USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 17 HIS :FLIP no HE2:sc= 0.604 F(o=-0.7!,f=1.9) USER MOD Set 1.2: A 84 TYR OH : rot 17:sc= 1.26 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.016 F(o=-1.4!,f=-0.016) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 30:sc= -1.87! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0.99 (180deg=0.304) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 23 SER OG : rot 180:sc= 0.028 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 74:sc= 0.679 USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.09) USER MOD Single : A 33 MET CE :methyl 143:sc= -0.46 (180deg=-2.33) USER MOD Single : A 48 GLN : amide:sc= 0.995 K(o=0.99,f=-0.59) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.352 K(o=0.35,f=-0.81) USER MOD Single : A 68 MET CE :methyl 144:sc= -3.06! (180deg=-5.23!) USER MOD Single : A 72 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 78 CYS SG : rot 79:sc= 0.359 USER MOD Single : A 88 THR OG1 : rot -95:sc= 0.355 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 103 MET CE :methyl -139:sc= -0.238 (180deg=-3.08!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N ASN A 5 -0.870 -3.187 14.902 1.00 0.00 N ATOM 54 CA ASN A 5 -1.745 -2.615 13.888 1.00 0.00 C ATOM 55 C ASN A 5 -0.951 -1.748 12.920 1.00 0.00 C ATOM 56 O ASN A 5 -1.521 -0.939 12.183 1.00 0.00 O ATOM 57 CB ASN A 5 -2.865 -1.793 14.534 1.00 0.00 C ATOM 58 CG ASN A 5 -3.833 -2.642 15.342 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.981 -3.905 14.969 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -4.437 -2.166 16.302 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.196 -3.437 13.332 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.425 -1.036 15.183 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.416 -1.264 13.756 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.297 -1.189 16.559 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.078 -2.748 16.841 1.00 0.00 H new ATOM 67 N SER A 6 0.361 -1.926 12.919 1.00 0.00 N ATOM 68 CA SER A 6 1.228 -1.201 12.007 1.00 0.00 C ATOM 69 C SER A 6 1.030 -1.707 10.581 1.00 0.00 C ATOM 70 O SER A 6 0.735 -2.886 10.364 1.00 0.00 O ATOM 71 CB SER A 6 2.684 -1.350 12.445 1.00 0.00 C ATOM 72 OG SER A 6 2.962 -2.684 12.839 1.00 0.00 O ATOM 0 H SER A 6 0.849 -2.569 13.543 1.00 0.00 H new ATOM 0 HA SER A 6 0.970 -0.142 12.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.345 -1.063 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.890 -0.672 13.273 1.00 0.00 H new ATOM 0 HG SER A 6 3.900 -2.755 13.113 1.00 0.00 H new ATOM 78 N PHE A 7 1.176 -0.811 9.615 1.00 0.00 N ATOM 79 CA PHE A 7 0.921 -1.144 8.224 1.00 0.00 C ATOM 80 C PHE A 7 1.905 -2.200 7.735 1.00 0.00 C ATOM 81 O PHE A 7 1.523 -3.121 7.018 1.00 0.00 O ATOM 82 CB PHE A 7 1.007 0.108 7.351 1.00 0.00 C ATOM 83 CG PHE A 7 0.282 -0.028 6.043 1.00 0.00 C ATOM 84 CD1 PHE A 7 0.912 -0.560 4.932 1.00 0.00 C ATOM 85 CD2 PHE A 7 -1.038 0.377 5.930 1.00 0.00 C ATOM 86 CE1 PHE A 7 0.238 -0.685 3.733 1.00 0.00 C ATOM 87 CE2 PHE A 7 -1.715 0.254 4.733 1.00 0.00 C ATOM 88 CZ PHE A 7 -1.077 -0.276 3.634 1.00 0.00 C ATOM 0 H PHE A 7 1.470 0.153 9.771 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.087 -1.552 8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.595 0.954 7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.055 0.335 7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.941 -0.881 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.544 0.794 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.740 -1.103 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.744 0.573 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.604 -0.372 2.696 1.00 0.00 H new ATOM 98 N SER A 8 3.165 -2.065 8.138 1.00 0.00 N ATOM 99 CA SER A 8 4.201 -3.018 7.758 1.00 0.00 C ATOM 100 C SER A 8 3.838 -4.437 8.196 1.00 0.00 C ATOM 101 O SER A 8 3.953 -5.385 7.416 1.00 0.00 O ATOM 102 CB SER A 8 5.540 -2.602 8.370 1.00 0.00 C ATOM 103 OG SER A 8 5.412 -2.345 9.761 1.00 0.00 O ATOM 0 H SER A 8 3.493 -1.302 8.730 1.00 0.00 H new ATOM 0 HA SER A 8 4.284 -3.015 6.671 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.276 -3.389 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.912 -1.710 7.866 1.00 0.00 H new ATOM 0 HG SER A 8 6.283 -2.083 10.127 1.00 0.00 H new ATOM 109 N ALA A 9 3.379 -4.568 9.437 1.00 0.00 N ATOM 110 CA ALA A 9 3.032 -5.869 10.002 1.00 0.00 C ATOM 111 C ALA A 9 1.879 -6.517 9.244 1.00 0.00 C ATOM 112 O ALA A 9 1.962 -7.676 8.836 1.00 0.00 O ATOM 113 CB ALA A 9 2.679 -5.722 11.474 1.00 0.00 C ATOM 0 H ALA A 9 3.238 -3.784 10.074 1.00 0.00 H new ATOM 0 HA ALA A 9 3.901 -6.520 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.422 -6.698 11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.533 -5.314 12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.828 -5.048 11.579 1.00 0.00 H new ATOM 119 N ILE A 10 0.806 -5.761 9.048 1.00 0.00 N ATOM 120 CA ILE A 10 -0.377 -6.282 8.376 1.00 0.00 C ATOM 121 C ILE A 10 -0.090 -6.548 6.900 1.00 0.00 C ATOM 122 O ILE A 10 -0.567 -7.538 6.336 1.00 0.00 O ATOM 123 CB ILE A 10 -1.580 -5.327 8.530 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.911 -5.161 10.018 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.793 -5.850 7.764 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.100 -4.268 10.287 1.00 0.00 C ATOM 0 H ILE A 10 0.731 -4.788 9.344 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.637 -7.227 8.854 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.317 -4.356 8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.103 -6.144 10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.040 -4.753 10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.627 -5.160 7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.546 -5.934 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.073 -6.830 8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.269 -4.201 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.905 -3.273 9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.985 -4.685 9.806 1.00 0.00 H new ATOM 138 N TYR A 11 0.707 -5.679 6.283 1.00 0.00 N ATOM 139 CA TYR A 11 1.145 -5.892 4.908 1.00 0.00 C ATOM 140 C TYR A 11 1.900 -7.208 4.796 1.00 0.00 C ATOM 141 O TYR A 11 1.747 -7.930 3.821 1.00 0.00 O ATOM 142 CB TYR A 11 2.038 -4.745 4.424 1.00 0.00 C ATOM 143 CG TYR A 11 2.620 -4.987 3.048 1.00 0.00 C ATOM 144 CD1 TYR A 11 1.851 -4.803 1.907 1.00 0.00 C ATOM 145 CD2 TYR A 11 3.932 -5.423 2.891 1.00 0.00 C ATOM 146 CE1 TYR A 11 2.371 -5.044 0.651 1.00 0.00 C ATOM 147 CE2 TYR A 11 4.455 -5.670 1.637 1.00 0.00 C ATOM 148 CZ TYR A 11 3.670 -5.477 0.521 1.00 0.00 C ATOM 149 OH TYR A 11 4.183 -5.728 -0.731 1.00 0.00 O ATOM 0 H TYR A 11 1.061 -4.824 6.712 1.00 0.00 H new ATOM 0 HA TYR A 11 0.257 -5.926 4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.458 -3.822 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.851 -4.600 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.829 -4.466 2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.551 -5.571 3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.760 -4.893 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.474 -6.013 1.532 1.00 0.00 H new ATOM 0 HH TYR A 11 3.748 -5.143 -1.386 1.00 0.00 H new ATOM 159 N LYS A 12 2.704 -7.520 5.806 1.00 0.00 N ATOM 160 CA LYS A 12 3.501 -8.738 5.792 1.00 0.00 C ATOM 161 C LYS A 12 2.609 -9.972 5.878 1.00 0.00 C ATOM 162 O LYS A 12 2.850 -10.966 5.196 1.00 0.00 O ATOM 163 CB LYS A 12 4.510 -8.739 6.937 1.00 0.00 C ATOM 164 CG LYS A 12 5.523 -9.865 6.843 1.00 0.00 C ATOM 165 CD LYS A 12 6.534 -9.799 7.972 1.00 0.00 C ATOM 166 CE LYS A 12 7.633 -10.834 7.799 1.00 0.00 C ATOM 167 NZ LYS A 12 8.629 -10.763 8.900 1.00 0.00 N ATOM 0 H LYS A 12 2.820 -6.947 6.642 1.00 0.00 H new ATOM 0 HA LYS A 12 4.046 -8.769 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.037 -7.785 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.975 -8.819 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.006 -10.824 6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.041 -9.811 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.974 -8.803 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.028 -9.960 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.193 -11.831 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.134 -10.678 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.364 -11.483 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.066 -9.819 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.155 -10.937 9.809 1.00 0.00 H new ATOM 181 N GLU A 13 1.573 -9.904 6.708 1.00 0.00 N ATOM 182 CA GLU A 13 0.623 -11.004 6.820 1.00 0.00 C ATOM 183 C GLU A 13 -0.105 -11.194 5.495 1.00 0.00 C ATOM 184 O GLU A 13 -0.165 -12.300 4.955 1.00 0.00 O ATOM 185 CB GLU A 13 -0.390 -10.739 7.936 1.00 0.00 C ATOM 186 CG GLU A 13 -1.323 -11.911 8.194 1.00 0.00 C ATOM 187 CD GLU A 13 -2.376 -11.611 9.240 1.00 0.00 C ATOM 188 OE1 GLU A 13 -2.006 -11.293 10.387 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.582 -11.702 8.922 1.00 0.00 O ATOM 0 H GLU A 13 1.371 -9.105 7.309 1.00 0.00 H new ATOM 0 HA GLU A 13 1.175 -11.912 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.146 -10.502 8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.983 -9.862 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.814 -12.189 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.736 -12.772 8.514 1.00 0.00 H new ATOM 196 N TRP A 14 -0.636 -10.097 4.973 1.00 0.00 N ATOM 197 CA TRP A 14 -1.306 -10.095 3.680 1.00 0.00 C ATOM 198 C TRP A 14 -0.360 -10.604 2.592 1.00 0.00 C ATOM 199 O TRP A 14 -0.739 -11.431 1.762 1.00 0.00 O ATOM 200 CB TRP A 14 -1.796 -8.672 3.375 1.00 0.00 C ATOM 201 CG TRP A 14 -2.304 -8.466 1.981 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.561 -8.716 1.510 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.562 -7.941 0.879 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.637 -8.381 0.179 1.00 0.00 N ATOM 205 CE2 TRP A 14 -2.422 -7.904 -0.231 1.00 0.00 C ATOM 206 CE3 TRP A 14 -0.248 -7.501 0.727 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -2.010 -7.441 -1.478 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.162 -7.043 -0.506 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.716 -7.014 -1.597 1.00 0.00 C ATOM 0 H TRP A 14 -0.615 -9.186 5.432 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.165 -10.765 3.705 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.590 -8.419 4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.977 -7.975 3.555 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.375 -9.117 2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.466 -8.473 -0.408 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.437 -7.519 1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.687 -7.420 -2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.178 -6.700 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -0.365 -6.648 -2.550 1.00 0.00 H new ATOM 220 N TYR A 15 0.878 -10.123 2.631 1.00 0.00 N ATOM 221 CA TYR A 15 1.905 -10.540 1.686 1.00 0.00 C ATOM 222 C TYR A 15 2.188 -12.032 1.793 1.00 0.00 C ATOM 223 O TYR A 15 2.258 -12.715 0.782 1.00 0.00 O ATOM 224 CB TYR A 15 3.202 -9.758 1.911 1.00 0.00 C ATOM 225 CG TYR A 15 4.376 -10.327 1.153 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.407 -10.305 -0.236 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.445 -10.900 1.827 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.473 -10.840 -0.929 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.515 -11.435 1.140 1.00 0.00 C ATOM 230 CZ TYR A 15 6.525 -11.402 -0.238 1.00 0.00 C ATOM 231 OH TYR A 15 7.592 -11.927 -0.931 1.00 0.00 O ATOM 0 H TYR A 15 1.196 -9.437 3.315 1.00 0.00 H new ATOM 0 HA TYR A 15 1.526 -10.329 0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.051 -8.721 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.434 -9.750 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.585 -9.863 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.439 -10.928 2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.483 -10.819 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.340 -11.877 1.679 1.00 0.00 H new ATOM 0 HH TYR A 15 8.250 -12.284 -0.298 1.00 0.00 H new ATOM 241 N GLU A 16 2.357 -12.530 3.014 1.00 0.00 N ATOM 242 CA GLU A 16 2.698 -13.933 3.220 1.00 0.00 C ATOM 243 C GLU A 16 1.622 -14.841 2.630 1.00 0.00 C ATOM 244 O GLU A 16 1.927 -15.850 1.996 1.00 0.00 O ATOM 245 CB GLU A 16 2.883 -14.242 4.705 1.00 0.00 C ATOM 246 CG GLU A 16 3.568 -15.575 4.954 1.00 0.00 C ATOM 247 CD GLU A 16 3.614 -15.953 6.417 1.00 0.00 C ATOM 248 OE1 GLU A 16 4.598 -15.592 7.097 1.00 0.00 O ATOM 249 OE2 GLU A 16 2.671 -16.621 6.892 1.00 0.00 O ATOM 0 H GLU A 16 2.264 -11.986 3.872 1.00 0.00 H new ATOM 0 HA GLU A 16 3.641 -14.123 2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.470 -13.447 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.909 -14.244 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.046 -16.355 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.585 -15.533 4.563 1.00 0.00 H new ATOM 256 N HIS A 17 0.365 -14.462 2.826 1.00 0.00 N ATOM 257 CA HIS A 17 -0.749 -15.222 2.273 1.00 0.00 C ATOM 258 C HIS A 17 -0.759 -15.129 0.747 1.00 0.00 C ATOM 259 O HIS A 17 -0.973 -16.124 0.056 1.00 0.00 O ATOM 260 CB HIS A 17 -2.087 -14.729 2.842 1.00 0.00 C ATOM 261 CG HIS A 17 -2.336 -15.141 4.262 1.00 0.00 C ATOM 262 ND1 HIS A 17 -1.950 -14.578 5.432 1.00 0.00 N flip ATOM 263 CD2 HIS A 17 -3.069 -16.256 4.606 1.00 0.00 C flip ATOM 264 CE1 HIS A 17 -2.455 -15.354 6.443 1.00 0.00 C flip ATOM 265 NE2 HIS A 17 -3.125 -16.358 5.920 1.00 0.00 N flip ATOM 0 H HIS A 17 0.092 -13.637 3.361 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.618 -16.265 2.560 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.118 -13.641 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.897 -15.107 2.218 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.388 -13.734 5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.527 -16.941 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.324 -15.171 7.499 1.00 0.00 H new ATOM 274 N LYS A 18 -0.510 -13.933 0.225 1.00 0.00 N ATOM 275 CA LYS A 18 -0.456 -13.720 -1.219 1.00 0.00 C ATOM 276 C LYS A 18 0.767 -14.397 -1.828 1.00 0.00 C ATOM 277 O LYS A 18 0.760 -14.782 -2.994 1.00 0.00 O ATOM 278 CB LYS A 18 -0.434 -12.226 -1.538 1.00 0.00 C ATOM 279 CG LYS A 18 -1.790 -11.548 -1.425 1.00 0.00 C ATOM 280 CD LYS A 18 -2.773 -12.101 -2.447 1.00 0.00 C ATOM 281 CE LYS A 18 -3.962 -11.175 -2.633 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.779 -11.050 -1.399 1.00 0.00 N ATOM 0 H LYS A 18 -0.342 -13.094 0.780 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.350 -14.165 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.265 -11.731 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.053 -12.087 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.188 -11.691 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.675 -10.474 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.266 -12.241 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.122 -13.082 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.608 -10.189 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.587 -11.549 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.439 -10.253 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.316 -11.928 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.154 -10.882 -0.585 1.00 0.00 H new ATOM 296 N LYS A 19 1.810 -14.544 -1.025 1.00 0.00 N ATOM 297 CA LYS A 19 3.042 -15.193 -1.452 1.00 0.00 C ATOM 298 C LYS A 19 2.790 -16.665 -1.759 1.00 0.00 C ATOM 299 O LYS A 19 3.522 -17.288 -2.525 1.00 0.00 O ATOM 300 CB LYS A 19 4.109 -15.041 -0.362 1.00 0.00 C ATOM 301 CG LYS A 19 5.422 -15.742 -0.663 1.00 0.00 C ATOM 302 CD LYS A 19 6.445 -15.514 0.440 1.00 0.00 C ATOM 303 CE LYS A 19 5.930 -15.973 1.798 1.00 0.00 C ATOM 304 NZ LYS A 19 6.956 -15.816 2.864 1.00 0.00 N ATOM 0 H LYS A 19 1.827 -14.217 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 19 3.400 -14.715 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.305 -13.980 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.711 -15.430 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.246 -16.811 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.820 -15.378 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.363 -16.050 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.698 -14.455 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.042 -15.399 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.627 -17.018 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.566 -16.140 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.794 -16.384 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.227 -14.815 2.941 1.00 0.00 H new ATOM 318 N GLN A 20 1.738 -17.208 -1.166 1.00 0.00 N ATOM 319 CA GLN A 20 1.359 -18.591 -1.406 1.00 0.00 C ATOM 320 C GLN A 20 0.583 -18.702 -2.713 1.00 0.00 C ATOM 321 O GLN A 20 0.448 -19.787 -3.282 1.00 0.00 O ATOM 322 CB GLN A 20 0.516 -19.115 -0.245 1.00 0.00 C ATOM 323 CG GLN A 20 1.219 -19.021 1.098 1.00 0.00 C ATOM 324 CD GLN A 20 0.357 -19.492 2.251 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.870 -19.378 2.221 1.00 0.00 O ATOM 326 NE2 GLN A 20 0.996 -20.027 3.276 1.00 0.00 N ATOM 0 H GLN A 20 1.131 -16.711 -0.514 1.00 0.00 H new ATOM 0 HA GLN A 20 2.263 -19.195 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.417 -18.553 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.252 -20.155 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.131 -19.616 1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.518 -17.988 1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.013 -20.102 3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.472 -20.365 4.083 1.00 0.00 H new ATOM 335 N VAL A 21 0.088 -17.563 -3.185 1.00 0.00 N ATOM 336 CA VAL A 21 -0.690 -17.504 -4.412 1.00 0.00 C ATOM 337 C VAL A 21 0.205 -17.179 -5.601 1.00 0.00 C ATOM 338 O VAL A 21 0.191 -17.873 -6.617 1.00 0.00 O ATOM 339 CB VAL A 21 -1.808 -16.441 -4.316 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.655 -16.425 -5.580 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.676 -16.683 -3.089 1.00 0.00 C ATOM 0 H VAL A 21 0.215 -16.660 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.145 -18.484 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.336 -15.464 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.434 -15.668 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.024 -16.192 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.114 -17.403 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.457 -15.924 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.133 -17.670 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.060 -16.629 -2.191 1.00 0.00 H new ATOM 351 N TRP A 22 0.985 -16.121 -5.463 1.00 0.00 N ATOM 352 CA TRP A 22 1.861 -15.675 -6.536 1.00 0.00 C ATOM 353 C TRP A 22 3.148 -16.488 -6.549 1.00 0.00 C ATOM 354 O TRP A 22 3.407 -17.279 -5.642 1.00 0.00 O ATOM 355 CB TRP A 22 2.219 -14.194 -6.377 1.00 0.00 C ATOM 356 CG TRP A 22 1.046 -13.275 -6.214 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.168 -13.352 -6.837 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.993 -12.116 -5.380 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.976 -12.317 -6.425 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.282 -11.543 -5.533 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.904 -11.513 -4.512 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.668 -10.390 -4.851 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.524 -10.371 -3.837 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.247 -9.819 -4.009 1.00 0.00 C ATOM 0 H TRP A 22 1.031 -15.553 -4.617 1.00 0.00 H new ATOM 0 HA TRP A 22 1.324 -15.817 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.871 -14.084 -5.511 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.791 -13.878 -7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.452 -14.113 -7.548 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.934 -12.153 -6.733 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.889 -11.933 -4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.652 -9.964 -4.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.222 -9.894 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.020 -8.925 -3.466 1.00 0.00 H new ATOM 375 N SER A 23 3.947 -16.289 -7.584 1.00 0.00 N ATOM 376 CA SER A 23 5.269 -16.887 -7.653 1.00 0.00 C ATOM 377 C SER A 23 6.224 -16.125 -6.735 1.00 0.00 C ATOM 378 O SER A 23 6.127 -14.903 -6.619 1.00 0.00 O ATOM 379 CB SER A 23 5.771 -16.874 -9.098 1.00 0.00 C ATOM 380 OG SER A 23 5.572 -15.601 -9.692 1.00 0.00 O ATOM 0 H SER A 23 3.701 -15.715 -8.391 1.00 0.00 H new ATOM 0 HA SER A 23 5.221 -17.923 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.831 -17.129 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.247 -17.635 -9.676 1.00 0.00 H new ATOM 0 HG SER A 23 5.902 -15.615 -10.615 1.00 0.00 H new ATOM 386 N VAL A 24 7.135 -16.842 -6.081 1.00 0.00 N ATOM 387 CA VAL A 24 8.042 -16.232 -5.111 1.00 0.00 C ATOM 388 C VAL A 24 8.862 -15.096 -5.736 1.00 0.00 C ATOM 389 O VAL A 24 9.103 -14.074 -5.093 1.00 0.00 O ATOM 390 CB VAL A 24 8.981 -17.284 -4.468 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.893 -17.926 -5.501 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.794 -16.667 -3.340 1.00 0.00 C ATOM 0 H VAL A 24 7.265 -17.846 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 24 7.419 -15.806 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 24 8.353 -18.070 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.537 -18.658 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.289 -18.423 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.508 -17.158 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.445 -17.425 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.400 -15.850 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.120 -16.283 -2.574 1.00 0.00 H new ATOM 402 N GLY A 25 9.257 -15.261 -6.995 1.00 0.00 N ATOM 403 CA GLY A 25 10.017 -14.230 -7.676 1.00 0.00 C ATOM 404 C GLY A 25 9.217 -12.953 -7.846 1.00 0.00 C ATOM 405 O GLY A 25 9.724 -11.851 -7.618 1.00 0.00 O ATOM 0 H GLY A 25 9.064 -16.091 -7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.925 -14.017 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.328 -14.596 -8.654 1.00 0.00 H new ATOM 409 N TYR A 26 7.957 -13.105 -8.231 1.00 0.00 N ATOM 410 CA TYR A 26 7.068 -11.966 -8.406 1.00 0.00 C ATOM 411 C TYR A 26 6.706 -11.375 -7.049 1.00 0.00 C ATOM 412 O TYR A 26 6.656 -10.156 -6.881 1.00 0.00 O ATOM 413 CB TYR A 26 5.804 -12.395 -9.159 1.00 0.00 C ATOM 414 CG TYR A 26 4.859 -11.257 -9.480 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.093 -10.420 -10.563 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.731 -11.024 -8.703 1.00 0.00 C ATOM 417 CE1 TYR A 26 4.233 -9.383 -10.862 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.863 -9.991 -8.997 1.00 0.00 C ATOM 419 CZ TYR A 26 3.119 -9.172 -10.078 1.00 0.00 C ATOM 420 OH TYR A 26 2.256 -8.143 -10.380 1.00 0.00 O ATOM 0 H TYR A 26 7.527 -14.009 -8.428 1.00 0.00 H new ATOM 0 HA TYR A 26 7.579 -11.203 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.096 -12.883 -10.089 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.273 -13.137 -8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.963 -10.583 -11.182 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.530 -11.662 -7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.432 -8.740 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.989 -9.825 -8.385 1.00 0.00 H new ATOM 0 HH TYR A 26 1.521 -8.131 -9.731 1.00 0.00 H new ATOM 430 N ALA A 27 6.472 -12.253 -6.081 1.00 0.00 N ATOM 431 CA ALA A 27 6.116 -11.838 -4.733 1.00 0.00 C ATOM 432 C ALA A 27 7.218 -10.986 -4.109 1.00 0.00 C ATOM 433 O ALA A 27 6.942 -9.931 -3.535 1.00 0.00 O ATOM 434 CB ALA A 27 5.825 -13.055 -3.868 1.00 0.00 C ATOM 0 H ALA A 27 6.523 -13.264 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 27 5.216 -11.226 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.560 -12.731 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.996 -13.617 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.710 -13.690 -3.823 1.00 0.00 H new ATOM 440 N THR A 28 8.461 -11.439 -4.227 1.00 0.00 N ATOM 441 CA THR A 28 9.599 -10.697 -3.702 1.00 0.00 C ATOM 442 C THR A 28 9.701 -9.314 -4.346 1.00 0.00 C ATOM 443 O THR A 28 9.895 -8.315 -3.652 1.00 0.00 O ATOM 444 CB THR A 28 10.921 -11.468 -3.909 1.00 0.00 C ATOM 445 OG1 THR A 28 10.865 -12.734 -3.234 1.00 0.00 O ATOM 446 CG2 THR A 28 12.108 -10.667 -3.386 1.00 0.00 C ATOM 0 H THR A 28 8.706 -12.318 -4.683 1.00 0.00 H new ATOM 0 HA THR A 28 9.434 -10.575 -2.632 1.00 0.00 H new ATOM 0 HB THR A 28 11.052 -11.629 -4.979 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.288 -13.347 -3.736 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.026 -11.232 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.170 -9.718 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.978 -10.477 -2.321 1.00 0.00 H new ATOM 454 N GLU A 29 9.541 -9.256 -5.665 1.00 0.00 N ATOM 455 CA GLU A 29 9.626 -7.989 -6.387 1.00 0.00 C ATOM 456 C GLU A 29 8.534 -7.033 -5.920 1.00 0.00 C ATOM 457 O GLU A 29 8.789 -5.851 -5.676 1.00 0.00 O ATOM 458 CB GLU A 29 9.500 -8.212 -7.897 1.00 0.00 C ATOM 459 CG GLU A 29 9.674 -6.936 -8.704 1.00 0.00 C ATOM 460 CD GLU A 29 9.392 -7.123 -10.177 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.221 -7.740 -10.876 1.00 0.00 O ATOM 462 OE2 GLU A 29 8.347 -6.637 -10.650 1.00 0.00 O ATOM 0 H GLU A 29 9.353 -10.067 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 29 10.601 -7.550 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.246 -8.940 -8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.522 -8.642 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.009 -6.169 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.693 -6.570 -8.579 1.00 0.00 H new ATOM 469 N LEU A 30 7.324 -7.561 -5.791 1.00 0.00 N ATOM 470 CA LEU A 30 6.174 -6.773 -5.372 1.00 0.00 C ATOM 471 C LEU A 30 6.374 -6.237 -3.956 1.00 0.00 C ATOM 472 O LEU A 30 6.127 -5.056 -3.688 1.00 0.00 O ATOM 473 CB LEU A 30 4.906 -7.635 -5.463 1.00 0.00 C ATOM 474 CG LEU A 30 3.589 -6.949 -5.084 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.457 -7.472 -5.954 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.263 -7.187 -3.617 1.00 0.00 C ATOM 0 H LEU A 30 7.113 -8.542 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 30 6.065 -5.914 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.817 -8.006 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.037 -8.504 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 30 3.701 -5.877 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.526 -6.978 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.678 -7.266 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.354 -8.547 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.324 -6.692 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.168 -8.257 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.063 -6.782 -2.996 1.00 0.00 H new ATOM 488 N ALA A 31 6.837 -7.104 -3.064 1.00 0.00 N ATOM 489 CA ALA A 31 7.044 -6.732 -1.671 1.00 0.00 C ATOM 490 C ALA A 31 8.200 -5.747 -1.526 1.00 0.00 C ATOM 491 O ALA A 31 8.065 -4.728 -0.856 1.00 0.00 O ATOM 492 CB ALA A 31 7.286 -7.966 -0.821 1.00 0.00 C ATOM 0 H ALA A 31 7.077 -8.071 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 31 6.138 -6.238 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.439 -7.669 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.422 -8.628 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.171 -8.489 -1.183 1.00 0.00 H new ATOM 498 N LYS A 32 9.325 -6.043 -2.169 1.00 0.00 N ATOM 499 CA LYS A 32 10.499 -5.176 -2.091 1.00 0.00 C ATOM 500 C LYS A 32 10.178 -3.783 -2.624 1.00 0.00 C ATOM 501 O LYS A 32 10.618 -2.780 -2.072 1.00 0.00 O ATOM 502 CB LYS A 32 11.673 -5.775 -2.866 1.00 0.00 C ATOM 503 CG LYS A 32 12.947 -4.955 -2.751 1.00 0.00 C ATOM 504 CD LYS A 32 14.098 -5.577 -3.521 1.00 0.00 C ATOM 505 CE LYS A 32 15.380 -4.775 -3.340 1.00 0.00 C ATOM 506 NZ LYS A 32 15.256 -3.391 -3.873 1.00 0.00 N ATOM 0 H LYS A 32 9.450 -6.873 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 32 10.783 -5.093 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.864 -6.784 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.399 -5.863 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.764 -3.947 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.223 -4.860 -1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.255 -6.601 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.845 -5.628 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.634 -4.733 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.200 -5.285 -3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.199 -2.956 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.828 -3.421 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.654 -2.827 -3.239 1.00 0.00 H new ATOM 520 N MET A 33 9.399 -3.735 -3.698 1.00 0.00 N ATOM 521 CA MET A 33 8.956 -2.470 -4.274 1.00 0.00 C ATOM 522 C MET A 33 8.148 -1.678 -3.251 1.00 0.00 C ATOM 523 O MET A 33 8.277 -0.458 -3.142 1.00 0.00 O ATOM 524 CB MET A 33 8.117 -2.736 -5.527 1.00 0.00 C ATOM 525 CG MET A 33 7.506 -1.491 -6.142 1.00 0.00 C ATOM 526 SD MET A 33 6.500 -1.865 -7.592 1.00 0.00 S ATOM 527 CE MET A 33 5.324 -3.029 -6.909 1.00 0.00 C ATOM 0 H MET A 33 9.059 -4.561 -4.190 1.00 0.00 H new ATOM 0 HA MET A 33 9.830 -1.881 -4.553 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.743 -3.226 -6.273 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.318 -3.433 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.892 -0.985 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 33 8.301 -0.800 -6.423 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.346 -2.866 -7.362 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.656 -4.046 -7.118 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.253 -2.884 -5.831 1.00 0.00 H new ATOM 537 N PHE A 34 7.325 -2.389 -2.491 1.00 0.00 N ATOM 538 CA PHE A 34 6.522 -1.774 -1.448 1.00 0.00 C ATOM 539 C PHE A 34 7.430 -1.263 -0.337 1.00 0.00 C ATOM 540 O PHE A 34 7.290 -0.133 0.123 1.00 0.00 O ATOM 541 CB PHE A 34 5.526 -2.794 -0.893 1.00 0.00 C ATOM 542 CG PHE A 34 4.398 -2.187 -0.109 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.577 -1.793 1.206 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.154 -2.023 -0.693 1.00 0.00 C ATOM 545 CE1 PHE A 34 3.535 -1.241 1.922 1.00 0.00 C ATOM 546 CE2 PHE A 34 2.109 -1.474 0.018 1.00 0.00 C ATOM 547 CZ PHE A 34 2.300 -1.082 1.325 1.00 0.00 C ATOM 0 H PHE A 34 7.197 -3.397 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 34 5.967 -0.933 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.111 -3.368 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.061 -3.497 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.541 -1.919 1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.001 -2.329 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.685 -0.934 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.143 -1.351 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.483 -0.650 1.883 1.00 0.00 H new ATOM 557 N ASP A 35 8.366 -2.102 0.082 1.00 0.00 N ATOM 558 CA ASP A 35 9.337 -1.719 1.098 1.00 0.00 C ATOM 559 C ASP A 35 10.118 -0.486 0.668 1.00 0.00 C ATOM 560 O ASP A 35 10.167 0.510 1.386 1.00 0.00 O ATOM 561 CB ASP A 35 10.321 -2.859 1.378 1.00 0.00 C ATOM 562 CG ASP A 35 9.736 -3.968 2.227 1.00 0.00 C ATOM 563 OD1 ASP A 35 9.456 -3.727 3.420 1.00 0.00 O ATOM 564 OD2 ASP A 35 9.605 -5.098 1.722 1.00 0.00 O ATOM 0 H ASP A 35 8.474 -3.055 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 35 8.779 -1.495 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.659 -3.278 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.200 -2.454 1.879 1.00 0.00 H new ATOM 569 N ASP A 36 10.719 -0.558 -0.512 1.00 0.00 N ATOM 570 CA ASP A 36 11.613 0.493 -0.990 1.00 0.00 C ATOM 571 C ASP A 36 10.964 1.871 -0.963 1.00 0.00 C ATOM 572 O ASP A 36 11.442 2.768 -0.271 1.00 0.00 O ATOM 573 CB ASP A 36 12.118 0.189 -2.403 1.00 0.00 C ATOM 574 CG ASP A 36 13.312 -0.745 -2.409 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.328 -0.421 -1.757 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.251 -1.798 -3.078 1.00 0.00 O ATOM 0 H ASP A 36 10.604 -1.337 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 36 12.458 0.509 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.311 -0.256 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.390 1.122 -2.896 1.00 0.00 H new ATOM 581 N ASP A 37 9.873 2.038 -1.692 1.00 0.00 N ATOM 582 CA ASP A 37 9.277 3.362 -1.847 1.00 0.00 C ATOM 583 C ASP A 37 8.246 3.654 -0.767 1.00 0.00 C ATOM 584 O ASP A 37 8.192 4.759 -0.235 1.00 0.00 O ATOM 585 CB ASP A 37 8.614 3.504 -3.219 1.00 0.00 C ATOM 586 CG ASP A 37 9.584 3.340 -4.370 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.641 4.010 -4.369 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.302 2.534 -5.275 1.00 0.00 O ATOM 0 H ASP A 37 9.385 1.288 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 37 10.090 4.082 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.822 2.761 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.141 4.484 -3.287 1.00 0.00 H new ATOM 593 N ILE A 38 7.444 2.659 -0.431 1.00 0.00 N ATOM 594 CA ILE A 38 6.255 2.884 0.377 1.00 0.00 C ATOM 595 C ILE A 38 6.539 2.803 1.877 1.00 0.00 C ATOM 596 O ILE A 38 5.906 3.508 2.668 1.00 0.00 O ATOM 597 CB ILE A 38 5.153 1.871 0.005 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.976 1.839 -1.518 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.842 2.214 0.701 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.829 0.975 -1.991 1.00 0.00 C ATOM 0 H ILE A 38 7.593 1.688 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 38 5.917 3.897 0.160 1.00 0.00 H new ATOM 0 HB ILE A 38 5.454 0.880 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.821 2.857 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.899 1.479 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.081 1.485 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.987 2.193 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.519 3.210 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.774 1.008 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.990 -0.053 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.895 1.347 -1.569 1.00 0.00 H new ATOM 612 N LEU A 39 7.493 1.966 2.273 1.00 0.00 N ATOM 613 CA LEU A 39 7.761 1.749 3.695 1.00 0.00 C ATOM 614 C LEU A 39 8.183 3.049 4.401 1.00 0.00 C ATOM 615 O LEU A 39 7.620 3.384 5.441 1.00 0.00 O ATOM 616 CB LEU A 39 8.818 0.657 3.893 1.00 0.00 C ATOM 617 CG LEU A 39 8.540 -0.332 5.030 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.619 0.354 6.385 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.178 -0.982 4.835 1.00 0.00 C ATOM 0 H LEU A 39 8.088 1.432 1.640 1.00 0.00 H new ATOM 0 HA LEU A 39 6.830 1.414 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.915 0.097 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.780 1.136 4.078 1.00 0.00 H new ATOM 0 HG LEU A 39 9.306 -1.107 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.417 -0.372 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.616 0.772 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.880 1.154 6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.990 -1.683 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.405 -0.213 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.162 -1.516 3.885 1.00 0.00 H new ATOM 631 N PRO A 40 9.154 3.818 3.857 1.00 0.00 N ATOM 632 CA PRO A 40 9.571 5.088 4.470 1.00 0.00 C ATOM 633 C PRO A 40 8.489 6.169 4.396 1.00 0.00 C ATOM 634 O PRO A 40 8.675 7.281 4.889 1.00 0.00 O ATOM 635 CB PRO A 40 10.795 5.504 3.651 1.00 0.00 C ATOM 636 CG PRO A 40 10.629 4.820 2.340 1.00 0.00 C ATOM 637 CD PRO A 40 9.941 3.519 2.641 1.00 0.00 C ATOM 0 HA PRO A 40 9.773 4.967 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.840 6.586 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.720 5.200 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.036 5.426 1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.594 4.651 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.302 3.203 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.658 2.716 2.814 1.00 0.00 H new ATOM 645 N ILE A 41 7.359 5.843 3.782 1.00 0.00 N ATOM 646 CA ILE A 41 6.261 6.790 3.671 1.00 0.00 C ATOM 647 C ILE A 41 5.164 6.470 4.683 1.00 0.00 C ATOM 648 O ILE A 41 4.839 7.299 5.533 1.00 0.00 O ATOM 649 CB ILE A 41 5.649 6.807 2.251 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.731 7.038 1.190 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.579 7.886 2.152 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.420 8.384 1.292 1.00 0.00 C ATOM 0 H ILE A 41 7.181 4.934 3.355 1.00 0.00 H new ATOM 0 HA ILE A 41 6.678 7.776 3.879 1.00 0.00 H new ATOM 0 HB ILE A 41 5.192 5.835 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.480 6.251 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.281 6.946 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.156 7.888 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.791 7.684 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.023 8.859 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.171 8.469 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.684 9.179 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.902 8.473 2.266 1.00 0.00 H new ATOM 664 N ILE A 42 4.595 5.270 4.595 1.00 0.00 N ATOM 665 CA ILE A 42 3.506 4.879 5.492 1.00 0.00 C ATOM 666 C ILE A 42 3.768 3.532 6.158 1.00 0.00 C ATOM 667 O ILE A 42 2.960 3.070 6.959 1.00 0.00 O ATOM 668 CB ILE A 42 2.156 4.770 4.757 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.225 3.681 3.689 1.00 0.00 C ATOM 670 CG2 ILE A 42 1.764 6.104 4.143 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.915 2.960 3.490 1.00 0.00 C ATOM 0 H ILE A 42 4.865 4.556 3.919 1.00 0.00 H new ATOM 0 HA ILE A 42 3.461 5.668 6.242 1.00 0.00 H new ATOM 0 HB ILE A 42 1.389 4.498 5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.534 4.127 2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.992 2.958 3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.808 6.001 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.675 6.854 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.527 6.414 3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.032 2.199 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.615 2.486 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.150 3.673 3.183 1.00 0.00 H new ATOM 683 N GLY A 43 4.890 2.909 5.830 1.00 0.00 N ATOM 684 CA GLY A 43 5.164 1.569 6.319 1.00 0.00 C ATOM 685 C GLY A 43 5.251 1.504 7.829 1.00 0.00 C ATOM 686 O GLY A 43 4.831 0.520 8.441 1.00 0.00 O ATOM 0 H GLY A 43 5.617 3.305 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.380 0.894 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.101 1.215 5.890 1.00 0.00 H new ATOM 690 N GLY A 44 5.785 2.559 8.425 1.00 0.00 N ATOM 691 CA GLY A 44 5.925 2.602 9.865 1.00 0.00 C ATOM 692 C GLY A 44 4.696 3.158 10.556 1.00 0.00 C ATOM 693 O GLY A 44 4.659 3.244 11.783 1.00 0.00 O ATOM 0 H GLY A 44 6.124 3.387 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.122 1.597 10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.790 3.213 10.124 1.00 0.00 H new ATOM 697 N LEU A 45 3.687 3.528 9.777 1.00 0.00 N ATOM 698 CA LEU A 45 2.468 4.084 10.340 1.00 0.00 C ATOM 699 C LEU A 45 1.496 2.962 10.672 1.00 0.00 C ATOM 700 O LEU A 45 1.668 1.827 10.220 1.00 0.00 O ATOM 701 CB LEU A 45 1.817 5.067 9.359 1.00 0.00 C ATOM 702 CG LEU A 45 2.684 6.264 8.957 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.956 7.131 7.941 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.063 7.082 10.181 1.00 0.00 C ATOM 0 H LEU A 45 3.690 3.453 8.760 1.00 0.00 H new ATOM 0 HA LEU A 45 2.721 4.624 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.538 4.523 8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.895 5.441 9.804 1.00 0.00 H new ATOM 0 HG LEU A 45 3.598 5.889 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.586 7.977 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.733 6.541 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.026 7.498 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.679 7.928 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.159 7.448 10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.623 6.457 10.877 1.00 0.00 H new ATOM 716 N GLU A 46 0.487 3.269 11.468 1.00 0.00 N ATOM 717 CA GLU A 46 -0.526 2.285 11.794 1.00 0.00 C ATOM 718 C GLU A 46 -1.641 2.341 10.767 1.00 0.00 C ATOM 719 O GLU A 46 -2.047 3.420 10.341 1.00 0.00 O ATOM 720 CB GLU A 46 -1.077 2.499 13.201 1.00 0.00 C ATOM 721 CG GLU A 46 -0.010 2.414 14.279 1.00 0.00 C ATOM 722 CD GLU A 46 -0.589 2.249 15.667 1.00 0.00 C ATOM 723 OE1 GLU A 46 -1.486 3.031 16.041 1.00 0.00 O ATOM 724 OE2 GLU A 46 -0.155 1.325 16.386 1.00 0.00 O ATOM 0 H GLU A 46 0.349 4.184 11.897 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.067 1.296 11.771 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.559 3.476 13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.847 1.753 13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.651 1.574 14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.601 3.316 14.250 1.00 0.00 H new ATOM 731 N ILE A 47 -2.140 1.177 10.388 1.00 0.00 N ATOM 732 CA ILE A 47 -3.112 1.062 9.306 1.00 0.00 C ATOM 733 C ILE A 47 -4.427 1.764 9.656 1.00 0.00 C ATOM 734 O ILE A 47 -5.231 2.085 8.782 1.00 0.00 O ATOM 735 CB ILE A 47 -3.381 -0.425 8.975 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.062 -0.555 7.615 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.233 -1.069 10.064 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.127 -1.974 7.100 1.00 0.00 C ATOM 0 H ILE A 47 -1.887 0.287 10.817 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.688 1.553 8.430 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.425 -0.947 8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.074 -0.157 7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.528 0.061 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.412 -2.115 9.815 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.710 -1.008 11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.186 -0.545 10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.624 -1.987 6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.117 -2.370 6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.687 -2.591 7.803 1.00 0.00 H new ATOM 750 N GLN A 48 -4.628 2.015 10.941 1.00 0.00 N ATOM 751 CA GLN A 48 -5.850 2.646 11.412 1.00 0.00 C ATOM 752 C GLN A 48 -5.742 4.163 11.335 1.00 0.00 C ATOM 753 O GLN A 48 -6.753 4.866 11.295 1.00 0.00 O ATOM 754 CB GLN A 48 -6.137 2.222 12.850 1.00 0.00 C ATOM 755 CG GLN A 48 -6.195 0.718 13.029 1.00 0.00 C ATOM 756 CD GLN A 48 -6.452 0.306 14.462 1.00 0.00 C ATOM 757 OE1 GLN A 48 -6.065 0.999 15.405 1.00 0.00 O ATOM 758 NE2 GLN A 48 -7.104 -0.829 14.633 1.00 0.00 N ATOM 0 H GLN A 48 -3.958 1.790 11.677 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.669 2.324 10.769 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.365 2.630 13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.085 2.656 13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.981 0.311 12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.255 0.281 12.693 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.406 -1.371 13.823 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.306 -1.164 15.575 1.00 0.00 H new ATOM 767 N ASP A 49 -4.515 4.661 11.289 1.00 0.00 N ATOM 768 CA ASP A 49 -4.280 6.094 11.325 1.00 0.00 C ATOM 769 C ASP A 49 -3.289 6.502 10.244 1.00 0.00 C ATOM 770 O ASP A 49 -2.082 6.583 10.483 1.00 0.00 O ATOM 771 CB ASP A 49 -3.764 6.524 12.701 1.00 0.00 C ATOM 772 CG ASP A 49 -3.743 8.029 12.870 1.00 0.00 C ATOM 773 OD1 ASP A 49 -2.752 8.668 12.459 1.00 0.00 O ATOM 774 OD2 ASP A 49 -4.715 8.578 13.433 1.00 0.00 O ATOM 0 H ASP A 49 -3.669 4.094 11.227 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.229 6.597 11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.393 6.084 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.758 6.131 12.847 1.00 0.00 H new ATOM 779 N ILE A 50 -3.802 6.701 9.043 1.00 0.00 N ATOM 780 CA ILE A 50 -2.997 7.181 7.935 1.00 0.00 C ATOM 781 C ILE A 50 -3.709 8.325 7.235 1.00 0.00 C ATOM 782 O ILE A 50 -4.860 8.191 6.810 1.00 0.00 O ATOM 783 CB ILE A 50 -2.688 6.068 6.909 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.855 4.962 7.559 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.959 6.640 5.695 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.453 3.866 6.600 1.00 0.00 C ATOM 0 H ILE A 50 -4.781 6.536 8.810 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.050 7.524 8.351 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.632 5.641 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.957 5.402 7.992 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.424 4.525 8.380 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.751 5.840 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.584 7.395 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.021 7.094 6.015 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.865 3.117 7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.347 3.399 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.857 4.290 5.792 1.00 0.00 H new ATOM 798 N GLU A 51 -3.029 9.454 7.141 1.00 0.00 N ATOM 799 CA GLU A 51 -3.568 10.614 6.455 1.00 0.00 C ATOM 800 C GLU A 51 -3.541 10.393 4.944 1.00 0.00 C ATOM 801 O GLU A 51 -2.574 9.847 4.404 1.00 0.00 O ATOM 802 CB GLU A 51 -2.787 11.876 6.840 1.00 0.00 C ATOM 803 CG GLU A 51 -1.282 11.740 6.683 1.00 0.00 C ATOM 804 CD GLU A 51 -0.541 13.015 7.017 1.00 0.00 C ATOM 805 OE1 GLU A 51 -0.486 13.915 6.157 1.00 0.00 O ATOM 806 OE2 GLU A 51 0.005 13.119 8.135 1.00 0.00 O ATOM 0 H GLU A 51 -2.098 9.592 7.533 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.605 10.753 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.133 12.707 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.013 12.130 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.925 10.938 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.053 11.450 5.658 1.00 0.00 H new ATOM 813 N PRO A 52 -4.613 10.804 4.246 1.00 0.00 N ATOM 814 CA PRO A 52 -4.755 10.595 2.800 1.00 0.00 C ATOM 815 C PRO A 52 -3.589 11.163 1.998 1.00 0.00 C ATOM 816 O PRO A 52 -3.178 10.584 0.996 1.00 0.00 O ATOM 817 CB PRO A 52 -6.051 11.334 2.442 1.00 0.00 C ATOM 818 CG PRO A 52 -6.360 12.198 3.618 1.00 0.00 C ATOM 819 CD PRO A 52 -5.778 11.499 4.811 1.00 0.00 C ATOM 0 HA PRO A 52 -4.773 9.532 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.924 11.932 1.539 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.862 10.632 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.926 13.190 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.436 12.332 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.489 12.203 5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.487 10.802 5.257 1.00 0.00 H new ATOM 827 N MET A 53 -3.046 12.285 2.454 1.00 0.00 N ATOM 828 CA MET A 53 -1.955 12.946 1.748 1.00 0.00 C ATOM 829 C MET A 53 -0.661 12.147 1.870 1.00 0.00 C ATOM 830 O MET A 53 0.190 12.192 0.984 1.00 0.00 O ATOM 831 CB MET A 53 -1.760 14.371 2.271 1.00 0.00 C ATOM 832 CG MET A 53 -2.958 15.272 2.008 1.00 0.00 C ATOM 833 SD MET A 53 -2.717 16.958 2.600 1.00 0.00 S ATOM 834 CE MET A 53 -4.275 17.706 2.122 1.00 0.00 C ATOM 0 H MET A 53 -3.343 12.756 3.309 1.00 0.00 H new ATOM 0 HA MET A 53 -2.220 13.000 0.692 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.568 14.335 3.343 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.876 14.806 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.160 15.295 0.937 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.838 14.846 2.490 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.282 18.754 2.420 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.396 17.636 1.041 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.096 17.183 2.614 1.00 0.00 H new ATOM 844 N GLN A 54 -0.532 11.393 2.954 1.00 0.00 N ATOM 845 CA GLN A 54 0.639 10.550 3.166 1.00 0.00 C ATOM 846 C GLN A 54 0.550 9.320 2.268 1.00 0.00 C ATOM 847 O GLN A 54 1.536 8.901 1.661 1.00 0.00 O ATOM 848 CB GLN A 54 0.722 10.133 4.636 1.00 0.00 C ATOM 849 CG GLN A 54 2.070 9.574 5.057 1.00 0.00 C ATOM 850 CD GLN A 54 3.189 10.588 4.934 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.967 11.799 5.025 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.401 10.099 4.761 1.00 0.00 N ATOM 0 H GLN A 54 -1.225 11.348 3.701 1.00 0.00 H new ATOM 0 HA GLN A 54 1.540 11.109 2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.490 10.997 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.045 9.384 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.009 9.230 6.089 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.305 8.704 4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.539 9.091 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.201 10.729 4.697 1.00 0.00 H new ATOM 861 N LEU A 55 -0.647 8.753 2.180 1.00 0.00 N ATOM 862 CA LEU A 55 -0.896 7.633 1.281 1.00 0.00 C ATOM 863 C LEU A 55 -0.720 8.093 -0.165 1.00 0.00 C ATOM 864 O LEU A 55 -0.209 7.361 -1.016 1.00 0.00 O ATOM 865 CB LEU A 55 -2.313 7.081 1.506 1.00 0.00 C ATOM 866 CG LEU A 55 -2.658 5.799 0.739 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.722 4.667 1.140 1.00 0.00 C ATOM 868 CD2 LEU A 55 -4.111 5.403 0.989 1.00 0.00 C ATOM 0 H LEU A 55 -1.460 9.050 2.720 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.182 6.835 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.444 6.891 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.032 7.852 1.229 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.529 5.991 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.983 3.766 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.693 4.948 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.819 4.476 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.340 4.491 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.263 5.230 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.769 6.204 0.654 1.00 0.00 H new ATOM 880 N LEU A 56 -1.129 9.328 -0.424 1.00 0.00 N ATOM 881 CA LEU A 56 -0.970 9.933 -1.735 1.00 0.00 C ATOM 882 C LEU A 56 0.510 10.165 -2.034 1.00 0.00 C ATOM 883 O LEU A 56 0.938 10.081 -3.187 1.00 0.00 O ATOM 884 CB LEU A 56 -1.771 11.245 -1.800 1.00 0.00 C ATOM 885 CG LEU A 56 -1.894 11.904 -3.182 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.691 12.783 -3.476 1.00 0.00 C ATOM 887 CD2 LEU A 56 -2.059 10.848 -4.266 1.00 0.00 C ATOM 0 H LEU A 56 -1.577 9.933 0.265 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.359 9.258 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.775 11.051 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.309 11.961 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.782 12.536 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.804 13.237 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.619 13.566 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.215 12.178 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.145 11.334 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.192 10.188 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.959 10.265 -4.072 1.00 0.00 H new ATOM 899 N GLU A 57 1.291 10.444 -0.994 1.00 0.00 N ATOM 900 CA GLU A 57 2.725 10.617 -1.158 1.00 0.00 C ATOM 901 C GLU A 57 3.356 9.307 -1.620 1.00 0.00 C ATOM 902 O GLU A 57 4.335 9.312 -2.359 1.00 0.00 O ATOM 903 CB GLU A 57 3.380 11.104 0.136 1.00 0.00 C ATOM 904 CG GLU A 57 4.814 11.569 -0.063 1.00 0.00 C ATOM 905 CD GLU A 57 5.429 12.141 1.193 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.250 13.351 1.451 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.113 11.396 1.920 1.00 0.00 O ATOM 0 H GLU A 57 0.955 10.554 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 57 2.893 11.381 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.792 11.924 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.363 10.299 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.418 10.729 -0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.840 12.323 -0.850 1.00 0.00 H new ATOM 914 N VAL A 58 2.780 8.186 -1.188 1.00 0.00 N ATOM 915 CA VAL A 58 3.172 6.874 -1.700 1.00 0.00 C ATOM 916 C VAL A 58 2.972 6.816 -3.213 1.00 0.00 C ATOM 917 O VAL A 58 3.899 6.508 -3.970 1.00 0.00 O ATOM 918 CB VAL A 58 2.356 5.741 -1.038 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.544 4.425 -1.778 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.746 5.582 0.421 1.00 0.00 C ATOM 0 H VAL A 58 2.041 8.160 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 58 4.225 6.731 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 58 1.302 6.015 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.958 3.646 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.211 4.537 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.598 4.148 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.160 4.779 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.806 5.339 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.552 6.513 0.953 1.00 0.00 H new ATOM 930 N ILE A 59 1.755 7.129 -3.643 1.00 0.00 N ATOM 931 CA ILE A 59 1.418 7.146 -5.062 1.00 0.00 C ATOM 932 C ILE A 59 2.368 8.061 -5.837 1.00 0.00 C ATOM 933 O ILE A 59 2.885 7.686 -6.890 1.00 0.00 O ATOM 934 CB ILE A 59 -0.056 7.584 -5.294 1.00 0.00 C ATOM 935 CG1 ILE A 59 -1.016 6.402 -5.119 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.241 8.205 -6.674 1.00 0.00 C ATOM 937 CD1 ILE A 59 -1.072 5.843 -3.713 1.00 0.00 C ATOM 0 H ILE A 59 0.981 7.376 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 59 1.530 6.128 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.290 8.339 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.018 6.717 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.720 5.606 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.282 8.500 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.399 9.082 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.028 7.477 -7.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.775 5.011 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.082 5.493 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.399 6.622 -3.025 1.00 0.00 H new ATOM 949 N ARG A 60 2.626 9.247 -5.299 1.00 0.00 N ATOM 950 CA ARG A 60 3.480 10.205 -5.982 1.00 0.00 C ATOM 951 C ARG A 60 4.957 9.902 -5.779 1.00 0.00 C ATOM 952 O ARG A 60 5.809 10.501 -6.433 1.00 0.00 O ATOM 953 CB ARG A 60 3.159 11.635 -5.562 1.00 0.00 C ATOM 954 CG ARG A 60 1.854 12.131 -6.150 1.00 0.00 C ATOM 955 CD ARG A 60 1.689 13.628 -5.962 1.00 0.00 C ATOM 956 NE ARG A 60 0.395 14.104 -6.453 1.00 0.00 N ATOM 957 CZ ARG A 60 0.238 14.794 -7.581 1.00 0.00 C ATOM 958 NH1 ARG A 60 1.277 15.016 -8.378 1.00 0.00 N ATOM 959 NH2 ARG A 60 -0.967 15.241 -7.927 1.00 0.00 N ATOM 0 H ARG A 60 2.260 9.564 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 60 3.270 10.108 -7.047 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.108 11.688 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.969 12.293 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.819 11.891 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.021 11.611 -5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.788 13.873 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.490 14.149 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.435 13.895 -5.899 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.198 14.658 -8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.154 15.545 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.771 15.055 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.086 15.769 -8.791 1.00 0.00 H new ATOM 973 N ARG A 61 5.260 8.975 -4.883 1.00 0.00 N ATOM 974 CA ARG A 61 6.621 8.485 -4.739 1.00 0.00 C ATOM 975 C ARG A 61 6.979 7.671 -5.971 1.00 0.00 C ATOM 976 O ARG A 61 8.090 7.754 -6.491 1.00 0.00 O ATOM 977 CB ARG A 61 6.779 7.643 -3.467 1.00 0.00 C ATOM 978 CG ARG A 61 8.167 7.043 -3.303 1.00 0.00 C ATOM 979 CD ARG A 61 9.244 8.114 -3.308 1.00 0.00 C ATOM 980 NE ARG A 61 10.585 7.537 -3.308 1.00 0.00 N ATOM 981 CZ ARG A 61 11.313 7.345 -4.412 1.00 0.00 C ATOM 982 NH1 ARG A 61 10.842 7.706 -5.599 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.522 6.807 -4.330 1.00 0.00 N ATOM 0 H ARG A 61 4.585 8.549 -4.248 1.00 0.00 H new ATOM 0 HA ARG A 61 7.299 9.333 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.556 8.265 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.044 6.839 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.214 6.484 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.355 6.334 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.122 8.748 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.124 8.754 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 61 10.990 7.264 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.919 8.133 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.403 7.556 -6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.900 6.538 -3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.074 6.662 -5.175 1.00 0.00 H new ATOM 997 N PHE A 62 6.016 6.896 -6.447 1.00 0.00 N ATOM 998 CA PHE A 62 6.173 6.189 -7.709 1.00 0.00 C ATOM 999 C PHE A 62 6.112 7.169 -8.874 1.00 0.00 C ATOM 1000 O PHE A 62 6.785 6.984 -9.888 1.00 0.00 O ATOM 1001 CB PHE A 62 5.104 5.113 -7.869 1.00 0.00 C ATOM 1002 CG PHE A 62 5.316 3.925 -6.982 1.00 0.00 C ATOM 1003 CD1 PHE A 62 4.838 3.917 -5.685 1.00 0.00 C ATOM 1004 CD2 PHE A 62 5.996 2.812 -7.451 1.00 0.00 C ATOM 1005 CE1 PHE A 62 5.032 2.821 -4.868 1.00 0.00 C ATOM 1006 CE2 PHE A 62 6.194 1.714 -6.640 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.711 1.718 -5.346 1.00 0.00 C ATOM 0 H PHE A 62 5.122 6.741 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 62 7.148 5.702 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.128 5.547 -7.654 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.085 4.783 -8.908 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.307 4.778 -5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.375 2.804 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.653 2.827 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.726 0.853 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.864 0.859 -4.709 1.00 0.00 H new ATOM 1017 N GLU A 63 5.310 8.217 -8.713 1.00 0.00 N ATOM 1018 CA GLU A 63 5.185 9.261 -9.726 1.00 0.00 C ATOM 1019 C GLU A 63 6.541 9.907 -10.007 1.00 0.00 C ATOM 1020 O GLU A 63 6.982 9.960 -11.155 1.00 0.00 O ATOM 1021 CB GLU A 63 4.179 10.325 -9.276 1.00 0.00 C ATOM 1022 CG GLU A 63 3.953 11.432 -10.295 1.00 0.00 C ATOM 1023 CD GLU A 63 3.047 12.531 -9.776 1.00 0.00 C ATOM 1024 OE1 GLU A 63 1.820 12.319 -9.702 1.00 0.00 O ATOM 1025 OE2 GLU A 63 3.560 13.628 -9.457 1.00 0.00 O ATOM 0 H GLU A 63 4.733 8.367 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 63 4.823 8.801 -10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.226 9.842 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.528 10.769 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.914 11.862 -10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.518 11.005 -11.198 1.00 0.00 H new ATOM 1032 N ASP A 64 7.210 10.382 -8.954 1.00 0.00 N ATOM 1033 CA ASP A 64 8.518 11.021 -9.117 1.00 0.00 C ATOM 1034 C ASP A 64 9.582 9.996 -9.510 1.00 0.00 C ATOM 1035 O ASP A 64 10.628 10.355 -10.050 1.00 0.00 O ATOM 1036 CB ASP A 64 8.948 11.777 -7.848 1.00 0.00 C ATOM 1037 CG ASP A 64 9.445 10.874 -6.730 1.00 0.00 C ATOM 1038 OD1 ASP A 64 10.621 10.453 -6.774 1.00 0.00 O ATOM 1039 OD2 ASP A 64 8.673 10.609 -5.785 1.00 0.00 O ATOM 0 H ASP A 64 6.874 10.338 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 64 8.420 11.750 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.736 12.484 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.104 12.361 -7.482 1.00 0.00 H new ATOM 1044 N ARG A 65 9.310 8.724 -9.240 1.00 0.00 N ATOM 1045 CA ARG A 65 10.210 7.648 -9.647 1.00 0.00 C ATOM 1046 C ARG A 65 10.053 7.372 -11.143 1.00 0.00 C ATOM 1047 O ARG A 65 10.953 6.834 -11.791 1.00 0.00 O ATOM 1048 CB ARG A 65 9.928 6.378 -8.833 1.00 0.00 C ATOM 1049 CG ARG A 65 10.869 5.220 -9.142 1.00 0.00 C ATOM 1050 CD ARG A 65 10.636 4.038 -8.207 1.00 0.00 C ATOM 1051 NE ARG A 65 11.521 2.909 -8.516 1.00 0.00 N ATOM 1052 CZ ARG A 65 12.068 2.113 -7.594 1.00 0.00 C ATOM 1053 NH1 ARG A 65 11.828 2.307 -6.307 1.00 0.00 N ATOM 1054 NH2 ARG A 65 12.850 1.106 -7.961 1.00 0.00 N ATOM 0 H ARG A 65 8.476 8.412 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 65 11.237 7.957 -9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.999 6.616 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.903 6.059 -9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.726 4.901 -10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.902 5.557 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.798 4.354 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.597 3.716 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 65 11.731 2.721 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.220 3.071 -6.011 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.251 1.693 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.035 0.938 -8.950 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.266 0.500 -7.254 1.00 0.00 H new ATOM 1068 N GLY A 66 8.904 7.756 -11.683 1.00 0.00 N ATOM 1069 CA GLY A 66 8.653 7.594 -13.099 1.00 0.00 C ATOM 1070 C GLY A 66 7.709 6.445 -13.395 1.00 0.00 C ATOM 1071 O GLY A 66 7.262 6.278 -14.531 1.00 0.00 O ATOM 0 H GLY A 66 8.137 8.180 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.232 8.517 -13.498 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.598 7.425 -13.615 1.00 0.00 H new ATOM 1075 N ALA A 67 7.391 5.668 -12.368 1.00 0.00 N ATOM 1076 CA ALA A 67 6.554 4.488 -12.530 1.00 0.00 C ATOM 1077 C ALA A 67 5.080 4.840 -12.372 1.00 0.00 C ATOM 1078 O ALA A 67 4.611 5.110 -11.269 1.00 0.00 O ATOM 1079 CB ALA A 67 6.956 3.417 -11.526 1.00 0.00 C ATOM 0 H ALA A 67 7.702 5.835 -11.411 1.00 0.00 H new ATOM 0 HA ALA A 67 6.702 4.099 -13.537 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.323 2.539 -11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.998 3.140 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.836 3.803 -10.514 1.00 0.00 H new ATOM 1085 N MET A 68 4.354 4.839 -13.483 1.00 0.00 N ATOM 1086 CA MET A 68 2.941 5.200 -13.476 1.00 0.00 C ATOM 1087 C MET A 68 2.075 3.992 -13.139 1.00 0.00 C ATOM 1088 O MET A 68 1.190 4.066 -12.286 1.00 0.00 O ATOM 1089 CB MET A 68 2.532 5.770 -14.836 1.00 0.00 C ATOM 1090 CG MET A 68 3.288 7.031 -15.247 1.00 0.00 C ATOM 1091 SD MET A 68 2.640 8.548 -14.502 1.00 0.00 S ATOM 1092 CE MET A 68 3.044 8.319 -12.771 1.00 0.00 C ATOM 0 H MET A 68 4.721 4.592 -14.402 1.00 0.00 H new ATOM 0 HA MET A 68 2.789 5.961 -12.710 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.685 5.005 -15.597 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.465 5.991 -14.817 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.337 6.921 -14.970 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.253 7.127 -16.332 1.00 0.00 H new ATOM 0 HE1 MET A 68 3.314 9.279 -12.330 1.00 0.00 H new ATOM 0 HE2 MET A 68 2.181 7.909 -12.247 1.00 0.00 H new ATOM 0 HE3 MET A 68 3.884 7.630 -12.681 1.00 0.00 H new ATOM 1102 N GLU A 69 2.347 2.876 -13.804 1.00 0.00 N ATOM 1103 CA GLU A 69 1.587 1.651 -13.582 1.00 0.00 C ATOM 1104 C GLU A 69 1.755 1.174 -12.147 1.00 0.00 C ATOM 1105 O GLU A 69 0.786 0.813 -11.477 1.00 0.00 O ATOM 1106 CB GLU A 69 2.053 0.554 -14.537 1.00 0.00 C ATOM 1107 CG GLU A 69 1.350 -0.775 -14.322 1.00 0.00 C ATOM 1108 CD GLU A 69 2.107 -1.937 -14.922 1.00 0.00 C ATOM 1109 OE1 GLU A 69 2.058 -2.113 -16.155 1.00 0.00 O ATOM 1110 OE2 GLU A 69 2.754 -2.682 -14.159 1.00 0.00 O ATOM 0 H GLU A 69 3.087 2.793 -14.501 1.00 0.00 H new ATOM 0 HA GLU A 69 0.535 1.867 -13.768 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.887 0.882 -15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.127 0.411 -14.418 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.220 -0.944 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.353 -0.730 -14.761 1.00 0.00 H new ATOM 1117 N ARG A 70 2.993 1.187 -11.676 1.00 0.00 N ATOM 1118 CA ARG A 70 3.296 0.709 -10.339 1.00 0.00 C ATOM 1119 C ARG A 70 2.824 1.699 -9.279 1.00 0.00 C ATOM 1120 O ARG A 70 2.721 1.355 -8.101 1.00 0.00 O ATOM 1121 CB ARG A 70 4.789 0.407 -10.208 1.00 0.00 C ATOM 1122 CG ARG A 70 5.229 -0.719 -11.131 1.00 0.00 C ATOM 1123 CD ARG A 70 6.673 -1.128 -10.899 1.00 0.00 C ATOM 1124 NE ARG A 70 7.040 -2.279 -11.722 1.00 0.00 N ATOM 1125 CZ ARG A 70 7.472 -3.443 -11.235 1.00 0.00 C ATOM 1126 NH1 ARG A 70 7.615 -3.617 -9.928 1.00 0.00 N ATOM 1127 NH2 ARG A 70 7.760 -4.438 -12.058 1.00 0.00 N ATOM 0 H ARG A 70 3.801 1.523 -12.200 1.00 0.00 H new ATOM 0 HA ARG A 70 2.751 -0.220 -10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.361 1.306 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.015 0.138 -9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.581 -1.583 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.105 -0.405 -12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.331 -0.290 -11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.820 -1.370 -9.846 1.00 0.00 H new ATOM 0 HE ARG A 70 6.961 -2.186 -12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.394 -2.857 -9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.946 -4.511 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.652 -4.315 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.090 -5.328 -11.686 1.00 0.00 H new ATOM 1141 N ALA A 71 2.508 2.920 -9.706 1.00 0.00 N ATOM 1142 CA ALA A 71 1.886 3.896 -8.821 1.00 0.00 C ATOM 1143 C ALA A 71 0.455 3.470 -8.523 1.00 0.00 C ATOM 1144 O ALA A 71 -0.006 3.533 -7.381 1.00 0.00 O ATOM 1145 CB ALA A 71 1.912 5.288 -9.439 1.00 0.00 C ATOM 0 H ALA A 71 2.673 3.254 -10.656 1.00 0.00 H new ATOM 0 HA ALA A 71 2.451 3.937 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.442 5.997 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.945 5.587 -9.618 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.368 5.277 -10.384 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.244 3.021 -9.563 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.586 2.470 -9.396 1.00 0.00 C ATOM 1153 C ASN A 72 -1.519 1.171 -8.602 1.00 0.00 C ATOM 1154 O ASN A 72 -2.396 0.881 -7.788 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.258 2.229 -10.754 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.673 1.692 -10.611 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.629 2.456 -10.467 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -3.821 0.375 -10.676 1.00 0.00 N ATOM 0 H ASN A 72 0.095 3.028 -10.525 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.188 3.195 -8.848 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.281 3.163 -11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.661 1.524 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.751 -0.038 -10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.005 -0.225 -10.796 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.459 0.397 -8.832 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.231 -0.834 -8.080 1.00 0.00 C ATOM 1167 C LYS A 73 -0.113 -0.554 -6.584 1.00 0.00 C ATOM 1168 O LYS A 73 -0.565 -1.351 -5.765 1.00 0.00 O ATOM 1169 CB LYS A 73 1.028 -1.558 -8.566 1.00 0.00 C ATOM 1170 CG LYS A 73 0.800 -2.450 -9.774 1.00 0.00 C ATOM 1171 CD LYS A 73 2.055 -3.231 -10.124 1.00 0.00 C ATOM 1172 CE LYS A 73 1.754 -4.397 -11.053 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.242 -3.955 -12.376 1.00 0.00 N ATOM 0 H LYS A 73 0.254 0.601 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.094 -1.477 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.788 -0.817 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.425 -2.163 -7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.017 -3.142 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.497 -1.842 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.777 -2.566 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.517 -3.604 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.660 -4.986 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.019 -5.051 -10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.053 -4.787 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.363 -3.416 -12.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.952 -3.353 -12.839 1.00 0.00 H new ATOM 1187 N ALA A 74 0.508 0.563 -6.231 1.00 0.00 N ATOM 1188 CA ALA A 74 0.609 0.968 -4.836 1.00 0.00 C ATOM 1189 C ALA A 74 -0.779 1.234 -4.269 1.00 0.00 C ATOM 1190 O ALA A 74 -1.189 0.620 -3.285 1.00 0.00 O ATOM 1191 CB ALA A 74 1.482 2.208 -4.705 1.00 0.00 C ATOM 0 H ALA A 74 0.949 1.204 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 74 1.072 0.160 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.547 2.498 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.481 1.992 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.044 3.024 -5.280 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.495 2.127 -4.939 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.856 2.505 -4.568 1.00 0.00 C ATOM 1199 C ARG A 75 -3.747 1.276 -4.373 1.00 0.00 C ATOM 1200 O ARG A 75 -4.416 1.132 -3.347 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.426 3.397 -5.671 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.862 3.842 -5.459 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.352 4.627 -6.664 1.00 0.00 C ATOM 1204 NE ARG A 75 -6.737 5.067 -6.529 1.00 0.00 N ATOM 1205 CZ ARG A 75 -7.530 5.339 -7.565 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.089 5.173 -8.808 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -8.765 5.765 -7.356 1.00 0.00 N ATOM 0 H ARG A 75 -1.146 2.615 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.830 3.040 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.797 4.282 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.363 2.862 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.500 2.973 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.931 4.458 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.712 5.497 -6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.258 4.009 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.119 5.172 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.140 4.836 -8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.699 5.382 -9.598 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.109 5.885 -6.403 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.373 5.974 -8.148 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.738 0.395 -5.364 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.573 -0.801 -5.352 1.00 0.00 C ATOM 1223 C ARG A 76 -4.209 -1.738 -4.200 1.00 0.00 C ATOM 1224 O ARG A 76 -5.085 -2.186 -3.460 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.446 -1.528 -6.693 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.201 -2.843 -6.768 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.143 -3.424 -8.168 1.00 0.00 C ATOM 1228 NE ARG A 76 -5.685 -4.778 -8.221 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.832 -5.101 -8.811 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -7.594 -4.163 -9.361 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -7.218 -6.369 -8.842 1.00 0.00 N ATOM 0 H ARG A 76 -3.155 0.487 -6.196 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.607 -0.491 -5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.806 -0.871 -7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.391 -1.717 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.775 -3.552 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.240 -2.687 -6.478 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.702 -2.783 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.109 -3.433 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.150 -5.524 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.301 -3.186 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.472 -4.419 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.636 -7.090 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.097 -6.624 -9.293 1.00 0.00 H new ATOM 1245 N ARG A 77 -2.919 -2.027 -4.045 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.469 -2.952 -3.006 1.00 0.00 C ATOM 1247 C ARG A 77 -2.779 -2.420 -1.619 1.00 0.00 C ATOM 1248 O ARG A 77 -3.337 -3.140 -0.795 1.00 0.00 O ATOM 1249 CB ARG A 77 -0.974 -3.229 -3.123 1.00 0.00 C ATOM 1250 CG ARG A 77 -0.606 -4.076 -4.326 1.00 0.00 C ATOM 1251 CD ARG A 77 0.896 -4.265 -4.416 1.00 0.00 C ATOM 1252 NE ARG A 77 1.604 -2.985 -4.515 1.00 0.00 N ATOM 1253 CZ ARG A 77 2.868 -2.798 -4.123 1.00 0.00 C ATOM 1254 NH1 ARG A 77 3.549 -3.796 -3.571 1.00 0.00 N ATOM 1255 NH2 ARG A 77 3.447 -1.610 -4.275 1.00 0.00 N ATOM 0 H ARG A 77 -2.172 -1.638 -4.620 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.014 -3.885 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.441 -2.280 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.634 -3.732 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.095 -5.047 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.972 -3.601 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.247 -4.807 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.133 -4.879 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 77 1.101 -2.189 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.107 -4.707 -3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.514 -3.651 -3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.926 -0.838 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.412 -1.471 -3.975 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.423 -1.163 -1.363 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.690 -0.548 -0.070 1.00 0.00 C ATOM 1271 C CYS A 78 -4.175 -0.634 0.258 1.00 0.00 C ATOM 1272 O CYS A 78 -4.553 -0.963 1.382 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.227 0.910 -0.060 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.442 1.114 -0.280 1.00 0.00 S ATOM 0 H CYS A 78 -1.951 -0.555 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.131 -1.091 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.745 1.451 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.522 1.368 0.884 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.142 0.985 -1.538 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.010 -0.369 -0.745 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.445 -0.467 -0.578 1.00 0.00 C ATOM 1282 C GLY A 79 -6.887 -1.849 -0.136 1.00 0.00 C ATOM 1283 O GLY A 79 -7.774 -1.978 0.710 1.00 0.00 O ATOM 0 H GLY A 79 -4.711 -0.086 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.773 0.268 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.935 -0.216 -1.519 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.267 -2.885 -0.691 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.615 -4.249 -0.322 1.00 0.00 C ATOM 1289 C GLU A 80 -6.021 -4.609 1.036 1.00 0.00 C ATOM 1290 O GLU A 80 -6.596 -5.401 1.774 1.00 0.00 O ATOM 1291 CB GLU A 80 -6.165 -5.259 -1.379 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.721 -6.650 -1.118 1.00 0.00 C ATOM 1293 CD GLU A 80 -6.268 -7.687 -2.120 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -6.765 -7.673 -3.262 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.444 -8.548 -1.750 1.00 0.00 O ATOM 0 H GLU A 80 -5.529 -2.807 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.702 -4.297 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.487 -4.920 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.076 -5.302 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.422 -6.969 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.810 -6.603 -1.125 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.874 -4.027 1.368 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.297 -4.203 2.699 1.00 0.00 C ATOM 1304 C VAL A 81 -5.247 -3.633 3.750 1.00 0.00 C ATOM 1305 O VAL A 81 -5.499 -4.258 4.784 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.909 -3.528 2.827 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.349 -3.701 4.230 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.939 -4.096 1.806 1.00 0.00 C ATOM 0 H VAL A 81 -4.329 -3.435 0.742 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.158 -5.272 2.860 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.037 -2.463 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.374 -3.218 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.028 -3.246 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.244 -4.763 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.970 -3.608 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.825 -5.168 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.324 -3.921 0.801 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.785 -2.449 3.464 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.824 -1.854 4.298 1.00 0.00 C ATOM 1320 C PHE A 82 -8.033 -2.784 4.366 1.00 0.00 C ATOM 1321 O PHE A 82 -8.550 -3.069 5.444 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.252 -0.487 3.746 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.218 0.595 3.892 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.725 0.939 5.138 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.751 1.277 2.781 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.780 1.941 5.272 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.807 2.276 2.907 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.320 2.609 4.155 1.00 0.00 C ATOM 0 H PHE A 82 -5.517 -1.883 2.659 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.419 -1.711 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.498 -0.597 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.163 -0.173 4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.081 0.420 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.131 1.024 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.403 2.200 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.450 2.796 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.581 3.390 4.257 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.457 -3.259 3.199 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.567 -4.201 3.084 1.00 0.00 C ATOM 1340 C ARG A 83 -9.328 -5.434 3.957 1.00 0.00 C ATOM 1341 O ARG A 83 -10.178 -5.814 4.762 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.726 -4.609 1.614 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.734 -5.718 1.371 1.00 0.00 C ATOM 1344 CD ARG A 83 -10.835 -6.044 -0.110 1.00 0.00 C ATOM 1345 NE ARG A 83 -11.742 -7.159 -0.368 1.00 0.00 N ATOM 1346 CZ ARG A 83 -12.349 -7.372 -1.535 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -12.168 -6.539 -2.554 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -13.153 -8.414 -1.684 1.00 0.00 N ATOM 0 H ARG A 83 -8.040 -3.002 2.304 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.482 -3.720 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.023 -3.733 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.756 -4.928 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.440 -6.610 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.711 -5.416 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.181 -5.164 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.845 -6.287 -0.495 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.922 -7.815 0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.560 -5.727 -2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.637 -6.711 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.308 -9.054 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.617 -8.576 -2.578 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.154 -6.035 3.798 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.753 -7.209 4.565 1.00 0.00 C ATOM 1364 C TYR A 84 -7.863 -6.932 6.060 1.00 0.00 C ATOM 1365 O TYR A 84 -8.367 -7.759 6.822 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.312 -7.581 4.196 1.00 0.00 C ATOM 1367 CG TYR A 84 -5.802 -8.870 4.809 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -5.170 -8.875 6.047 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.923 -10.076 4.130 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -4.677 -10.043 6.588 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.438 -11.251 4.672 1.00 0.00 C ATOM 1372 CZ TYR A 84 -4.811 -11.228 5.898 1.00 0.00 C ATOM 1373 OH TYR A 84 -4.317 -12.394 6.437 1.00 0.00 O ATOM 0 H TYR A 84 -7.450 -5.720 3.130 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.416 -8.041 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.240 -7.660 3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.654 -6.767 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.064 -7.950 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.404 -10.096 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.187 -10.029 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.550 -12.182 4.137 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.155 -12.268 7.395 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.405 -5.758 6.470 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.453 -5.360 7.869 1.00 0.00 C ATOM 1385 C ALA A 85 -8.892 -5.179 8.346 1.00 0.00 C ATOM 1386 O ALA A 85 -9.226 -5.561 9.462 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.654 -4.088 8.090 1.00 0.00 C ATOM 0 H ALA A 85 -6.994 -5.061 5.849 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.004 -6.160 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.702 -3.806 9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.615 -4.257 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.071 -3.286 7.480 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.740 -4.606 7.500 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.146 -4.412 7.847 1.00 0.00 C ATOM 1395 C ILE A 86 -11.840 -5.757 8.045 1.00 0.00 C ATOM 1396 O ILE A 86 -12.647 -5.928 8.958 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.898 -3.593 6.771 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.250 -2.216 6.605 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.367 -3.442 7.139 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.903 -1.364 5.541 1.00 0.00 C ATOM 0 H ILE A 86 -9.482 -4.268 6.573 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.171 -3.849 8.780 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.834 -4.129 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.291 -1.687 7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.196 -2.347 6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.877 -2.863 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.826 -4.428 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.451 -2.927 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.392 -0.403 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.839 -1.872 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.950 -1.202 5.797 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.506 -6.714 7.190 1.00 0.00 N ATOM 1413 CA VAL A 87 -12.070 -8.056 7.277 1.00 0.00 C ATOM 1414 C VAL A 87 -11.542 -8.795 8.504 1.00 0.00 C ATOM 1415 O VAL A 87 -12.271 -9.538 9.160 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.752 -8.873 6.007 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.333 -10.277 6.087 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -12.275 -8.149 4.780 1.00 0.00 C ATOM 0 H VAL A 87 -10.844 -6.586 6.424 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.151 -7.949 7.368 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.669 -8.970 5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.090 -10.824 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.910 -10.797 6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.416 -10.217 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.046 -8.732 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.354 -8.023 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.800 -7.171 4.705 1.00 0.00 H new ATOM 1428 N THR A 88 -10.274 -8.574 8.822 1.00 0.00 N ATOM 1429 CA THR A 88 -9.646 -9.252 9.948 1.00 0.00 C ATOM 1430 C THR A 88 -9.937 -8.535 11.269 1.00 0.00 C ATOM 1431 O THR A 88 -9.611 -9.038 12.345 1.00 0.00 O ATOM 1432 CB THR A 88 -8.125 -9.390 9.734 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.559 -8.136 9.333 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.827 -10.441 8.676 1.00 0.00 C ATOM 0 H THR A 88 -9.661 -7.933 8.318 1.00 0.00 H new ATOM 0 HA THR A 88 -10.078 -10.251 10.006 1.00 0.00 H new ATOM 0 HB THR A 88 -7.678 -9.699 10.679 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.496 -8.103 8.356 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.749 -10.524 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.227 -11.403 8.996 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.291 -10.150 7.734 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.564 -7.366 11.183 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.951 -6.639 12.382 1.00 0.00 C ATOM 1444 C GLY A 89 -9.840 -5.767 12.942 1.00 0.00 C ATOM 1445 O GLY A 89 -9.821 -5.455 14.136 1.00 0.00 O ATOM 0 H GLY A 89 -10.812 -6.908 10.306 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.815 -6.014 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.264 -7.352 13.145 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.913 -5.373 12.085 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.814 -4.510 12.491 1.00 0.00 C ATOM 1451 C ARG A 90 -7.979 -3.112 11.904 1.00 0.00 C ATOM 1452 O ARG A 90 -7.198 -2.209 12.192 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.477 -5.125 12.078 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.060 -6.283 12.970 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.837 -7.005 12.436 1.00 0.00 C ATOM 1456 NE ARG A 90 -5.145 -7.792 11.243 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.417 -8.826 10.822 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.315 -9.183 11.471 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -4.795 -9.504 9.752 1.00 0.00 N ATOM 0 H ARG A 90 -8.899 -5.638 11.100 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.827 -4.418 13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.545 -5.473 11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.705 -4.356 12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.851 -5.910 13.973 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.887 -6.988 13.058 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.060 -6.277 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.436 -7.660 13.209 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.968 -7.534 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.020 -8.665 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.764 -9.976 11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.642 -9.235 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.240 -10.296 9.427 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.006 -2.952 11.080 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.370 -1.655 10.527 1.00 0.00 C ATOM 1475 C ALA A 91 -10.873 -1.617 10.299 1.00 0.00 C ATOM 1476 O ALA A 91 -11.525 -2.661 10.330 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.621 -1.382 9.229 1.00 0.00 C ATOM 0 H ALA A 91 -9.609 -3.717 10.777 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.090 -0.875 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.913 -0.407 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.548 -1.390 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.866 -2.153 8.499 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.429 -0.431 10.089 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.872 -0.304 9.905 1.00 0.00 C ATOM 1485 C LYS A 92 -13.233 0.557 8.695 1.00 0.00 C ATOM 1486 O LYS A 92 -14.390 0.569 8.268 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.527 0.261 11.169 1.00 0.00 C ATOM 1488 CG LYS A 92 -13.444 -0.682 12.359 1.00 0.00 C ATOM 1489 CD LYS A 92 -14.168 -0.131 13.576 1.00 0.00 C ATOM 1490 CE LYS A 92 -14.087 -1.095 14.749 1.00 0.00 C ATOM 1491 NZ LYS A 92 -14.773 -0.567 15.957 1.00 0.00 N ATOM 0 H LYS A 92 -10.912 0.447 10.042 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.257 -1.306 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.048 1.205 11.428 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -14.574 0.481 10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.874 -1.646 12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.398 -0.858 12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.732 0.827 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.213 0.056 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.535 -2.048 14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.041 -1.292 14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.693 -1.257 16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -14.330 0.329 16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.777 -0.403 15.742 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.268 1.275 8.139 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.535 2.101 6.966 1.00 0.00 C ATOM 1507 C TYR A 93 -11.316 2.145 6.055 1.00 0.00 C ATOM 1508 O TYR A 93 -10.211 1.799 6.470 1.00 0.00 O ATOM 1509 CB TYR A 93 -12.931 3.527 7.382 1.00 0.00 C ATOM 1510 CG TYR A 93 -11.765 4.410 7.784 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -11.217 4.344 9.059 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.214 5.313 6.881 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -10.153 5.152 9.420 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -10.152 6.121 7.232 1.00 0.00 C ATOM 1515 CZ TYR A 93 -9.624 6.038 8.502 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.565 6.844 8.858 1.00 0.00 O ATOM 0 H TYR A 93 -11.305 1.304 8.474 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.366 1.654 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.460 4.000 6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.630 3.468 8.216 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.628 3.652 9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.626 5.383 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.738 5.090 10.415 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.737 6.814 6.515 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.313 7.408 8.097 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.519 2.565 4.815 1.00 0.00 N ATOM 1527 CA ASN A 94 -10.414 2.739 3.884 1.00 0.00 C ATOM 1528 C ASN A 94 -10.174 4.222 3.653 1.00 0.00 C ATOM 1529 O ASN A 94 -11.120 4.984 3.458 1.00 0.00 O ATOM 1530 CB ASN A 94 -10.699 2.083 2.524 1.00 0.00 C ATOM 1531 CG ASN A 94 -11.256 0.675 2.618 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -10.388 -0.324 2.567 1.00 0.00 O flip ATOM 1533 ND2 ASN A 94 -12.469 0.486 2.708 1.00 0.00 N flip ATOM 0 H ASN A 94 -12.436 2.791 4.431 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.539 2.262 4.326 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.405 2.705 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.776 2.059 1.944 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.108 1.281 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.836 -0.465 2.746 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.914 4.661 3.686 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.537 6.011 3.270 1.00 0.00 C ATOM 1542 C PRO A 95 -8.497 6.134 1.747 1.00 0.00 C ATOM 1543 O PRO A 95 -8.004 7.119 1.206 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.131 6.205 3.865 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.886 5.006 4.726 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.760 3.914 4.181 1.00 0.00 C ATOM 0 HA PRO A 95 -9.251 6.761 3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -6.380 6.282 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.076 7.124 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.836 4.715 4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -7.131 5.218 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.266 3.355 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.040 3.194 4.950 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.032 5.120 1.066 1.00 0.00 N ATOM 1555 CA ALA A 96 -9.046 5.071 -0.394 1.00 0.00 C ATOM 1556 C ALA A 96 -9.839 6.234 -1.014 1.00 0.00 C ATOM 1557 O ALA A 96 -9.355 6.863 -1.958 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.584 3.730 -0.878 1.00 0.00 C ATOM 0 H ALA A 96 -9.467 4.312 1.511 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.014 5.180 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.587 3.711 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.950 2.927 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.600 3.591 -0.510 1.00 0.00 H new ATOM 1564 N PRO A 97 -11.069 6.533 -0.526 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.836 7.694 -0.993 1.00 0.00 C ATOM 1566 C PRO A 97 -11.033 8.986 -0.883 1.00 0.00 C ATOM 1567 O PRO A 97 -10.924 9.757 -1.841 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.050 7.744 -0.049 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.732 6.802 1.064 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.829 5.765 0.474 1.00 0.00 C ATOM 0 HA PRO A 97 -12.108 7.601 -2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.213 8.754 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.962 7.446 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.244 7.322 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.639 6.349 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.176 5.321 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.391 4.950 0.018 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.451 9.198 0.290 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.663 10.393 0.561 1.00 0.00 C ATOM 1580 C ASP A 98 -8.373 10.389 -0.243 1.00 0.00 C ATOM 1581 O ASP A 98 -7.844 11.442 -0.572 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.353 10.505 2.054 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.590 10.779 2.883 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.402 9.850 3.073 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.763 11.927 3.346 1.00 0.00 O ATOM 0 H ASP A 98 -10.511 8.551 1.076 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.253 11.259 0.259 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.888 9.580 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.629 11.304 2.213 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.872 9.201 -0.554 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.685 9.053 -1.393 1.00 0.00 C ATOM 1592 C LEU A 99 -6.925 9.707 -2.753 1.00 0.00 C ATOM 1593 O LEU A 99 -6.085 10.458 -3.253 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.347 7.557 -1.547 1.00 0.00 C ATOM 1595 CG LEU A 99 -5.072 7.200 -2.333 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.302 7.260 -3.838 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.924 8.112 -1.941 1.00 0.00 C ATOM 0 H LEU A 99 -8.271 8.318 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.837 9.552 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.261 7.126 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.191 7.068 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.810 6.174 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.379 7.002 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.084 6.553 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.607 8.268 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.034 7.841 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.191 9.147 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.721 8.004 -0.875 1.00 0.00 H new ATOM 1609 N ALA A 100 -8.087 9.430 -3.330 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.452 9.991 -4.622 1.00 0.00 C ATOM 1611 C ALA A 100 -8.625 11.503 -4.524 1.00 0.00 C ATOM 1612 O ALA A 100 -8.229 12.248 -5.426 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.723 9.336 -5.143 1.00 0.00 C ATOM 0 H ALA A 100 -8.794 8.818 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.646 9.788 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.984 9.766 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.561 8.264 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.536 9.508 -4.438 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.207 11.952 -3.417 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.414 13.378 -3.191 1.00 0.00 C ATOM 1621 C ASP A 101 -8.088 14.086 -2.959 1.00 0.00 C ATOM 1622 O ASP A 101 -7.863 15.178 -3.470 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.347 13.614 -2.001 1.00 0.00 C ATOM 1624 CG ASP A 101 -10.587 15.091 -1.746 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.350 15.716 -2.516 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.027 15.633 -0.770 1.00 0.00 O ATOM 0 H ASP A 101 -9.543 11.351 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 101 -9.880 13.791 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.301 13.119 -2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.918 13.158 -1.109 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.209 13.447 -2.200 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.887 13.992 -1.918 1.00 0.00 C ATOM 1633 C ALA A 102 -5.057 14.075 -3.192 1.00 0.00 C ATOM 1634 O ALA A 102 -4.267 14.998 -3.366 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.171 13.150 -0.873 1.00 0.00 C ATOM 0 H ALA A 102 -7.389 12.542 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.013 15.000 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.186 13.574 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.753 13.142 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.060 12.130 -1.241 1.00 0.00 H new ATOM 1641 N MET A 103 -5.237 13.103 -4.078 1.00 0.00 N ATOM 1642 CA MET A 103 -4.569 13.119 -5.375 1.00 0.00 C ATOM 1643 C MET A 103 -4.986 14.361 -6.155 1.00 0.00 C ATOM 1644 O MET A 103 -4.171 14.998 -6.827 1.00 0.00 O ATOM 1645 CB MET A 103 -4.912 11.853 -6.166 1.00 0.00 C ATOM 1646 CG MET A 103 -4.143 11.716 -7.472 1.00 0.00 C ATOM 1647 SD MET A 103 -4.545 10.199 -8.365 1.00 0.00 S ATOM 1648 CE MET A 103 -4.043 8.960 -7.175 1.00 0.00 C ATOM 0 H MET A 103 -5.839 12.294 -3.923 1.00 0.00 H new ATOM 0 HA MET A 103 -3.491 13.145 -5.218 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.710 10.981 -5.543 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.980 11.850 -6.382 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.360 12.575 -8.108 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.074 11.736 -7.262 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.540 8.142 -7.691 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.361 9.406 -6.451 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.922 8.576 -6.657 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.262 14.698 -6.032 1.00 0.00 N ATOM 1659 CA LYS A 104 -6.828 15.884 -6.657 1.00 0.00 C ATOM 1660 C LYS A 104 -6.368 17.153 -5.936 1.00 0.00 C ATOM 1661 O LYS A 104 -5.928 18.114 -6.565 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.355 15.777 -6.631 1.00 0.00 C ATOM 1663 CG LYS A 104 -9.088 17.005 -7.137 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.579 16.871 -6.889 1.00 0.00 C ATOM 1665 CE LYS A 104 -11.341 18.122 -7.283 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.772 18.028 -6.897 1.00 0.00 N ATOM 0 H LYS A 104 -6.936 14.154 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.482 15.947 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.655 14.919 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.674 15.577 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.708 17.895 -6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.900 17.135 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.964 16.021 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.752 16.659 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.890 18.991 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.262 18.274 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.266 18.898 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.207 17.213 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.846 17.907 -5.867 1.00 0.00 H new