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: A 21 LYS NZ :NH3+ -164:sc= -2.35 (180deg=-2.83) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 2 SER OG : rot 23:sc= 0.986 USER MOD Set 2.2: A 3 GLN : amide:sc= -0.687 K(o=0.3,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 1.65 (180deg=-0.242) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0242 (180deg=-0.228) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 160:sc= -3.94! USER MOD Single : A 39 LYS NZ :NH3+ -171:sc=-0.000149 (180deg=-0.111) USER MOD Single : A 42 HIS : no HE2:sc= -2.67! C(o=-2.7!,f=-6.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=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 32:sc= -18.7! USER MOD Single : B 9 LYS NZ :NH3+ -167:sc=-0.00114 (180deg=-0.183) USER MOD Single : B 11 LYS NZ :NH3+ -158:sc= -0.103 (180deg=-0.846) USER MOD Single : B 14 SER OG : rot 77:sc= -2.89! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.482 3.967 -7.273 1.00 2.97 N ATOM 2 CA GLY A 1 9.934 4.034 -7.597 1.00 2.83 C ATOM 3 C GLY A 1 10.686 5.028 -6.730 1.00 2.42 C ATOM 4 O GLY A 1 11.633 5.662 -7.192 1.00 2.48 O ATOM 0 H1 GLY A 1 7.934 3.869 -8.152 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.301 3.147 -6.659 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.195 4.838 -6.781 1.00 2.97 H new ATOM 0 HA2 GLY A 1 10.375 3.045 -7.473 1.00 2.83 H new ATOM 0 HA3 GLY A 1 10.055 4.308 -8.645 1.00 2.83 H new ATOM 10 N SER A 2 10.268 5.162 -5.467 1.00 2.16 N ATOM 11 CA SER A 2 10.913 6.097 -4.528 1.00 2.05 C ATOM 12 C SER A 2 10.045 6.377 -3.302 1.00 1.75 C ATOM 13 O SER A 2 10.543 6.867 -2.288 1.00 1.62 O ATOM 14 CB SER A 2 11.250 7.424 -5.213 1.00 2.84 C ATOM 15 OG SER A 2 10.163 7.887 -5.996 1.00 3.15 O ATOM 0 H SER A 2 9.489 4.638 -5.069 1.00 2.16 H new ATOM 0 HA SER A 2 11.831 5.611 -4.198 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.504 8.171 -4.460 1.00 2.84 H new ATOM 0 HB3 SER A 2 12.129 7.297 -5.845 1.00 2.84 H new ATOM 0 HG SER A 2 9.329 7.495 -5.662 1.00 3.15 H new ATOM 21 N GLN A 3 8.755 6.070 -3.385 1.00 1.94 N ATOM 22 CA GLN A 3 7.857 6.298 -2.267 1.00 1.65 C ATOM 23 C GLN A 3 7.851 5.100 -1.332 1.00 1.12 C ATOM 24 O GLN A 3 7.919 3.953 -1.770 1.00 1.83 O ATOM 25 CB GLN A 3 6.447 6.581 -2.767 1.00 2.43 C ATOM 26 CG GLN A 3 6.276 7.972 -3.356 1.00 3.29 C ATOM 27 CD GLN A 3 7.186 8.222 -4.543 1.00 4.00 C ATOM 28 OE1 GLN A 3 7.550 7.294 -5.266 1.00 4.57 O ATOM 29 NE2 GLN A 3 7.556 9.480 -4.752 1.00 4.45 N ATOM 0 H GLN A 3 8.313 5.665 -4.211 1.00 1.94 H new ATOM 0 HA GLN A 3 8.214 7.167 -1.714 1.00 1.65 H new ATOM 0 HB2 GLN A 3 6.183 5.841 -3.523 1.00 2.43 H new ATOM 0 HB3 GLN A 3 5.746 6.457 -1.941 1.00 2.43 H new ATOM 0 HG2 GLN A 3 5.239 8.107 -3.664 1.00 3.29 H new ATOM 0 HG3 GLN A 3 6.479 8.716 -2.585 1.00 3.29 H new ATOM 0 HE21 GLN A 3 7.230 10.218 -4.127 1.00 4.45 H new ATOM 0 HE22 GLN A 3 8.166 9.709 -5.537 1.00 4.45 H new ATOM 38 N VAL A 4 7.770 5.381 -0.038 1.00 0.52 N ATOM 39 CA VAL A 4 7.770 4.338 0.970 1.00 1.23 C ATOM 40 C VAL A 4 6.353 3.871 1.263 1.00 1.08 C ATOM 41 O VAL A 4 5.948 3.758 2.419 1.00 1.66 O ATOM 42 CB VAL A 4 8.440 4.818 2.274 1.00 2.03 C ATOM 43 CG1 VAL A 4 7.608 5.895 2.958 1.00 3.08 C ATOM 44 CG2 VAL A 4 8.689 3.645 3.206 1.00 2.57 C ATOM 0 H VAL A 4 7.703 6.328 0.336 1.00 0.52 H new ATOM 0 HA VAL A 4 8.346 3.502 0.573 1.00 1.23 H new ATOM 0 HB VAL A 4 9.402 5.262 2.018 1.00 2.03 H new ATOM 0 HG11 VAL A 4 8.106 6.213 3.874 1.00 3.08 H new ATOM 0 HG12 VAL A 4 7.498 6.749 2.290 1.00 3.08 H new ATOM 0 HG13 VAL A 4 6.624 5.495 3.201 1.00 3.08 H new ATOM 0 HG21 VAL A 4 9.162 4.001 4.121 1.00 2.57 H new ATOM 0 HG22 VAL A 4 7.740 3.167 3.450 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.343 2.924 2.716 1.00 2.57 H new ATOM 54 N PHE A 5 5.603 3.591 0.203 1.00 0.41 N ATOM 55 CA PHE A 5 4.233 3.130 0.349 1.00 0.40 C ATOM 56 C PHE A 5 3.597 2.818 -1.012 1.00 0.40 C ATOM 57 O PHE A 5 4.188 3.070 -2.061 1.00 0.65 O ATOM 58 CB PHE A 5 3.413 4.187 1.088 1.00 0.52 C ATOM 59 CG PHE A 5 3.742 5.598 0.690 1.00 0.85 C ATOM 60 CD1 PHE A 5 4.711 6.299 -0.010 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.044 5.133 1.959 1.00 1.24 C ATOM 62 CE1 PHE A 5 5.954 6.534 0.546 1.00 2.16 C ATOM 63 CE2 PHE A 5 5.286 5.362 2.520 1.00 1.82 C ATOM 64 CZ PHE A 5 4.340 8.215 -0.034 1.00 1.82 C ATOM 0 H PHE A 5 5.922 3.676 -0.762 1.00 0.41 H new ATOM 0 HA PHE A 5 4.242 2.206 0.927 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.354 4.005 0.905 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.575 4.075 2.160 1.00 0.52 H new ATOM 0 HD1 PHE A 5 4.492 6.666 -1.002 1.00 1.61 H new ATOM 0 HD2 PHE A 5 3.300 4.585 2.517 1.00 1.24 H new ATOM 0 HE1 PHE A 5 6.908 6.212 0.937 1.00 2.16 H new ATOM 0 HE2 PHE A 5 6.032 4.997 3.210 1.00 1.82 H new ATOM 0 HZ PHE A 5 3.824 9.020 -0.537 1.00 1.82 H new ATOM 74 N GLU A 6 2.387 2.267 -0.971 1.00 0.26 N ATOM 75 CA GLU A 6 1.639 1.897 -2.168 1.00 0.29 C ATOM 76 C GLU A 6 0.144 1.952 -1.866 1.00 0.27 C ATOM 77 O GLU A 6 -0.308 1.344 -0.900 1.00 0.32 O ATOM 78 CB GLU A 6 2.030 0.491 -2.635 1.00 0.35 C ATOM 79 CG GLU A 6 1.184 -0.013 -3.794 1.00 1.04 C ATOM 80 CD GLU A 6 1.468 0.725 -5.087 1.00 1.84 C ATOM 81 OE1 GLU A 6 2.362 0.283 -5.838 1.00 2.41 O ATOM 82 OE2 GLU A 6 0.798 1.746 -5.349 1.00 2.36 O ATOM 0 H GLU A 6 1.895 2.064 -0.101 1.00 0.26 H new ATOM 0 HA GLU A 6 1.876 2.600 -2.967 1.00 0.29 H new ATOM 0 HB2 GLU A 6 3.078 0.493 -2.933 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.938 -0.201 -1.798 1.00 0.35 H new ATOM 0 HG2 GLU A 6 1.370 -1.077 -3.939 1.00 1.04 H new ATOM 0 HG3 GLU A 6 0.129 0.095 -3.543 1.00 1.04 H new ATOM 89 N TYR A 7 -0.631 2.638 -2.703 1.00 0.26 N ATOM 90 CA TYR A 7 -2.056 2.772 -2.461 1.00 0.26 C ATOM 91 C TYR A 7 -2.862 1.622 -3.053 1.00 0.24 C ATOM 92 O TYR A 7 -2.992 1.498 -4.272 1.00 0.32 O ATOM 93 CB TYR A 7 -2.553 4.103 -3.025 1.00 0.31 C ATOM 94 CG TYR A 7 -2.386 4.231 -4.522 1.00 0.41 C ATOM 95 CD1 TYR A 7 -1.197 4.694 -5.069 1.00 1.25 C ATOM 96 CD2 TYR A 7 -3.419 3.892 -5.387 1.00 1.40 C ATOM 97 CE1 TYR A 7 -1.040 4.815 -6.437 1.00 1.45 C ATOM 98 CE2 TYR A 7 -3.270 4.009 -6.756 1.00 1.70 C ATOM 99 CZ TYR A 7 -2.079 4.471 -7.275 1.00 1.28 C ATOM 100 OH TYR A 7 -1.927 4.591 -8.638 1.00 1.73 O ATOM 0 H TYR A 7 -0.295 3.104 -3.546 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.205 2.744 -1.382 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.607 4.222 -2.775 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.016 4.917 -2.538 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -0.381 4.964 -4.415 1.00 1.25 H new ATOM 0 HD2 TYR A 7 -4.353 3.531 -4.983 1.00 1.40 H new ATOM 0 HE1 TYR A 7 -0.109 5.177 -6.847 1.00 1.45 H new ATOM 0 HE2 TYR A 7 -4.082 3.740 -7.416 1.00 1.70 H new ATOM 0 HH TYR A 7 -2.751 4.307 -9.085 1.00 1.73 H new ATOM 110 N ALA A 8 -3.401 0.781 -2.171 1.00 0.23 N ATOM 111 CA ALA A 8 -4.228 -0.346 -2.593 1.00 0.26 C ATOM 112 C ALA A 8 -5.689 0.086 -2.611 1.00 0.28 C ATOM 113 O ALA A 8 -6.559 -0.581 -2.052 1.00 0.38 O ATOM 114 CB ALA A 8 -4.031 -1.536 -1.662 1.00 0.35 C ATOM 0 H ALA A 8 -3.279 0.860 -1.161 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.931 -0.656 -3.595 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.656 -2.365 -1.994 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.985 -1.841 -1.678 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.311 -1.254 -0.647 1.00 0.35 H new ATOM 120 N GLU A 9 -5.938 1.216 -3.264 1.00 0.25 N ATOM 121 CA GLU A 9 -7.261 1.807 -3.334 1.00 0.32 C ATOM 122 C GLU A 9 -7.900 1.695 -4.698 1.00 0.33 C ATOM 123 O GLU A 9 -7.236 1.679 -5.735 1.00 0.44 O ATOM 124 CB GLU A 9 -7.138 3.257 -2.859 1.00 0.41 C ATOM 125 CG GLU A 9 -7.913 4.298 -3.642 1.00 0.36 C ATOM 126 CD GLU A 9 -7.367 4.524 -5.041 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.323 5.198 -5.168 1.00 2.65 O ATOM 128 OE2 GLU A 9 -7.981 4.026 -6.007 1.00 2.80 O ATOM 0 H GLU A 9 -5.222 1.747 -3.760 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.939 1.252 -2.685 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -7.461 3.303 -1.819 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.084 3.533 -2.877 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.956 3.989 -3.712 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.896 5.241 -3.096 1.00 0.36 H new ATOM 135 N VAL A 10 -9.217 1.621 -4.654 1.00 0.24 N ATOM 136 CA VAL A 10 -10.024 1.519 -5.837 1.00 0.27 C ATOM 137 C VAL A 10 -10.386 2.904 -6.343 1.00 0.27 C ATOM 138 O VAL A 10 -10.467 3.143 -7.548 1.00 0.35 O ATOM 139 CB VAL A 10 -11.285 0.709 -5.553 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.128 0.572 -6.815 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.914 -0.655 -4.986 1.00 0.31 C ATOM 0 H VAL A 10 -9.753 1.631 -3.786 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.451 1.004 -6.608 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.884 1.235 -4.810 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -13.023 -0.009 -6.593 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.416 1.562 -7.169 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.548 0.065 -7.586 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.821 -1.225 -4.787 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.298 -1.193 -5.706 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.357 -0.524 -4.058 1.00 0.31 H new ATOM 151 N ASP A 11 -10.609 3.810 -5.402 1.00 0.23 N ATOM 152 CA ASP A 11 -10.934 5.191 -5.728 1.00 0.26 C ATOM 153 C ASP A 11 -10.268 6.172 -4.762 1.00 0.24 C ATOM 154 O ASP A 11 -9.800 7.234 -5.174 1.00 0.28 O ATOM 155 CB ASP A 11 -12.446 5.402 -5.699 1.00 0.31 C ATOM 156 CG ASP A 11 -15.506 3.558 -5.997 1.00 1.76 C ATOM 157 OD1 ASP A 11 -16.180 3.256 -7.004 1.00 2.19 O ATOM 158 OD2 ASP A 11 -16.009 4.013 -4.948 1.00 2.09 O ATOM 0 H ASP A 11 -10.571 3.612 -4.402 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.554 5.385 -6.731 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.580 5.893 -4.735 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.575 6.165 -6.466 1.00 0.31 H new ATOM 163 N GLU A 12 -10.226 5.818 -3.476 1.00 0.21 N ATOM 164 CA GLU A 12 -9.653 6.714 -2.468 1.00 0.23 C ATOM 165 C GLU A 12 -9.141 5.965 -1.241 1.00 0.23 C ATOM 166 O GLU A 12 -9.573 4.857 -0.956 1.00 0.29 O ATOM 167 CB GLU A 12 -10.693 7.746 -2.040 1.00 0.26 C ATOM 168 CG GLU A 12 -11.062 8.734 -3.135 1.00 0.31 C ATOM 169 CD GLU A 12 -12.138 9.709 -2.699 1.00 1.19 C ATOM 170 OE1 GLU A 12 -11.787 10.776 -2.155 1.00 1.09 O ATOM 171 OE2 GLU A 12 -13.333 9.407 -2.905 1.00 2.18 O ATOM 0 H GLU A 12 -10.576 4.932 -3.111 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.798 7.209 -2.928 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.594 7.227 -1.713 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.313 8.297 -1.180 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -10.173 9.289 -3.434 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.406 8.187 -4.013 1.00 0.31 H new ATOM 178 N ILE A 13 -8.233 6.603 -0.509 1.00 0.22 N ATOM 179 CA ILE A 13 -7.656 6.017 0.699 1.00 0.22 C ATOM 180 C ILE A 13 -7.801 6.999 1.867 1.00 0.27 C ATOM 181 O ILE A 13 -8.550 7.971 1.779 1.00 0.34 O ATOM 182 CB ILE A 13 -6.156 5.658 0.500 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.295 6.925 0.445 1.00 0.28 C ATOM 184 CG2 ILE A 13 -5.979 4.878 -0.787 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.565 7.766 -0.784 1.00 0.34 C ATOM 0 H ILE A 13 -7.878 7.533 -0.733 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.196 5.096 0.918 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.836 5.051 1.347 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.480 7.524 1.337 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.242 6.644 0.463 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.926 4.630 -0.920 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.565 3.960 -0.740 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.319 5.482 -1.628 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.926 8.649 -0.768 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.353 7.181 -1.679 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.610 8.074 -0.791 1.00 0.34 H new ATOM 197 N VAL A 14 -7.081 6.743 2.950 1.00 0.25 N ATOM 198 CA VAL A 14 -7.120 7.611 4.122 1.00 0.30 C ATOM 199 C VAL A 14 -5.790 7.556 4.852 1.00 0.27 C ATOM 200 O VAL A 14 -5.118 8.573 5.029 1.00 0.30 O ATOM 201 CB VAL A 14 -8.253 7.216 5.089 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.250 8.116 6.316 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.598 7.274 4.383 1.00 0.67 C ATOM 0 H VAL A 14 -6.460 5.939 3.043 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.312 8.626 3.773 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.082 6.191 5.419 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -9.057 7.821 6.986 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.296 8.022 6.834 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.395 9.152 6.008 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.387 6.992 5.080 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.777 8.287 4.023 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.596 6.584 3.539 1.00 0.67 H new ATOM 213 N GLU A 15 -5.420 6.358 5.271 1.00 0.28 N ATOM 214 CA GLU A 15 -4.154 6.145 5.963 1.00 0.27 C ATOM 215 C GLU A 15 -3.113 5.656 4.963 1.00 0.26 C ATOM 216 O GLU A 15 -3.397 4.785 4.156 1.00 0.48 O ATOM 217 CB GLU A 15 -4.325 5.133 7.101 1.00 0.32 C ATOM 218 CG GLU A 15 -5.092 3.882 6.700 1.00 1.30 C ATOM 219 CD GLU A 15 -5.207 2.880 7.832 1.00 1.98 C ATOM 220 OE1 GLU A 15 -6.161 2.989 8.628 1.00 2.07 O ATOM 221 OE2 GLU A 15 -4.339 1.985 7.922 1.00 2.96 O ATOM 0 H GLU A 15 -5.978 5.514 5.145 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.820 7.086 6.400 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -3.340 4.842 7.467 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -4.843 5.616 7.929 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -6.091 4.164 6.367 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -4.594 3.411 5.852 1.00 1.30 H new ATOM 228 N LYS A 16 -1.917 6.228 4.992 1.00 0.20 N ATOM 229 CA LYS A 16 -0.879 5.826 4.043 1.00 0.23 C ATOM 230 C LYS A 16 0.535 6.008 4.610 1.00 0.25 C ATOM 231 O LYS A 16 1.142 7.065 4.439 1.00 0.35 O ATOM 232 CB LYS A 16 -1.027 6.648 2.765 1.00 0.32 C ATOM 233 CG LYS A 16 -1.044 8.148 3.007 1.00 0.41 C ATOM 234 CD LYS A 16 -1.484 8.908 1.767 1.00 0.50 C ATOM 235 CE LYS A 16 -1.435 10.411 1.989 1.00 1.43 C ATOM 236 NZ LYS A 16 -1.966 11.165 0.821 1.00 2.13 N ATOM 0 H LYS A 16 -1.641 6.959 5.648 1.00 0.20 H new ATOM 0 HA LYS A 16 -1.010 4.764 3.836 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -0.206 6.406 2.090 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.949 6.359 2.261 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.718 8.377 3.833 1.00 0.41 H new ATOM 0 HG3 LYS A 16 -0.050 8.481 3.305 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -0.841 8.642 0.928 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -2.498 8.612 1.498 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -2.013 10.665 2.878 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -0.406 10.716 2.180 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -1.914 12.186 1.014 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -1.399 10.943 -0.022 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -2.956 10.894 0.654 1.00 2.13 H new ATOM 250 N ARG A 17 1.061 4.986 5.285 1.00 0.22 N ATOM 251 CA ARG A 17 2.404 5.070 5.859 1.00 0.31 C ATOM 252 C ARG A 17 3.021 3.684 6.004 1.00 0.30 C ATOM 253 O ARG A 17 2.811 3.020 7.019 1.00 0.33 O ATOM 254 CB ARG A 17 2.354 5.760 7.222 1.00 0.41 C ATOM 255 CG ARG A 17 3.713 5.888 7.890 1.00 1.20 C ATOM 256 CD ARG A 17 4.677 6.708 7.047 1.00 1.68 C ATOM 257 NE ARG A 17 4.265 8.106 6.943 1.00 2.30 N ATOM 258 CZ ARG A 17 4.812 8.973 6.095 1.00 3.07 C ATOM 259 NH1 ARG A 17 5.776 8.583 5.274 1.00 3.46 N ATOM 260 NH2 ARG A 17 4.392 10.231 6.067 1.00 3.83 N ATOM 0 H ARG A 17 0.584 4.099 5.447 1.00 0.22 H new ATOM 0 HA ARG A 17 3.025 5.657 5.182 1.00 0.31 H new ATOM 0 HB2 ARG A 17 1.923 6.754 7.101 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.687 5.201 7.878 1.00 0.41 H new ATOM 0 HG2 ARG A 17 3.596 6.355 8.868 1.00 1.20 H new ATOM 0 HG3 ARG A 17 4.131 4.896 8.059 1.00 1.20 H new ATOM 0 HD2 ARG A 17 5.674 6.656 7.484 1.00 1.68 H new ATOM 0 HD3 ARG A 17 4.743 6.275 6.049 1.00 1.68 H new ATOM 0 HE ARG A 17 3.517 8.435 7.554 1.00 2.30 H new ATOM 0 HH11 ARG A 17 6.100 7.616 5.291 1.00 3.46 H new ATOM 0 HH12 ARG A 17 6.194 9.250 4.625 1.00 3.46 H new ATOM 0 HH21 ARG A 17 3.649 10.535 6.696 1.00 3.83 H new ATOM 0 HH22 ARG A 17 4.812 10.895 5.416 1.00 3.83 H new ATOM 274 N GLY A 18 3.781 3.233 5.008 1.00 0.29 N ATOM 275 CA GLY A 18 4.362 1.910 5.118 1.00 0.28 C ATOM 276 C GLY A 18 5.657 1.723 4.363 1.00 0.32 C ATOM 277 O GLY A 18 6.563 2.551 4.428 1.00 0.41 O ATOM 0 H GLY A 18 3.999 3.744 4.152 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.537 1.692 6.171 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.638 1.179 4.757 1.00 0.28 H new ATOM 281 N LYS A 19 5.723 0.602 3.653 1.00 0.30 N ATOM 282 CA LYS A 19 6.881 0.223 2.871 1.00 0.36 C ATOM 283 C LYS A 19 6.518 0.225 1.384 1.00 0.45 C ATOM 284 O LYS A 19 6.162 1.259 0.843 1.00 0.76 O ATOM 285 CB LYS A 19 7.324 -1.147 3.352 1.00 0.29 C ATOM 286 CG LYS A 19 7.913 -1.119 4.746 1.00 0.37 C ATOM 287 CD LYS A 19 8.225 -2.514 5.224 1.00 0.33 C ATOM 288 CE LYS A 19 8.792 -2.508 6.635 1.00 0.51 C ATOM 289 NZ LYS A 19 10.039 -1.699 6.730 1.00 1.13 N ATOM 0 H LYS A 19 4.961 -0.074 3.608 1.00 0.30 H new ATOM 0 HA LYS A 19 7.703 0.928 2.997 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.471 -1.825 3.337 1.00 0.29 H new ATOM 0 HB3 LYS A 19 8.063 -1.549 2.659 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.822 -0.517 4.750 1.00 0.37 H new ATOM 0 HG3 LYS A 19 7.212 -0.643 5.432 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.319 -3.119 5.198 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.940 -2.980 4.546 1.00 0.33 H new ATOM 0 HE2 LYS A 19 8.047 -2.109 7.324 1.00 0.51 H new ATOM 0 HE3 LYS A 19 8.999 -3.532 6.947 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 10.511 -1.894 7.636 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.676 -1.949 5.946 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.802 -0.688 6.674 1.00 1.13 H new ATOM 303 N GLY A 20 6.621 -0.911 0.710 1.00 0.47 N ATOM 304 CA GLY A 20 6.223 -0.969 -0.666 1.00 0.51 C ATOM 305 C GLY A 20 4.827 -1.506 -0.717 1.00 0.42 C ATOM 306 O GLY A 20 3.969 -1.029 -1.458 1.00 0.48 O ATOM 0 H GLY A 20 6.973 -1.787 1.097 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.268 0.022 -1.119 1.00 0.51 H new ATOM 0 HA3 GLY A 20 6.899 -1.609 -1.232 1.00 0.51 H new ATOM 310 N LYS A 21 4.628 -2.516 0.115 1.00 0.33 N ATOM 311 CA LYS A 21 3.341 -3.172 0.267 1.00 0.33 C ATOM 312 C LYS A 21 2.981 -3.348 1.758 1.00 0.27 C ATOM 313 O LYS A 21 1.921 -3.884 2.078 1.00 0.32 O ATOM 314 CB LYS A 21 3.364 -4.533 -0.430 1.00 0.46 C ATOM 315 CG LYS A 21 3.974 -4.493 -1.821 1.00 0.88 C ATOM 316 CD LYS A 21 3.193 -3.579 -2.751 1.00 1.58 C ATOM 317 CE LYS A 21 4.057 -3.101 -3.908 1.00 2.52 C ATOM 318 NZ LYS A 21 3.413 -1.994 -4.666 1.00 3.41 N ATOM 0 H LYS A 21 5.361 -2.906 0.708 1.00 0.33 H new ATOM 0 HA LYS A 21 2.580 -2.543 -0.195 1.00 0.33 H new ATOM 0 HB2 LYS A 21 3.926 -5.237 0.184 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.345 -4.913 -0.500 1.00 0.46 H new ATOM 0 HG2 LYS A 21 5.006 -4.150 -1.756 1.00 0.88 H new ATOM 0 HG3 LYS A 21 3.999 -5.500 -2.237 1.00 0.88 H new ATOM 0 HD2 LYS A 21 2.323 -4.108 -3.139 1.00 1.58 H new ATOM 0 HD3 LYS A 21 2.821 -2.720 -2.193 1.00 1.58 H new ATOM 0 HE2 LYS A 21 5.021 -2.765 -3.526 1.00 2.52 H new ATOM 0 HE3 LYS A 21 4.254 -3.935 -4.582 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 3.887 -1.881 -5.585 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 2.409 -2.217 -4.820 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 3.492 -1.110 -4.124 1.00 3.41 H new ATOM 332 N ASP A 22 3.860 -2.890 2.668 1.00 0.21 N ATOM 333 CA ASP A 22 3.611 -2.995 4.105 1.00 0.23 C ATOM 334 C ASP A 22 2.810 -1.816 4.622 1.00 0.21 C ATOM 335 O ASP A 22 2.624 -1.650 5.825 1.00 0.26 O ATOM 336 CB ASP A 22 4.923 -3.041 4.877 1.00 0.26 C ATOM 337 CG ASP A 22 4.737 -3.467 6.322 1.00 0.34 C ATOM 338 OD1 ASP A 22 4.569 -4.682 6.562 1.00 0.94 O ATOM 339 OD2 ASP A 22 4.757 -2.595 7.212 1.00 1.22 O ATOM 0 H ASP A 22 4.746 -2.445 2.427 1.00 0.21 H new ATOM 0 HA ASP A 22 3.046 -3.915 4.256 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.606 -3.732 4.384 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.391 -2.057 4.850 1.00 0.26 H new ATOM 344 N VAL A 23 2.363 -1.000 3.707 1.00 0.17 N ATOM 345 CA VAL A 23 1.588 0.168 4.020 1.00 0.18 C ATOM 346 C VAL A 23 0.104 -0.144 4.040 1.00 0.16 C ATOM 347 O VAL A 23 -0.387 -0.944 3.242 1.00 0.18 O ATOM 348 CB VAL A 23 1.857 1.221 2.961 1.00 0.20 C ATOM 349 CG1 VAL A 23 1.477 0.653 1.603 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.105 2.501 3.275 1.00 0.23 C ATOM 0 H VAL A 23 2.530 -1.130 2.709 1.00 0.17 H new ATOM 0 HA VAL A 23 1.875 0.524 5.009 1.00 0.18 H new ATOM 0 HB VAL A 23 2.916 1.478 2.948 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.665 1.399 0.831 1.00 0.34 H new ATOM 0 HG12 VAL A 23 2.074 -0.237 1.401 1.00 0.34 H new ATOM 0 HG13 VAL A 23 0.420 0.389 1.602 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.312 3.243 2.504 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.035 2.296 3.304 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.428 2.884 4.243 1.00 0.23 H new ATOM 360 N GLU A 24 -0.610 0.524 4.924 1.00 0.18 N ATOM 361 CA GLU A 24 -2.041 0.314 5.052 1.00 0.22 C ATOM 362 C GLU A 24 -2.808 1.468 4.432 1.00 0.24 C ATOM 363 O GLU A 24 -2.786 2.587 4.940 1.00 0.48 O ATOM 364 CB GLU A 24 -2.446 0.149 6.515 1.00 0.34 C ATOM 365 CG GLU A 24 -1.608 0.971 7.481 1.00 0.45 C ATOM 366 CD GLU A 24 -1.948 0.691 8.933 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.547 -0.378 9.440 1.00 1.26 O ATOM 368 OE2 GLU A 24 -2.615 1.539 9.562 1.00 1.22 O ATOM 0 H GLU A 24 -0.224 1.217 5.565 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.289 -0.604 4.520 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.493 0.431 6.626 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.369 -0.904 6.787 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.552 0.759 7.312 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -1.757 2.031 7.275 1.00 0.45 H new ATOM 375 N TYR A 25 -3.486 1.182 3.333 1.00 0.18 N ATOM 376 CA TYR A 25 -4.264 2.180 2.629 1.00 0.22 C ATOM 377 C TYR A 25 -5.744 1.851 2.696 1.00 0.30 C ATOM 378 O TYR A 25 -6.126 0.689 2.745 1.00 0.65 O ATOM 379 CB TYR A 25 -3.841 2.244 1.168 1.00 0.23 C ATOM 380 CG TYR A 25 -2.663 3.146 0.903 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.369 2.701 1.092 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.849 4.435 0.432 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.290 3.518 0.822 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.778 5.258 0.153 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.500 4.794 0.350 1.00 0.25 C ATOM 386 OH TYR A 25 0.575 5.604 0.074 1.00 0.30 O ATOM 0 H TYR A 25 -3.511 0.255 2.908 1.00 0.18 H new ATOM 0 HA TYR A 25 -4.086 3.143 3.108 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.597 1.238 0.828 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.687 2.586 0.571 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.199 1.699 1.457 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.853 4.803 0.280 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.716 3.158 0.980 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -1.943 6.259 -0.217 1.00 0.25 H new ATOM 0 HH TYR A 25 0.256 6.472 -0.252 1.00 0.30 H new ATOM 396 N LEU A 26 -6.569 2.878 2.692 1.00 0.19 N ATOM 397 CA LEU A 26 -8.003 2.703 2.717 1.00 0.19 C ATOM 398 C LEU A 26 -8.484 2.616 1.293 1.00 0.17 C ATOM 399 O LEU A 26 -7.789 3.052 0.380 1.00 0.17 O ATOM 400 CB LEU A 26 -8.678 3.887 3.416 1.00 0.20 C ATOM 401 CG LEU A 26 -10.183 4.015 3.154 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.886 4.639 4.345 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.460 4.815 1.886 1.00 0.96 C ATOM 0 H LEU A 26 -6.265 3.851 2.671 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.255 1.796 3.267 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.517 3.797 4.490 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.188 4.807 3.096 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.580 3.010 3.008 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.953 4.720 4.136 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.735 4.014 5.225 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.476 5.632 4.530 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.536 4.887 1.729 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.040 5.816 1.988 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.002 4.315 1.033 1.00 0.96 H new ATOM 415 N VAL A 27 -9.652 2.051 1.075 1.00 0.18 N ATOM 416 CA VAL A 27 -10.145 1.980 -0.278 1.00 0.18 C ATOM 417 C VAL A 27 -11.639 2.247 -0.393 1.00 0.18 C ATOM 418 O VAL A 27 -12.471 1.443 0.028 1.00 0.22 O ATOM 419 CB VAL A 27 -9.737 0.662 -0.989 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.640 -0.077 -0.234 1.00 0.40 C ATOM 421 CG2 VAL A 27 -10.913 -0.275 -1.272 1.00 0.36 C ATOM 0 H VAL A 27 -10.257 1.648 1.790 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.653 2.796 -0.807 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.345 0.975 -1.957 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.385 -0.993 -0.767 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.757 0.558 -0.162 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.991 -0.325 0.767 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.550 -1.174 -1.770 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.394 -0.549 -0.333 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.634 0.230 -1.915 1.00 0.36 H new ATOM 431 N ARG A 28 -11.959 3.401 -0.954 1.00 0.16 N ATOM 432 CA ARG A 28 -13.337 3.757 -1.208 1.00 0.18 C ATOM 433 C ARG A 28 -13.714 3.108 -2.506 1.00 0.16 C ATOM 434 O ARG A 28 -13.802 3.770 -3.538 1.00 0.20 O ATOM 435 CB ARG A 28 -13.513 5.264 -1.323 1.00 0.21 C ATOM 436 CG ARG A 28 -14.914 5.752 -0.991 1.00 1.14 C ATOM 437 CD ARG A 28 -15.080 6.017 0.497 1.00 1.22 C ATOM 438 NE ARG A 28 -16.364 6.644 0.800 1.00 1.99 N ATOM 439 CZ ARG A 28 -16.591 7.386 1.881 1.00 2.29 C ATOM 440 NH1 ARG A 28 -15.629 7.580 2.773 1.00 2.04 N ATOM 441 NH2 ARG A 28 -17.784 7.930 2.073 1.00 3.27 N ATOM 0 H ARG A 28 -11.279 4.105 -1.241 1.00 0.16 H new ATOM 0 HA ARG A 28 -13.967 3.422 -0.384 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -12.802 5.754 -0.658 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -13.264 5.572 -2.338 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -15.123 6.665 -1.549 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -15.644 5.009 -1.312 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -14.997 5.078 1.044 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -14.271 6.661 0.843 1.00 1.22 H new ATOM 0 HE ARG A 28 -17.132 6.505 0.144 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -14.710 7.160 2.632 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -15.808 8.150 3.600 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -18.528 7.780 1.392 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -17.958 8.499 2.902 1.00 3.27 H new ATOM 455 N TRP A 29 -13.914 1.797 -2.430 1.00 0.19 N ATOM 456 CA TRP A 29 -14.257 0.965 -3.575 1.00 0.25 C ATOM 457 C TRP A 29 -14.998 1.743 -4.643 1.00 0.25 C ATOM 458 O TRP A 29 -16.217 1.863 -4.603 1.00 0.30 O ATOM 459 CB TRP A 29 -15.109 -0.198 -3.096 1.00 0.34 C ATOM 460 CG TRP A 29 -15.058 -1.394 -3.999 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.220 -1.586 -5.060 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.884 -2.563 -3.923 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.475 -2.801 -5.649 1.00 0.93 N ATOM 464 CE2 TRP A 29 -15.492 -3.419 -4.969 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.917 -2.968 -3.072 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -16.096 -4.655 -5.186 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -17.516 -4.195 -3.288 1.00 1.02 C ATOM 468 CH2 TRP A 29 -17.104 -5.025 -4.338 1.00 1.31 C ATOM 0 H TRP A 29 -13.841 1.275 -1.557 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.333 0.603 -4.025 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -14.780 -0.492 -2.099 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.143 0.134 -3.005 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.467 -0.885 -5.388 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.987 -3.181 -6.460 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -17.241 -2.333 -2.260 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -15.780 -5.298 -5.994 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -18.314 -4.519 -2.637 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -17.592 -5.978 -4.481 1.00 1.31 H new ATOM 479 N LYS A 30 -14.216 2.328 -5.556 1.00 0.25 N ATOM 480 CA LYS A 30 -14.752 3.105 -6.690 1.00 0.30 C ATOM 481 C LYS A 30 -16.138 2.615 -7.123 1.00 0.36 C ATOM 482 O LYS A 30 -16.990 3.407 -7.527 1.00 0.42 O ATOM 483 CB LYS A 30 -13.790 3.031 -7.879 1.00 0.35 C ATOM 484 CG LYS A 30 -14.051 4.091 -8.936 1.00 0.69 C ATOM 485 CD LYS A 30 -12.953 4.113 -9.988 1.00 1.11 C ATOM 486 CE LYS A 30 -12.891 2.804 -10.757 1.00 1.70 C ATOM 487 NZ LYS A 30 -11.766 2.786 -11.732 1.00 2.46 N ATOM 0 H LYS A 30 -13.197 2.280 -5.535 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.853 4.137 -6.355 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.767 3.135 -7.516 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.867 2.045 -8.338 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -15.011 3.900 -9.415 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.121 5.070 -8.461 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -13.129 4.935 -10.681 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -11.992 4.300 -9.509 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -12.778 1.976 -10.057 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -13.832 2.648 -11.285 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -11.758 1.876 -12.236 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -11.887 3.560 -12.416 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -10.866 2.909 -11.226 1.00 2.46 H new ATOM 501 N ASP A 31 -16.348 1.303 -7.042 1.00 0.39 N ATOM 502 CA ASP A 31 -17.631 0.703 -7.388 1.00 0.48 C ATOM 503 C ASP A 31 -18.210 -0.019 -6.172 1.00 0.45 C ATOM 504 O ASP A 31 -18.505 -1.213 -6.225 1.00 0.52 O ATOM 505 CB ASP A 31 -17.467 -0.277 -8.553 1.00 0.59 C ATOM 506 CG ASP A 31 -16.932 0.395 -9.803 1.00 1.31 C ATOM 507 OD1 ASP A 31 -17.739 0.986 -10.550 1.00 2.02 O ATOM 508 OD2 ASP A 31 -15.706 0.327 -10.034 1.00 1.92 O ATOM 0 H ASP A 31 -15.641 0.634 -6.738 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.316 1.493 -7.695 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.791 -1.079 -8.257 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -18.430 -0.738 -8.775 1.00 0.59 H new ATOM 513 N GLY A 32 -18.367 0.722 -5.077 1.00 0.39 N ATOM 514 CA GLY A 32 -18.884 0.148 -3.847 1.00 0.40 C ATOM 515 C GLY A 32 -19.748 1.115 -3.063 1.00 0.42 C ATOM 516 O GLY A 32 -20.202 2.129 -3.595 1.00 0.59 O ATOM 0 H GLY A 32 -18.144 1.716 -5.021 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.467 -0.742 -4.084 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.050 -0.174 -3.223 1.00 0.40 H new ATOM 520 N GLY A 33 -19.973 0.798 -1.792 1.00 0.43 N ATOM 521 CA GLY A 33 -20.782 1.652 -0.942 1.00 0.48 C ATOM 522 C GLY A 33 -20.367 1.575 0.514 1.00 0.46 C ATOM 523 O GLY A 33 -21.183 1.786 1.411 1.00 0.86 O ATOM 0 H GLY A 33 -19.608 -0.038 -1.335 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.702 2.683 -1.286 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.830 1.365 -1.034 1.00 0.48 H new ATOM 527 N ASP A 34 -19.092 1.274 0.751 1.00 0.45 N ATOM 528 CA ASP A 34 -18.575 1.162 2.110 1.00 0.40 C ATOM 529 C ASP A 34 -17.161 1.726 2.211 1.00 0.38 C ATOM 530 O ASP A 34 -16.606 2.222 1.229 1.00 0.62 O ATOM 531 CB ASP A 34 -18.581 -0.300 2.553 1.00 0.55 C ATOM 532 CG ASP A 34 -19.944 -0.943 2.395 1.00 1.31 C ATOM 533 OD1 ASP A 34 -20.776 -0.806 3.317 1.00 1.40 O ATOM 534 OD2 ASP A 34 -20.181 -1.583 1.348 1.00 2.13 O ATOM 0 H ASP A 34 -18.401 1.104 0.021 1.00 0.45 H new ATOM 0 HA ASP A 34 -19.223 1.744 2.766 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -17.849 -0.857 1.969 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.271 -0.363 3.596 1.00 0.55 H new ATOM 539 N CYS A 35 -16.582 1.644 3.406 1.00 0.40 N ATOM 540 CA CYS A 35 -15.231 2.144 3.643 1.00 0.44 C ATOM 541 C CYS A 35 -14.421 1.148 4.467 1.00 0.39 C ATOM 542 O CYS A 35 -14.694 0.939 5.649 1.00 0.61 O ATOM 543 CB CYS A 35 -15.282 3.493 4.361 1.00 0.72 C ATOM 544 SG CYS A 35 -16.217 4.763 3.479 1.00 1.60 S ATOM 0 H CYS A 35 -17.029 1.235 4.227 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.743 2.273 2.677 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -15.724 3.351 5.347 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -14.263 3.849 4.516 1.00 0.72 H new ATOM 0 HG CYS A 35 -16.568 5.699 4.310 1.00 1.60 H new ATOM 550 N GLU A 36 -13.423 0.538 3.836 1.00 0.32 N ATOM 551 CA GLU A 36 -12.576 -0.439 4.512 1.00 0.43 C ATOM 552 C GLU A 36 -11.103 -0.056 4.403 1.00 0.34 C ATOM 553 O GLU A 36 -10.746 0.884 3.692 1.00 0.36 O ATOM 554 CB GLU A 36 -12.795 -1.830 3.917 1.00 0.63 C ATOM 555 CG GLU A 36 -14.229 -2.325 4.023 1.00 1.20 C ATOM 556 CD GLU A 36 -15.195 -1.502 3.195 1.00 1.70 C ATOM 557 OE1 GLU A 36 -15.081 -1.526 1.952 1.00 2.27 O ATOM 558 OE2 GLU A 36 -16.071 -0.838 3.789 1.00 2.22 O ATOM 0 H GLU A 36 -13.181 0.702 2.859 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.852 -0.451 5.566 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -12.502 -1.816 2.867 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -12.138 -2.538 4.422 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.275 -3.365 3.700 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.541 -2.302 5.067 1.00 1.20 H new ATOM 565 N TRP A 37 -10.253 -0.793 5.113 1.00 0.40 N ATOM 566 CA TRP A 37 -8.821 -0.537 5.105 1.00 0.33 C ATOM 567 C TRP A 37 -8.051 -1.694 4.482 1.00 0.35 C ATOM 568 O TRP A 37 -8.476 -2.847 4.555 1.00 0.46 O ATOM 569 CB TRP A 37 -8.327 -0.317 6.531 1.00 0.38 C ATOM 570 CG TRP A 37 -8.958 0.860 7.203 1.00 0.39 C ATOM 571 CD1 TRP A 37 -9.264 2.061 6.632 1.00 0.45 C ATOM 572 CD2 TRP A 37 -9.359 0.953 8.575 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.833 2.895 7.563 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.902 2.237 8.764 1.00 0.50 C ATOM 575 CE3 TRP A 37 -9.314 0.074 9.661 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -10.395 2.664 9.995 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -9.803 0.497 10.882 1.00 0.71 C ATOM 578 CH2 TRP A 37 -10.338 1.782 11.040 1.00 0.70 C ATOM 0 H TRP A 37 -10.536 -1.575 5.703 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.646 0.356 4.505 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.527 -1.212 7.119 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -7.246 -0.181 6.516 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -9.085 2.318 5.598 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -10.152 3.848 7.389 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.904 -0.919 9.548 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -10.807 3.654 10.120 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -9.772 -0.174 11.728 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -10.713 2.083 12.007 1.00 0.70 H new ATOM 589 N VAL A 38 -6.914 -1.376 3.874 1.00 0.28 N ATOM 590 CA VAL A 38 -6.070 -2.391 3.256 1.00 0.37 C ATOM 591 C VAL A 38 -5.065 -2.928 4.267 1.00 0.36 C ATOM 592 O VAL A 38 -4.789 -2.288 5.281 1.00 0.31 O ATOM 593 CB VAL A 38 -5.317 -1.829 2.037 1.00 0.41 C ATOM 594 CG1 VAL A 38 -4.400 -2.884 1.435 1.00 0.65 C ATOM 595 CG2 VAL A 38 -6.300 -1.314 1.005 1.00 0.46 C ATOM 0 H VAL A 38 -6.556 -0.424 3.796 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.719 -3.199 2.919 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.696 -0.996 2.367 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -3.878 -2.464 0.575 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.672 -3.202 2.181 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -4.992 -3.742 1.117 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.754 -0.919 0.148 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -6.946 -2.129 0.680 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.907 -0.523 1.444 1.00 0.46 H new ATOM 605 N LYS A 39 -4.516 -4.105 3.985 1.00 0.46 N ATOM 606 CA LYS A 39 -3.558 -4.727 4.887 1.00 0.48 C ATOM 607 C LYS A 39 -2.172 -4.112 4.769 1.00 0.38 C ATOM 608 O LYS A 39 -1.387 -4.472 3.892 1.00 0.45 O ATOM 609 CB LYS A 39 -3.488 -6.235 4.637 1.00 0.63 C ATOM 610 CG LYS A 39 -2.561 -6.969 5.594 1.00 0.67 C ATOM 611 CD LYS A 39 -2.496 -8.455 5.281 1.00 1.09 C ATOM 612 CE LYS A 39 -3.870 -9.103 5.350 1.00 1.61 C ATOM 613 NZ LYS A 39 -4.477 -8.982 6.705 1.00 2.32 N ATOM 0 H LYS A 39 -4.718 -4.644 3.143 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.911 -4.546 5.902 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.490 -6.656 4.721 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.153 -6.410 3.614 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.561 -6.540 5.534 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.907 -6.827 6.618 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -2.075 -8.600 4.286 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -1.826 -8.947 5.986 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -4.527 -8.638 4.615 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -3.788 -10.156 5.082 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -5.338 -9.564 6.753 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -3.797 -9.310 7.420 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -4.720 -7.988 6.889 1.00 2.32 H new ATOM 627 N GLY A 40 -1.883 -3.177 5.669 1.00 0.32 N ATOM 628 CA GLY A 40 -0.588 -2.530 5.683 1.00 0.27 C ATOM 629 C GLY A 40 0.408 -3.245 6.573 1.00 0.28 C ATOM 630 O GLY A 40 1.085 -2.622 7.390 1.00 0.35 O ATOM 0 H GLY A 40 -2.528 -2.856 6.391 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.196 -2.486 4.667 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.703 -1.501 6.025 1.00 0.27 H new ATOM 634 N VAL A 41 0.474 -4.562 6.431 1.00 0.29 N ATOM 635 CA VAL A 41 1.414 -5.374 7.194 1.00 0.39 C ATOM 636 C VAL A 41 2.348 -6.129 6.254 1.00 0.38 C ATOM 637 O VAL A 41 3.182 -6.919 6.696 1.00 0.45 O ATOM 638 CB VAL A 41 0.709 -6.410 8.090 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.574 -6.749 9.294 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.664 -5.919 8.530 1.00 0.51 C ATOM 0 H VAL A 41 -0.116 -5.094 5.791 1.00 0.29 H new ATOM 0 HA VAL A 41 1.970 -4.682 7.827 1.00 0.39 H new ATOM 0 HB VAL A 41 0.562 -7.317 7.504 1.00 0.50 H new ATOM 0 HG11 VAL A 41 1.061 -7.482 9.916 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.524 -7.162 8.955 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.759 -5.846 9.875 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.135 -6.673 9.161 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.556 -4.992 9.092 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.285 -5.741 7.652 1.00 0.51 H new ATOM 650 N HIS A 42 2.206 -5.882 4.951 1.00 0.35 N ATOM 651 CA HIS A 42 3.021 -6.549 3.959 1.00 0.40 C ATOM 652 C HIS A 42 4.414 -5.981 3.946 1.00 0.36 C ATOM 653 O HIS A 42 4.776 -5.184 3.089 1.00 0.31 O ATOM 654 CB HIS A 42 2.349 -6.488 2.587 1.00 0.43 C ATOM 655 CG HIS A 42 1.999 -7.844 2.057 1.00 0.64 C ATOM 656 ND1 HIS A 42 0.726 -8.368 2.122 1.00 1.35 N ATOM 657 CD2 HIS A 42 2.766 -8.795 1.475 1.00 1.27 C ATOM 658 CE1 HIS A 42 0.724 -9.583 1.604 1.00 1.32 C ATOM 659 NE2 HIS A 42 1.949 -9.867 1.204 1.00 1.17 N ATOM 0 H HIS A 42 1.530 -5.222 4.567 1.00 0.35 H new ATOM 0 HA HIS A 42 3.113 -7.602 4.223 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.444 -5.884 2.656 1.00 0.43 H new ATOM 0 HB3 HIS A 42 3.013 -5.987 1.883 1.00 0.43 H new ATOM 0 HD1 HIS A 42 -0.088 -7.892 2.510 1.00 1.35 H new ATOM 0 HD2 HIS A 42 3.823 -8.725 1.263 1.00 1.27 H new ATOM 0 HE1 HIS A 42 -0.134 -10.233 1.522 1.00 1.32 H new ATOM 668 N VAL A 43 5.178 -6.454 4.926 1.00 0.43 N ATOM 669 CA VAL A 43 6.562 -6.045 5.146 1.00 0.44 C ATOM 670 C VAL A 43 7.460 -6.293 3.949 1.00 0.44 C ATOM 671 O VAL A 43 8.383 -7.102 4.007 1.00 0.54 O ATOM 672 CB VAL A 43 7.149 -6.757 6.384 1.00 0.55 C ATOM 673 CG1 VAL A 43 8.602 -6.361 6.611 1.00 1.49 C ATOM 674 CG2 VAL A 43 6.310 -6.450 7.615 1.00 1.34 C ATOM 0 H VAL A 43 4.848 -7.144 5.601 1.00 0.43 H new ATOM 0 HA VAL A 43 6.533 -4.968 5.310 1.00 0.44 H new ATOM 0 HB VAL A 43 7.123 -7.831 6.202 1.00 0.55 H new ATOM 0 HG11 VAL A 43 8.987 -6.879 7.490 1.00 1.49 H new ATOM 0 HG12 VAL A 43 9.195 -6.636 5.739 1.00 1.49 H new ATOM 0 HG13 VAL A 43 8.665 -5.284 6.767 1.00 1.49 H new ATOM 0 HG21 VAL A 43 6.735 -6.958 8.481 1.00 1.34 H new ATOM 0 HG22 VAL A 43 6.304 -5.375 7.792 1.00 1.34 H new ATOM 0 HG23 VAL A 43 5.289 -6.797 7.455 1.00 1.34 H new ATOM 684 N ALA A 44 7.196 -5.568 2.877 1.00 0.36 N ATOM 685 CA ALA A 44 8.003 -5.657 1.680 1.00 0.42 C ATOM 686 C ALA A 44 9.123 -4.635 1.766 1.00 0.41 C ATOM 687 O ALA A 44 9.310 -3.811 0.871 1.00 0.45 O ATOM 688 CB ALA A 44 7.156 -5.442 0.434 1.00 0.48 C ATOM 0 H ALA A 44 6.422 -4.907 2.814 1.00 0.36 H new ATOM 0 HA ALA A 44 8.433 -6.656 1.605 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.787 -5.514 -0.452 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.377 -6.203 0.388 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.696 -4.454 0.473 1.00 0.48 H new ATOM 694 N GLU A 45 9.867 -4.703 2.869 1.00 0.43 N ATOM 695 CA GLU A 45 10.978 -3.793 3.115 1.00 0.49 C ATOM 696 C GLU A 45 11.885 -3.715 1.900 1.00 0.53 C ATOM 697 O GLU A 45 12.599 -2.736 1.706 1.00 0.62 O ATOM 698 CB GLU A 45 11.781 -4.247 4.336 1.00 0.58 C ATOM 699 CG GLU A 45 13.021 -3.407 4.592 1.00 1.27 C ATOM 700 CD GLU A 45 13.803 -3.878 5.803 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.598 -4.831 5.662 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.620 -3.295 6.892 1.00 2.42 O ATOM 0 H GLU A 45 9.716 -5.386 3.611 1.00 0.43 H new ATOM 0 HA GLU A 45 10.568 -2.802 3.310 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.140 -4.212 5.217 1.00 0.58 H new ATOM 0 HB3 GLU A 45 12.078 -5.287 4.200 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.665 -3.439 3.713 1.00 1.27 H new ATOM 0 HG3 GLU A 45 12.728 -2.367 4.735 1.00 1.27 H new ATOM 709 N ASP A 46 11.860 -4.764 1.092 1.00 0.54 N ATOM 710 CA ASP A 46 12.664 -4.802 -0.121 1.00 0.62 C ATOM 711 C ASP A 46 12.145 -3.783 -1.123 1.00 0.65 C ATOM 712 O ASP A 46 12.904 -2.979 -1.648 1.00 0.75 O ATOM 713 CB ASP A 46 12.635 -6.200 -0.736 1.00 0.68 C ATOM 714 CG ASP A 46 13.577 -6.333 -1.916 1.00 1.64 C ATOM 715 OD1 ASP A 46 13.149 -6.043 -3.053 1.00 2.48 O ATOM 716 OD2 ASP A 46 14.744 -6.725 -1.704 1.00 1.96 O ATOM 0 H ASP A 46 11.294 -5.597 1.253 1.00 0.54 H new ATOM 0 HA ASP A 46 13.694 -4.555 0.137 1.00 0.62 H new ATOM 0 HB2 ASP A 46 12.904 -6.934 0.024 1.00 0.68 H new ATOM 0 HB3 ASP A 46 11.620 -6.431 -1.058 1.00 0.68 H new ATOM 721 N VAL A 47 10.842 -3.807 -1.363 1.00 0.62 N ATOM 722 CA VAL A 47 10.227 -2.883 -2.308 1.00 0.72 C ATOM 723 C VAL A 47 10.467 -1.437 -1.879 1.00 0.75 C ATOM 724 O VAL A 47 10.592 -0.554 -2.710 1.00 0.88 O ATOM 725 CB VAL A 47 8.715 -3.135 -2.426 1.00 0.73 C ATOM 726 CG1 VAL A 47 8.104 -2.230 -3.481 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.442 -4.593 -2.755 1.00 0.76 C ATOM 0 H VAL A 47 10.191 -4.454 -0.918 1.00 0.62 H new ATOM 0 HA VAL A 47 10.689 -3.053 -3.281 1.00 0.72 H new ATOM 0 HB VAL A 47 8.253 -2.905 -1.466 1.00 0.73 H new ATOM 0 HG11 VAL A 47 7.033 -2.423 -3.550 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.268 -1.188 -3.206 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.571 -2.428 -4.446 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.367 -4.753 -2.835 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.918 -4.848 -3.702 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.845 -5.226 -1.965 1.00 0.76 H new ATOM 737 N ALA A 48 10.536 -1.244 -0.565 1.00 0.68 N ATOM 738 CA ALA A 48 10.768 0.051 0.080 1.00 0.77 C ATOM 739 C ALA A 48 12.246 0.386 0.046 1.00 0.86 C ATOM 740 O ALA A 48 12.651 1.422 -0.480 1.00 0.99 O ATOM 741 CB ALA A 48 10.279 0.005 1.520 1.00 0.70 C ATOM 0 H ALA A 48 10.429 -2.007 0.104 1.00 0.68 H new ATOM 0 HA ALA A 48 10.217 0.822 -0.458 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.454 0.970 1.995 1.00 0.70 H new ATOM 0 HB2 ALA A 48 9.212 -0.219 1.535 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.820 -0.770 2.063 1.00 0.70 H new ATOM 747 N LYS A 49 13.048 -0.506 0.614 1.00 0.81 N ATOM 748 CA LYS A 49 14.488 -0.329 0.620 1.00 0.92 C ATOM 749 C LYS A 49 14.969 -0.198 -0.818 1.00 0.98 C ATOM 750 O LYS A 49 15.977 0.448 -1.102 1.00 1.11 O ATOM 751 CB LYS A 49 15.173 -1.518 1.298 1.00 0.90 C ATOM 752 CG LYS A 49 16.668 -1.327 1.495 1.00 1.34 C ATOM 753 CD LYS A 49 16.961 -0.197 2.470 1.00 2.07 C ATOM 754 CE LYS A 49 16.362 -0.475 3.838 1.00 2.67 C ATOM 755 NZ LYS A 49 16.691 0.596 4.818 1.00 3.35 N ATOM 0 H LYS A 49 12.723 -1.356 1.075 1.00 0.81 H new ATOM 0 HA LYS A 49 14.741 0.571 1.180 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.706 -1.691 2.268 1.00 0.90 H new ATOM 0 HB3 LYS A 49 15.005 -2.413 0.699 1.00 0.90 H new ATOM 0 HG2 LYS A 49 17.109 -2.253 1.866 1.00 1.34 H new ATOM 0 HG3 LYS A 49 17.138 -1.112 0.535 1.00 1.34 H new ATOM 0 HD2 LYS A 49 18.039 -0.065 2.563 1.00 2.07 H new ATOM 0 HD3 LYS A 49 16.559 0.737 2.078 1.00 2.07 H new ATOM 0 HE2 LYS A 49 15.279 -0.565 3.748 1.00 2.67 H new ATOM 0 HE3 LYS A 49 16.731 -1.431 4.208 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 16.263 0.368 5.738 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.723 0.665 4.923 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 16.316 1.505 4.478 1.00 3.35 H new ATOM 769 N ASP A 50 14.236 -0.842 -1.721 1.00 0.91 N ATOM 770 CA ASP A 50 14.546 -0.800 -3.135 1.00 1.00 C ATOM 771 C ASP A 50 13.786 0.338 -3.808 1.00 1.12 C ATOM 772 O ASP A 50 14.183 0.815 -4.870 1.00 1.28 O ATOM 773 CB ASP A 50 14.200 -2.134 -3.796 1.00 0.94 C ATOM 774 CG ASP A 50 14.916 -2.327 -5.117 1.00 1.38 C ATOM 775 OD1 ASP A 50 14.448 -1.775 -6.135 1.00 1.45 O ATOM 776 OD2 ASP A 50 15.948 -3.032 -5.135 1.00 2.00 O ATOM 0 H ASP A 50 13.416 -1.403 -1.489 1.00 0.91 H new ATOM 0 HA ASP A 50 15.615 -0.623 -3.252 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.462 -2.949 -3.122 1.00 0.94 H new ATOM 0 HB3 ASP A 50 13.123 -2.188 -3.958 1.00 0.94 H new ATOM 781 N TYR A 51 12.680 0.770 -3.196 1.00 1.07 N ATOM 782 CA TYR A 51 11.900 1.857 -3.763 1.00 1.22 C ATOM 783 C TYR A 51 12.641 3.166 -3.606 1.00 1.37 C ATOM 784 O TYR A 51 13.098 3.773 -4.575 1.00 1.51 O ATOM 785 CB TYR A 51 10.533 2.024 -3.101 1.00 1.20 C ATOM 786 CG TYR A 51 9.364 1.508 -3.917 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.362 1.606 -5.304 1.00 1.68 C ATOM 788 CD2 TYR A 51 8.270 0.909 -3.302 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.305 1.124 -6.052 1.00 1.87 C ATOM 790 CE2 TYR A 51 7.209 0.427 -4.046 1.00 1.18 C ATOM 791 CZ TYR A 51 7.206 0.584 -5.412 1.00 1.57 C ATOM 792 OH TYR A 51 6.177 0.056 -6.162 1.00 1.77 O ATOM 0 H TYR A 51 12.315 0.388 -2.324 1.00 1.07 H new ATOM 0 HA TYR A 51 11.751 1.601 -4.812 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.544 1.507 -2.141 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.373 3.082 -2.892 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.201 2.067 -5.805 1.00 1.68 H new ATOM 0 HD2 TYR A 51 8.249 0.819 -2.226 1.00 1.11 H new ATOM 0 HE1 TYR A 51 8.338 1.169 -7.131 1.00 1.87 H new ATOM 0 HE2 TYR A 51 6.385 -0.071 -3.556 1.00 1.18 H new ATOM 0 HH TYR A 51 5.479 -0.285 -5.565 1.00 1.77 H new ATOM 802 N GLU A 52 12.748 3.586 -2.349 1.00 1.35 N ATOM 803 CA GLU A 52 13.392 4.836 -2.010 1.00 1.51 C ATOM 804 C GLU A 52 14.902 4.674 -1.868 1.00 1.55 C ATOM 805 O GLU A 52 15.677 5.427 -2.458 1.00 1.70 O ATOM 806 CB GLU A 52 12.802 5.409 -0.718 1.00 1.52 C ATOM 807 CG GLU A 52 13.094 4.570 0.517 1.00 1.43 C ATOM 808 CD GLU A 52 12.417 5.110 1.761 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.872 6.150 2.280 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.433 4.491 2.217 1.00 1.20 O ATOM 0 H GLU A 52 12.391 3.068 -1.546 1.00 1.35 H new ATOM 0 HA GLU A 52 13.206 5.531 -2.829 1.00 1.51 H new ATOM 0 HB2 GLU A 52 13.196 6.414 -0.564 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.722 5.504 -0.834 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.763 3.546 0.343 1.00 1.43 H new ATOM 0 HG3 GLU A 52 14.171 4.533 0.681 1.00 1.43 H new ATOM 817 N ASP A 53 15.309 3.685 -1.085 1.00 1.43 N ATOM 818 CA ASP A 53 16.723 3.427 -0.850 1.00 1.48 C ATOM 819 C ASP A 53 17.382 2.777 -2.064 1.00 1.47 C ATOM 820 O ASP A 53 18.596 2.869 -2.242 1.00 1.59 O ATOM 821 CB ASP A 53 16.886 2.537 0.381 1.00 1.40 C ATOM 822 CG ASP A 53 17.034 3.341 1.659 1.00 1.76 C ATOM 823 OD1 ASP A 53 15.999 3.682 2.268 1.00 2.30 O ATOM 824 OD2 ASP A 53 18.185 3.628 2.049 1.00 1.84 O ATOM 0 H ASP A 53 14.678 3.046 -0.600 1.00 1.43 H new ATOM 0 HA ASP A 53 17.220 4.382 -0.677 1.00 1.48 H new ATOM 0 HB2 ASP A 53 16.022 1.878 0.467 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.761 1.900 0.252 1.00 1.40 H new ATOM 829 N GLY A 54 16.578 2.124 -2.898 1.00 1.36 N ATOM 830 CA GLY A 54 17.114 1.479 -4.083 1.00 1.37 C ATOM 831 C GLY A 54 17.684 2.479 -5.068 1.00 1.49 C ATOM 832 O GLY A 54 18.792 2.300 -5.575 1.00 1.61 O ATOM 0 H GLY A 54 15.570 2.030 -2.775 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.893 0.774 -3.791 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.327 0.901 -4.568 1.00 1.37 H new ATOM 836 N LEU A 55 16.925 3.535 -5.341 1.00 1.49 N ATOM 837 CA LEU A 55 17.362 4.574 -6.267 1.00 1.63 C ATOM 838 C LEU A 55 18.369 5.499 -5.595 1.00 1.70 C ATOM 839 O LEU A 55 19.528 5.576 -6.003 1.00 1.78 O ATOM 840 CB LEU A 55 16.165 5.384 -6.767 1.00 1.67 C ATOM 841 CG LEU A 55 15.194 4.624 -7.671 1.00 1.85 C ATOM 842 CD1 LEU A 55 14.203 5.582 -8.313 1.00 2.26 C ATOM 843 CD2 LEU A 55 15.955 3.847 -8.735 1.00 2.34 C ATOM 0 H LEU A 55 16.003 3.694 -4.934 1.00 1.49 H new ATOM 0 HA LEU A 55 17.841 4.091 -7.119 1.00 1.63 H new ATOM 0 HB2 LEU A 55 15.615 5.759 -5.904 1.00 1.67 H new ATOM 0 HB3 LEU A 55 16.537 6.253 -7.310 1.00 1.67 H new ATOM 0 HG LEU A 55 14.637 3.914 -7.060 1.00 1.85 H new ATOM 0 HD11 LEU A 55 13.520 5.024 -8.953 1.00 2.26 H new ATOM 0 HD12 LEU A 55 13.636 6.094 -7.536 1.00 2.26 H new ATOM 0 HD13 LEU A 55 14.742 6.316 -8.911 1.00 2.26 H new ATOM 0 HD21 LEU A 55 15.249 3.312 -9.370 1.00 2.34 H new ATOM 0 HD22 LEU A 55 16.538 4.539 -9.343 1.00 2.34 H new ATOM 0 HD23 LEU A 55 16.625 3.133 -8.255 1.00 2.34 H new ATOM 855 N GLU A 56 17.915 6.202 -4.563 1.00 1.70 N ATOM 856 CA GLU A 56 18.775 7.118 -3.826 1.00 1.80 C ATOM 857 C GLU A 56 19.597 6.361 -2.792 1.00 1.75 C ATOM 858 O GLU A 56 19.496 6.615 -1.591 1.00 1.78 O ATOM 859 CB GLU A 56 17.940 8.201 -3.146 1.00 1.87 C ATOM 860 CG GLU A 56 17.209 9.109 -4.122 1.00 1.94 C ATOM 861 CD GLU A 56 16.402 10.185 -3.423 1.00 2.37 C ATOM 862 OE1 GLU A 56 15.258 9.896 -3.012 1.00 2.95 O ATOM 863 OE2 GLU A 56 16.913 11.316 -3.287 1.00 2.57 O ATOM 0 H GLU A 56 16.956 6.154 -4.219 1.00 1.70 H new ATOM 0 HA GLU A 56 19.456 7.594 -4.532 1.00 1.80 H new ATOM 0 HB2 GLU A 56 17.211 7.727 -2.488 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.591 8.808 -2.516 1.00 1.87 H new ATOM 0 HG2 GLU A 56 17.933 9.578 -4.788 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.545 8.508 -4.744 1.00 1.94 H new ATOM 870 N TYR A 57 20.412 5.429 -3.271 1.00 1.71 N ATOM 871 CA TYR A 57 21.253 4.618 -2.399 1.00 1.68 C ATOM 872 C TYR A 57 22.592 5.303 -2.142 1.00 1.81 C ATOM 873 O TYR A 57 23.525 5.097 -2.945 1.00 2.23 O ATOM 874 CB TYR A 57 21.482 3.242 -3.025 1.00 1.60 C ATOM 875 CG TYR A 57 22.215 2.276 -2.124 1.00 1.59 C ATOM 876 CD1 TYR A 57 23.604 2.226 -2.112 1.00 1.67 C ATOM 877 CD2 TYR A 57 21.520 1.417 -1.282 1.00 1.54 C ATOM 878 CE1 TYR A 57 24.279 1.346 -1.286 1.00 1.68 C ATOM 879 CE2 TYR A 57 22.188 0.534 -0.454 1.00 1.58 C ATOM 880 CZ TYR A 57 23.565 0.493 -0.470 1.00 1.64 C ATOM 881 OH TYR A 57 24.235 -0.373 0.364 1.00 1.69 O ATOM 882 OXT TYR A 57 22.695 6.041 -1.139 1.00 2.06 O ATOM 0 H TYR A 57 20.508 5.215 -4.264 1.00 1.71 H new ATOM 0 HA TYR A 57 20.741 4.498 -1.444 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.518 2.811 -3.296 1.00 1.60 H new ATOM 0 HB3 TYR A 57 22.048 3.363 -3.949 1.00 1.60 H new ATOM 0 HD1 TYR A 57 24.165 2.885 -2.758 1.00 1.67 H new ATOM 0 HD2 TYR A 57 20.440 1.439 -1.274 1.00 1.54 H new ATOM 0 HE1 TYR A 57 25.359 1.327 -1.280 1.00 1.68 H new ATOM 0 HE2 TYR A 57 21.633 -0.120 0.202 1.00 1.58 H new ATOM 0 HH TYR A 57 23.587 -0.904 0.873 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -17.957 -9.737 3.369 1.00 5.20 N ATOM 894 CA ALA B 1 -17.475 -8.379 3.733 1.00 4.69 C ATOM 895 C ALA B 1 -16.408 -7.896 2.754 1.00 3.91 C ATOM 896 O ALA B 1 -15.219 -8.152 2.944 1.00 3.61 O ATOM 897 CB ALA B 1 -16.928 -8.376 5.152 1.00 4.99 C ATOM 0 H1 ALA B 1 -18.682 -10.042 4.050 1.00 5.20 H new ATOM 0 H2 ALA B 1 -18.367 -9.715 2.413 1.00 5.20 H new ATOM 0 H3 ALA B 1 -17.160 -10.405 3.389 1.00 5.20 H new ATOM 0 HA ALA B 1 -18.321 -7.693 3.679 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -16.579 -7.375 5.405 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -17.715 -8.672 5.846 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -16.098 -9.079 5.223 1.00 4.99 H new ATOM 905 N PRO B 2 -16.823 -7.186 1.690 1.00 3.99 N ATOM 906 CA PRO B 2 -15.901 -6.667 0.675 1.00 3.65 C ATOM 907 C PRO B 2 -14.715 -5.924 1.291 1.00 2.77 C ATOM 908 O PRO B 2 -14.855 -4.789 1.746 1.00 2.79 O ATOM 909 CB PRO B 2 -16.772 -5.704 -0.131 1.00 4.44 C ATOM 910 CG PRO B 2 -18.155 -6.237 0.014 1.00 5.12 C ATOM 911 CD PRO B 2 -18.226 -6.831 1.395 1.00 4.90 C ATOM 0 HA PRO B 2 -15.458 -7.466 0.080 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -16.697 -4.686 0.252 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -16.466 -5.674 -1.177 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -18.894 -5.445 -0.109 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -18.365 -6.989 -0.746 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -18.620 -6.118 2.119 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -18.876 -7.706 1.423 1.00 4.90 H new ATOM 919 N PRO B 3 -13.531 -6.559 1.311 1.00 2.55 N ATOM 920 CA PRO B 3 -12.320 -5.951 1.872 1.00 2.38 C ATOM 921 C PRO B 3 -11.791 -4.811 1.008 1.00 2.11 C ATOM 922 O PRO B 3 -11.578 -4.977 -0.193 1.00 2.74 O ATOM 923 CB PRO B 3 -11.320 -7.109 1.898 1.00 3.12 C ATOM 924 CG PRO B 3 -11.778 -8.026 0.818 1.00 3.56 C ATOM 925 CD PRO B 3 -13.277 -7.916 0.791 1.00 3.22 C ATOM 0 HA PRO B 3 -12.503 -5.506 2.850 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -10.304 -6.759 1.716 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -11.317 -7.608 2.867 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -11.348 -7.743 -0.143 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -11.465 -9.051 1.017 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -13.671 -8.040 -0.218 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -13.747 -8.679 1.412 1.00 3.22 H new ATOM 933 N GLY B 4 -11.584 -3.652 1.626 1.00 1.73 N ATOM 934 CA GLY B 4 -11.082 -2.502 0.896 1.00 1.69 C ATOM 935 C GLY B 4 -9.686 -2.736 0.358 1.00 1.53 C ATOM 936 O GLY B 4 -8.700 -2.564 1.075 1.00 2.11 O ATOM 0 H GLY B 4 -11.755 -3.489 2.618 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -11.756 -2.275 0.070 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -11.077 -1.631 1.551 1.00 1.69 H new ATOM 940 N THR B 5 -9.602 -3.131 -0.906 1.00 1.20 N ATOM 941 CA THR B 5 -8.314 -3.413 -1.534 1.00 1.17 C ATOM 942 C THR B 5 -8.343 -3.207 -3.045 1.00 1.11 C ATOM 943 O THR B 5 -9.362 -3.432 -3.698 1.00 1.30 O ATOM 944 CB THR B 5 -7.857 -4.853 -1.240 1.00 1.49 C ATOM 945 OG1 THR B 5 -7.145 -4.798 0.474 1.00 1.85 O ATOM 946 CG2 THR B 5 -7.905 -7.053 0.063 1.00 1.82 C ATOM 0 H THR B 5 -10.408 -3.264 -1.517 1.00 1.20 H new ATOM 0 HA THR B 5 -7.608 -2.703 -1.102 1.00 1.17 H new ATOM 0 HB THR B 5 -7.916 -4.945 -2.325 1.00 1.49 H new ATOM 0 HG1 THR B 5 -7.616 -4.120 1.002 1.00 1.85 H new ATOM 0 HG21 THR B 5 -7.184 -7.747 -0.368 1.00 1.82 H new ATOM 0 HG22 THR B 5 -7.648 -6.864 1.105 1.00 1.82 H new ATOM 0 HG23 THR B 5 -8.904 -7.487 0.008 1.00 1.82 H new ATOM 954 N ALA B 6 -7.207 -2.779 -3.589 1.00 1.15 N ATOM 955 CA ALA B 6 -7.069 -2.565 -5.027 1.00 1.27 C ATOM 956 C ALA B 6 -5.637 -2.849 -5.484 1.00 1.57 C ATOM 957 O ALA B 6 -5.321 -3.964 -5.900 1.00 1.86 O ATOM 958 CB ALA B 6 -7.471 -1.149 -5.389 1.00 1.16 C ATOM 0 H ALA B 6 -6.364 -2.573 -3.052 1.00 1.15 H new ATOM 0 HA ALA B 6 -7.733 -3.259 -5.542 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.363 -1.004 -6.464 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.509 -0.981 -5.102 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -6.830 -0.443 -4.861 1.00 1.16 H new ATOM 964 N ARG B 7 -4.774 -1.837 -5.404 1.00 2.16 N ATOM 965 CA ARG B 7 -3.377 -1.987 -5.799 1.00 2.49 C ATOM 966 C ARG B 7 -2.602 -2.723 -4.709 1.00 1.97 C ATOM 967 O ARG B 7 -3.184 -3.497 -3.952 1.00 2.16 O ATOM 968 CB ARG B 7 -2.757 -0.612 -6.064 1.00 3.50 C ATOM 969 CG ARG B 7 -1.860 -0.578 -7.290 1.00 4.23 C ATOM 970 CD ARG B 7 -2.647 -0.857 -8.560 1.00 5.24 C ATOM 971 NE ARG B 7 -3.715 0.120 -8.765 1.00 5.78 N ATOM 972 CZ ARG B 7 -4.707 -0.042 -9.634 1.00 6.67 C ATOM 973 NH1 ARG B 7 -4.769 -1.140 -10.374 1.00 7.13 N ATOM 974 NH2 ARG B 7 -5.639 0.893 -9.765 1.00 7.29 N ATOM 0 H ARG B 7 -5.019 -0.905 -5.069 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.327 -2.573 -6.717 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -3.555 0.120 -6.187 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -2.178 -0.309 -5.192 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -1.380 0.398 -7.365 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -1.066 -1.317 -7.182 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -1.972 -0.842 -9.416 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -3.075 -1.858 -8.509 1.00 5.24 H new ATOM 0 HE ARG B 7 -3.698 0.975 -8.209 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -4.055 -1.862 -10.277 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -5.531 -1.263 -11.041 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -5.595 1.740 -9.198 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -6.399 0.765 -10.433 1.00 7.29 H new ATOM 988 N ARG B 8 -1.287 -2.490 -4.627 1.00 1.65 N ATOM 989 CA ARG B 8 -0.453 -3.142 -3.617 1.00 1.81 C ATOM 990 C ARG B 8 -0.823 -4.617 -3.450 1.00 2.34 C ATOM 991 O ARG B 8 -1.419 -5.003 -2.446 1.00 3.35 O ATOM 992 CB ARG B 8 -0.598 -2.411 -2.280 1.00 2.17 C ATOM 993 CG ARG B 8 0.131 -3.077 -1.126 1.00 2.70 C ATOM 994 CD ARG B 8 -0.843 -3.745 -0.170 1.00 3.52 C ATOM 995 NE ARG B 8 -0.606 -5.184 -0.069 1.00 4.36 N ATOM 996 CZ ARG B 8 -1.414 -6.022 0.571 1.00 5.31 C ATOM 997 NH1 ARG B 8 -2.490 -5.564 1.195 1.00 5.56 N ATOM 998 NH2 ARG B 8 -1.144 -7.320 0.590 1.00 6.23 N ATOM 0 H ARG B 8 -0.781 -1.857 -5.246 1.00 1.65 H new ATOM 0 HA ARG B 8 0.583 -3.095 -3.951 1.00 1.81 H new ATOM 0 HB2 ARG B 8 -0.224 -1.393 -2.392 1.00 2.17 H new ATOM 0 HB3 ARG B 8 -1.657 -2.336 -2.032 1.00 2.17 H new ATOM 0 HG2 ARG B 8 0.830 -3.818 -1.514 1.00 2.70 H new ATOM 0 HG3 ARG B 8 0.720 -2.334 -0.588 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -0.752 -3.292 0.817 1.00 3.52 H new ATOM 0 HD3 ARG B 8 -1.864 -3.568 -0.509 1.00 3.52 H new ATOM 0 HE ARG B 8 0.227 -5.567 -0.516 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -2.699 -4.566 1.185 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -3.109 -6.210 1.686 1.00 5.56 H new ATOM 0 HH21 ARG B 8 -0.315 -7.676 0.113 1.00 6.23 H new ATOM 0 HH22 ARG B 8 -1.765 -7.963 1.082 1.00 6.23 H new ATOM 1012 N LYS B 9 -0.484 -5.434 -4.440 1.00 1.97 N ATOM 1013 CA LYS B 9 -0.796 -6.859 -4.369 1.00 2.57 C ATOM 1014 C LYS B 9 0.254 -7.716 -5.082 1.00 1.88 C ATOM 1015 O LYS B 9 -0.086 -8.571 -5.900 1.00 1.98 O ATOM 1016 CB LYS B 9 -2.180 -7.123 -4.967 1.00 3.57 C ATOM 1017 CG LYS B 9 -2.708 -8.522 -4.694 1.00 4.55 C ATOM 1018 CD LYS B 9 -2.961 -8.739 -3.212 1.00 5.55 C ATOM 1019 CE LYS B 9 -3.522 -10.124 -2.938 1.00 6.48 C ATOM 1020 NZ LYS B 9 -4.857 -10.318 -3.568 1.00 7.18 N ATOM 0 H LYS B 9 -0.001 -5.142 -5.289 1.00 1.97 H new ATOM 0 HA LYS B 9 -0.790 -7.142 -3.316 1.00 2.57 H new ATOM 0 HB2 LYS B 9 -2.884 -6.394 -4.566 1.00 3.57 H new ATOM 0 HB3 LYS B 9 -2.136 -6.965 -6.045 1.00 3.57 H new ATOM 0 HG2 LYS B 9 -3.633 -8.678 -5.249 1.00 4.55 H new ATOM 0 HG3 LYS B 9 -1.991 -9.260 -5.054 1.00 4.55 H new ATOM 0 HD2 LYS B 9 -2.030 -8.607 -2.660 1.00 5.55 H new ATOM 0 HD3 LYS B 9 -3.658 -7.985 -2.847 1.00 5.55 H new ATOM 0 HE2 LYS B 9 -2.830 -10.877 -3.315 1.00 6.48 H new ATOM 0 HE3 LYS B 9 -3.603 -10.276 -1.862 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 -5.301 -11.176 -3.183 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 -5.460 -9.495 -3.364 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 -4.744 -10.418 -4.597 1.00 7.18 H new ATOM 1034 N ARG B 10 1.532 -7.483 -4.775 1.00 1.72 N ATOM 1035 CA ARG B 10 2.614 -8.259 -5.377 1.00 1.51 C ATOM 1036 C ARG B 10 3.343 -9.067 -4.306 1.00 1.39 C ATOM 1037 O ARG B 10 3.943 -10.101 -4.596 1.00 1.77 O ATOM 1038 CB ARG B 10 3.601 -7.342 -6.103 1.00 1.88 C ATOM 1039 CG ARG B 10 4.405 -6.447 -5.174 1.00 2.02 C ATOM 1040 CD ARG B 10 5.371 -5.567 -5.950 1.00 2.74 C ATOM 1041 NE ARG B 10 6.365 -6.352 -6.678 1.00 2.98 N ATOM 1042 CZ ARG B 10 7.425 -5.821 -7.277 1.00 3.73 C ATOM 1043 NH1 ARG B 10 7.631 -4.512 -7.228 1.00 4.23 N ATOM 1044 NH2 ARG B 10 8.282 -6.600 -7.924 1.00 4.33 N ATOM 0 H ARG B 10 1.840 -6.767 -4.117 1.00 1.72 H new ATOM 0 HA ARG B 10 2.179 -8.944 -6.105 1.00 1.51 H new ATOM 0 HB2 ARG B 10 4.288 -7.954 -6.687 1.00 1.88 H new ATOM 0 HB3 ARG B 10 3.052 -6.718 -6.808 1.00 1.88 H new ATOM 0 HG2 ARG B 10 3.728 -5.822 -4.593 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.960 -7.061 -4.465 1.00 2.02 H new ATOM 0 HD2 ARG B 10 4.813 -4.948 -6.653 1.00 2.74 H new ATOM 0 HD3 ARG B 10 5.877 -4.890 -5.262 1.00 2.74 H new ATOM 0 HE ARG B 10 6.238 -7.363 -6.729 1.00 2.98 H new ATOM 0 HH11 ARG B 10 6.975 -3.911 -6.730 1.00 4.23 H new ATOM 0 HH12 ARG B 10 8.446 -4.106 -7.689 1.00 4.23 H new ATOM 0 HH21 ARG B 10 8.127 -7.607 -7.962 1.00 4.33 H new ATOM 0 HH22 ARG B 10 9.096 -6.191 -8.384 1.00 4.33 H new ATOM 1058 N LYS B 11 3.284 -8.587 -3.068 1.00 1.29 N ATOM 1059 CA LYS B 11 3.920 -9.260 -1.947 1.00 1.35 C ATOM 1060 C LYS B 11 5.361 -9.636 -2.266 1.00 1.21 C ATOM 1061 O LYS B 11 5.658 -10.791 -2.573 1.00 1.55 O ATOM 1062 CB LYS B 11 3.138 -10.515 -1.564 1.00 1.85 C ATOM 1063 CG LYS B 11 4.284 -7.122 -1.767 1.00 2.93 C ATOM 1064 CD LYS B 11 3.667 -6.238 -0.695 1.00 3.41 C ATOM 1065 CE LYS B 11 3.825 -4.767 -1.036 1.00 4.24 C ATOM 1066 NZ LYS B 11 -0.591 -12.096 -2.710 1.00 4.49 N ATOM 0 H LYS B 11 2.797 -7.727 -2.817 1.00 1.29 H new ATOM 0 HA LYS B 11 3.924 -8.564 -1.108 1.00 1.35 H new ATOM 0 HB2 LYS B 11 2.303 -10.944 -2.118 1.00 1.85 H new ATOM 0 HB3 LYS B 11 3.428 -11.245 -0.809 1.00 1.85 H new ATOM 0 HG2 LYS B 11 5.370 -7.101 -1.671 1.00 2.93 H new ATOM 0 HG3 LYS B 11 4.043 -6.718 -2.750 1.00 2.93 H new ATOM 0 HD2 LYS B 11 2.609 -6.477 -0.588 1.00 3.41 H new ATOM 0 HD3 LYS B 11 4.139 -6.444 0.266 1.00 3.41 H new ATOM 0 HE2 LYS B 11 3.453 -3.946 -0.423 1.00 4.24 H new ATOM 0 HE3 LYS B 11 4.612 -4.360 -1.671 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 -1.026 -12.031 -3.652 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 0.060 -12.907 -2.684 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -1.334 -12.225 -1.994 1.00 4.49 H new ATOM 1080 N ALA B 12 6.251 -8.655 -2.193 1.00 0.95 N ATOM 1081 CA ALA B 12 7.663 -8.891 -2.453 1.00 1.15 C ATOM 1082 C ALA B 12 8.290 -9.639 -1.286 1.00 1.48 C ATOM 1083 O ALA B 12 9.257 -10.383 -1.452 1.00 2.05 O ATOM 1084 CB ALA B 12 8.386 -7.575 -2.683 1.00 1.09 C ATOM 0 H ALA B 12 6.020 -7.690 -1.956 1.00 0.95 H new ATOM 0 HA ALA B 12 7.756 -9.499 -3.353 1.00 1.15 H new ATOM 0 HB1 ALA B 12 9.441 -7.768 -2.876 1.00 1.09 H new ATOM 0 HB2 ALA B 12 7.948 -7.064 -3.540 1.00 1.09 H new ATOM 0 HB3 ALA B 12 8.288 -6.947 -1.798 1.00 1.09 H new ATOM 1090 N ASP B 13 7.727 -9.430 -0.100 1.00 1.42 N ATOM 1091 CA ASP B 13 8.211 -10.078 1.108 1.00 1.79 C ATOM 1092 C ASP B 13 7.191 -11.097 1.611 1.00 1.88 C ATOM 1093 O ASP B 13 6.923 -11.192 2.808 1.00 2.28 O ATOM 1094 CB ASP B 13 8.498 -9.029 2.185 1.00 2.20 C ATOM 1095 CG ASP B 13 8.982 -9.646 3.484 1.00 3.02 C ATOM 1096 OD1 ASP B 13 10.190 -9.944 3.586 1.00 3.80 O ATOM 1097 OD2 ASP B 13 8.152 -9.831 4.399 1.00 3.28 O ATOM 0 H ASP B 13 6.929 -8.812 0.048 1.00 1.42 H new ATOM 0 HA ASP B 13 9.137 -10.606 0.878 1.00 1.79 H new ATOM 0 HB2 ASP B 13 9.249 -8.331 1.816 1.00 2.20 H new ATOM 0 HB3 ASP B 13 7.593 -8.452 2.376 1.00 2.20 H new ATOM 1102 N SER B 14 6.621 -11.855 0.681 1.00 2.21 N ATOM 1103 CA SER B 14 5.632 -12.870 1.020 1.00 2.81 C ATOM 1104 C SER B 14 6.194 -13.859 2.036 1.00 3.10 C ATOM 1105 O SER B 14 6.044 -13.607 3.250 1.00 3.52 O ATOM 1106 CB SER B 14 5.187 -13.612 -0.240 1.00 3.34 C ATOM 1107 OG SER B 14 4.567 -12.734 -1.161 1.00 3.91 O ATOM 1108 OXT SER B 14 6.780 -14.876 1.609 1.00 3.46 O ATOM 0 H SER B 14 6.828 -11.785 -0.315 1.00 2.21 H new ATOM 0 HA SER B 14 4.771 -12.372 1.465 1.00 2.81 H new ATOM 0 HB2 SER B 14 6.049 -14.086 -0.710 1.00 3.34 H new ATOM 0 HB3 SER B 14 4.494 -14.408 0.030 1.00 3.34 H new ATOM 0 HG SER B 14 5.252 -12.204 -1.619 1.00 3.91 H new TER 1114 SER B 14