404 -7.445 6.169 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -1.765 -7.894 7.623 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -3.352 -8.266 8.268 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -3.111 -10.255 7.342 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -3.290 -9.521 5.821 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -1.739 -9.777 6.463 1.00 2.32 H new ATOM 627 N GLY A 40 -1.759 -3.146 5.646 1.00 0.32 N ATOM 628 CA GLY A 40 -0.471 -2.502 5.795 1.00 0.27 C ATOM 629 C GLY A 40 0.472 -3.268 6.693 1.00 0.28 C ATOM 630 O GLY A 40 1.177 -2.685 7.518 1.00 0.35 O ATOM 0 H GLY A 40 -2.439 -2.918 6.371 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.014 -2.385 4.813 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.616 -1.501 6.200 1.00 0.27 H new ATOM 634 N VAL A 41 0.464 -4.581 6.551 1.00 0.29 N ATOM 635 CA VAL A 41 1.363 -5.438 7.306 1.00 0.39 C ATOM 636 C VAL A 41 2.241 -6.234 6.350 1.00 0.38 C ATOM 637 O VAL A 41 3.027 -7.080 6.777 1.00 0.45 O ATOM 638 CB VAL A 41 0.624 -6.442 8.208 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.459 -6.760 9.438 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.754 -5.930 8.605 1.00 0.51 C ATOM 0 H VAL A 41 -0.159 -5.080 5.916 1.00 0.29 H new ATOM 0 HA VAL A 41 1.953 -4.776 7.940 1.00 0.39 H new ATOM 0 HB VAL A 41 0.477 -7.360 7.639 1.00 0.50 H new ATOM 0 HG11 VAL A 41 0.924 -7.471 10.067 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.411 -7.193 9.130 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.642 -5.844 10.000 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.246 -6.665 9.242 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.651 -4.991 9.149 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.353 -5.767 7.709 1.00 0.51 H new ATOM 650 N HIS A 42 2.109 -5.961 5.050 1.00 0.35 N ATOM 651 CA HIS A 42 2.879 -6.674 4.054 1.00 0.40 C ATOM 652 C HIS A 42 4.266 -6.112 3.953 1.00 0.36 C ATOM 653 O HIS A 42 4.585 -5.331 3.060 1.00 0.31 O ATOM 654 CB HIS A 42 2.153 -6.693 2.710 1.00 0.43 C ATOM 655 CG HIS A 42 1.115 -7.766 2.625 1.00 0.64 C ATOM 656 ND1 HIS A 42 -0.213 -7.509 2.356 1.00 1.35 N ATOM 657 CD2 HIS A 42 1.210 -9.107 2.793 1.00 1.27 C ATOM 658 CE1 HIS A 42 -0.890 -8.643 2.363 1.00 1.32 C ATOM 659 NE2 HIS A 42 -0.049 -9.627 2.626 1.00 1.17 N ATOM 0 H HIS A 42 1.477 -5.254 4.674 1.00 0.35 H new ATOM 0 HA HIS A 42 2.980 -7.713 4.368 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.682 -5.724 2.544 1.00 0.43 H new ATOM 0 HB3 HIS A 42 2.881 -6.835 1.911 1.00 0.43 H new ATOM 0 HD2 HIS A 42 2.109 -9.663 3.017 1.00 1.27 H new ATOM 0 HE1 HIS A 42 -1.950 -8.748 2.184 1.00 1.32 H new ATOM 0 HE2 HIS A 42 -0.296 -10.614 2.694 1.00 1.17 H new ATOM 668 N VAL A 43 5.077 -6.575 4.895 1.00 0.43 N ATOM 669 CA VAL A 43 6.472 -6.174 5.023 1.00 0.44 C ATOM 670 C VAL A 43 7.266 -6.428 3.760 1.00 0.44 C ATOM 671 O VAL A 43 8.071 -7.353 3.689 1.00 0.54 O ATOM 672 CB VAL A 43 7.147 -6.911 6.199 1.00 0.55 C ATOM 673 CG1 VAL A 43 8.594 -6.471 6.360 1.00 1.49 C ATOM 674 CG2 VAL A 43 6.371 -6.681 7.488 1.00 1.34 C ATOM 0 H VAL A 43 4.781 -7.249 5.601 1.00 0.43 H new ATOM 0 HA VAL A 43 6.467 -5.100 5.210 1.00 0.44 H new ATOM 0 HB VAL A 43 7.142 -7.978 5.977 1.00 0.55 H new ATOM 0 HG11 VAL A 43 9.046 -7.006 7.195 1.00 1.49 H new ATOM 0 HG12 VAL A 43 9.146 -6.693 5.446 1.00 1.49 H new ATOM 0 HG13 VAL A 43 8.629 -5.399 6.554 1.00 1.49 H new ATOM 0 HG21 VAL A 43 6.861 -7.208 8.307 1.00 1.34 H new ATOM 0 HG22 VAL A 43 6.341 -5.614 7.709 1.00 1.34 H new ATOM 0 HG23 VAL A 43 5.354 -7.056 7.372 1.00 1.34 H new ATOM 684 N ALA A 44 7.035 -5.585 2.764 1.00 0.36 N ATOM 685 CA ALA A 44 7.748 -5.673 1.510 1.00 0.42 C ATOM 686 C ALA A 44 8.990 -4.807 1.579 1.00 0.41 C ATOM 687 O ALA A 44 9.243 -3.980 0.702 1.00 0.45 O ATOM 688 CB ALA A 44 6.856 -5.259 0.351 1.00 0.48 C ATOM 0 H ALA A 44 6.352 -4.828 2.807 1.00 0.36 H new ATOM 0 HA ALA A 44 8.046 -6.707 1.338 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.414 -5.333 -0.582 1.00 0.48 H new ATOM 0 HB2 ALA A 44 5.987 -5.916 0.308 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.526 -4.230 0.495 1.00 0.48 H new ATOM 694 N GLU A 45 9.765 -5.011 2.642 1.00 0.43 N ATOM 695 CA GLU A 45 10.995 -4.259 2.859 1.00 0.49 C ATOM 696 C GLU A 45 11.826 -4.238 1.587 1.00 0.53 C ATOM 697 O GLU A 45 12.610 -3.318 1.354 1.00 0.62 O ATOM 698 CB GLU A 45 11.800 -4.874 4.006 1.00 0.58 C ATOM 699 CG GLU A 45 13.147 -4.207 4.232 1.00 1.27 C ATOM 700 CD GLU A 45 13.923 -4.835 5.375 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.655 -5.815 5.127 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.795 -4.345 6.516 1.00 2.42 O ATOM 0 H GLU A 45 9.560 -5.696 3.370 1.00 0.43 H new ATOM 0 HA GLU A 45 10.735 -3.235 3.127 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.215 -4.811 4.923 1.00 0.58 H new ATOM 0 HB3 GLU A 45 11.958 -5.933 3.800 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.738 -4.270 3.318 1.00 1.27 H new ATOM 0 HG3 GLU A 45 12.994 -3.148 4.440 1.00 1.27 H new ATOM 709 N ASP A 46 11.646 -5.268 0.771 1.00 0.54 N ATOM 710 CA ASP A 46 12.355 -5.367 -0.495 1.00 0.62 C ATOM 711 C ASP A 46 11.826 -4.326 -1.466 1.00 0.65 C ATOM 712 O ASP A 46 12.594 -3.616 -2.108 1.00 0.75 O ATOM 713 CB ASP A 46 12.196 -6.761 -1.093 1.00 0.68 C ATOM 714 CG ASP A 46 12.743 -7.849 -0.188 1.00 1.64 C ATOM 715 OD1 ASP A 46 11.983 -8.341 0.673 1.00 2.48 O ATOM 716 OD2 ASP A 46 13.928 -8.210 -0.342 1.00 1.96 O ATOM 0 H ASP A 46 11.015 -6.046 0.964 1.00 0.54 H new ATOM 0 HA ASP A 46 13.414 -5.186 -0.314 1.00 0.62 H new ATOM 0 HB2 ASP A 46 11.140 -6.951 -1.287 1.00 0.68 H new ATOM 0 HB3 ASP A 46 12.709 -6.801 -2.054 1.00 0.68 H new ATOM 721 N VAL A 47 10.505 -4.232 -1.562 1.00 0.62 N ATOM 722 CA VAL A 47 9.885 -3.262 -2.449 1.00 0.72 C ATOM 723 C VAL A 47 10.270 -1.856 -2.021 1.00 0.75 C ATOM 724 O VAL A 47 10.651 -1.046 -2.834 1.00 0.88 O ATOM 725 CB VAL A 47 8.351 -3.399 -2.448 1.00 0.73 C ATOM 726 CG1 VAL A 47 7.721 -2.381 -3.385 1.00 0.84 C ATOM 727 CG2 VAL A 47 7.949 -4.811 -2.839 1.00 0.76 C ATOM 0 H VAL A 47 9.849 -4.812 -1.040 1.00 0.62 H new ATOM 0 HA VAL A 47 10.243 -3.454 -3.461 1.00 0.72 H new ATOM 0 HB VAL A 47 7.986 -3.202 -1.440 1.00 0.73 H new ATOM 0 HG11 VAL A 47 6.637 -2.494 -3.370 1.00 0.84 H new ATOM 0 HG12 VAL A 47 7.985 -1.375 -3.060 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.089 -2.543 -4.398 1.00 0.84 H new ATOM 0 HG21 VAL A 47 6.862 -4.894 -2.834 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.326 -5.033 -3.837 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.370 -5.520 -2.126 1.00 0.76 H new ATOM 737 N ALA A 48 10.177 -1.626 -0.720 1.00 0.68 N ATOM 738 CA ALA A 48 10.498 -0.360 -0.056 1.00 0.77 C ATOM 739 C ALA A 48 11.988 -0.061 -0.120 1.00 0.86 C ATOM 740 O ALA A 48 12.401 0.977 -0.636 1.00 0.99 O ATOM 741 CB ALA A 48 10.052 -0.424 1.396 1.00 0.70 C ATOM 0 H ALA A 48 9.863 -2.343 -0.066 1.00 0.68 H new ATOM 0 HA ALA A 48 9.971 0.441 -0.575 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.290 0.517 1.892 1.00 0.70 H new ATOM 0 HB2 ALA A 48 8.976 -0.595 1.439 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.569 -1.240 1.900 1.00 0.70 H new ATOM 747 N LYS A 49 12.795 -0.978 0.407 1.00 0.81 N ATOM 748 CA LYS A 49 14.242 -0.803 0.404 1.00 0.92 C ATOM 749 C LYS A 49 14.729 -0.632 -1.027 1.00 0.98 C ATOM 750 O LYS A 49 15.709 0.063 -1.291 1.00 1.11 O ATOM 751 CB LYS A 49 14.925 -2.004 1.067 1.00 0.90 C ATOM 752 CG LYS A 49 16.415 -1.811 1.308 1.00 1.34 C ATOM 753 CD LYS A 49 17.247 -2.224 0.102 1.00 2.07 C ATOM 754 CE LYS A 49 17.134 -3.716 -0.172 1.00 2.67 C ATOM 755 NZ LYS A 49 18.057 -4.155 -1.255 1.00 3.35 N ATOM 0 H LYS A 49 12.473 -1.844 0.839 1.00 0.81 H new ATOM 0 HA LYS A 49 14.498 0.090 0.975 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.436 -2.207 2.020 1.00 0.90 H new ATOM 0 HB3 LYS A 49 14.779 -2.884 0.440 1.00 0.90 H new ATOM 0 HG2 LYS A 49 16.612 -0.765 1.543 1.00 1.34 H new ATOM 0 HG3 LYS A 49 16.720 -2.395 2.176 1.00 1.34 H new ATOM 0 HD2 LYS A 49 16.919 -1.667 -0.775 1.00 2.07 H new ATOM 0 HD3 LYS A 49 18.291 -1.963 0.273 1.00 2.07 H new ATOM 0 HE2 LYS A 49 17.356 -4.270 0.740 1.00 2.67 H new ATOM 0 HE3 LYS A 49 16.108 -3.957 -0.450 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 17.949 -5.178 -1.410 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.830 -3.645 -2.133 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 19.038 -3.949 -0.979 1.00 3.35 H new ATOM 769 N ASP A 50 14.030 -1.281 -1.945 1.00 0.91 N ATOM 770 CA ASP A 50 14.359 -1.202 -3.356 1.00 1.00 C ATOM 771 C ASP A 50 13.576 -0.072 -4.028 1.00 1.12 C ATOM 772 O ASP A 50 13.916 0.361 -5.130 1.00 1.28 O ATOM 773 CB ASP A 50 14.060 -2.535 -4.044 1.00 0.94 C ATOM 774 CG ASP A 50 14.808 -2.693 -5.353 1.00 1.38 C ATOM 775 OD1 ASP A 50 15.976 -3.135 -5.320 1.00 2.00 O ATOM 776 OD2 ASP A 50 14.227 -2.372 -6.411 1.00 1.45 O ATOM 0 H ASP A 50 13.226 -1.872 -1.734 1.00 0.91 H new ATOM 0 HA ASP A 50 15.424 -0.988 -3.451 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.327 -3.353 -3.375 1.00 0.94 H new ATOM 0 HB3 ASP A 50 12.989 -2.612 -4.230 1.00 0.94 H new ATOM 781 N TYR A 51 12.521 0.402 -3.358 1.00 1.07 N ATOM 782 CA TYR A 51 11.692 1.465 -3.897 1.00 1.22 C ATOM 783 C TYR A 51 12.351 2.818 -3.703 1.00 1.37 C ATOM 784 O TYR A 51 12.722 3.496 -4.662 1.00 1.51 O ATOM 785 CB TYR A 51 10.313 1.504 -3.246 1.00 1.20 C ATOM 786 CG TYR A 51 9.213 0.813 -4.041 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.508 -0.056 -5.089 1.00 1.68 C ATOM 788 CD2 TYR A 51 7.872 1.039 -3.741 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.504 -0.672 -5.811 1.00 1.87 C ATOM 790 CE2 TYR A 51 6.865 0.422 -4.458 1.00 1.18 C ATOM 791 CZ TYR A 51 7.186 -0.431 -5.492 1.00 1.57 C ATOM 792 OH TYR A 51 6.185 -1.045 -6.209 1.00 1.77 O ATOM 0 H TYR A 51 12.227 0.061 -2.442 1.00 1.07 H new ATOM 0 HA TYR A 51 11.576 1.253 -4.960 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.378 1.039 -2.262 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.030 2.545 -3.089 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.540 -0.252 -5.342 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.615 1.708 -2.934 1.00 1.11 H new ATOM 0 HE1 TYR A 51 8.752 -1.340 -6.623 1.00 1.87 H new ATOM 0 HE2 TYR A 51 5.830 0.607 -4.209 1.00 1.18 H new ATOM 0 HH TYR A 51 5.313 -0.769 -5.856 1.00 1.77 H new ATOM 802 N GLU A 52 12.489 3.196 -2.434 1.00 1.35 N ATOM 803 CA GLU A 52 13.080 4.474 -2.071 1.00 1.51 C ATOM 804 C GLU A 52 14.595 4.364 -1.943 1.00 1.55 C ATOM 805 O GLU A 52 15.337 5.206 -2.449 1.00 1.70 O ATOM 806 CB GLU A 52 12.484 4.981 -0.754 1.00 1.52 C ATOM 807 CG GLU A 52 12.886 4.153 0.455 1.00 1.43 C ATOM 808 CD GLU A 52 12.269 4.662 1.743 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.703 5.728 2.228 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.354 3.992 2.268 1.00 1.20 O ATOM 0 H GLU A 52 12.196 2.629 -1.638 1.00 1.35 H new ATOM 0 HA GLU A 52 12.853 5.184 -2.866 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.797 6.013 -0.597 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.397 4.986 -0.835 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.585 3.117 0.297 1.00 1.43 H new ATOM 0 HG3 GLU A 52 13.972 4.159 0.550 1.00 1.43 H new ATOM 817 N ASP A 53 15.042 3.318 -1.262 1.00 1.43 N ATOM 818 CA ASP A 53 16.464 3.088 -1.051 1.00 1.48 C ATOM 819 C ASP A 53 17.102 2.398 -2.255 1.00 1.47 C ATOM 820 O ASP A 53 18.320 2.435 -2.425 1.00 1.59 O ATOM 821 CB ASP A 53 16.666 2.251 0.211 1.00 1.40 C ATOM 822 CG ASP A 53 16.663 3.096 1.469 1.00 1.76 C ATOM 823 OD1 ASP A 53 17.723 3.662 1.808 1.00 1.84 O ATOM 824 OD2 ASP A 53 15.599 3.192 2.118 1.00 2.30 O ATOM 0 H ASP A 53 14.436 2.612 -0.844 1.00 1.43 H new ATOM 0 HA ASP A 53 16.954 4.054 -0.928 1.00 1.48 H new ATOM 0 HB2 ASP A 53 15.877 1.502 0.277 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.611 1.713 0.140 1.00 1.40 H new ATOM 829 N GLY A 54 16.277 1.772 -3.089 1.00 1.36 N ATOM 830 CA GLY A 54 16.790 1.092 -4.263 1.00 1.37 C ATOM 831 C GLY A 54 17.157 2.057 -5.375 1.00 1.49 C ATOM 832 O GLY A 54 18.109 1.823 -6.120 1.00 1.61 O ATOM 0 H GLY A 54 15.265 1.724 -2.973 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.668 0.509 -3.987 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.042 0.388 -4.628 1.00 1.37 H new ATOM 836 N LEU A 55 16.400 3.143 -5.486 1.00 1.49 N ATOM 837 CA LEU A 55 16.650 4.148 -6.512 1.00 1.63 C ATOM 838 C LEU A 55 17.786 5.076 -6.092 1.00 1.70 C ATOM 839 O LEU A 55 18.879 5.030 -6.657 1.00 1.78 O ATOM 840 CB LEU A 55 15.384 4.965 -6.778 1.00 1.67 C ATOM 841 CG LEU A 55 15.491 5.969 -7.928 1.00 1.85 C ATOM 842 CD1 LEU A 55 15.664 5.245 -9.255 1.00 2.26 C ATOM 843 CD2 LEU A 55 14.266 6.869 -7.966 1.00 2.34 C ATOM 0 H LEU A 55 15.608 3.350 -4.878 1.00 1.49 H new ATOM 0 HA LEU A 55 16.939 3.633 -7.428 1.00 1.63 H new ATOM 0 HB2 LEU A 55 14.565 4.278 -6.990 1.00 1.67 H new ATOM 0 HB3 LEU A 55 15.120 5.504 -5.868 1.00 1.67 H new ATOM 0 HG LEU A 55 16.370 6.592 -7.760 1.00 1.85 H new ATOM 0 HD11 LEU A 55 15.738 5.975 -10.061 1.00 2.26 H new ATOM 0 HD12 LEU A 55 16.572 4.643 -9.226 1.00 2.26 H new ATOM 0 HD13 LEU A 55 14.805 4.597 -9.431 1.00 2.26 H new ATOM 0 HD21 LEU A 55 14.360 7.576 -8.790 1.00 2.34 H new ATOM 0 HD22 LEU A 55 13.372 6.261 -8.109 1.00 2.34 H new ATOM 0 HD23 LEU A 55 14.187 7.415 -7.026 1.00 2.34 H new ATOM 855 N GLU A 56 17.520 5.916 -5.097 1.00 1.70 N ATOM 856 CA GLU A 56 18.519 6.854 -4.599 1.00 1.80 C ATOM 857 C GLU A 56 19.338 6.234 -3.473 1.00 1.75 C ATOM 858 O GLU A 56 19.289 6.692 -2.330 1.00 1.78 O ATOM 859 CB GLU A 56 17.849 8.135 -4.112 1.00 1.87 C ATOM 860 CG GLU A 56 17.098 8.881 -5.202 1.00 1.94 C ATOM 861 CD GLU A 56 16.526 10.199 -4.718 1.00 2.37 C ATOM 862 OE1 GLU A 56 15.415 10.191 -4.148 1.00 2.95 O ATOM 863 OE2 GLU A 56 17.191 11.239 -4.910 1.00 2.57 O ATOM 0 H GLU A 56 16.620 5.966 -4.619 1.00 1.70 H new ATOM 0 HA GLU A 56 19.193 7.095 -5.421 1.00 1.80 H new ATOM 0 HB2 GLU A 56 17.156 7.889 -3.308 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.608 8.794 -3.689 1.00 1.87 H new ATOM 0 HG2 GLU A 56 17.770 9.067 -6.040 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.289 8.253 -5.576 1.00 1.94 H new ATOM 870 N TYR A 57 20.089 5.188 -3.801 1.00 1.71 N ATOM 871 CA TYR A 57 20.921 4.503 -2.820 1.00 1.68 C ATOM 872 C TYR A 57 22.246 5.235 -2.625 1.00 1.81 C ATOM 873 O TYR A 57 23.208 4.921 -3.358 1.00 2.23 O ATOM 874 CB TYR A 57 21.183 3.061 -3.260 1.00 1.60 C ATOM 875 CG TYR A 57 21.914 2.234 -2.226 1.00 1.59 C ATOM 876 CD1 TYR A 57 23.300 2.259 -2.144 1.00 1.67 C ATOM 877 CD2 TYR A 57 21.217 1.430 -1.333 1.00 1.54 C ATOM 878 CE1 TYR A 57 23.972 1.503 -1.201 1.00 1.68 C ATOM 879 CE2 TYR A 57 21.881 0.673 -0.388 1.00 1.58 C ATOM 880 CZ TYR A 57 23.258 0.713 -0.325 1.00 1.64 C ATOM 881 OH TYR A 57 23.922 -0.040 0.616 1.00 1.69 O ATOM 882 OXT TYR A 57 22.310 6.117 -1.743 1.00 2.06 O ATOM 0 H TYR A 57 20.138 4.796 -4.741 1.00 1.71 H new ATOM 0 HA TYR A 57 20.387 4.495 -1.870 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.231 2.582 -3.489 1.00 1.60 H new ATOM 0 HB3 TYR A 57 21.765 3.072 -4.182 1.00 1.60 H new ATOM 0 HD1 TYR A 57 23.862 2.879 -2.827 1.00 1.67 H new ATOM 0 HD2 TYR A 57 20.138 1.396 -1.379 1.00 1.54 H new ATOM 0 HE1 TYR A 57 25.050 1.531 -1.151 1.00 1.68 H new ATOM 0 HE2 TYR A 57 21.324 0.052 0.299 1.00 1.58 H new ATOM 0 HH TYR A 57 23.272 -0.538 1.154 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -14.815 -11.246 1.768 1.00 5.20 N ATOM 894 CA ALA B 1 -13.485 -10.637 1.503 1.00 4.69 C ATOM 895 C ALA B 1 -13.518 -9.128 1.731 1.00 3.91 C ATOM 896 O ALA B 1 -14.024 -8.379 0.894 1.00 3.61 O ATOM 897 CB ALA B 1 -13.042 -10.945 0.080 1.00 4.99 C ATOM 0 H1 ALA B 1 -14.766 -12.272 1.606 1.00 5.20 H new ATOM 0 H2 ALA B 1 -15.090 -11.064 2.754 1.00 5.20 H new ATOM 0 H3 ALA B 1 -15.522 -10.828 1.129 1.00 5.20 H new ATOM 0 HA ALA B 1 -12.767 -11.069 2.200 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -12.067 -10.494 -0.103 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -12.974 -12.025 -0.054 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -13.768 -10.537 -0.623 1.00 4.99 H new ATOM 905 N PRO B 2 -12.979 -8.657 2.870 1.00 3.99 N ATOM 906 CA PRO B 2 -12.952 -7.231 3.201 1.00 3.65 C ATOM 907 C PRO B 2 -12.537 -6.364 2.013 1.00 2.77 C ATOM 908 O PRO B 2 -11.365 -6.332 1.639 1.00 2.79 O ATOM 909 CB PRO B 2 -11.906 -7.158 4.310 1.00 4.44 C ATOM 910 CG PRO B 2 -12.004 -8.476 4.996 1.00 5.12 C ATOM 911 CD PRO B 2 -12.350 -9.478 3.926 1.00 4.90 C ATOM 0 HA PRO B 2 -13.934 -6.856 3.491 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -10.908 -6.994 3.905 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -12.111 -6.336 4.996 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -11.063 -8.734 5.482 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -12.768 -8.455 5.773 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -11.463 -9.994 3.558 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -13.032 -10.243 4.298 1.00 4.90 H new ATOM 919 N PRO B 3 -13.499 -5.649 1.402 1.00 2.55 N ATOM 920 CA PRO B 3 -13.226 -4.781 0.252 1.00 2.38 C ATOM 921 C PRO B 3 -12.411 -3.550 0.634 1.00 2.11 C ATOM 922 O PRO B 3 -12.906 -2.424 0.581 1.00 2.74 O ATOM 923 CB PRO B 3 -14.621 -4.372 -0.225 1.00 3.12 C ATOM 924 CG PRO B 3 -15.486 -4.492 0.981 1.00 3.56 C ATOM 925 CD PRO B 3 -14.924 -5.631 1.784 1.00 3.22 C ATOM 0 HA PRO B 3 -12.633 -5.289 -0.509 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -14.623 -3.354 -0.614 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -14.970 -5.021 -1.028 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -15.480 -3.568 1.559 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -16.521 -4.686 0.701 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -15.051 -5.469 2.854 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -15.416 -6.573 1.544 1.00 3.22 H new ATOM 933 N GLY B 4 -11.158 -3.773 1.018 1.00 1.73 N ATOM 934 CA GLY B 4 -10.291 -2.675 1.405 1.00 1.69 C ATOM 935 C GLY B 4 -8.953 -2.713 0.694 1.00 1.53 C ATOM 936 O GLY B 4 -7.931 -2.365 1.274 1.00 2.11 O ATOM 0 H GLY B 4 -10.727 -4.696 1.068 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -10.788 -1.730 1.187 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -10.127 -2.708 2.482 1.00 1.69 H new ATOM 940 N THR B 5 -8.962 -3.121 -0.571 1.00 1.20 N ATOM 941 CA THR B 5 -7.729 -3.224 -1.351 1.00 1.17 C ATOM 942 C THR B 5 -7.983 -3.051 -2.843 1.00 1.11 C ATOM 943 O THR B 5 -9.080 -3.329 -3.328 1.00 1.30 O ATOM 944 CB THR B 5 -7.036 -4.580 -1.116 1.00 1.49 C ATOM 945 OG1 THR B 5 -7.854 -5.642 -1.622 1.00 1.85 O ATOM 946 CG2 THR B 5 -6.773 -4.800 0.365 1.00 1.82 C ATOM 0 H THR B 5 -9.806 -3.386 -1.079 1.00 1.20 H new ATOM 0 HA THR B 5 -7.080 -2.417 -1.011 1.00 1.17 H new ATOM 0 HB THR B 5 -6.082 -4.573 -1.643 1.00 1.49 H new ATOM 0 HG1 THR B 5 -7.406 -6.500 -1.471 1.00 1.85 H new ATOM 0 HG21 THR B 5 -6.283 -5.763 0.508 1.00 1.82 H new ATOM 0 HG22 THR B 5 -6.129 -4.006 0.742 1.00 1.82 H new ATOM 0 HG23 THR B 5 -7.718 -4.789 0.908 1.00 1.82 H new ATOM 954 N ALA B 6 -6.967 -2.587 -3.576 1.00 1.15 N ATOM 955 CA ALA B 6 -7.112 -2.403 -5.019 1.00 1.27 C ATOM 956 C ALA B 6 -5.777 -2.370 -5.768 1.00 1.57 C ATOM 957 O ALA B 6 -5.354 -3.375 -6.341 1.00 1.86 O ATOM 958 CB ALA B 6 -7.893 -1.136 -5.299 1.00 1.16 C ATOM 0 H ALA B 6 -6.052 -2.336 -3.201 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.653 -3.273 -5.391 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.998 -1.004 -6.376 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.881 -1.210 -4.844 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -7.363 -0.281 -4.879 1.00 1.16 H new ATOM 964 N ARG B 7 -5.117 -1.212 -5.760 1.00 2.16 N ATOM 965 CA ARG B 7 -3.859 -1.035 -6.488 1.00 2.49 C ATOM 966 C ARG B 7 -2.918 -2.234 -6.347 1.00 1.97 C ATOM 967 O ARG B 7 -3.037 -3.200 -7.100 1.00 2.16 O ATOM 968 CB ARG B 7 -3.159 0.253 -6.057 1.00 3.50 C ATOM 969 CG ARG B 7 -1.954 0.606 -6.917 1.00 4.23 C ATOM 970 CD ARG B 7 -2.357 0.857 -8.361 1.00 5.24 C ATOM 971 NE ARG B 7 -1.206 1.162 -9.205 1.00 5.78 N ATOM 972 CZ ARG B 7 -1.308 1.589 -10.460 1.00 6.67 C ATOM 973 NH1 ARG B 7 -2.502 1.773 -11.005 1.00 7.13 N ATOM 974 NH2 ARG B 7 -0.214 1.837 -11.169 1.00 7.29 N ATOM 0 H ARG B 7 -5.432 -0.382 -5.258 1.00 2.16 H new ATOM 0 HA ARG B 7 -4.118 -0.961 -7.544 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -3.874 1.075 -6.092 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -2.839 0.154 -5.020 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -1.465 1.493 -6.515 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -1.226 -0.205 -6.876 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -2.871 -0.021 -8.752 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -3.065 1.685 -8.401 1.00 5.24 H new ATOM 0 HE ARG B 7 -0.273 1.041 -8.811 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -3.345 1.587 -10.461 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -2.578 2.101 -11.968 1.00 7.13 H new ATOM 0 HH21 ARG B 7 0.706 1.700 -10.751 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -0.294 2.165 -12.132 1.00 7.29 H new ATOM 988 N ARG B 8 -1.980 -2.188 -5.392 1.00 1.65 N ATOM 989 CA ARG B 8 -1.035 -3.283 -5.237 1.00 1.81 C ATOM 990 C ARG B 8 -1.439 -4.239 -4.122 1.00 2.34 C ATOM 991 O ARG B 8 -1.534 -3.856 -2.956 1.00 3.35 O ATOM 992 CB ARG B 8 0.366 -2.731 -4.983 1.00 2.17 C ATOM 993 CG ARG B 8 0.807 -1.687 -6.004 1.00 2.70 C ATOM 994 CD ARG B 8 0.415 -2.075 -7.420 1.00 3.52 C ATOM 995 NE ARG B 8 0.978 -3.365 -7.812 1.00 4.36 N ATOM 996 CZ ARG B 8 0.746 -3.943 -8.985 1.00 5.31 C ATOM 997 NH1 ARG B 8 -0.025 -3.342 -9.881 1.00 5.56 N ATOM 998 NH2 ARG B 8 1.287 -5.121 -9.264 1.00 6.23 N ATOM 0 H ARG B 8 -1.862 -1.419 -4.732 1.00 1.65 H new ATOM 0 HA ARG B 8 -1.038 -3.854 -6.166 1.00 1.81 H new ATOM 0 HB2 ARG B 8 0.398 -2.289 -3.987 1.00 2.17 H new ATOM 0 HB3 ARG B 8 1.079 -3.556 -4.989 1.00 2.17 H new ATOM 0 HG2 ARG B 8 0.360 -0.725 -5.755 1.00 2.70 H new ATOM 0 HG3 ARG B 8 1.888 -1.560 -5.949 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -0.672 -2.116 -7.497 1.00 3.52 H new ATOM 0 HD3 ARG B 8 0.755 -1.306 -8.113 1.00 3.52 H new ATOM 0 HE ARG B 8 1.583 -3.848 -7.148 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -0.441 -2.435 -9.670 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -0.202 -3.787 -10.782 1.00 5.56 H new ATOM 0 HH21 ARG B 8 1.882 -5.584 -8.577 1.00 6.23 H new ATOM 0 HH22 ARG B 8 1.108 -5.564 -10.165 1.00 6.23 H new ATOM 1012 N LYS B 9 -1.675 -5.491 -4.502 1.00 1.97 N ATOM 1013 CA LYS B 9 -2.060 -6.529 -3.548 1.00 2.57 C ATOM 1014 C LYS B 9 -1.501 -7.891 -3.973 1.00 1.88 C ATOM 1015 O LYS B 9 -2.237 -8.876 -4.039 1.00 1.98 O ATOM 1016 CB LYS B 9 -3.586 -6.607 -3.431 1.00 3.57 C ATOM 1017 CG LYS B 9 -4.068 -7.502 -2.300 1.00 4.55 C ATOM 1018 CD LYS B 9 -3.541 -7.032 -0.953 1.00 5.55 C ATOM 1019 CE LYS B 9 -4.233 -7.748 0.196 1.00 6.48 C ATOM 1020 NZ LYS B 9 -4.100 -9.227 0.092 1.00 7.18 N ATOM 0 H LYS B 9 -1.606 -5.813 -5.467 1.00 1.97 H new ATOM 0 HA LYS B 9 -1.642 -6.268 -2.576 1.00 2.57 H new ATOM 0 HB2 LYS B 9 -3.982 -5.602 -3.281 1.00 3.57 H new ATOM 0 HB3 LYS B 9 -3.995 -6.974 -4.372 1.00 3.57 H new ATOM 0 HG2 LYS B 9 -5.158 -7.512 -2.282 1.00 4.55 H new ATOM 0 HG3 LYS B 9 -3.743 -8.526 -2.482 1.00 4.55 H new ATOM 0 HD2 LYS B 9 -2.467 -7.209 -0.899 1.00 5.55 H new ATOM 0 HD3 LYS B 9 -3.692 -5.957 -0.857 1.00 5.55 H new ATOM 0 HE2 LYS B 9 -3.808 -7.411 1.142 1.00 6.48 H new ATOM 0 HE3 LYS B 9 -5.289 -7.479 0.207 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 -5.008 -9.637 -0.207 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 -3.367 -9.461 -0.608 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 -3.832 -9.617 1.018 1.00 7.18 H new ATOM 1034 N ARG B 10 -0.198 -7.944 -4.264 1.00 1.72 N ATOM 1035 CA ARG B 10 0.444 -9.186 -4.684 1.00 1.51 C ATOM 1036 C ARG B 10 1.385 -9.710 -3.602 1.00 1.39 C ATOM 1037 O ARG B 10 1.737 -10.889 -3.591 1.00 1.77 O ATOM 1038 CB ARG B 10 1.223 -8.969 -5.983 1.00 1.88 C ATOM 1039 CG ARG B 10 2.320 -7.922 -5.868 1.00 2.02 C ATOM 1040 CD ARG B 10 3.092 -7.775 -7.170 1.00 2.74 C ATOM 1041 NE ARG B 10 3.829 -8.988 -7.511 1.00 2.98 N ATOM 1042 CZ ARG B 10 4.469 -9.160 -8.664 1.00 3.73 C ATOM 1043 NH1 ARG B 10 4.449 -8.206 -9.584 1.00 4.23 N ATOM 1044 NH2 ARG B 10 5.126 -10.288 -8.898 1.00 4.33 N ATOM 0 H ARG B 10 0.429 -7.141 -4.216 1.00 1.72 H new ATOM 0 HA ARG B 10 -0.338 -9.927 -4.852 1.00 1.51 H new ATOM 0 HB2 ARG B 10 1.667 -9.915 -6.293 1.00 1.88 H new ATOM 0 HB3 ARG B 10 0.528 -8.670 -6.768 1.00 1.88 H new ATOM 0 HG2 ARG B 10 1.881 -6.963 -5.594 1.00 2.02 H new ATOM 0 HG3 ARG B 10 3.006 -8.199 -5.067 1.00 2.02 H new ATOM 0 HD2 ARG B 10 2.399 -7.533 -7.976 1.00 2.74 H new ATOM 0 HD3 ARG B 10 3.788 -6.940 -7.086 1.00 2.74 H new ATOM 0 HE ARG B 10 3.855 -9.745 -6.828 1.00 2.98 H new ATOM 0 HH11 ARG B 10 3.942 -7.338 -9.408 1.00 4.23 H new ATOM 0 HH12 ARG B 10 4.940 -8.339 -10.468 1.00 4.23 H new ATOM 0 HH21 ARG B 10 5.141 -11.025 -8.193 1.00 4.33 H new ATOM 0 HH22 ARG B 10 5.616 -10.418 -9.783 1.00 4.33 H new ATOM 1058 N LYS B 11 1.793 -8.823 -2.698 1.00 1.29 N ATOM 1059 CA LYS B 11 2.690 -9.189 -1.611 1.00 1.35 C ATOM 1060 C LYS B 11 4.061 -9.591 -2.142 1.00 1.21 C ATOM 1061 O LYS B 11 4.276 -10.742 -2.524 1.00 1.55 O ATOM 1062 CB LYS B 11 2.099 -10.332 -0.782 1.00 1.85 C ATOM 1063 CG LYS B 11 0.816 -9.967 -0.051 1.00 2.93 C ATOM 1064 CD LYS B 11 -0.391 -9.965 -0.977 1.00 3.41 C ATOM 1065 CE LYS B 11 -0.642 -11.342 -1.572 1.00 4.24 C ATOM 1066 NZ LYS B 11 -1.913 -11.389 -2.346 1.00 4.49 N ATOM 0 H LYS B 11 1.514 -7.842 -2.699 1.00 1.29 H new ATOM 0 HA LYS B 11 2.808 -8.313 -0.973 1.00 1.35 H new ATOM 0 HB2 LYS B 11 1.902 -11.179 -1.439 1.00 1.85 H new ATOM 0 HB3 LYS B 11 2.840 -10.659 -0.053 1.00 1.85 H new ATOM 0 HG2 LYS B 11 0.648 -10.675 0.761 1.00 2.93 H new ATOM 0 HG3 LYS B 11 0.926 -8.982 0.403 1.00 2.93 H new ATOM 0 HD2 LYS B 11 -1.273 -9.640 -0.425 1.00 3.41 H new ATOM 0 HD3 LYS B 11 -0.234 -9.244 -1.779 1.00 3.41 H new ATOM 0 HE2 LYS B 11 0.189 -11.613 -2.222 1.00 4.24 H new ATOM 0 HE3 LYS B 11 -0.676 -12.082 -0.773 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 -1.920 -12.235 -2.951 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 -2.718 -11.426 -1.689 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -1.989 -10.539 -2.940 1.00 4.49 H new ATOM 1080 N ALA B 12 4.986 -8.637 -2.161 1.00 0.95 N ATOM 1081 CA ALA B 12 6.339 -8.895 -2.634 1.00 1.15 C ATOM 1082 C ALA B 12 7.126 -9.688 -1.599 1.00 1.48 C ATOM 1083 O ALA B 12 8.069 -10.406 -1.932 1.00 2.05 O ATOM 1084 CB ALA B 12 7.048 -7.587 -2.945 1.00 1.09 C ATOM 0 H ALA B 12 4.822 -7.678 -1.854 1.00 0.95 H new ATOM 0 HA ALA B 12 6.277 -9.486 -3.548 1.00 1.15 H new ATOM 0 HB1 ALA B 12 8.058 -7.796 -3.297 1.00 1.09 H new ATOM 0 HB2 ALA B 12 6.498 -7.050 -3.717 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.097 -6.976 -2.043 1.00 1.09 H new ATOM 1090 N ASP B 13 6.728 -9.549 -0.339 1.00 1.42 N ATOM 1091 CA ASP B 13 7.388 -10.246 0.754 1.00 1.79 C ATOM 1092 C ASP B 13 6.479 -11.322 1.338 1.00 1.88 C ATOM 1093 O ASP B 13 6.947 -12.369 1.783 1.00 2.28 O ATOM 1094 CB ASP B 13 7.790 -9.247 1.842 1.00 2.20 C ATOM 1095 CG ASP B 13 8.371 -9.927 3.068 1.00 3.02 C ATOM 1096 OD1 ASP B 13 9.602 -10.130 3.106 1.00 3.80 O ATOM 1097 OD2 ASP B 13 7.594 -10.255 3.989 1.00 3.28 O ATOM 0 H ASP B 13 5.949 -8.957 -0.051 1.00 1.42 H new ATOM 0 HA ASP B 13 8.283 -10.731 0.365 1.00 1.79 H new ATOM 0 HB2 ASP B 13 8.522 -8.548 1.437 1.00 2.20 H new ATOM 0 HB3 ASP B 13 6.918 -8.662 2.134 1.00 2.20 H new ATOM 1102 N SER B 14 5.176 -11.057 1.331 1.00 2.21 N ATOM 1103 CA SER B 14 4.202 -12.003 1.860 1.00 2.81 C ATOM 1104 C SER B 14 4.482 -12.305 3.328 1.00 3.10 C ATOM 1105 O SER B 14 3.969 -11.564 4.193 1.00 3.52 O ATOM 1106 CB SER B 14 4.224 -13.298 1.047 1.00 3.34 C ATOM 1107 OG SER B 14 3.312 -14.247 1.574 1.00 3.91 O ATOM 1108 OXT SER B 14 5.212 -13.281 3.603 1.00 3.46 O ATOM 0 H SER B 14 4.771 -10.195 0.965 1.00 2.21 H new ATOM 0 HA SER B 14 3.213 -11.551 1.782 1.00 2.81 H new ATOM 0 HB2 SER B 14 3.971 -13.084 0.009 1.00 3.34 H new ATOM 0 HB3 SER B 14 5.231 -13.716 1.050 1.00 3.34 H new ATOM 0 HG SER B 14 3.344 -15.065 1.036 1.00 3.91 H new TER 1114 SER B 14