USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 70:sc= 0.197 USER MOD Single : A 48 SER OG : rot 170:sc= 0.0763 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 50 ASN : amide:sc= -2.79 X(o=-2.8,f=-2.9) USER MOD Single : A 52 SER OG : rot 50:sc= 0.892 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc=-0.00162 X(o=-0.0016,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.34 X(o=-4.3,f=-4.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -115:sc= -0.126 (180deg=-2.84!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 68:sc= -1.21 USER MOD Single : B 84 LYS NZ :NH3+ -131:sc= 0.242 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -14.980 -6.598 7.935 1.00 0.00 N ATOM 2 CA GLY A 16 -14.507 -7.978 7.638 1.00 0.00 C ATOM 3 C GLY A 16 -13.703 -8.053 6.359 1.00 0.00 C ATOM 4 O GLY A 16 -14.076 -7.464 5.345 1.00 0.00 O ATOM 0 HA2 GLY A 16 -13.898 -8.336 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.366 -8.645 7.563 1.00 0.00 H new ATOM 10 N ARG A 17 -12.596 -8.784 6.415 1.00 0.00 N ATOM 11 CA ARG A 17 -11.719 -8.948 5.264 1.00 0.00 C ATOM 12 C ARG A 17 -11.202 -7.610 4.771 1.00 0.00 C ATOM 13 O ARG A 17 -11.818 -6.955 3.929 1.00 0.00 O ATOM 14 CB ARG A 17 -12.439 -9.689 4.143 1.00 0.00 C ATOM 15 CG ARG A 17 -12.541 -11.175 4.409 1.00 0.00 C ATOM 16 CD ARG A 17 -12.042 -11.991 3.228 1.00 0.00 C ATOM 17 NE ARG A 17 -13.081 -12.180 2.218 1.00 0.00 N ATOM 18 CZ ARG A 17 -13.192 -13.274 1.470 1.00 0.00 C ATOM 19 NH1 ARG A 17 -12.325 -14.269 1.609 1.00 0.00 N ATOM 20 NH2 ARG A 17 -14.172 -13.373 0.581 1.00 0.00 N ATOM 0 H ARG A 17 -12.284 -9.276 7.252 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.862 -9.542 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.440 -9.275 4.021 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.910 -9.526 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.961 -11.427 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.578 -11.437 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.185 -11.491 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.696 -12.963 3.579 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.759 -11.431 2.079 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.570 -14.196 2.291 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.413 -15.107 1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.840 -12.610 0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.257 -14.212 0.007 1.00 0.00 H new ATOM 34 N VAL A 18 -10.057 -7.219 5.306 1.00 0.00 N ATOM 35 CA VAL A 18 -9.422 -5.961 4.937 1.00 0.00 C ATOM 36 C VAL A 18 -8.481 -6.157 3.755 1.00 0.00 C ATOM 37 O VAL A 18 -7.691 -7.101 3.732 1.00 0.00 O ATOM 38 CB VAL A 18 -8.636 -5.364 6.118 1.00 0.00 C ATOM 39 CG1 VAL A 18 -9.586 -4.784 7.153 1.00 0.00 C ATOM 40 CG2 VAL A 18 -7.730 -6.413 6.744 1.00 0.00 C ATOM 0 H VAL A 18 -9.544 -7.759 6.003 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.216 -5.268 4.656 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.009 -4.556 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.012 -4.367 7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.187 -3.998 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.241 -5.571 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.183 -5.971 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.333 -7.245 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.023 -6.776 5.998 1.00 0.00 H new ATOM 50 N ARG A 19 -8.573 -5.270 2.769 1.00 0.00 N ATOM 51 CA ARG A 19 -7.728 -5.365 1.585 1.00 0.00 C ATOM 52 C ARG A 19 -7.653 -4.035 0.838 1.00 0.00 C ATOM 53 O ARG A 19 -7.826 -3.991 -0.379 1.00 0.00 O ATOM 54 CB ARG A 19 -8.255 -6.459 0.654 1.00 0.00 C ATOM 55 CG ARG A 19 -9.767 -6.442 0.490 1.00 0.00 C ATOM 56 CD ARG A 19 -10.179 -6.792 -0.930 1.00 0.00 C ATOM 57 NE ARG A 19 -10.535 -8.202 -1.064 1.00 0.00 N ATOM 58 CZ ARG A 19 -10.415 -8.888 -2.197 1.00 0.00 C ATOM 59 NH1 ARG A 19 -9.951 -8.295 -3.290 1.00 0.00 N ATOM 60 NH2 ARG A 19 -10.760 -10.167 -2.240 1.00 0.00 N ATOM 0 H ARG A 19 -9.220 -4.482 2.766 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.720 -5.620 1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.790 -6.346 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.951 -7.432 1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.217 -7.151 1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.151 -5.455 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.028 -6.174 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.362 -6.558 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.896 -8.688 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.685 -7.311 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.860 -8.824 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.118 -10.627 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.667 -10.691 -3.110 1.00 0.00 H new ATOM 74 N TRP A 20 -7.400 -2.951 1.570 1.00 0.00 N ATOM 75 CA TRP A 20 -7.304 -1.624 0.971 1.00 0.00 C ATOM 76 C TRP A 20 -6.162 -0.838 1.595 1.00 0.00 C ATOM 77 O TRP A 20 -5.736 -1.130 2.709 1.00 0.00 O ATOM 78 CB TRP A 20 -8.622 -0.867 1.133 1.00 0.00 C ATOM 79 CG TRP A 20 -9.753 -1.544 0.437 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.423 -2.654 0.861 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.333 -1.171 -0.815 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.380 -3.004 -0.061 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.345 -2.104 -1.098 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.094 -0.138 -1.725 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.113 -2.036 -2.255 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.860 -0.070 -2.872 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.859 -1.015 -3.129 1.00 0.00 C ATOM 0 H TRP A 20 -7.258 -2.968 2.580 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.101 -1.742 -0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.856 -0.772 2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.509 0.143 0.740 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.230 -3.180 1.784 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.012 -3.801 0.013 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.324 0.595 -1.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.884 -2.765 -2.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.685 0.725 -3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.441 -0.937 -4.035 1.00 0.00 H new ATOM 98 N ALA A 21 -5.656 0.151 0.875 1.00 0.00 N ATOM 99 CA ALA A 21 -4.569 0.962 1.380 1.00 0.00 C ATOM 100 C ALA A 21 -4.963 2.427 1.372 1.00 0.00 C ATOM 101 O ALA A 21 -4.973 3.070 0.322 1.00 0.00 O ATOM 102 CB ALA A 21 -3.318 0.747 0.545 1.00 0.00 C ATOM 0 H ALA A 21 -5.982 0.408 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.356 0.663 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.509 1.363 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.028 -0.303 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.519 1.026 -0.489 1.00 0.00 H new ATOM 108 N ARG A 22 -5.271 2.962 2.547 1.00 0.00 N ATOM 109 CA ARG A 22 -5.640 4.362 2.654 1.00 0.00 C ATOM 110 C ARG A 22 -4.480 5.143 3.238 1.00 0.00 C ATOM 111 O ARG A 22 -4.144 5.003 4.418 1.00 0.00 O ATOM 112 CB ARG A 22 -6.907 4.537 3.500 1.00 0.00 C ATOM 113 CG ARG A 22 -7.051 5.917 4.127 1.00 0.00 C ATOM 114 CD ARG A 22 -7.830 5.856 5.431 1.00 0.00 C ATOM 115 NE ARG A 22 -8.226 7.181 5.897 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.114 7.388 6.865 1.00 0.00 C ATOM 117 NH1 ARG A 22 -9.695 6.358 7.468 1.00 0.00 N ATOM 118 NH2 ARG A 22 -9.423 8.624 7.232 1.00 0.00 N ATOM 0 H ARG A 22 -5.272 2.451 3.430 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.863 4.748 1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.778 4.341 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.908 3.788 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.063 6.339 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.558 6.584 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.719 5.240 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.221 5.371 6.194 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.797 7.994 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.461 5.405 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.376 6.519 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.979 9.419 6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.104 8.780 7.975 1.00 0.00 H new ATOM 132 N ALA A 23 -3.862 5.946 2.388 1.00 0.00 N ATOM 133 CA ALA A 23 -2.715 6.746 2.781 1.00 0.00 C ATOM 134 C ALA A 23 -3.118 7.968 3.591 1.00 0.00 C ATOM 135 O ALA A 23 -3.857 8.826 3.111 1.00 0.00 O ATOM 136 CB ALA A 23 -1.927 7.172 1.552 1.00 0.00 C ATOM 0 H ALA A 23 -4.139 6.061 1.413 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.088 6.123 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.070 7.771 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.579 6.288 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.567 7.763 0.897 1.00 0.00 H new ATOM 142 N LEU A 24 -2.599 8.049 4.810 1.00 0.00 N ATOM 143 CA LEU A 24 -2.866 9.180 5.687 1.00 0.00 C ATOM 144 C LEU A 24 -1.788 10.232 5.465 1.00 0.00 C ATOM 145 O LEU A 24 -1.963 11.412 5.766 1.00 0.00 O ATOM 146 CB LEU A 24 -2.879 8.731 7.150 1.00 0.00 C ATOM 147 CG LEU A 24 -3.437 7.328 7.393 1.00 0.00 C ATOM 148 CD1 LEU A 24 -2.936 6.778 8.719 1.00 0.00 C ATOM 149 CD2 LEU A 24 -4.959 7.346 7.360 1.00 0.00 C ATOM 0 H LEU A 24 -1.987 7.340 5.215 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.845 9.600 5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.860 8.772 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.467 9.444 7.728 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.085 6.674 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.343 5.779 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.847 6.728 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.258 7.432 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.339 6.339 7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.332 8.014 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.298 7.697 6.385 1.00 0.00 H new ATOM 161 N TYR A 25 -0.673 9.765 4.911 1.00 0.00 N ATOM 162 CA TYR A 25 0.474 10.607 4.598 1.00 0.00 C ATOM 163 C TYR A 25 1.030 10.206 3.236 1.00 0.00 C ATOM 164 O TYR A 25 0.511 9.287 2.602 1.00 0.00 O ATOM 165 CB TYR A 25 1.569 10.484 5.664 1.00 0.00 C ATOM 166 CG TYR A 25 1.118 9.838 6.957 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.394 10.557 7.900 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.428 8.513 7.238 1.00 0.00 C ATOM 169 CE1 TYR A 25 -0.010 9.973 9.084 1.00 0.00 C ATOM 170 CE2 TYR A 25 1.027 7.922 8.421 1.00 0.00 C ATOM 171 CZ TYR A 25 0.309 8.656 9.341 1.00 0.00 C ATOM 172 OH TYR A 25 -0.091 8.072 10.521 1.00 0.00 O ATOM 0 H TYR A 25 -0.540 8.784 4.665 1.00 0.00 H new ATOM 0 HA TYR A 25 0.145 11.646 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.395 9.905 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.956 11.479 5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.143 11.589 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.992 7.936 6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.574 10.545 9.806 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.275 6.891 8.624 1.00 0.00 H new ATOM 0 HH TYR A 25 0.213 7.141 10.545 1.00 0.00 H new ATOM 182 N ASP A 26 2.076 10.899 2.788 1.00 0.00 N ATOM 183 CA ASP A 26 2.700 10.611 1.495 1.00 0.00 C ATOM 184 C ASP A 26 2.961 9.111 1.312 1.00 0.00 C ATOM 185 O ASP A 26 2.672 8.301 2.192 1.00 0.00 O ATOM 186 CB ASP A 26 4.012 11.385 1.358 1.00 0.00 C ATOM 187 CG ASP A 26 4.140 12.074 0.013 1.00 0.00 C ATOM 188 OD1 ASP A 26 4.535 11.402 -0.962 1.00 0.00 O ATOM 189 OD2 ASP A 26 3.844 13.285 -0.064 1.00 0.00 O ATOM 0 H ASP A 26 2.511 11.666 3.302 1.00 0.00 H new ATOM 0 HA ASP A 26 2.006 10.929 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.076 12.129 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.850 10.701 1.494 1.00 0.00 H new ATOM 194 N PHE A 27 3.497 8.748 0.153 1.00 0.00 N ATOM 195 CA PHE A 27 3.774 7.349 -0.161 1.00 0.00 C ATOM 196 C PHE A 27 5.250 7.000 0.016 1.00 0.00 C ATOM 197 O PHE A 27 6.131 7.828 -0.218 1.00 0.00 O ATOM 198 CB PHE A 27 3.354 7.053 -1.598 1.00 0.00 C ATOM 199 CG PHE A 27 4.214 7.736 -2.625 1.00 0.00 C ATOM 200 CD1 PHE A 27 3.941 9.034 -3.024 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.295 7.078 -3.187 1.00 0.00 C ATOM 202 CE1 PHE A 27 4.731 9.664 -3.967 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.088 7.702 -4.131 1.00 0.00 C ATOM 204 CZ PHE A 27 5.805 8.997 -4.522 1.00 0.00 C ATOM 0 H PHE A 27 3.749 9.403 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 27 3.201 6.738 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.389 5.976 -1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.319 7.364 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.102 9.560 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.521 6.066 -2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.509 10.677 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.928 7.178 -4.563 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.423 9.486 -5.260 1.00 0.00 H new ATOM 214 N GLU A 28 5.503 5.761 0.433 1.00 0.00 N ATOM 215 CA GLU A 28 6.864 5.279 0.644 1.00 0.00 C ATOM 216 C GLU A 28 7.367 4.494 -0.561 1.00 0.00 C ATOM 217 O GLU A 28 8.418 3.856 -0.497 1.00 0.00 O ATOM 218 CB GLU A 28 6.927 4.387 1.884 1.00 0.00 C ATOM 219 CG GLU A 28 6.364 5.037 3.133 1.00 0.00 C ATOM 220 CD GLU A 28 7.413 5.233 4.209 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.603 4.309 5.028 1.00 0.00 O ATOM 222 OE2 GLU A 28 8.046 6.309 4.232 1.00 0.00 O ATOM 0 H GLU A 28 4.779 5.071 0.632 1.00 0.00 H new ATOM 0 HA GLU A 28 7.502 6.152 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.379 3.466 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.965 4.107 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.931 6.003 2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.556 4.421 3.526 1.00 0.00 H new ATOM 229 N ALA A 29 6.615 4.530 -1.657 1.00 0.00 N ATOM 230 CA ALA A 29 7.008 3.806 -2.859 1.00 0.00 C ATOM 231 C ALA A 29 8.222 4.454 -3.513 1.00 0.00 C ATOM 232 O ALA A 29 8.109 5.488 -4.171 1.00 0.00 O ATOM 233 CB ALA A 29 5.851 3.740 -3.841 1.00 0.00 C ATOM 0 H ALA A 29 5.739 5.047 -1.737 1.00 0.00 H new ATOM 0 HA ALA A 29 7.279 2.791 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.161 3.196 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.009 3.226 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.551 4.751 -4.118 1.00 0.00 H new ATOM 239 N LEU A 30 9.384 3.836 -3.331 1.00 0.00 N ATOM 240 CA LEU A 30 10.619 4.352 -3.908 1.00 0.00 C ATOM 241 C LEU A 30 11.130 3.420 -5.001 1.00 0.00 C ATOM 242 O LEU A 30 12.085 3.744 -5.709 1.00 0.00 O ATOM 243 CB LEU A 30 11.694 4.526 -2.828 1.00 0.00 C ATOM 244 CG LEU A 30 11.170 4.683 -1.399 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.297 4.491 -0.396 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.518 6.046 -1.215 1.00 0.00 C ATOM 0 H LEU A 30 9.496 2.979 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 30 10.403 5.326 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.360 3.664 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.294 5.402 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 30 10.416 3.916 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.907 4.606 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.720 3.493 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.072 5.236 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.152 6.139 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.251 6.829 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.684 6.147 -1.910 1.00 0.00 H new ATOM 258 N GLU A 31 10.490 2.261 -5.133 1.00 0.00 N ATOM 259 CA GLU A 31 10.888 1.286 -6.145 1.00 0.00 C ATOM 260 C GLU A 31 10.057 1.439 -7.416 1.00 0.00 C ATOM 261 O GLU A 31 9.075 2.182 -7.442 1.00 0.00 O ATOM 262 CB GLU A 31 10.750 -0.135 -5.595 1.00 0.00 C ATOM 263 CG GLU A 31 11.959 -0.597 -4.799 1.00 0.00 C ATOM 264 CD GLU A 31 13.041 -1.197 -5.675 1.00 0.00 C ATOM 265 OE1 GLU A 31 13.840 -0.424 -6.245 1.00 0.00 O ATOM 266 OE2 GLU A 31 13.092 -2.439 -5.790 1.00 0.00 O ATOM 0 H GLU A 31 9.699 1.975 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 31 11.932 1.471 -6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.866 -0.186 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.587 -0.823 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.371 0.248 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.643 -1.335 -4.062 1.00 0.00 H new ATOM 273 N GLU A 32 10.460 0.733 -8.471 1.00 0.00 N ATOM 274 CA GLU A 32 9.756 0.793 -9.750 1.00 0.00 C ATOM 275 C GLU A 32 8.519 -0.103 -9.740 1.00 0.00 C ATOM 276 O GLU A 32 7.481 0.252 -10.299 1.00 0.00 O ATOM 277 CB GLU A 32 10.692 0.388 -10.893 1.00 0.00 C ATOM 278 CG GLU A 32 11.060 -1.086 -10.894 1.00 0.00 C ATOM 279 CD GLU A 32 12.325 -1.374 -11.679 1.00 0.00 C ATOM 280 OE1 GLU A 32 13.022 -0.410 -12.060 1.00 0.00 O ATOM 281 OE2 GLU A 32 12.619 -2.565 -11.915 1.00 0.00 O ATOM 0 H GLU A 32 11.270 0.113 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 32 9.430 1.821 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.218 0.635 -11.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.605 0.980 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.191 -1.424 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.236 -1.661 -11.317 1.00 0.00 H new ATOM 288 N ASP A 33 8.633 -1.262 -9.098 1.00 0.00 N ATOM 289 CA ASP A 33 7.520 -2.201 -9.011 1.00 0.00 C ATOM 290 C ASP A 33 6.616 -1.847 -7.839 1.00 0.00 C ATOM 291 O ASP A 33 5.867 -2.687 -7.339 1.00 0.00 O ATOM 292 CB ASP A 33 8.038 -3.631 -8.853 1.00 0.00 C ATOM 293 CG ASP A 33 7.683 -4.508 -10.038 1.00 0.00 C ATOM 294 OD1 ASP A 33 6.487 -4.823 -10.206 1.00 0.00 O ATOM 295 OD2 ASP A 33 8.602 -4.877 -10.799 1.00 0.00 O ATOM 0 H ASP A 33 9.485 -1.573 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 33 6.944 -2.134 -9.934 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.121 -3.611 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.623 -4.067 -7.944 1.00 0.00 H new ATOM 300 N GLU A 34 6.699 -0.596 -7.402 1.00 0.00 N ATOM 301 CA GLU A 34 5.900 -0.123 -6.285 1.00 0.00 C ATOM 302 C GLU A 34 4.877 0.908 -6.740 1.00 0.00 C ATOM 303 O GLU A 34 4.986 1.470 -7.830 1.00 0.00 O ATOM 304 CB GLU A 34 6.807 0.484 -5.214 1.00 0.00 C ATOM 305 CG GLU A 34 6.999 -0.410 -4.001 1.00 0.00 C ATOM 306 CD GLU A 34 8.039 -1.491 -4.225 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.204 -1.927 -5.384 1.00 0.00 O ATOM 308 OE2 GLU A 34 8.687 -1.903 -3.240 1.00 0.00 O ATOM 0 H GLU A 34 7.315 0.109 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 34 5.364 -0.975 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.781 0.699 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.386 1.436 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.295 0.201 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.047 -0.876 -3.744 1.00 0.00 H new ATOM 315 N LEU A 35 3.889 1.160 -5.891 1.00 0.00 N ATOM 316 CA LEU A 35 2.848 2.132 -6.192 1.00 0.00 C ATOM 317 C LEU A 35 2.852 3.238 -5.147 1.00 0.00 C ATOM 318 O LEU A 35 3.007 2.976 -3.954 1.00 0.00 O ATOM 319 CB LEU A 35 1.479 1.451 -6.236 1.00 0.00 C ATOM 320 CG LEU A 35 0.277 2.397 -6.165 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.205 2.747 -7.564 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.843 1.769 -5.350 1.00 0.00 C ATOM 0 H LEU A 35 3.787 0.702 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 35 3.048 2.569 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.410 0.870 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.415 0.746 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 35 0.586 3.318 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.060 3.420 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.599 3.236 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.500 1.837 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.690 2.453 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.154 0.835 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.489 1.568 -4.339 1.00 0.00 H new ATOM 334 N GLY A 36 2.687 4.475 -5.600 1.00 0.00 N ATOM 335 CA GLY A 36 2.688 5.597 -4.687 1.00 0.00 C ATOM 336 C GLY A 36 1.360 6.318 -4.620 1.00 0.00 C ATOM 337 O GLY A 36 0.773 6.660 -5.647 1.00 0.00 O ATOM 0 H GLY A 36 2.553 4.719 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.952 5.244 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.461 6.303 -4.991 1.00 0.00 H new ATOM 341 N PHE A 37 0.896 6.560 -3.400 1.00 0.00 N ATOM 342 CA PHE A 37 -0.361 7.259 -3.175 1.00 0.00 C ATOM 343 C PHE A 37 -0.112 8.602 -2.500 1.00 0.00 C ATOM 344 O PHE A 37 1.032 8.991 -2.275 1.00 0.00 O ATOM 345 CB PHE A 37 -1.304 6.426 -2.306 1.00 0.00 C ATOM 346 CG PHE A 37 -0.619 5.379 -1.474 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.359 5.730 -0.557 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.961 4.043 -1.603 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.983 4.770 0.214 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.340 3.078 -0.835 1.00 0.00 C ATOM 351 CZ PHE A 37 0.632 3.442 0.076 1.00 0.00 C ATOM 0 H PHE A 37 1.377 6.279 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.826 7.422 -4.147 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.855 7.095 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.037 5.939 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.636 6.768 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.722 3.753 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.744 5.057 0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.614 2.039 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.117 2.689 0.680 1.00 0.00 H new ATOM 361 N ARG A 38 -1.191 9.301 -2.173 1.00 0.00 N ATOM 362 CA ARG A 38 -1.088 10.599 -1.516 1.00 0.00 C ATOM 363 C ARG A 38 -1.978 10.652 -0.278 1.00 0.00 C ATOM 364 O ARG A 38 -2.806 9.767 -0.061 1.00 0.00 O ATOM 365 CB ARG A 38 -1.470 11.716 -2.486 1.00 0.00 C ATOM 366 CG ARG A 38 -0.846 11.562 -3.864 1.00 0.00 C ATOM 367 CD ARG A 38 -0.645 12.908 -4.539 1.00 0.00 C ATOM 368 NE ARG A 38 -1.888 13.672 -4.612 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.110 14.635 -5.501 1.00 0.00 C ATOM 370 NH1 ARG A 38 -1.176 14.952 -6.389 1.00 0.00 N ATOM 371 NH2 ARG A 38 -3.267 15.281 -5.505 1.00 0.00 N ATOM 0 H ARG A 38 -2.147 8.992 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.054 10.741 -1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.555 11.743 -2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.166 12.674 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.113 11.052 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.485 10.934 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.102 13.481 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.253 12.755 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.627 13.454 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.285 14.456 -6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.350 15.691 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.988 15.039 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.436 16.020 -6.188 1.00 0.00 H new ATOM 385 N SER A 39 -1.800 11.693 0.532 1.00 0.00 N ATOM 386 CA SER A 39 -2.587 11.861 1.749 1.00 0.00 C ATOM 387 C SER A 39 -4.082 11.777 1.451 1.00 0.00 C ATOM 388 O SER A 39 -4.556 12.309 0.448 1.00 0.00 O ATOM 389 CB SER A 39 -2.264 13.202 2.409 1.00 0.00 C ATOM 390 OG SER A 39 -3.034 13.393 3.584 1.00 0.00 O ATOM 0 H SER A 39 -1.117 12.433 0.367 1.00 0.00 H new ATOM 0 HA SER A 39 -2.326 11.053 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.203 13.243 2.656 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.460 14.013 1.707 1.00 0.00 H new ATOM 0 HG SER A 39 -2.731 12.772 4.279 1.00 0.00 H new ATOM 396 N GLY A 40 -4.814 11.103 2.332 1.00 0.00 N ATOM 397 CA GLY A 40 -6.247 10.952 2.157 1.00 0.00 C ATOM 398 C GLY A 40 -6.615 10.326 0.825 1.00 0.00 C ATOM 399 O GLY A 40 -7.310 10.940 0.016 1.00 0.00 O ATOM 0 H GLY A 40 -4.438 10.656 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.644 10.336 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.723 11.929 2.238 1.00 0.00 H new ATOM 403 N GLU A 41 -6.147 9.101 0.594 1.00 0.00 N ATOM 404 CA GLU A 41 -6.437 8.399 -0.654 1.00 0.00 C ATOM 405 C GLU A 41 -6.831 6.949 -0.397 1.00 0.00 C ATOM 406 O GLU A 41 -6.376 6.333 0.565 1.00 0.00 O ATOM 407 CB GLU A 41 -5.226 8.450 -1.587 1.00 0.00 C ATOM 408 CG GLU A 41 -5.004 9.816 -2.218 1.00 0.00 C ATOM 409 CD GLU A 41 -5.895 10.052 -3.422 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.948 9.171 -4.306 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.541 11.119 -3.480 1.00 0.00 O ATOM 0 H GLU A 41 -5.569 8.577 1.251 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.279 8.902 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.334 8.168 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.354 7.710 -2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.191 10.591 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.960 9.908 -2.519 1.00 0.00 H new ATOM 418 N VAL A 42 -7.682 6.414 -1.267 1.00 0.00 N ATOM 419 CA VAL A 42 -8.144 5.036 -1.144 1.00 0.00 C ATOM 420 C VAL A 42 -7.549 4.159 -2.242 1.00 0.00 C ATOM 421 O VAL A 42 -7.576 4.517 -3.419 1.00 0.00 O ATOM 422 CB VAL A 42 -9.682 4.952 -1.207 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.147 3.510 -1.069 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.307 5.827 -0.131 1.00 0.00 C ATOM 0 H VAL A 42 -8.067 6.916 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.809 4.673 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.008 5.321 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.235 3.473 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.728 2.913 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.811 3.109 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.393 5.756 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.974 5.490 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.002 6.863 -0.282 1.00 0.00 H new ATOM 434 N VAL A 43 -7.010 3.010 -1.846 1.00 0.00 N ATOM 435 CA VAL A 43 -6.403 2.080 -2.792 1.00 0.00 C ATOM 436 C VAL A 43 -6.936 0.666 -2.589 1.00 0.00 C ATOM 437 O VAL A 43 -7.183 0.245 -1.461 1.00 0.00 O ATOM 438 CB VAL A 43 -4.869 2.062 -2.643 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.238 1.138 -3.671 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.304 3.469 -2.761 1.00 0.00 C ATOM 0 H VAL A 43 -6.981 2.700 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.665 2.424 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.626 1.679 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.155 1.141 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.616 0.125 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.489 1.484 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.220 3.436 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.559 3.883 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.727 4.098 -1.978 1.00 0.00 H new ATOM 450 N GLU A 44 -7.101 -0.069 -3.685 1.00 0.00 N ATOM 451 CA GLU A 44 -7.592 -1.441 -3.613 1.00 0.00 C ATOM 452 C GLU A 44 -6.419 -2.414 -3.548 1.00 0.00 C ATOM 453 O GLU A 44 -5.666 -2.556 -4.512 1.00 0.00 O ATOM 454 CB GLU A 44 -8.481 -1.756 -4.819 1.00 0.00 C ATOM 455 CG GLU A 44 -8.970 -3.196 -4.855 1.00 0.00 C ATOM 456 CD GLU A 44 -10.176 -3.380 -5.755 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.167 -2.835 -6.879 1.00 0.00 O ATOM 458 OE2 GLU A 44 -11.130 -4.069 -5.336 1.00 0.00 O ATOM 0 H GLU A 44 -6.903 0.261 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.190 -1.551 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.343 -1.089 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.926 -1.546 -5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.162 -3.842 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.224 -3.515 -3.844 1.00 0.00 H new ATOM 465 N VAL A 45 -6.265 -3.075 -2.404 1.00 0.00 N ATOM 466 CA VAL A 45 -5.175 -4.026 -2.214 1.00 0.00 C ATOM 467 C VAL A 45 -5.501 -5.370 -2.854 1.00 0.00 C ATOM 468 O VAL A 45 -6.632 -5.851 -2.775 1.00 0.00 O ATOM 469 CB VAL A 45 -4.857 -4.236 -0.718 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.847 -5.359 -0.528 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.346 -2.946 -0.098 1.00 0.00 C ATOM 0 H VAL A 45 -6.880 -2.970 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.297 -3.600 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.779 -4.523 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.640 -5.486 0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.253 -6.286 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.923 -5.110 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.127 -3.111 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.438 -2.630 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.106 -2.171 -0.193 1.00 0.00 H new ATOM 481 N LEU A 46 -4.502 -5.964 -3.494 1.00 0.00 N ATOM 482 CA LEU A 46 -4.673 -7.247 -4.160 1.00 0.00 C ATOM 483 C LEU A 46 -4.103 -8.387 -3.319 1.00 0.00 C ATOM 484 O LEU A 46 -4.558 -9.527 -3.418 1.00 0.00 O ATOM 485 CB LEU A 46 -3.996 -7.216 -5.531 1.00 0.00 C ATOM 486 CG LEU A 46 -4.953 -7.223 -6.724 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.199 -6.941 -8.014 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.685 -8.553 -6.814 1.00 0.00 C ATOM 0 H LEU A 46 -3.562 -5.575 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.741 -7.424 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.371 -6.325 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.332 -8.077 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.691 -6.434 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.896 -6.950 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.721 -5.963 -7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.439 -7.707 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.361 -8.539 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.961 -9.359 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.258 -8.716 -5.901 1.00 0.00 H new ATOM 500 N ASP A 47 -3.103 -8.076 -2.498 1.00 0.00 N ATOM 501 CA ASP A 47 -2.475 -9.081 -1.649 1.00 0.00 C ATOM 502 C ASP A 47 -1.977 -8.472 -0.339 1.00 0.00 C ATOM 503 O ASP A 47 -0.854 -7.973 -0.262 1.00 0.00 O ATOM 504 CB ASP A 47 -1.312 -9.745 -2.389 1.00 0.00 C ATOM 505 CG ASP A 47 -1.785 -10.667 -3.496 1.00 0.00 C ATOM 506 OD1 ASP A 47 -2.328 -11.746 -3.178 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.614 -10.310 -4.680 1.00 0.00 O ATOM 0 H ASP A 47 -2.712 -7.139 -2.404 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.228 -9.832 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.666 -8.975 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.709 -10.312 -1.680 1.00 0.00 H new ATOM 512 N SER A 48 -2.820 -8.528 0.689 1.00 0.00 N ATOM 513 CA SER A 48 -2.476 -7.997 2.005 1.00 0.00 C ATOM 514 C SER A 48 -1.723 -9.021 2.819 1.00 0.00 C ATOM 515 O SER A 48 -1.337 -8.751 3.956 1.00 0.00 O ATOM 516 CB SER A 48 -3.737 -7.554 2.749 1.00 0.00 C ATOM 517 OG SER A 48 -4.868 -8.291 2.318 1.00 0.00 O ATOM 0 H SER A 48 -3.752 -8.939 0.635 1.00 0.00 H new ATOM 0 HA SER A 48 -1.830 -7.131 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.597 -7.690 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.907 -6.490 2.582 1.00 0.00 H new ATOM 0 HG SER A 48 -5.624 -8.108 2.914 1.00 0.00 H new ATOM 523 N SER A 49 -1.476 -10.189 2.239 1.00 0.00 N ATOM 524 CA SER A 49 -0.725 -11.187 2.962 1.00 0.00 C ATOM 525 C SER A 49 0.746 -10.812 2.907 1.00 0.00 C ATOM 526 O SER A 49 1.361 -10.813 1.841 1.00 0.00 O ATOM 527 CB SER A 49 -0.948 -12.576 2.360 1.00 0.00 C ATOM 528 OG SER A 49 -2.012 -12.563 1.425 1.00 0.00 O ATOM 0 H SER A 49 -1.776 -10.456 1.301 1.00 0.00 H new ATOM 0 HA SER A 49 -1.062 -11.221 3.998 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.035 -12.914 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.167 -13.289 3.155 1.00 0.00 H new ATOM 0 HG SER A 49 -2.132 -13.462 1.054 1.00 0.00 H new ATOM 534 N ASN A 50 1.276 -10.485 4.076 1.00 0.00 N ATOM 535 CA ASN A 50 2.666 -10.073 4.252 1.00 0.00 C ATOM 536 C ASN A 50 2.807 -9.393 5.610 1.00 0.00 C ATOM 537 O ASN A 50 1.809 -8.987 6.204 1.00 0.00 O ATOM 538 CB ASN A 50 3.082 -9.105 3.147 1.00 0.00 C ATOM 539 CG ASN A 50 3.930 -9.756 2.074 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.873 -10.492 2.365 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.591 -9.481 0.819 1.00 0.00 N ATOM 0 H ASN A 50 0.745 -10.498 4.947 1.00 0.00 H new ATOM 0 HA ASN A 50 3.311 -10.950 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.189 -8.681 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.637 -8.277 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.121 -9.886 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.801 -8.865 0.627 1.00 0.00 H new ATOM 548 N PRO A 51 4.033 -9.277 6.144 1.00 0.00 N ATOM 549 CA PRO A 51 4.252 -8.670 7.447 1.00 0.00 C ATOM 550 C PRO A 51 4.578 -7.177 7.404 1.00 0.00 C ATOM 551 O PRO A 51 4.859 -6.581 8.445 1.00 0.00 O ATOM 552 CB PRO A 51 5.449 -9.461 7.958 1.00 0.00 C ATOM 553 CG PRO A 51 6.252 -9.766 6.730 1.00 0.00 C ATOM 554 CD PRO A 51 5.295 -9.755 5.557 1.00 0.00 C ATOM 0 HA PRO A 51 3.357 -8.712 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.029 -8.882 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.134 -10.374 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.040 -9.025 6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.740 -10.737 6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.643 -9.095 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.184 -10.748 5.121 1.00 0.00 H new ATOM 562 N SER A 52 4.544 -6.564 6.220 1.00 0.00 N ATOM 563 CA SER A 52 4.849 -5.136 6.119 1.00 0.00 C ATOM 564 C SER A 52 4.558 -4.566 4.733 1.00 0.00 C ATOM 565 O SER A 52 4.028 -3.464 4.615 1.00 0.00 O ATOM 566 CB SER A 52 6.313 -4.884 6.476 1.00 0.00 C ATOM 567 OG SER A 52 6.445 -4.445 7.817 1.00 0.00 O ATOM 0 H SER A 52 4.314 -7.020 5.337 1.00 0.00 H new ATOM 0 HA SER A 52 4.196 -4.625 6.826 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.888 -5.799 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.731 -4.135 5.803 1.00 0.00 H new ATOM 0 HG SER A 52 5.943 -5.044 8.408 1.00 0.00 H new ATOM 573 N TRP A 53 4.924 -5.298 3.689 1.00 0.00 N ATOM 574 CA TRP A 53 4.711 -4.825 2.323 1.00 0.00 C ATOM 575 C TRP A 53 3.647 -5.648 1.601 1.00 0.00 C ATOM 576 O TRP A 53 3.848 -6.832 1.331 1.00 0.00 O ATOM 577 CB TRP A 53 6.019 -4.886 1.534 1.00 0.00 C ATOM 578 CG TRP A 53 6.880 -3.669 1.688 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.843 -3.457 2.631 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.861 -2.500 0.864 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.423 -2.225 2.444 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.836 -1.617 1.364 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.111 -2.113 -0.249 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.081 -0.374 0.787 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.354 -0.879 -0.819 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.332 -0.022 -0.301 1.00 0.00 C ATOM 0 H TRP A 53 5.366 -6.214 3.758 1.00 0.00 H new ATOM 0 HA TRP A 53 4.363 -3.794 2.385 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.584 -5.761 1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.788 -5.024 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.110 -4.155 3.410 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.169 -1.828 3.015 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.355 -2.767 -0.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.836 0.288 1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.779 -0.570 -1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.498 0.936 -0.770 1.00 0.00 H new ATOM 597 N TRP A 54 2.525 -5.012 1.269 1.00 0.00 N ATOM 598 CA TRP A 54 1.450 -5.694 0.555 1.00 0.00 C ATOM 599 C TRP A 54 1.349 -5.188 -0.881 1.00 0.00 C ATOM 600 O TRP A 54 1.640 -4.025 -1.161 1.00 0.00 O ATOM 601 CB TRP A 54 0.097 -5.498 1.248 1.00 0.00 C ATOM 602 CG TRP A 54 0.083 -5.823 2.710 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.975 -6.593 3.387 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.892 -5.398 3.671 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.612 -6.690 4.705 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.527 -5.958 4.908 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.037 -4.600 3.604 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.266 -5.747 6.069 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.769 -4.389 4.758 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.380 -4.959 5.976 1.00 0.00 C ATOM 0 H TRP A 54 2.338 -4.032 1.482 1.00 0.00 H new ATOM 0 HA TRP A 54 1.694 -6.756 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.214 -4.461 1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.645 -6.119 0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.844 -7.061 2.950 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.110 -7.222 5.419 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.344 -4.156 2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.970 -6.189 7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.656 -3.774 4.719 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.972 -4.773 6.860 1.00 0.00 H new ATOM 621 N THR A 55 0.929 -6.068 -1.784 1.00 0.00 N ATOM 622 CA THR A 55 0.781 -5.711 -3.191 1.00 0.00 C ATOM 623 C THR A 55 -0.615 -5.160 -3.474 1.00 0.00 C ATOM 624 O THR A 55 -1.612 -5.855 -3.291 1.00 0.00 O ATOM 625 CB THR A 55 1.028 -6.925 -4.107 1.00 0.00 C ATOM 626 OG1 THR A 55 2.189 -7.640 -3.670 1.00 0.00 O ATOM 627 CG2 THR A 55 1.210 -6.484 -5.552 1.00 0.00 C ATOM 0 H THR A 55 0.685 -7.034 -1.567 1.00 0.00 H new ATOM 0 HA THR A 55 1.526 -4.944 -3.402 1.00 0.00 H new ATOM 0 HB THR A 55 0.158 -7.579 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.338 -8.411 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.383 -7.358 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.312 -5.966 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.065 -5.812 -5.622 1.00 0.00 H new ATOM 635 N GLY A 56 -0.676 -3.909 -3.922 1.00 0.00 N ATOM 636 CA GLY A 56 -1.955 -3.291 -4.225 1.00 0.00 C ATOM 637 C GLY A 56 -1.890 -2.413 -5.460 1.00 0.00 C ATOM 638 O GLY A 56 -0.826 -2.253 -6.053 1.00 0.00 O ATOM 0 H GLY A 56 0.136 -3.313 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.706 -4.067 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.278 -2.693 -3.373 1.00 0.00 H new ATOM 642 N ARG A 57 -3.028 -1.847 -5.854 1.00 0.00 N ATOM 643 CA ARG A 57 -3.071 -0.988 -7.034 1.00 0.00 C ATOM 644 C ARG A 57 -4.007 0.202 -6.833 1.00 0.00 C ATOM 645 O ARG A 57 -5.134 0.052 -6.358 1.00 0.00 O ATOM 646 CB ARG A 57 -3.500 -1.791 -8.263 1.00 0.00 C ATOM 647 CG ARG A 57 -4.751 -2.626 -8.041 1.00 0.00 C ATOM 648 CD ARG A 57 -5.359 -3.081 -9.357 1.00 0.00 C ATOM 649 NE ARG A 57 -6.457 -4.022 -9.159 1.00 0.00 N ATOM 650 CZ ARG A 57 -6.666 -5.087 -9.926 1.00 0.00 C ATOM 651 NH1 ARG A 57 -5.856 -5.347 -10.944 1.00 0.00 N ATOM 652 NH2 ARG A 57 -7.688 -5.894 -9.678 1.00 0.00 N ATOM 0 H ARG A 57 -3.923 -1.966 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.065 -0.599 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.674 -1.105 -9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.683 -2.448 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.505 -3.496 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.484 -2.044 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.721 -2.213 -9.908 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.588 -3.548 -9.970 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.102 -3.852 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.069 -4.728 -11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.020 -6.166 -11.530 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.315 -5.698 -8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.847 -6.711 -10.267 1.00 0.00 H new ATOM 666 N LEU A 58 -3.526 1.385 -7.215 1.00 0.00 N ATOM 667 CA LEU A 58 -4.303 2.615 -7.097 1.00 0.00 C ATOM 668 C LEU A 58 -4.928 2.972 -8.440 1.00 0.00 C ATOM 669 O LEU A 58 -4.219 3.268 -9.402 1.00 0.00 O ATOM 670 CB LEU A 58 -3.405 3.763 -6.618 1.00 0.00 C ATOM 671 CG LEU A 58 -4.136 4.984 -6.050 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.215 5.772 -5.132 1.00 0.00 C ATOM 673 CD2 LEU A 58 -4.653 5.872 -7.173 1.00 0.00 C ATOM 0 H LEU A 58 -2.595 1.516 -7.611 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.097 2.458 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.731 3.378 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.786 4.089 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.990 4.634 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.748 6.636 -4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.892 5.136 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.343 6.109 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.169 6.733 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.816 6.214 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.345 5.305 -7.795 1.00 0.00 H new ATOM 685 N HIS A 59 -6.257 2.933 -8.497 1.00 0.00 N ATOM 686 CA HIS A 59 -6.986 3.240 -9.724 1.00 0.00 C ATOM 687 C HIS A 59 -6.692 2.199 -10.801 1.00 0.00 C ATOM 688 O HIS A 59 -7.440 1.234 -10.960 1.00 0.00 O ATOM 689 CB HIS A 59 -6.629 4.642 -10.230 1.00 0.00 C ATOM 690 CG HIS A 59 -7.569 5.709 -9.758 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.004 6.739 -10.565 1.00 0.00 N ATOM 692 CD2 HIS A 59 -8.157 5.903 -8.553 1.00 0.00 C ATOM 693 CE1 HIS A 59 -8.818 7.520 -9.878 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.928 7.035 -8.655 1.00 0.00 N ATOM 0 H HIS A 59 -6.852 2.691 -7.705 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.052 3.214 -9.499 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.619 4.890 -9.905 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.620 4.634 -11.320 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.041 5.283 -7.676 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.310 8.405 -10.253 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.494 7.436 -7.907 1.00 0.00 H new ATOM 703 N ASN A 60 -5.600 2.394 -11.534 1.00 0.00 N ATOM 704 CA ASN A 60 -5.215 1.463 -12.590 1.00 0.00 C ATOM 705 C ASN A 60 -3.712 1.194 -12.570 1.00 0.00 C ATOM 706 O ASN A 60 -3.182 0.517 -13.451 1.00 0.00 O ATOM 707 CB ASN A 60 -5.627 2.009 -13.957 1.00 0.00 C ATOM 708 CG ASN A 60 -6.576 1.084 -14.693 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.930 0.015 -14.197 1.00 0.00 O ATOM 710 ND2 ASN A 60 -6.993 1.492 -15.886 1.00 0.00 N ATOM 0 H ASN A 60 -4.968 3.186 -11.417 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.733 0.521 -12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.101 2.982 -13.827 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.736 2.167 -14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.632 0.911 -16.429 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.674 2.386 -16.259 1.00 0.00 H new ATOM 717 N LYS A 61 -3.035 1.719 -11.556 1.00 0.00 N ATOM 718 CA LYS A 61 -1.600 1.526 -11.414 1.00 0.00 C ATOM 719 C LYS A 61 -1.320 0.453 -10.371 1.00 0.00 C ATOM 720 O LYS A 61 -1.836 0.517 -9.257 1.00 0.00 O ATOM 721 CB LYS A 61 -0.922 2.840 -11.021 1.00 0.00 C ATOM 722 CG LYS A 61 -1.221 3.982 -11.979 1.00 0.00 C ATOM 723 CD LYS A 61 -0.859 5.328 -11.374 1.00 0.00 C ATOM 724 CE LYS A 61 0.522 5.781 -11.812 1.00 0.00 C ATOM 725 NZ LYS A 61 0.572 7.246 -12.063 1.00 0.00 N ATOM 0 H LYS A 61 -3.459 2.283 -10.819 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.193 1.201 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.245 3.122 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.156 2.685 -10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.664 3.837 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.279 3.972 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.598 6.072 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.893 5.260 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.250 5.519 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.808 5.248 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.532 7.515 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.104 7.493 -12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.324 7.756 -11.191 1.00 0.00 H new ATOM 739 N LEU A 62 -0.514 -0.535 -10.738 1.00 0.00 N ATOM 740 CA LEU A 62 -0.188 -1.628 -9.828 1.00 0.00 C ATOM 741 C LEU A 62 1.206 -1.453 -9.237 1.00 0.00 C ATOM 742 O LEU A 62 2.136 -1.032 -9.925 1.00 0.00 O ATOM 743 CB LEU A 62 -0.280 -2.969 -10.560 1.00 0.00 C ATOM 744 CG LEU A 62 -1.391 -3.060 -11.609 1.00 0.00 C ATOM 745 CD1 LEU A 62 -0.808 -3.001 -13.013 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.199 -4.334 -11.419 1.00 0.00 C ATOM 0 H LEU A 62 -0.075 -0.603 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.910 -1.614 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.675 -3.166 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.431 -3.758 -9.823 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.057 -2.207 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.613 -3.067 -13.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.274 -2.060 -13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.119 -3.833 -13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.985 -4.383 -12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.544 -5.199 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.649 -4.335 -10.426 1.00 0.00 H new ATOM 758 N GLY A 63 1.338 -1.774 -7.953 1.00 0.00 N ATOM 759 CA GLY A 63 2.618 -1.643 -7.286 1.00 0.00 C ATOM 760 C GLY A 63 2.527 -1.885 -5.790 1.00 0.00 C ATOM 761 O GLY A 63 1.498 -1.617 -5.170 1.00 0.00 O ATOM 0 H GLY A 63 0.581 -2.122 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.324 -2.350 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.016 -0.644 -7.465 1.00 0.00 H new ATOM 765 N LEU A 64 3.612 -2.390 -5.210 1.00 0.00 N ATOM 766 CA LEU A 64 3.658 -2.670 -3.777 1.00 0.00 C ATOM 767 C LEU A 64 3.572 -1.377 -2.968 1.00 0.00 C ATOM 768 O LEU A 64 3.935 -0.308 -3.456 1.00 0.00 O ATOM 769 CB LEU A 64 4.942 -3.429 -3.424 1.00 0.00 C ATOM 770 CG LEU A 64 5.610 -4.164 -4.590 1.00 0.00 C ATOM 771 CD1 LEU A 64 6.961 -4.717 -4.166 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.713 -5.282 -5.102 1.00 0.00 C ATOM 0 H LEU A 64 4.472 -2.614 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 64 2.799 -3.292 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.658 -2.723 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.713 -4.154 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 64 5.767 -3.452 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.422 -5.236 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.606 -3.898 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.826 -5.414 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.205 -5.793 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.524 -5.993 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.768 -4.862 -5.445 1.00 0.00 H new ATOM 784 N PHE A 65 3.086 -1.477 -1.733 1.00 0.00 N ATOM 785 CA PHE A 65 2.950 -0.304 -0.872 1.00 0.00 C ATOM 786 C PHE A 65 3.289 -0.639 0.583 1.00 0.00 C ATOM 787 O PHE A 65 3.301 -1.808 0.971 1.00 0.00 O ATOM 788 CB PHE A 65 1.522 0.257 -0.959 1.00 0.00 C ATOM 789 CG PHE A 65 0.569 -0.368 0.018 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.452 0.144 1.297 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.196 -1.467 -0.333 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.404 -0.424 2.211 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.062 -2.041 0.577 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.165 -1.520 1.855 1.00 0.00 C ATOM 0 H PHE A 65 2.781 -2.353 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 65 3.656 0.450 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.552 1.333 -0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.143 0.107 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.042 1.003 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.115 -1.879 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.481 -0.013 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.658 -2.895 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.838 -1.969 2.571 1.00 0.00 H new ATOM 804 N PRO A 66 3.557 0.390 1.414 1.00 0.00 N ATOM 805 CA PRO A 66 3.885 0.204 2.832 1.00 0.00 C ATOM 806 C PRO A 66 2.644 -0.017 3.695 1.00 0.00 C ATOM 807 O PRO A 66 1.883 0.916 3.952 1.00 0.00 O ATOM 808 CB PRO A 66 4.533 1.534 3.193 1.00 0.00 C ATOM 809 CG PRO A 66 3.790 2.514 2.360 1.00 0.00 C ATOM 810 CD PRO A 66 3.562 1.825 1.044 1.00 0.00 C ATOM 0 HA PRO A 66 4.510 -0.673 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.435 1.754 4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.599 1.538 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.845 2.791 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.362 3.432 2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.619 2.127 0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.350 2.054 0.327 1.00 0.00 H new ATOM 818 N ALA A 67 2.445 -1.248 4.149 1.00 0.00 N ATOM 819 CA ALA A 67 1.298 -1.570 4.988 1.00 0.00 C ATOM 820 C ALA A 67 1.426 -0.913 6.357 1.00 0.00 C ATOM 821 O ALA A 67 0.467 -0.865 7.127 1.00 0.00 O ATOM 822 CB ALA A 67 1.154 -3.075 5.138 1.00 0.00 C ATOM 0 H ALA A 67 3.060 -2.037 3.951 1.00 0.00 H new ATOM 0 HA ALA A 67 0.403 -1.180 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.292 -3.297 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.012 -3.527 4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.054 -3.483 5.598 1.00 0.00 H new ATOM 828 N ASN A 68 2.621 -0.411 6.651 1.00 0.00 N ATOM 829 CA ASN A 68 2.884 0.243 7.927 1.00 0.00 C ATOM 830 C ASN A 68 2.570 1.735 7.852 1.00 0.00 C ATOM 831 O ASN A 68 2.211 2.352 8.854 1.00 0.00 O ATOM 832 CB ASN A 68 4.343 0.024 8.342 1.00 0.00 C ATOM 833 CG ASN A 68 5.035 1.304 8.778 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.213 1.550 9.971 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.429 2.125 7.809 1.00 0.00 N ATOM 0 H ASN A 68 3.423 -0.445 6.022 1.00 0.00 H new ATOM 0 HA ASN A 68 2.233 -0.201 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.378 -0.698 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.891 -0.412 7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.900 2.999 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.260 1.880 6.833 1.00 0.00 H new ATOM 842 N TYR A 69 2.712 2.311 6.661 1.00 0.00 N ATOM 843 CA TYR A 69 2.447 3.733 6.469 1.00 0.00 C ATOM 844 C TYR A 69 0.951 4.002 6.350 1.00 0.00 C ATOM 845 O TYR A 69 0.446 4.978 6.906 1.00 0.00 O ATOM 846 CB TYR A 69 3.173 4.254 5.230 1.00 0.00 C ATOM 847 CG TYR A 69 3.853 5.588 5.445 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.900 5.718 6.352 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.450 6.717 4.744 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.523 6.936 6.551 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.070 7.937 4.937 1.00 0.00 C ATOM 852 CZ TYR A 69 5.105 8.041 5.841 1.00 0.00 C ATOM 853 OH TYR A 69 5.724 9.254 6.037 1.00 0.00 O ATOM 0 H TYR A 69 3.008 1.817 5.819 1.00 0.00 H new ATOM 0 HA TYR A 69 2.822 4.262 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.918 3.521 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.458 4.347 4.412 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.231 4.854 6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.638 6.640 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.334 7.021 7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.745 8.805 4.382 1.00 0.00 H new ATOM 0 HH TYR A 69 5.311 9.929 5.459 1.00 0.00 H new ATOM 863 N VAL A 70 0.244 3.139 5.624 1.00 0.00 N ATOM 864 CA VAL A 70 -1.196 3.309 5.443 1.00 0.00 C ATOM 865 C VAL A 70 -1.967 2.078 5.925 1.00 0.00 C ATOM 866 O VAL A 70 -1.406 0.987 6.031 1.00 0.00 O ATOM 867 CB VAL A 70 -1.540 3.603 3.967 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.406 4.364 3.298 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.846 2.323 3.207 1.00 0.00 C ATOM 0 H VAL A 70 0.639 2.323 5.156 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.499 4.163 6.048 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.435 4.224 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.665 4.563 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.244 5.308 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.505 3.767 3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.084 2.563 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.977 1.666 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.696 1.821 3.668 1.00 0.00 H new ATOM 879 N ALA A 71 -3.252 2.267 6.231 1.00 0.00 N ATOM 880 CA ALA A 71 -4.093 1.172 6.721 1.00 0.00 C ATOM 881 C ALA A 71 -5.346 0.986 5.861 1.00 0.00 C ATOM 882 O ALA A 71 -5.814 1.929 5.223 1.00 0.00 O ATOM 883 CB ALA A 71 -4.481 1.421 8.170 1.00 0.00 C ATOM 0 H ALA A 71 -3.732 3.163 6.149 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.511 0.253 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.106 0.602 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.581 1.483 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.034 2.357 8.243 1.00 0.00 H new ATOM 889 N PRO A 72 -5.900 -0.247 5.823 1.00 0.00 N ATOM 890 CA PRO A 72 -7.096 -0.565 5.029 1.00 0.00 C ATOM 891 C PRO A 72 -8.329 0.232 5.420 1.00 0.00 C ATOM 892 O PRO A 72 -8.285 1.093 6.300 1.00 0.00 O ATOM 893 CB PRO A 72 -7.328 -2.054 5.284 1.00 0.00 C ATOM 894 CG PRO A 72 -6.014 -2.567 5.749 1.00 0.00 C ATOM 895 CD PRO A 72 -5.401 -1.439 6.533 1.00 0.00 C ATOM 0 HA PRO A 72 -6.933 -0.311 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.102 -2.211 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.654 -2.565 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.136 -3.456 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.382 -2.850 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.717 -1.452 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.312 -1.487 6.529 1.00 0.00 H new ATOM 903 N MET A 73 -9.427 -0.063 4.734 1.00 0.00 N ATOM 904 CA MET A 73 -10.691 0.613 4.961 1.00 0.00 C ATOM 905 C MET A 73 -11.859 -0.273 4.537 1.00 0.00 C ATOM 906 O MET A 73 -12.141 -0.414 3.347 1.00 0.00 O ATOM 907 CB MET A 73 -10.714 1.909 4.163 1.00 0.00 C ATOM 908 CG MET A 73 -11.621 2.976 4.752 1.00 0.00 C ATOM 909 SD MET A 73 -13.320 2.851 4.158 1.00 0.00 S ATOM 910 CE MET A 73 -13.181 3.629 2.550 1.00 0.00 C ATOM 0 H MET A 73 -9.462 -0.777 4.007 1.00 0.00 H new ATOM 0 HA MET A 73 -10.791 0.829 6.025 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.700 2.303 4.098 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.037 1.692 3.145 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.613 2.894 5.839 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.225 3.961 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.154 3.627 2.059 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.838 4.656 2.671 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.466 3.077 1.940 1.00 0.00 H new ATOM 920 N MET A 74 -12.538 -0.868 5.513 1.00 0.00 N ATOM 921 CA MET A 74 -13.674 -1.738 5.226 1.00 0.00 C ATOM 922 C MET A 74 -14.860 -0.928 4.717 1.00 0.00 C ATOM 923 O MET A 74 -15.424 -0.109 5.444 1.00 0.00 O ATOM 924 CB MET A 74 -14.076 -2.522 6.479 1.00 0.00 C ATOM 925 CG MET A 74 -15.334 -3.358 6.296 1.00 0.00 C ATOM 926 SD MET A 74 -16.712 -2.771 7.302 1.00 0.00 S ATOM 927 CE MET A 74 -18.087 -3.039 6.186 1.00 0.00 C ATOM 0 H MET A 74 -12.323 -0.765 6.505 1.00 0.00 H new ATOM 0 HA MET A 74 -13.374 -2.441 4.449 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.254 -3.176 6.768 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.231 -1.823 7.301 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.625 -3.345 5.246 1.00 0.00 H new ATOM 0 HG3 MET A 74 -15.117 -4.395 6.554 1.00 0.00 H new ATOM 0 HE1 MET A 74 -18.526 -2.080 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.733 -3.545 5.288 1.00 0.00 H new ATOM 0 HE3 MET A 74 -18.839 -3.656 6.677 1.00 0.00 H new ATOM 937 N ARG A 75 -15.234 -1.160 3.462 1.00 0.00 N ATOM 938 CA ARG A 75 -16.355 -0.451 2.854 1.00 0.00 C ATOM 939 C ARG A 75 -17.681 -0.923 3.442 1.00 0.00 C ATOM 940 O ARG A 75 -18.091 -2.062 3.135 1.00 0.00 O ATOM 941 CB ARG A 75 -16.356 -0.657 1.339 1.00 0.00 C ATOM 942 CG ARG A 75 -15.179 -0.004 0.634 1.00 0.00 C ATOM 943 CD ARG A 75 -15.141 -0.376 -0.839 1.00 0.00 C ATOM 944 NE ARG A 75 -16.264 0.197 -1.576 1.00 0.00 N ATOM 945 CZ ARG A 75 -16.124 0.978 -2.642 1.00 0.00 C ATOM 946 NH1 ARG A 75 -14.914 1.282 -3.092 1.00 0.00 N ATOM 947 NH2 ARG A 75 -17.196 1.455 -3.261 1.00 0.00 N ATOM 948 OXT ARG A 75 -18.297 -0.150 4.205 1.00 0.00 O ATOM 0 H ARG A 75 -14.777 -1.833 2.847 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.239 0.611 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.348 -1.726 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.283 -0.257 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.247 1.079 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.249 -0.312 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.205 -0.029 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.157 -1.461 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 75 -17.209 -0.014 -1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.087 0.916 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.810 1.882 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.128 1.222 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.088 2.054 -4.079 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 5.649 8.733 12.925 1.00 0.00 N ATOM 964 CA ALA B 76 6.131 8.450 11.549 1.00 0.00 C ATOM 965 C ALA B 76 6.394 6.957 11.357 1.00 0.00 C ATOM 966 O ALA B 76 7.443 6.449 11.754 1.00 0.00 O ATOM 967 CB ALA B 76 7.391 9.249 11.254 1.00 0.00 C ATOM 0 HA ALA B 76 5.351 8.751 10.849 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.732 9.031 10.242 1.00 0.00 H new ATOM 0 HB2 ALA B 76 7.176 10.314 11.342 1.00 0.00 H new ATOM 0 HB3 ALA B 76 8.170 8.976 11.966 1.00 0.00 H new ATOM 975 N PRO B 77 5.438 6.234 10.745 1.00 0.00 N ATOM 976 CA PRO B 77 5.570 4.792 10.501 1.00 0.00 C ATOM 977 C PRO B 77 6.800 4.455 9.663 1.00 0.00 C ATOM 978 O PRO B 77 6.974 4.975 8.561 1.00 0.00 O ATOM 979 CB PRO B 77 4.288 4.433 9.741 1.00 0.00 C ATOM 980 CG PRO B 77 3.327 5.526 10.056 1.00 0.00 C ATOM 981 CD PRO B 77 4.158 6.763 10.243 1.00 0.00 C ATOM 0 HA PRO B 77 5.697 4.235 11.429 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.472 4.367 8.669 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.901 3.465 10.058 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.607 5.658 9.249 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.758 5.298 10.957 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.286 7.308 9.308 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.701 7.452 10.953 1.00 0.00 H new ATOM 989 N SER B 78 7.650 3.580 10.193 1.00 0.00 N ATOM 990 CA SER B 78 8.865 3.172 9.495 1.00 0.00 C ATOM 991 C SER B 78 8.663 1.853 8.767 1.00 0.00 C ATOM 992 O SER B 78 8.260 0.855 9.364 1.00 0.00 O ATOM 993 CB SER B 78 10.027 3.054 10.482 1.00 0.00 C ATOM 994 OG SER B 78 11.271 3.256 9.835 1.00 0.00 O ATOM 0 H SER B 78 7.520 3.140 11.104 1.00 0.00 H new ATOM 0 HA SER B 78 9.101 3.936 8.754 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.906 3.787 11.280 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.013 2.069 10.949 1.00 0.00 H new ATOM 0 HG SER B 78 11.997 3.177 10.489 1.00 0.00 H new ATOM 1000 N ILE B 79 8.943 1.860 7.469 1.00 0.00 N ATOM 1001 CA ILE B 79 8.791 0.669 6.647 1.00 0.00 C ATOM 1002 C ILE B 79 10.138 0.192 6.110 1.00 0.00 C ATOM 1003 O ILE B 79 10.957 0.988 5.649 1.00 0.00 O ATOM 1004 CB ILE B 79 7.809 0.929 5.480 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.536 0.100 5.676 1.00 0.00 C ATOM 1006 CG2 ILE B 79 8.447 0.635 4.124 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.692 -1.367 5.324 1.00 0.00 C ATOM 0 H ILE B 79 9.277 2.680 6.963 1.00 0.00 H new ATOM 0 HA ILE B 79 8.380 -0.118 7.279 1.00 0.00 H new ATOM 0 HB ILE B 79 7.549 1.988 5.487 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.219 0.181 6.716 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.740 0.526 5.066 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.724 0.830 3.332 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.319 1.275 3.986 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.754 -0.410 4.085 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.747 -1.884 5.490 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.978 -1.461 4.276 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.464 -1.812 5.952 1.00 0.00 H new ATOM 1019 N ASP B 80 10.353 -1.116 6.174 1.00 0.00 N ATOM 1020 CA ASP B 80 11.593 -1.716 5.691 1.00 0.00 C ATOM 1021 C ASP B 80 11.381 -2.357 4.323 1.00 0.00 C ATOM 1022 O ASP B 80 10.584 -3.283 4.176 1.00 0.00 O ATOM 1023 CB ASP B 80 12.103 -2.760 6.688 1.00 0.00 C ATOM 1024 CG ASP B 80 13.600 -2.668 6.906 1.00 0.00 C ATOM 1025 OD1 ASP B 80 14.354 -3.272 6.114 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.019 -1.992 7.869 1.00 0.00 O ATOM 0 H ASP B 80 9.684 -1.784 6.556 1.00 0.00 H new ATOM 0 HA ASP B 80 12.340 -0.928 5.594 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.591 -2.629 7.641 1.00 0.00 H new ATOM 0 HB3 ASP B 80 11.852 -3.757 6.326 1.00 0.00 H new ATOM 1031 N ARG B 81 12.095 -1.850 3.322 1.00 0.00 N ATOM 1032 CA ARG B 81 11.985 -2.363 1.960 1.00 0.00 C ATOM 1033 C ARG B 81 12.540 -3.781 1.851 1.00 0.00 C ATOM 1034 O ARG B 81 12.447 -4.412 0.799 1.00 0.00 O ATOM 1035 CB ARG B 81 12.719 -1.439 0.986 1.00 0.00 C ATOM 1036 CG ARG B 81 12.269 0.010 1.066 1.00 0.00 C ATOM 1037 CD ARG B 81 11.954 0.576 -0.311 1.00 0.00 C ATOM 1038 NE ARG B 81 12.768 -0.041 -1.355 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.895 0.488 -1.822 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.331 1.652 -1.354 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.586 -0.144 -2.760 1.00 0.00 N ATOM 0 H ARG B 81 12.758 -1.082 3.429 1.00 0.00 H new ATOM 0 HA ARG B 81 10.927 -2.394 1.701 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.789 -1.490 1.186 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.567 -1.802 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.386 0.083 1.701 1.00 0.00 H new ATOM 0 HG3 ARG B 81 13.049 0.608 1.536 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.899 0.420 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG B 81 12.123 1.653 -0.308 1.00 0.00 H new ATOM 0 HE ARG B 81 12.454 -0.928 -1.748 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.801 2.143 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.196 2.055 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.253 -1.037 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.450 0.262 -3.118 1.00 0.00 H new ATOM 1055 N SER B 82 13.116 -4.277 2.940 1.00 0.00 N ATOM 1056 CA SER B 82 13.683 -5.620 2.961 1.00 0.00 C ATOM 1057 C SER B 82 12.604 -6.661 3.233 1.00 0.00 C ATOM 1058 O SER B 82 12.896 -7.849 3.376 1.00 0.00 O ATOM 1059 CB SER B 82 14.782 -5.717 4.022 1.00 0.00 C ATOM 1060 OG SER B 82 15.842 -4.819 3.744 1.00 0.00 O ATOM 0 H SER B 82 13.203 -3.769 3.820 1.00 0.00 H new ATOM 0 HA SER B 82 14.116 -5.820 1.981 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.364 -5.497 5.004 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.166 -6.736 4.060 1.00 0.00 H new ATOM 0 HG SER B 82 16.530 -4.900 4.438 1.00 0.00 H new ATOM 1066 N THR B 83 11.357 -6.207 3.319 1.00 0.00 N ATOM 1067 CA THR B 83 10.238 -7.101 3.592 1.00 0.00 C ATOM 1068 C THR B 83 9.201 -7.070 2.471 1.00 0.00 C ATOM 1069 O THR B 83 8.042 -7.430 2.679 1.00 0.00 O ATOM 1070 CB THR B 83 9.551 -6.734 4.918 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.569 -5.717 4.695 1.00 0.00 O ATOM 1072 CG2 THR B 83 10.567 -6.247 5.939 1.00 0.00 C ATOM 0 H THR B 83 11.097 -5.227 3.204 1.00 0.00 H new ATOM 0 HA THR B 83 10.651 -8.107 3.660 1.00 0.00 H new ATOM 0 HB THR B 83 9.067 -7.629 5.309 1.00 0.00 H new ATOM 0 HG1 THR B 83 7.831 -6.085 4.165 1.00 0.00 H new ATOM 0 HG21 THR B 83 10.056 -5.994 6.868 1.00 0.00 H new ATOM 0 HG22 THR B 83 11.297 -7.033 6.129 1.00 0.00 H new ATOM 0 HG23 THR B 83 11.077 -5.364 5.553 1.00 0.00 H new ATOM 1080 N LYS B 84 9.622 -6.644 1.283 1.00 0.00 N ATOM 1081 CA LYS B 84 8.722 -6.576 0.134 1.00 0.00 C ATOM 1082 C LYS B 84 8.139 -7.954 -0.180 1.00 0.00 C ATOM 1083 O LYS B 84 8.740 -8.974 0.155 1.00 0.00 O ATOM 1084 CB LYS B 84 9.463 -6.028 -1.087 1.00 0.00 C ATOM 1085 CG LYS B 84 9.319 -4.523 -1.258 1.00 0.00 C ATOM 1086 CD LYS B 84 10.648 -3.867 -1.593 1.00 0.00 C ATOM 1087 CE LYS B 84 11.108 -4.225 -2.995 1.00 0.00 C ATOM 1088 NZ LYS B 84 12.584 -4.103 -3.145 1.00 0.00 N ATOM 0 H LYS B 84 10.577 -6.342 1.091 1.00 0.00 H new ATOM 0 HA LYS B 84 7.901 -5.903 0.382 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.521 -6.277 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.090 -6.525 -1.982 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.600 -4.314 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.919 -4.089 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.553 -2.785 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.402 -4.180 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.803 -5.245 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.615 -3.573 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.802 -3.553 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 12.979 -3.620 -2.313 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 13.004 -5.051 -3.226 1.00 0.00 H new ATOM 1102 N PRO B 85 6.954 -8.007 -0.826 1.00 0.00 N ATOM 1103 CA PRO B 85 6.300 -9.273 -1.174 1.00 0.00 C ATOM 1104 C PRO B 85 7.266 -10.280 -1.787 1.00 0.00 C ATOM 1105 O PRO B 85 7.632 -10.174 -2.958 1.00 0.00 O ATOM 1106 CB PRO B 85 5.246 -8.853 -2.196 1.00 0.00 C ATOM 1107 CG PRO B 85 4.898 -7.454 -1.822 1.00 0.00 C ATOM 1108 CD PRO B 85 6.156 -6.841 -1.262 1.00 0.00 C ATOM 0 HA PRO B 85 5.891 -9.775 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.636 -8.906 -3.213 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.372 -9.504 -2.155 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.546 -6.896 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.095 -7.437 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.684 -6.254 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO B 85 5.938 -6.172 -0.430 1.00 0.00 H new ATOM 1116 N ALA B 86 7.672 -11.258 -0.986 1.00 0.00 N ATOM 1117 CA ALA B 86 8.596 -12.289 -1.442 1.00 0.00 C ATOM 1118 C ALA B 86 8.123 -13.675 -1.018 1.00 0.00 C ATOM 1119 O ALA B 86 8.926 -14.629 -1.114 1.00 0.00 O ATOM 1120 CB ALA B 86 9.993 -12.019 -0.905 1.00 0.00 C ATOM 1121 OXT ALA B 86 6.955 -13.798 -0.592 1.00 0.00 O ATOM 0 H ALA B 86 7.375 -11.359 -0.015 1.00 0.00 H new ATOM 0 HA ALA B 86 8.625 -12.261 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.673 -12.796 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.338 -11.049 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA B 86 9.970 -12.018 0.185 1.00 0.00 H new TER 1127 ALA B 86