USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -45:sc= 0.195 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 0.661 (180deg=0.574) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 155:sc= -0.0517 (180deg=-0.548) USER MOD Single : A 66 GLN : amide:sc= -0.911 K(o=-0.91,f=-0.18) USER MOD Single : A 70 SER OG : rot 151:sc= 1.23 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-7.2!) USER MOD Single : A 105 THR OG1 : rot -41:sc= 0.473 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.939 -12.544 5.376 1.00 51.35 N ATOM 42 CA LEU A 4 -12.147 -11.434 4.448 1.00 22.14 C ATOM 43 C LEU A 4 -11.701 -11.851 3.039 1.00 63.51 C ATOM 44 O LEU A 4 -11.413 -13.016 2.779 1.00 73.51 O ATOM 45 CB LEU A 4 -11.339 -10.230 4.988 1.00 14.00 C ATOM 46 CG LEU A 4 -11.993 -9.434 6.141 1.00 23.50 C ATOM 47 CD1 LEU A 4 -13.018 -8.441 5.600 1.00 52.31 C ATOM 48 CD2 LEU A 4 -12.654 -10.271 7.243 1.00 64.45 C ATOM 0 HA LEU A 4 -13.198 -11.156 4.375 1.00 22.14 H new ATOM 0 HB2 LEU A 4 -10.369 -10.593 5.328 1.00 14.00 H new ATOM 0 HB3 LEU A 4 -11.151 -9.545 4.162 1.00 14.00 H new ATOM 0 HG LEU A 4 -11.152 -8.927 6.613 1.00 23.50 H new ATOM 0 HD11 LEU A 4 -13.465 -7.892 6.429 1.00 52.31 H new ATOM 0 HD12 LEU A 4 -12.525 -7.741 4.925 1.00 52.31 H new ATOM 0 HD13 LEU A 4 -13.796 -8.980 5.059 1.00 52.31 H new ATOM 0 HD21 LEU A 4 -13.079 -9.609 7.997 1.00 64.45 H new ATOM 0 HD22 LEU A 4 -13.445 -10.883 6.810 1.00 64.45 H new ATOM 0 HD23 LEU A 4 -11.908 -10.917 7.706 1.00 64.45 H new ATOM 59 N SER A 5 -11.677 -10.912 2.098 1.00 10.21 N ATOM 60 CA SER A 5 -10.852 -11.032 0.912 1.00 72.51 C ATOM 61 C SER A 5 -10.044 -9.754 0.741 1.00 71.53 C ATOM 62 O SER A 5 -10.376 -8.735 1.350 1.00 61.43 O ATOM 63 CB SER A 5 -11.728 -11.337 -0.296 1.00 2.02 C ATOM 64 OG SER A 5 -12.490 -12.515 -0.083 1.00 62.13 O ATOM 0 H SER A 5 -12.227 -10.054 2.140 1.00 10.21 H new ATOM 0 HA SER A 5 -10.150 -11.859 1.012 1.00 72.51 H new ATOM 0 HB2 SER A 5 -12.395 -10.497 -0.488 1.00 2.02 H new ATOM 0 HB3 SER A 5 -11.104 -11.457 -1.182 1.00 2.02 H new ATOM 0 HG SER A 5 -13.046 -12.691 -0.870 1.00 62.13 H new ATOM 69 N THR A 6 -9.034 -9.773 -0.119 1.00 11.04 N ATOM 70 CA THR A 6 -8.138 -8.645 -0.311 1.00 53.11 C ATOM 71 C THR A 6 -8.917 -7.463 -0.874 1.00 31.41 C ATOM 72 O THR A 6 -8.749 -6.337 -0.396 1.00 25.14 O ATOM 73 CB THR A 6 -6.986 -9.089 -1.223 1.00 64.35 C ATOM 74 OG1 THR A 6 -6.307 -10.153 -0.582 1.00 61.55 O ATOM 75 CG2 THR A 6 -6.004 -7.952 -1.525 1.00 73.34 C ATOM 0 H THR A 6 -8.814 -10.578 -0.706 1.00 11.04 H new ATOM 0 HA THR A 6 -7.709 -8.316 0.635 1.00 53.11 H new ATOM 0 HB THR A 6 -7.402 -9.404 -2.180 1.00 64.35 H new ATOM 0 HG1 THR A 6 -6.161 -9.927 0.360 1.00 61.55 H new ATOM 0 HG21 THR A 6 -5.209 -8.320 -2.174 1.00 73.34 H new ATOM 0 HG22 THR A 6 -6.531 -7.139 -2.023 1.00 73.34 H new ATOM 0 HG23 THR A 6 -5.572 -7.587 -0.593 1.00 73.34 H new ATOM 83 N ASP A 7 -9.840 -7.706 -1.813 1.00 31.53 N ATOM 84 CA ASP A 7 -10.669 -6.635 -2.364 1.00 52.45 C ATOM 85 C ASP A 7 -11.500 -5.932 -1.276 1.00 41.43 C ATOM 86 O ASP A 7 -11.681 -4.712 -1.334 1.00 11.00 O ATOM 87 CB ASP A 7 -11.529 -7.120 -3.533 1.00 21.11 C ATOM 88 CG ASP A 7 -12.941 -7.568 -3.160 1.00 41.22 C ATOM 89 OD1 ASP A 7 -13.097 -8.544 -2.390 1.00 21.51 O ATOM 90 OD2 ASP A 7 -13.892 -6.958 -3.701 1.00 5.33 O ATOM 0 H ASP A 7 -10.028 -8.630 -2.203 1.00 31.53 H new ATOM 0 HA ASP A 7 -9.991 -5.884 -2.769 1.00 52.45 H new ATOM 0 HB2 ASP A 7 -11.602 -6.318 -4.267 1.00 21.11 H new ATOM 0 HB3 ASP A 7 -11.018 -7.951 -4.019 1.00 21.11 H new ATOM 94 N ILE A 8 -11.928 -6.666 -0.241 1.00 33.21 N ATOM 95 CA ILE A 8 -12.670 -6.138 0.902 1.00 11.11 C ATOM 96 C ILE A 8 -11.794 -5.170 1.697 1.00 64.24 C ATOM 97 O ILE A 8 -12.251 -4.085 2.062 1.00 14.32 O ATOM 98 CB ILE A 8 -13.207 -7.246 1.826 1.00 11.24 C ATOM 99 CG1 ILE A 8 -13.937 -8.367 1.077 1.00 34.32 C ATOM 100 CG2 ILE A 8 -14.125 -6.640 2.902 1.00 50.11 C ATOM 101 CD1 ILE A 8 -15.132 -7.949 0.228 1.00 53.34 C ATOM 0 H ILE A 8 -11.761 -7.670 -0.178 1.00 33.21 H new ATOM 0 HA ILE A 8 -13.535 -5.609 0.502 1.00 11.11 H new ATOM 0 HB ILE A 8 -12.337 -7.706 2.294 1.00 11.24 H new ATOM 0 HG12 ILE A 8 -13.218 -8.870 0.431 1.00 34.32 H new ATOM 0 HG13 ILE A 8 -14.277 -9.101 1.808 1.00 34.32 H new ATOM 0 HG21 ILE A 8 -14.499 -7.433 3.550 1.00 50.11 H new ATOM 0 HG22 ILE A 8 -13.563 -5.920 3.497 1.00 50.11 H new ATOM 0 HG23 ILE A 8 -14.965 -6.137 2.423 1.00 50.11 H new ATOM 0 HD11 ILE A 8 -15.563 -8.828 -0.251 1.00 53.34 H new ATOM 0 HD12 ILE A 8 -15.882 -7.477 0.863 1.00 53.34 H new ATOM 0 HD13 ILE A 8 -14.806 -7.243 -0.536 1.00 53.34 H new ATOM 112 N TRP A 9 -10.547 -5.555 1.994 1.00 73.41 N ATOM 113 CA TRP A 9 -9.658 -4.683 2.746 1.00 30.14 C ATOM 114 C TRP A 9 -9.404 -3.416 1.952 1.00 43.15 C ATOM 115 O TRP A 9 -9.614 -2.324 2.475 1.00 31.30 O ATOM 116 CB TRP A 9 -8.313 -5.335 3.045 1.00 45.02 C ATOM 117 CG TRP A 9 -8.297 -6.570 3.880 1.00 24.22 C ATOM 118 CD1 TRP A 9 -9.066 -6.839 4.956 1.00 50.14 C ATOM 119 CD2 TRP A 9 -7.438 -7.724 3.697 1.00 33.13 C ATOM 120 NE1 TRP A 9 -8.727 -8.082 5.459 1.00 21.53 N ATOM 121 CE2 TRP A 9 -7.758 -8.692 4.689 1.00 61.31 C ATOM 122 CE3 TRP A 9 -6.440 -8.044 2.760 1.00 73.15 C ATOM 123 CZ2 TRP A 9 -7.138 -9.947 4.725 1.00 72.33 C ATOM 124 CZ3 TRP A 9 -5.814 -9.304 2.779 1.00 35.23 C ATOM 125 CH2 TRP A 9 -6.172 -10.254 3.752 1.00 33.44 C ATOM 0 H TRP A 9 -10.142 -6.452 1.727 1.00 73.41 H new ATOM 0 HA TRP A 9 -10.151 -4.468 3.694 1.00 30.14 H new ATOM 0 HB2 TRP A 9 -7.839 -5.571 2.092 1.00 45.02 H new ATOM 0 HB3 TRP A 9 -7.686 -4.592 3.538 1.00 45.02 H new ATOM 0 HD1 TRP A 9 -9.826 -6.187 5.360 1.00 50.14 H new ATOM 0 HE1 TRP A 9 -9.141 -8.496 6.294 1.00 21.53 H new ATOM 0 HE3 TRP A 9 -6.151 -7.315 2.018 1.00 73.15 H new ATOM 0 HZ2 TRP A 9 -7.398 -10.666 5.487 1.00 72.33 H new ATOM 0 HZ3 TRP A 9 -5.058 -9.542 2.046 1.00 35.23 H new ATOM 0 HH2 TRP A 9 -5.701 -11.226 3.751 1.00 33.44 H new ATOM 135 N VAL A 10 -8.965 -3.561 0.699 1.00 21.23 N ATOM 136 CA VAL A 10 -8.626 -2.440 -0.167 1.00 64.23 C ATOM 137 C VAL A 10 -9.852 -1.530 -0.350 1.00 34.30 C ATOM 138 O VAL A 10 -9.691 -0.318 -0.528 1.00 5.44 O ATOM 139 CB VAL A 10 -8.016 -2.963 -1.486 1.00 71.55 C ATOM 140 CG1 VAL A 10 -7.702 -1.813 -2.451 1.00 50.12 C ATOM 141 CG2 VAL A 10 -6.706 -3.732 -1.225 1.00 4.21 C ATOM 0 H VAL A 10 -8.835 -4.471 0.257 1.00 21.23 H new ATOM 0 HA VAL A 10 -7.858 -1.816 0.290 1.00 64.23 H new ATOM 0 HB VAL A 10 -8.758 -3.626 -1.930 1.00 71.55 H new ATOM 0 HG11 VAL A 10 -7.274 -2.215 -3.369 1.00 50.12 H new ATOM 0 HG12 VAL A 10 -8.620 -1.273 -2.684 1.00 50.12 H new ATOM 0 HG13 VAL A 10 -6.989 -1.132 -1.986 1.00 50.12 H new ATOM 0 HG21 VAL A 10 -6.299 -4.089 -2.171 1.00 4.21 H new ATOM 0 HG22 VAL A 10 -5.985 -3.070 -0.746 1.00 4.21 H new ATOM 0 HG23 VAL A 10 -6.907 -4.582 -0.573 1.00 4.21 H new ATOM 151 N ALA A 11 -11.072 -2.069 -0.255 1.00 3.41 N ATOM 152 CA ALA A 11 -12.283 -1.270 -0.234 1.00 44.33 C ATOM 153 C ALA A 11 -12.331 -0.375 1.008 1.00 5.14 C ATOM 154 O ALA A 11 -12.357 0.849 0.878 1.00 14.44 O ATOM 155 CB ALA A 11 -13.533 -2.151 -0.359 1.00 23.54 C ATOM 0 H ALA A 11 -11.239 -3.073 -0.191 1.00 3.41 H new ATOM 0 HA ALA A 11 -12.269 -0.613 -1.103 1.00 44.33 H new ATOM 0 HB1 ALA A 11 -14.424 -1.523 -0.340 1.00 23.54 H new ATOM 0 HB2 ALA A 11 -13.497 -2.702 -1.299 1.00 23.54 H new ATOM 0 HB3 ALA A 11 -13.567 -2.854 0.473 1.00 23.54 H new ATOM 161 N ALA A 12 -12.330 -0.975 2.200 1.00 70.52 N ATOM 162 CA ALA A 12 -12.471 -0.271 3.472 1.00 61.35 C ATOM 163 C ALA A 12 -11.345 0.741 3.679 1.00 34.14 C ATOM 164 O ALA A 12 -11.556 1.866 4.120 1.00 1.43 O ATOM 165 CB ALA A 12 -12.490 -1.305 4.601 1.00 34.30 C ATOM 0 H ALA A 12 -12.229 -1.984 2.308 1.00 70.52 H new ATOM 0 HA ALA A 12 -13.404 0.292 3.470 1.00 61.35 H new ATOM 0 HB1 ALA A 12 -12.595 -0.796 5.559 1.00 34.30 H new ATOM 0 HB2 ALA A 12 -13.330 -1.985 4.458 1.00 34.30 H new ATOM 0 HB3 ALA A 12 -11.559 -1.872 4.591 1.00 34.30 H new ATOM 171 N LEU A 13 -10.129 0.323 3.367 1.00 64.55 N ATOM 172 CA LEU A 13 -8.900 1.081 3.288 1.00 65.21 C ATOM 173 C LEU A 13 -9.046 2.366 2.464 1.00 31.50 C ATOM 174 O LEU A 13 -8.768 3.442 2.999 1.00 62.11 O ATOM 175 CB LEU A 13 -7.836 0.115 2.763 1.00 1.40 C ATOM 176 CG LEU A 13 -6.498 0.794 2.509 1.00 33.40 C ATOM 177 CD1 LEU A 13 -5.922 1.373 3.809 1.00 25.12 C ATOM 178 CD2 LEU A 13 -5.538 -0.249 1.930 1.00 34.41 C ATOM 0 H LEU A 13 -9.967 -0.658 3.140 1.00 64.55 H new ATOM 0 HA LEU A 13 -8.604 1.458 4.267 1.00 65.21 H new ATOM 0 HB2 LEU A 13 -7.698 -0.692 3.482 1.00 1.40 H new ATOM 0 HB3 LEU A 13 -8.189 -0.340 1.837 1.00 1.40 H new ATOM 0 HG LEU A 13 -6.633 1.619 1.810 1.00 33.40 H new ATOM 0 HD11 LEU A 13 -4.966 1.853 3.601 1.00 25.12 H new ATOM 0 HD12 LEU A 13 -6.615 2.108 4.219 1.00 25.12 H new ATOM 0 HD13 LEU A 13 -5.776 0.570 4.531 1.00 25.12 H new ATOM 0 HD21 LEU A 13 -4.570 0.214 1.739 1.00 34.41 H new ATOM 0 HD22 LEU A 13 -5.416 -1.066 2.642 1.00 34.41 H new ATOM 0 HD23 LEU A 13 -5.944 -0.639 0.997 1.00 34.41 H new ATOM 189 N ILE A 14 -9.467 2.278 1.198 1.00 1.22 N ATOM 190 CA ILE A 14 -9.750 3.458 0.374 1.00 12.22 C ATOM 191 C ILE A 14 -10.826 4.319 1.019 1.00 25.30 C ATOM 192 O ILE A 14 -10.650 5.532 1.131 1.00 21.20 O ATOM 193 CB ILE A 14 -10.108 3.030 -1.070 1.00 24.23 C ATOM 194 CG1 ILE A 14 -8.838 2.612 -1.834 1.00 52.04 C ATOM 195 CG2 ILE A 14 -10.900 4.066 -1.892 1.00 71.52 C ATOM 196 CD1 ILE A 14 -7.891 3.782 -2.108 1.00 71.51 C ATOM 0 H ILE A 14 -9.621 1.392 0.717 1.00 1.22 H new ATOM 0 HA ILE A 14 -8.855 4.077 0.310 1.00 12.22 H new ATOM 0 HB ILE A 14 -10.785 2.184 -0.949 1.00 24.23 H new ATOM 0 HG12 ILE A 14 -8.309 1.851 -1.260 1.00 52.04 H new ATOM 0 HG13 ILE A 14 -9.125 2.155 -2.781 1.00 52.04 H new ATOM 0 HG21 ILE A 14 -11.098 3.667 -2.887 1.00 71.52 H new ATOM 0 HG22 ILE A 14 -11.844 4.282 -1.392 1.00 71.52 H new ATOM 0 HG23 ILE A 14 -10.318 4.983 -1.979 1.00 71.52 H new ATOM 0 HD11 ILE A 14 -7.016 3.423 -2.649 1.00 71.51 H new ATOM 0 HD12 ILE A 14 -8.405 4.533 -2.708 1.00 71.51 H new ATOM 0 HD13 ILE A 14 -7.577 4.225 -1.163 1.00 71.51 H new ATOM 207 N ARG A 15 -11.898 3.678 1.489 1.00 22.23 N ATOM 208 CA ARG A 15 -13.013 4.373 2.132 1.00 5.21 C ATOM 209 C ARG A 15 -12.485 5.255 3.252 1.00 32.24 C ATOM 210 O ARG A 15 -12.803 6.438 3.271 1.00 52.01 O ATOM 211 CB ARG A 15 -14.083 3.390 2.636 1.00 2.44 C ATOM 212 CG ARG A 15 -15.055 2.925 1.541 1.00 22.21 C ATOM 213 CD ARG A 15 -16.337 3.762 1.541 1.00 53.04 C ATOM 214 NE ARG A 15 -17.390 3.134 0.731 1.00 65.13 N ATOM 215 CZ ARG A 15 -18.704 3.275 0.910 1.00 14.24 C ATOM 216 NH1 ARG A 15 -19.155 4.184 1.766 1.00 61.44 N ATOM 217 NH2 ARG A 15 -19.554 2.511 0.234 1.00 31.31 N ATOM 0 H ARG A 15 -12.017 2.666 1.435 1.00 22.23 H new ATOM 0 HA ARG A 15 -13.503 5.006 1.392 1.00 5.21 H new ATOM 0 HB2 ARG A 15 -13.590 2.518 3.067 1.00 2.44 H new ATOM 0 HB3 ARG A 15 -14.651 3.863 3.437 1.00 2.44 H new ATOM 0 HG2 ARG A 15 -14.571 2.998 0.567 1.00 22.21 H new ATOM 0 HG3 ARG A 15 -15.304 1.875 1.695 1.00 22.21 H new ATOM 0 HD2 ARG A 15 -16.690 3.888 2.564 1.00 53.04 H new ATOM 0 HD3 ARG A 15 -16.123 4.758 1.153 1.00 53.04 H new ATOM 0 HE ARG A 15 -17.088 2.536 -0.038 1.00 65.13 H new ATOM 0 HH11 ARG A 15 -18.498 4.769 2.282 1.00 61.44 H new ATOM 0 HH12 ARG A 15 -20.159 4.297 1.908 1.00 61.44 H new ATOM 0 HH21 ARG A 15 -19.202 1.815 -0.423 1.00 31.31 H new ATOM 0 HH22 ARG A 15 -20.559 2.620 0.372 1.00 31.31 H new ATOM 228 N ARG A 16 -11.639 4.721 4.140 1.00 71.34 N ATOM 229 CA ARG A 16 -11.026 5.476 5.231 1.00 11.02 C ATOM 230 C ARG A 16 -10.343 6.730 4.697 1.00 44.43 C ATOM 231 O ARG A 16 -10.632 7.821 5.185 1.00 42.51 O ATOM 232 CB ARG A 16 -10.021 4.613 6.016 1.00 32.20 C ATOM 233 CG ARG A 16 -10.656 3.459 6.810 1.00 70.55 C ATOM 234 CD ARG A 16 -9.761 2.215 6.784 1.00 21.10 C ATOM 235 NE ARG A 16 -10.185 1.178 7.739 1.00 50.11 N ATOM 236 CZ ARG A 16 -10.035 -0.142 7.568 1.00 31.13 C ATOM 237 NH1 ARG A 16 -9.618 -0.620 6.400 1.00 5.03 N ATOM 238 NH2 ARG A 16 -10.282 -0.981 8.565 1.00 22.53 N ATOM 0 H ARG A 16 -11.359 3.740 4.118 1.00 71.34 H new ATOM 0 HA ARG A 16 -11.821 5.773 5.916 1.00 11.02 H new ATOM 0 HB2 ARG A 16 -9.293 4.200 5.318 1.00 32.20 H new ATOM 0 HB3 ARG A 16 -9.472 5.254 6.706 1.00 32.20 H new ATOM 0 HG2 ARG A 16 -10.821 3.771 7.841 1.00 70.55 H new ATOM 0 HG3 ARG A 16 -11.632 3.218 6.389 1.00 70.55 H new ATOM 0 HD2 ARG A 16 -9.761 1.796 5.778 1.00 21.10 H new ATOM 0 HD3 ARG A 16 -8.735 2.508 7.007 1.00 21.10 H new ATOM 0 HE ARG A 16 -10.630 1.490 8.602 1.00 50.11 H new ATOM 0 HH11 ARG A 16 -9.412 0.019 5.632 1.00 5.03 H new ATOM 0 HH12 ARG A 16 -9.504 -1.626 6.272 1.00 5.03 H new ATOM 0 HH21 ARG A 16 -10.588 -0.622 9.469 1.00 22.53 H new ATOM 0 HH22 ARG A 16 -10.166 -1.985 8.427 1.00 22.53 H new ATOM 249 N ALA A 17 -9.419 6.588 3.744 1.00 23.11 N ATOM 250 CA ALA A 17 -8.629 7.709 3.247 1.00 53.55 C ATOM 251 C ALA A 17 -9.535 8.822 2.731 1.00 33.24 C ATOM 252 O ALA A 17 -9.427 9.961 3.185 1.00 54.32 O ATOM 253 CB ALA A 17 -7.678 7.238 2.152 1.00 24.23 C ATOM 0 H ALA A 17 -9.201 5.696 3.299 1.00 23.11 H new ATOM 0 HA ALA A 17 -8.039 8.109 4.072 1.00 53.55 H new ATOM 0 HB1 ALA A 17 -7.094 8.084 1.789 1.00 24.23 H new ATOM 0 HB2 ALA A 17 -7.007 6.479 2.555 1.00 24.23 H new ATOM 0 HB3 ALA A 17 -8.253 6.814 1.329 1.00 24.23 H new ATOM 259 N GLU A 18 -10.435 8.475 1.813 1.00 52.21 N ATOM 260 CA GLU A 18 -11.369 9.415 1.218 1.00 44.15 C ATOM 261 C GLU A 18 -12.296 10.039 2.272 1.00 72.31 C ATOM 262 O GLU A 18 -12.591 11.228 2.200 1.00 30.40 O ATOM 263 CB GLU A 18 -12.200 8.698 0.159 1.00 53.02 C ATOM 264 CG GLU A 18 -11.541 8.578 -1.227 1.00 50.21 C ATOM 265 CD GLU A 18 -12.601 8.087 -2.221 1.00 64.45 C ATOM 266 OE1 GLU A 18 -13.586 8.813 -2.443 1.00 43.22 O ATOM 267 OE2 GLU A 18 -12.507 6.923 -2.699 1.00 50.45 O ATOM 0 H GLU A 18 -10.533 7.523 1.461 1.00 52.21 H new ATOM 0 HA GLU A 18 -10.795 10.222 0.762 1.00 44.15 H new ATOM 0 HB2 GLU A 18 -12.432 7.696 0.520 1.00 53.02 H new ATOM 0 HB3 GLU A 18 -13.148 9.224 0.048 1.00 53.02 H new ATOM 0 HG2 GLU A 18 -11.141 9.542 -1.543 1.00 50.21 H new ATOM 0 HG3 GLU A 18 -10.703 7.882 -1.190 1.00 50.21 H new ATOM 272 N LEU A 19 -12.754 9.281 3.274 1.00 65.35 N ATOM 273 CA LEU A 19 -13.597 9.795 4.359 1.00 1.12 C ATOM 274 C LEU A 19 -12.866 10.844 5.180 1.00 71.23 C ATOM 275 O LEU A 19 -13.473 11.797 5.658 1.00 73.01 O ATOM 276 CB LEU A 19 -14.049 8.648 5.280 1.00 22.11 C ATOM 277 CG LEU A 19 -15.515 8.277 5.046 1.00 72.31 C ATOM 278 CD1 LEU A 19 -15.877 7.906 3.603 1.00 53.41 C ATOM 279 CD2 LEU A 19 -15.901 7.088 5.929 1.00 30.44 C ATOM 0 H LEU A 19 -12.548 8.285 3.355 1.00 65.35 H new ATOM 0 HA LEU A 19 -14.470 10.260 3.901 1.00 1.12 H new ATOM 0 HB2 LEU A 19 -13.421 7.774 5.108 1.00 22.11 H new ATOM 0 HB3 LEU A 19 -13.910 8.941 6.321 1.00 22.11 H new ATOM 0 HG LEU A 19 -16.065 9.185 5.293 1.00 72.31 H new ATOM 0 HD11 LEU A 19 -16.937 7.660 3.546 1.00 53.41 H new ATOM 0 HD12 LEU A 19 -15.664 8.749 2.946 1.00 53.41 H new ATOM 0 HD13 LEU A 19 -15.287 7.044 3.290 1.00 53.41 H new ATOM 0 HD21 LEU A 19 -16.946 6.831 5.756 1.00 30.44 H new ATOM 0 HD22 LEU A 19 -15.271 6.233 5.684 1.00 30.44 H new ATOM 0 HD23 LEU A 19 -15.761 7.353 6.977 1.00 30.44 H new ATOM 290 N GLY A 20 -11.567 10.653 5.363 1.00 54.34 N ATOM 291 CA GLY A 20 -10.671 11.640 5.955 1.00 34.13 C ATOM 292 C GLY A 20 -10.412 12.832 5.026 1.00 13.43 C ATOM 293 O GLY A 20 -9.896 13.858 5.482 1.00 25.42 O ATOM 0 H GLY A 20 -11.095 9.788 5.098 1.00 54.34 H new ATOM 0 HA2 GLY A 20 -11.099 11.999 6.891 1.00 34.13 H new ATOM 0 HA3 GLY A 20 -9.722 11.163 6.201 1.00 34.13 H new ATOM 297 N GLY A 21 -10.749 12.724 3.742 1.00 21.32 N ATOM 298 CA GLY A 21 -10.570 13.755 2.736 1.00 3.53 C ATOM 299 C GLY A 21 -9.217 13.697 2.038 1.00 32.40 C ATOM 300 O GLY A 21 -8.879 14.648 1.327 1.00 12.11 O ATOM 0 H GLY A 21 -11.172 11.876 3.364 1.00 21.32 H new ATOM 0 HA2 GLY A 21 -11.359 13.663 1.989 1.00 3.53 H new ATOM 0 HA3 GLY A 21 -10.686 14.732 3.204 1.00 3.53 H new ATOM 304 N ALA A 22 -8.439 12.624 2.214 1.00 51.52 N ATOM 305 CA ALA A 22 -7.220 12.435 1.433 1.00 62.12 C ATOM 306 C ALA A 22 -7.602 12.162 -0.027 1.00 32.23 C ATOM 307 O ALA A 22 -8.770 11.888 -0.329 1.00 73.32 O ATOM 308 CB ALA A 22 -6.395 11.281 2.016 1.00 33.01 C ATOM 0 H ALA A 22 -8.632 11.881 2.885 1.00 51.52 H new ATOM 0 HA ALA A 22 -6.606 13.335 1.474 1.00 62.12 H new ATOM 0 HB1 ALA A 22 -5.488 11.148 1.426 1.00 33.01 H new ATOM 0 HB2 ALA A 22 -6.127 11.510 3.047 1.00 33.01 H new ATOM 0 HB3 ALA A 22 -6.983 10.364 1.989 1.00 33.01 H new ATOM 314 N PHE A 23 -6.625 12.206 -0.931 1.00 25.34 N ATOM 315 CA PHE A 23 -6.808 11.648 -2.263 1.00 4.51 C ATOM 316 C PHE A 23 -6.344 10.203 -2.195 1.00 3.13 C ATOM 317 O PHE A 23 -5.312 9.919 -1.586 1.00 51.24 O ATOM 318 CB PHE A 23 -6.044 12.470 -3.311 1.00 10.32 C ATOM 319 CG PHE A 23 -6.835 12.659 -4.583 1.00 25.30 C ATOM 320 CD1 PHE A 23 -7.824 13.659 -4.640 1.00 43.42 C ATOM 321 CD2 PHE A 23 -6.648 11.793 -5.678 1.00 22.00 C ATOM 322 CE1 PHE A 23 -8.613 13.802 -5.792 1.00 1.50 C ATOM 323 CE2 PHE A 23 -7.461 11.923 -6.818 1.00 62.35 C ATOM 324 CZ PHE A 23 -8.434 12.935 -6.882 1.00 45.24 C ATOM 0 H PHE A 23 -5.707 12.619 -0.765 1.00 25.34 H new ATOM 0 HA PHE A 23 -7.852 11.685 -2.575 1.00 4.51 H new ATOM 0 HB2 PHE A 23 -5.795 13.445 -2.893 1.00 10.32 H new ATOM 0 HB3 PHE A 23 -5.102 11.973 -3.543 1.00 10.32 H new ATOM 0 HD1 PHE A 23 -7.976 14.317 -3.797 1.00 43.42 H new ATOM 0 HD2 PHE A 23 -5.883 11.032 -5.642 1.00 22.00 H new ATOM 0 HE1 PHE A 23 -9.360 14.581 -5.840 1.00 1.50 H new ATOM 0 HE2 PHE A 23 -7.337 11.243 -7.647 1.00 62.35 H new ATOM 0 HZ PHE A 23 -9.043 13.046 -7.767 1.00 45.24 H new ATOM 333 N ALA A 24 -7.137 9.283 -2.732 1.00 33.32 N ATOM 334 CA ALA A 24 -6.932 7.865 -2.556 1.00 61.02 C ATOM 335 C ALA A 24 -7.577 7.103 -3.697 1.00 12.12 C ATOM 336 O ALA A 24 -8.741 7.353 -4.014 1.00 23.14 O ATOM 337 CB ALA A 24 -7.581 7.485 -1.231 1.00 4.02 C ATOM 0 H ALA A 24 -7.948 9.512 -3.307 1.00 33.32 H new ATOM 0 HA ALA A 24 -5.870 7.619 -2.551 1.00 61.02 H new ATOM 0 HB1 ALA A 24 -7.451 6.417 -1.055 1.00 4.02 H new ATOM 0 HB2 ALA A 24 -7.113 8.046 -0.422 1.00 4.02 H new ATOM 0 HB3 ALA A 24 -8.645 7.720 -1.266 1.00 4.02 H new ATOM 343 N THR A 25 -6.864 6.140 -4.277 1.00 31.44 N ATOM 344 CA THR A 25 -7.421 5.290 -5.310 1.00 25.13 C ATOM 345 C THR A 25 -6.681 3.955 -5.345 1.00 32.33 C ATOM 346 O THR A 25 -5.607 3.789 -4.752 1.00 52.14 O ATOM 347 CB THR A 25 -7.443 6.047 -6.644 1.00 33.51 C ATOM 348 OG1 THR A 25 -8.405 5.475 -7.495 1.00 70.21 O ATOM 349 CG2 THR A 25 -6.087 6.092 -7.338 1.00 41.14 C ATOM 0 H THR A 25 -5.893 5.933 -4.042 1.00 31.44 H new ATOM 0 HA THR A 25 -8.459 5.040 -5.092 1.00 25.13 H new ATOM 0 HB THR A 25 -7.704 7.081 -6.417 1.00 33.51 H new ATOM 0 HG1 THR A 25 -8.419 5.961 -8.346 1.00 70.21 H new ATOM 0 HG21 THR A 25 -6.176 6.642 -8.275 1.00 41.14 H new ATOM 0 HG22 THR A 25 -5.364 6.590 -6.692 1.00 41.14 H new ATOM 0 HG23 THR A 25 -5.750 5.076 -7.544 1.00 41.14 H new ATOM 357 N VAL A 26 -7.281 2.982 -6.023 1.00 43.03 N ATOM 358 CA VAL A 26 -6.604 1.748 -6.391 1.00 25.21 C ATOM 359 C VAL A 26 -6.000 1.985 -7.775 1.00 21.20 C ATOM 360 O VAL A 26 -6.615 2.627 -8.624 1.00 45.11 O ATOM 361 CB VAL A 26 -7.566 0.543 -6.393 1.00 23.20 C ATOM 362 CG1 VAL A 26 -6.787 -0.769 -6.244 1.00 10.32 C ATOM 363 CG2 VAL A 26 -8.586 0.576 -5.248 1.00 4.11 C ATOM 0 H VAL A 26 -8.252 3.029 -6.332 1.00 43.03 H new ATOM 0 HA VAL A 26 -5.831 1.501 -5.663 1.00 25.21 H new ATOM 0 HB VAL A 26 -8.092 0.602 -7.346 1.00 23.20 H new ATOM 0 HG11 VAL A 26 -7.483 -1.608 -6.248 1.00 10.32 H new ATOM 0 HG12 VAL A 26 -6.088 -0.874 -7.074 1.00 10.32 H new ATOM 0 HG13 VAL A 26 -6.235 -0.760 -5.304 1.00 10.32 H new ATOM 0 HG21 VAL A 26 -9.231 -0.301 -5.310 1.00 4.11 H new ATOM 0 HG22 VAL A 26 -8.061 0.574 -4.293 1.00 4.11 H new ATOM 0 HG23 VAL A 26 -9.192 1.478 -5.327 1.00 4.11 H new ATOM 373 N ALA A 27 -4.808 1.449 -8.009 1.00 42.15 N ATOM 374 CA ALA A 27 -4.063 1.568 -9.252 1.00 20.14 C ATOM 375 C ALA A 27 -3.677 0.183 -9.781 1.00 61.35 C ATOM 376 O ALA A 27 -2.690 0.056 -10.505 1.00 51.21 O ATOM 377 CB ALA A 27 -2.854 2.478 -9.014 1.00 14.42 C ATOM 0 H ALA A 27 -4.315 0.897 -7.307 1.00 42.15 H new ATOM 0 HA ALA A 27 -4.679 2.024 -10.027 1.00 20.14 H new ATOM 0 HB1 ALA A 27 -2.285 2.577 -9.939 1.00 14.42 H new ATOM 0 HB2 ALA A 27 -3.197 3.461 -8.692 1.00 14.42 H new ATOM 0 HB3 ALA A 27 -2.219 2.044 -8.242 1.00 14.42 H new ATOM 383 N ARG A 28 -4.388 -0.878 -9.380 1.00 1.40 N ATOM 384 CA ARG A 28 -4.347 -2.199 -10.017 1.00 20.33 C ATOM 385 C ARG A 28 -5.631 -2.948 -9.677 1.00 55.15 C ATOM 386 O ARG A 28 -6.459 -2.418 -8.935 1.00 23.14 O ATOM 387 CB ARG A 28 -3.097 -2.994 -9.616 1.00 72.25 C ATOM 388 CG ARG A 28 -2.336 -3.599 -10.806 1.00 23.34 C ATOM 389 CD ARG A 28 -1.640 -2.518 -11.634 1.00 52.12 C ATOM 390 NE ARG A 28 -0.790 -3.094 -12.682 1.00 32.31 N ATOM 391 CZ ARG A 28 0.305 -2.517 -13.179 1.00 54.25 C ATOM 392 NH1 ARG A 28 0.680 -1.309 -12.775 1.00 54.22 N ATOM 393 NH2 ARG A 28 1.006 -3.133 -14.116 1.00 54.32 N ATOM 0 H ARG A 28 -5.024 -0.840 -8.583 1.00 1.40 H new ATOM 0 HA ARG A 28 -4.282 -2.071 -11.097 1.00 20.33 H new ATOM 0 HB2 ARG A 28 -2.424 -2.339 -9.062 1.00 72.25 H new ATOM 0 HB3 ARG A 28 -3.390 -3.796 -8.939 1.00 72.25 H new ATOM 0 HG2 ARG A 28 -1.597 -4.312 -10.442 1.00 23.34 H new ATOM 0 HG3 ARG A 28 -3.029 -4.153 -11.439 1.00 23.34 H new ATOM 0 HD2 ARG A 28 -2.389 -1.871 -12.089 1.00 52.12 H new ATOM 0 HD3 ARG A 28 -1.034 -1.892 -10.978 1.00 52.12 H new ATOM 0 HE ARG A 28 -1.056 -4.004 -13.059 1.00 32.31 H new ATOM 0 HH11 ARG A 28 0.128 -0.811 -12.076 1.00 54.22 H new ATOM 0 HH12 ARG A 28 1.520 -0.879 -13.163 1.00 54.22 H new ATOM 0 HH21 ARG A 28 0.709 -4.047 -14.457 1.00 54.32 H new ATOM 0 HH22 ARG A 28 1.844 -2.694 -14.498 1.00 54.32 H new ATOM 404 N LYS A 29 -5.798 -4.179 -10.160 1.00 35.54 N ATOM 405 CA LYS A 29 -6.913 -5.025 -9.769 1.00 15.11 C ATOM 406 C LYS A 29 -6.447 -6.475 -9.788 1.00 12.24 C ATOM 407 O LYS A 29 -6.670 -7.183 -10.771 1.00 20.32 O ATOM 408 CB LYS A 29 -8.094 -4.760 -10.714 1.00 11.23 C ATOM 409 CG LYS A 29 -9.369 -5.489 -10.245 1.00 74.52 C ATOM 410 CD LYS A 29 -10.564 -4.553 -10.036 1.00 21.53 C ATOM 411 CE LYS A 29 -10.232 -3.436 -9.040 1.00 3.02 C ATOM 412 NZ LYS A 29 -11.440 -2.733 -8.581 1.00 31.11 N ATOM 0 H LYS A 29 -5.163 -4.612 -10.831 1.00 35.54 H new ATOM 0 HA LYS A 29 -7.256 -4.803 -8.758 1.00 15.11 H new ATOM 0 HB2 LYS A 29 -8.285 -3.688 -10.767 1.00 11.23 H new ATOM 0 HB3 LYS A 29 -7.836 -5.088 -11.721 1.00 11.23 H new ATOM 0 HG2 LYS A 29 -9.636 -6.248 -10.980 1.00 74.52 H new ATOM 0 HG3 LYS A 29 -9.158 -6.010 -9.311 1.00 74.52 H new ATOM 0 HD2 LYS A 29 -10.857 -4.116 -10.991 1.00 21.53 H new ATOM 0 HD3 LYS A 29 -11.417 -5.125 -9.672 1.00 21.53 H new ATOM 0 HE2 LYS A 29 -9.710 -3.858 -8.182 1.00 3.02 H new ATOM 0 HE3 LYS A 29 -9.553 -2.723 -9.507 1.00 3.02 H new ATOM 0 HZ1 LYS A 29 -11.173 -1.986 -7.909 1.00 31.11 H new ATOM 0 HZ2 LYS A 29 -11.925 -2.308 -9.397 1.00 31.11 H new ATOM 0 HZ3 LYS A 29 -12.077 -3.408 -8.112 1.00 31.11 H new ATOM 422 N GLY A 30 -5.769 -6.896 -8.725 1.00 75.12 N ATOM 423 CA GLY A 30 -5.292 -8.260 -8.609 1.00 53.22 C ATOM 424 C GLY A 30 -6.436 -9.222 -8.284 1.00 42.32 C ATOM 425 O GLY A 30 -7.614 -8.854 -8.295 1.00 33.30 O ATOM 0 H GLY A 30 -5.539 -6.303 -7.928 1.00 75.12 H new ATOM 0 HA2 GLY A 30 -4.814 -8.561 -9.541 1.00 53.22 H new ATOM 0 HA3 GLY A 30 -4.533 -8.317 -7.829 1.00 53.22 H new ATOM 429 N ASP A 31 -6.093 -10.475 -7.985 1.00 31.50 N ATOM 430 CA ASP A 31 -7.074 -11.524 -7.687 1.00 74.12 C ATOM 431 C ASP A 31 -7.773 -11.175 -6.381 1.00 2.43 C ATOM 432 O ASP A 31 -7.094 -11.143 -5.361 1.00 15.20 O ATOM 433 CB ASP A 31 -6.397 -12.901 -7.553 1.00 43.13 C ATOM 434 CG ASP A 31 -7.066 -13.933 -8.446 1.00 62.43 C ATOM 435 OD1 ASP A 31 -8.317 -14.021 -8.396 1.00 23.54 O ATOM 436 OD2 ASP A 31 -6.348 -14.619 -9.193 1.00 13.12 O ATOM 0 H ASP A 31 -5.125 -10.794 -7.942 1.00 31.50 H new ATOM 0 HA ASP A 31 -7.791 -11.580 -8.506 1.00 74.12 H new ATOM 0 HB2 ASP A 31 -5.343 -12.818 -7.816 1.00 43.13 H new ATOM 0 HB3 ASP A 31 -6.441 -13.231 -6.515 1.00 43.13 H new ATOM 440 N ALA A 32 -9.082 -10.919 -6.353 1.00 34.10 N ATOM 441 CA ALA A 32 -9.775 -10.416 -5.166 1.00 64.51 C ATOM 442 C ALA A 32 -9.547 -11.259 -3.905 1.00 23.24 C ATOM 443 O ALA A 32 -9.546 -10.701 -2.811 1.00 11.34 O ATOM 444 CB ALA A 32 -11.272 -10.276 -5.459 1.00 41.44 C ATOM 0 H ALA A 32 -9.694 -11.056 -7.157 1.00 34.10 H new ATOM 0 HA ALA A 32 -9.343 -9.440 -4.947 1.00 64.51 H new ATOM 0 HB1 ALA A 32 -11.783 -9.901 -4.572 1.00 41.44 H new ATOM 0 HB2 ALA A 32 -11.418 -9.578 -6.284 1.00 41.44 H new ATOM 0 HB3 ALA A 32 -11.682 -11.249 -5.730 1.00 41.44 H new ATOM 450 N ARG A 33 -9.345 -12.576 -4.032 1.00 14.02 N ATOM 451 CA ARG A 33 -8.960 -13.442 -2.912 1.00 31.30 C ATOM 452 C ARG A 33 -7.442 -13.513 -2.723 1.00 4.32 C ATOM 453 O ARG A 33 -6.988 -13.551 -1.580 1.00 11.22 O ATOM 454 CB ARG A 33 -9.467 -14.880 -3.103 1.00 62.23 C ATOM 455 CG ARG A 33 -10.991 -15.085 -3.100 1.00 13.13 C ATOM 456 CD ARG A 33 -11.603 -14.854 -4.483 1.00 23.53 C ATOM 457 NE ARG A 33 -12.894 -15.532 -4.660 1.00 71.11 N ATOM 458 CZ ARG A 33 -13.055 -16.772 -5.129 1.00 52.11 C ATOM 459 NH1 ARG A 33 -12.014 -17.585 -5.293 1.00 22.14 N ATOM 460 NH2 ARG A 33 -14.260 -17.223 -5.443 1.00 44.23 N ATOM 0 H ARG A 33 -9.444 -13.072 -4.918 1.00 14.02 H new ATOM 0 HA ARG A 33 -9.419 -12.991 -2.032 1.00 31.30 H new ATOM 0 HB2 ARG A 33 -9.076 -15.255 -4.049 1.00 62.23 H new ATOM 0 HB3 ARG A 33 -9.040 -15.498 -2.314 1.00 62.23 H new ATOM 0 HG2 ARG A 33 -11.220 -16.097 -2.767 1.00 13.13 H new ATOM 0 HG3 ARG A 33 -11.447 -14.402 -2.383 1.00 13.13 H new ATOM 0 HD2 ARG A 33 -11.736 -13.784 -4.641 1.00 23.53 H new ATOM 0 HD3 ARG A 33 -10.907 -15.205 -5.245 1.00 23.53 H new ATOM 0 HE ARG A 33 -13.735 -15.014 -4.404 1.00 71.11 H new ATOM 0 HH11 ARG A 33 -11.074 -17.264 -5.059 1.00 22.14 H new ATOM 0 HH12 ARG A 33 -12.156 -18.529 -5.652 1.00 22.14 H new ATOM 0 HH21 ARG A 33 -15.076 -16.622 -5.327 1.00 44.23 H new ATOM 0 HH22 ARG A 33 -14.372 -18.172 -5.800 1.00 44.23 H new ATOM 471 N ALA A 34 -6.678 -13.614 -3.816 1.00 31.23 N ATOM 472 CA ALA A 34 -5.367 -14.272 -3.831 1.00 23.43 C ATOM 473 C ALA A 34 -4.230 -13.438 -4.436 1.00 12.21 C ATOM 474 O ALA A 34 -3.067 -13.849 -4.382 1.00 73.31 O ATOM 475 CB ALA A 34 -5.502 -15.605 -4.582 1.00 15.44 C ATOM 0 H ALA A 34 -6.955 -13.238 -4.723 1.00 31.23 H new ATOM 0 HA ALA A 34 -5.080 -14.420 -2.790 1.00 23.43 H new ATOM 0 HB1 ALA A 34 -4.536 -16.110 -4.604 1.00 15.44 H new ATOM 0 HB2 ALA A 34 -6.230 -16.237 -4.074 1.00 15.44 H new ATOM 0 HB3 ALA A 34 -5.836 -15.416 -5.602 1.00 15.44 H new ATOM 481 N GLY A 35 -4.542 -12.279 -5.009 1.00 43.45 N ATOM 482 CA GLY A 35 -3.573 -11.276 -5.412 1.00 61.25 C ATOM 483 C GLY A 35 -2.773 -10.812 -4.200 1.00 54.03 C ATOM 484 O GLY A 35 -3.312 -10.810 -3.090 1.00 12.34 O ATOM 0 H GLY A 35 -5.505 -12.008 -5.210 1.00 43.45 H new ATOM 0 HA2 GLY A 35 -2.902 -11.688 -6.166 1.00 61.25 H new ATOM 0 HA3 GLY A 35 -4.083 -10.428 -5.869 1.00 61.25 H new ATOM 488 N ALA A 36 -1.527 -10.401 -4.414 1.00 75.31 N ATOM 489 CA ALA A 36 -0.746 -9.686 -3.399 1.00 22.23 C ATOM 490 C ALA A 36 -1.143 -8.204 -3.403 1.00 2.13 C ATOM 491 O ALA A 36 -1.930 -7.796 -4.261 1.00 40.34 O ATOM 492 CB ALA A 36 0.744 -9.857 -3.696 1.00 61.55 C ATOM 0 H ALA A 36 -1.028 -10.551 -5.291 1.00 75.31 H new ATOM 0 HA ALA A 36 -0.950 -10.094 -2.409 1.00 22.23 H new ATOM 0 HB1 ALA A 36 1.328 -9.327 -2.944 1.00 61.55 H new ATOM 0 HB2 ALA A 36 1.000 -10.916 -3.674 1.00 61.55 H new ATOM 0 HB3 ALA A 36 0.968 -9.450 -4.682 1.00 61.55 H new ATOM 498 N VAL A 37 -0.591 -7.366 -2.517 1.00 64.35 N ATOM 499 CA VAL A 37 -0.901 -5.933 -2.482 1.00 35.32 C ATOM 500 C VAL A 37 0.368 -5.113 -2.259 1.00 20.54 C ATOM 501 O VAL A 37 1.144 -5.427 -1.358 1.00 52.25 O ATOM 502 CB VAL A 37 -1.916 -5.649 -1.355 1.00 35.21 C ATOM 503 CG1 VAL A 37 -2.416 -4.195 -1.391 1.00 72.24 C ATOM 504 CG2 VAL A 37 -3.142 -6.561 -1.378 1.00 41.23 C ATOM 0 H VAL A 37 0.080 -7.661 -1.808 1.00 64.35 H new ATOM 0 HA VAL A 37 -1.333 -5.645 -3.440 1.00 35.32 H new ATOM 0 HB VAL A 37 -1.357 -5.845 -0.440 1.00 35.21 H new ATOM 0 HG11 VAL A 37 -3.129 -4.035 -0.582 1.00 72.24 H new ATOM 0 HG12 VAL A 37 -1.571 -3.517 -1.270 1.00 72.24 H new ATOM 0 HG13 VAL A 37 -2.903 -4.001 -2.347 1.00 72.24 H new ATOM 0 HG21 VAL A 37 -3.807 -6.298 -0.555 1.00 41.23 H new ATOM 0 HG22 VAL A 37 -3.669 -6.438 -2.324 1.00 41.23 H new ATOM 0 HG23 VAL A 37 -2.826 -7.599 -1.271 1.00 41.23 H new ATOM 514 N LEU A 38 0.540 -4.019 -3.010 1.00 72.53 N ATOM 515 CA LEU A 38 1.458 -2.925 -2.694 1.00 4.33 C ATOM 516 C LEU A 38 0.696 -1.695 -2.221 1.00 71.31 C ATOM 517 O LEU A 38 -0.476 -1.484 -2.542 1.00 40.03 O ATOM 518 CB LEU A 38 2.327 -2.523 -3.903 1.00 2.21 C ATOM 519 CG LEU A 38 3.606 -3.350 -4.095 1.00 20.41 C ATOM 520 CD1 LEU A 38 4.387 -2.790 -5.281 1.00 53.43 C ATOM 521 CD2 LEU A 38 4.541 -3.310 -2.885 1.00 33.24 C ATOM 0 H LEU A 38 0.028 -3.869 -3.879 1.00 72.53 H new ATOM 0 HA LEU A 38 2.108 -3.294 -1.901 1.00 4.33 H new ATOM 0 HB2 LEU A 38 1.723 -2.604 -4.807 1.00 2.21 H new ATOM 0 HB3 LEU A 38 2.604 -1.474 -3.797 1.00 2.21 H new ATOM 0 HG LEU A 38 3.286 -4.380 -4.249 1.00 20.41 H new ATOM 0 HD11 LEU A 38 5.297 -3.372 -5.424 1.00 53.43 H new ATOM 0 HD12 LEU A 38 3.774 -2.848 -6.180 1.00 53.43 H new ATOM 0 HD13 LEU A 38 4.648 -1.750 -5.086 1.00 53.43 H new ATOM 0 HD21 LEU A 38 5.425 -3.915 -3.088 1.00 33.24 H new ATOM 0 HD22 LEU A 38 4.843 -2.280 -2.692 1.00 33.24 H new ATOM 0 HD23 LEU A 38 4.023 -3.706 -2.012 1.00 33.24 H new ATOM 532 N VAL A 39 1.422 -0.861 -1.486 1.00 2.20 N ATOM 533 CA VAL A 39 1.007 0.362 -0.830 1.00 31.31 C ATOM 534 C VAL A 39 2.086 1.420 -1.041 1.00 64.22 C ATOM 535 O VAL A 39 3.253 1.111 -0.829 1.00 61.25 O ATOM 536 CB VAL A 39 0.820 -0.020 0.652 1.00 54.13 C ATOM 537 CG1 VAL A 39 0.820 1.209 1.550 1.00 72.14 C ATOM 538 CG2 VAL A 39 -0.518 -0.755 0.858 1.00 32.50 C ATOM 0 H VAL A 39 2.411 -1.047 -1.322 1.00 2.20 H new ATOM 0 HA VAL A 39 0.082 0.785 -1.222 1.00 31.31 H new ATOM 0 HB VAL A 39 1.656 -0.667 0.918 1.00 54.13 H new ATOM 0 HG11 VAL A 39 0.686 0.902 2.587 1.00 72.14 H new ATOM 0 HG12 VAL A 39 1.769 1.735 1.447 1.00 72.14 H new ATOM 0 HG13 VAL A 39 0.005 1.872 1.260 1.00 72.14 H new ATOM 0 HG21 VAL A 39 -0.631 -1.016 1.910 1.00 32.50 H new ATOM 0 HG22 VAL A 39 -1.340 -0.107 0.554 1.00 32.50 H new ATOM 0 HG23 VAL A 39 -0.531 -1.663 0.255 1.00 32.50 H new ATOM 548 N LYS A 40 1.754 2.671 -1.373 1.00 43.13 N ATOM 549 CA LYS A 40 2.773 3.714 -1.501 1.00 3.42 C ATOM 550 C LYS A 40 2.169 5.063 -1.095 1.00 0.30 C ATOM 551 O LYS A 40 1.191 5.526 -1.681 1.00 71.02 O ATOM 552 CB LYS A 40 3.326 3.645 -2.937 1.00 2.43 C ATOM 553 CG LYS A 40 4.184 4.814 -3.409 1.00 15.30 C ATOM 554 CD LYS A 40 3.436 5.767 -4.349 1.00 73.41 C ATOM 555 CE LYS A 40 4.451 6.766 -4.894 1.00 20.04 C ATOM 556 NZ LYS A 40 5.258 6.218 -6.001 1.00 43.21 N ATOM 0 H LYS A 40 0.800 2.983 -1.556 1.00 43.13 H new ATOM 0 HA LYS A 40 3.620 3.572 -0.829 1.00 3.42 H new ATOM 0 HB2 LYS A 40 3.917 2.734 -3.028 1.00 2.43 H new ATOM 0 HB3 LYS A 40 2.482 3.548 -3.620 1.00 2.43 H new ATOM 0 HG2 LYS A 40 4.537 5.372 -2.541 1.00 15.30 H new ATOM 0 HG3 LYS A 40 5.066 4.427 -3.920 1.00 15.30 H new ATOM 0 HD2 LYS A 40 2.968 5.213 -5.163 1.00 73.41 H new ATOM 0 HD3 LYS A 40 2.638 6.284 -3.815 1.00 73.41 H new ATOM 0 HE2 LYS A 40 3.927 7.657 -5.240 1.00 20.04 H new ATOM 0 HE3 LYS A 40 5.114 7.079 -4.088 1.00 20.04 H new ATOM 0 HZ1 LYS A 40 5.768 6.991 -6.474 1.00 43.21 H new ATOM 0 HZ2 LYS A 40 5.942 5.531 -5.625 1.00 43.21 H new ATOM 0 HZ3 LYS A 40 4.633 5.745 -6.685 1.00 43.21 H new ATOM 566 N ALA A 41 2.720 5.665 -0.036 1.00 53.34 N ATOM 567 CA ALA A 41 2.175 6.853 0.622 1.00 20.31 C ATOM 568 C ALA A 41 2.999 8.071 0.223 1.00 13.51 C ATOM 569 O ALA A 41 4.230 7.987 0.205 1.00 34.01 O ATOM 570 CB ALA A 41 2.240 6.679 2.153 1.00 35.32 C ATOM 0 H ALA A 41 3.580 5.329 0.397 1.00 53.34 H new ATOM 0 HA ALA A 41 1.138 6.989 0.317 1.00 20.31 H new ATOM 0 HB1 ALA A 41 1.833 7.566 2.638 1.00 35.32 H new ATOM 0 HB2 ALA A 41 1.656 5.806 2.445 1.00 35.32 H new ATOM 0 HB3 ALA A 41 3.277 6.541 2.460 1.00 35.32 H new ATOM 576 N VAL A 42 2.367 9.214 -0.033 1.00 22.03 N ATOM 577 CA VAL A 42 3.063 10.433 -0.436 1.00 1.53 C ATOM 578 C VAL A 42 2.921 11.462 0.699 1.00 13.13 C ATOM 579 O VAL A 42 1.807 11.705 1.174 1.00 52.53 O ATOM 580 CB VAL A 42 2.511 10.953 -1.787 1.00 23.04 C ATOM 581 CG1 VAL A 42 3.610 11.772 -2.465 1.00 35.03 C ATOM 582 CG2 VAL A 42 2.050 9.876 -2.787 1.00 3.13 C ATOM 0 H VAL A 42 1.355 9.321 0.033 1.00 22.03 H new ATOM 0 HA VAL A 42 4.123 10.238 -0.598 1.00 1.53 H new ATOM 0 HB VAL A 42 1.620 11.527 -1.533 1.00 23.04 H new ATOM 0 HG11 VAL A 42 3.245 12.150 -3.420 1.00 35.03 H new ATOM 0 HG12 VAL A 42 3.887 12.610 -1.825 1.00 35.03 H new ATOM 0 HG13 VAL A 42 4.482 11.141 -2.634 1.00 35.03 H new ATOM 0 HG21 VAL A 42 1.684 10.355 -3.695 1.00 3.13 H new ATOM 0 HG22 VAL A 42 2.889 9.225 -3.033 1.00 3.13 H new ATOM 0 HG23 VAL A 42 1.251 9.284 -2.341 1.00 3.13 H new ATOM 592 N ASP A 43 4.034 12.039 1.168 1.00 23.42 N ATOM 593 CA ASP A 43 4.024 13.152 2.123 1.00 62.25 C ATOM 594 C ASP A 43 4.123 14.474 1.375 1.00 24.00 C ATOM 595 O ASP A 43 5.195 14.883 0.917 1.00 40.14 O ATOM 596 CB ASP A 43 5.148 13.051 3.160 1.00 13.42 C ATOM 597 CG ASP A 43 4.926 14.040 4.309 1.00 64.41 C ATOM 598 OD1 ASP A 43 4.806 15.247 4.033 1.00 45.54 O ATOM 599 OD2 ASP A 43 4.841 13.590 5.478 1.00 53.33 O ATOM 0 H ASP A 43 4.971 11.745 0.894 1.00 23.42 H new ATOM 0 HA ASP A 43 3.082 13.101 2.668 1.00 62.25 H new ATOM 0 HB2 ASP A 43 5.194 12.036 3.553 1.00 13.42 H new ATOM 0 HB3 ASP A 43 6.107 13.252 2.683 1.00 13.42 H new ATOM 603 N ARG A 44 2.985 15.125 1.172 1.00 30.13 N ATOM 604 CA ARG A 44 2.911 16.366 0.407 1.00 25.13 C ATOM 605 C ARG A 44 3.173 17.587 1.282 1.00 30.31 C ATOM 606 O ARG A 44 3.267 18.682 0.733 1.00 53.13 O ATOM 607 CB ARG A 44 1.533 16.442 -0.265 1.00 65.22 C ATOM 608 CG ARG A 44 1.340 15.311 -1.293 1.00 10.52 C ATOM 609 CD ARG A 44 1.854 15.720 -2.678 1.00 45.52 C ATOM 610 NE ARG A 44 0.802 16.433 -3.408 1.00 4.50 N ATOM 611 CZ ARG A 44 0.923 17.521 -4.168 1.00 41.52 C ATOM 612 NH1 ARG A 44 2.110 17.995 -4.515 1.00 61.32 N ATOM 613 NH2 ARG A 44 -0.165 18.163 -4.564 1.00 71.41 N ATOM 0 H ARG A 44 2.085 14.808 1.533 1.00 30.13 H new ATOM 0 HA ARG A 44 3.690 16.366 -0.355 1.00 25.13 H new ATOM 0 HB2 ARG A 44 0.753 16.381 0.494 1.00 65.22 H new ATOM 0 HB3 ARG A 44 1.422 17.407 -0.760 1.00 65.22 H new ATOM 0 HG2 ARG A 44 1.867 14.418 -0.957 1.00 10.52 H new ATOM 0 HG3 ARG A 44 0.283 15.052 -1.357 1.00 10.52 H new ATOM 0 HD2 ARG A 44 2.734 16.356 -2.576 1.00 45.52 H new ATOM 0 HD3 ARG A 44 2.162 14.836 -3.237 1.00 45.52 H new ATOM 0 HE ARG A 44 -0.139 16.049 -3.324 1.00 4.50 H new ATOM 0 HH11 ARG A 44 2.959 17.525 -4.200 1.00 61.32 H new ATOM 0 HH12 ARG A 44 2.175 18.830 -5.098 1.00 61.32 H new ATOM 0 HH21 ARG A 44 -1.086 17.824 -4.287 1.00 71.41 H new ATOM 0 HH22 ARG A 44 -0.082 18.997 -5.146 1.00 71.41 H new ATOM 624 N ARG A 45 3.246 17.476 2.612 1.00 44.15 N ATOM 625 CA ARG A 45 3.694 18.577 3.448 1.00 44.14 C ATOM 626 C ARG A 45 5.192 18.725 3.266 1.00 33.02 C ATOM 627 O ARG A 45 5.649 19.773 2.811 1.00 32.14 O ATOM 628 CB ARG A 45 3.331 18.289 4.919 1.00 25.23 C ATOM 629 CG ARG A 45 1.993 18.948 5.237 1.00 34.00 C ATOM 630 CD ARG A 45 1.625 18.696 6.707 1.00 11.22 C ATOM 631 NE ARG A 45 0.567 19.588 7.211 1.00 63.35 N ATOM 632 CZ ARG A 45 0.659 20.892 7.496 1.00 34.31 C ATOM 633 NH1 ARG A 45 1.785 21.563 7.309 1.00 73.45 N ATOM 634 NH2 ARG A 45 -0.393 21.539 7.980 1.00 12.21 N ATOM 0 H ARG A 45 2.999 16.631 3.127 1.00 44.15 H new ATOM 0 HA ARG A 45 3.205 19.509 3.164 1.00 44.14 H new ATOM 0 HB2 ARG A 45 3.271 17.214 5.089 1.00 25.23 H new ATOM 0 HB3 ARG A 45 4.107 18.674 5.581 1.00 25.23 H new ATOM 0 HG2 ARG A 45 2.050 20.020 5.046 1.00 34.00 H new ATOM 0 HG3 ARG A 45 1.216 18.549 4.585 1.00 34.00 H new ATOM 0 HD2 ARG A 45 1.301 17.661 6.819 1.00 11.22 H new ATOM 0 HD3 ARG A 45 2.516 18.819 7.322 1.00 11.22 H new ATOM 0 HE ARG A 45 -0.347 19.160 7.361 1.00 63.35 H new ATOM 0 HH11 ARG A 45 2.608 21.086 6.940 1.00 73.45 H new ATOM 0 HH12 ARG A 45 1.830 22.557 7.534 1.00 73.45 H new ATOM 0 HH21 ARG A 45 -1.270 21.042 8.134 1.00 12.21 H new ATOM 0 HH22 ARG A 45 -0.324 22.533 8.198 1.00 12.21 H new ATOM 645 N GLU A 46 5.933 17.716 3.709 1.00 10.33 N ATOM 646 CA GLU A 46 7.376 17.752 3.830 1.00 20.23 C ATOM 647 C GLU A 46 8.025 17.638 2.463 1.00 72.11 C ATOM 648 O GLU A 46 9.120 18.175 2.284 1.00 14.52 O ATOM 649 CB GLU A 46 7.847 16.605 4.729 1.00 34.31 C ATOM 650 CG GLU A 46 7.184 16.643 6.115 1.00 71.41 C ATOM 651 CD GLU A 46 8.208 16.445 7.221 1.00 42.23 C ATOM 652 OE1 GLU A 46 8.633 15.297 7.479 1.00 61.35 O ATOM 653 OE2 GLU A 46 8.659 17.442 7.833 1.00 35.11 O ATOM 0 H GLU A 46 5.529 16.826 4.001 1.00 10.33 H new ATOM 0 HA GLU A 46 7.668 18.703 4.275 1.00 20.23 H new ATOM 0 HB2 GLU A 46 7.624 15.653 4.247 1.00 34.31 H new ATOM 0 HB3 GLU A 46 8.930 16.657 4.845 1.00 34.31 H new ATOM 0 HG2 GLU A 46 6.677 17.598 6.252 1.00 71.41 H new ATOM 0 HG3 GLU A 46 6.422 15.866 6.178 1.00 71.41 H new ATOM 658 N GLY A 47 7.358 16.960 1.524 1.00 21.34 N ATOM 659 CA GLY A 47 7.929 16.617 0.241 1.00 72.43 C ATOM 660 C GLY A 47 8.769 15.352 0.366 1.00 43.25 C ATOM 661 O GLY A 47 9.924 15.347 -0.065 1.00 0.10 O ATOM 0 H GLY A 47 6.398 16.636 1.645 1.00 21.34 H new ATOM 0 HA2 GLY A 47 7.135 16.466 -0.491 1.00 72.43 H new ATOM 0 HA3 GLY A 47 8.546 17.439 -0.123 1.00 72.43 H new ATOM 665 N THR A 48 8.214 14.299 0.971 1.00 63.24 N ATOM 666 CA THR A 48 8.825 12.975 1.019 1.00 63.34 C ATOM 667 C THR A 48 7.849 11.922 0.474 1.00 71.12 C ATOM 668 O THR A 48 6.733 12.246 0.048 1.00 71.11 O ATOM 669 CB THR A 48 9.362 12.676 2.438 1.00 3.14 C ATOM 670 OG1 THR A 48 8.413 12.898 3.464 1.00 14.33 O ATOM 671 CG2 THR A 48 10.585 13.535 2.753 1.00 74.31 C ATOM 0 H THR A 48 7.313 14.347 1.448 1.00 63.24 H new ATOM 0 HA THR A 48 9.697 12.940 0.366 1.00 63.34 H new ATOM 0 HB THR A 48 9.614 11.616 2.422 1.00 3.14 H new ATOM 0 HG1 THR A 48 8.816 12.689 4.333 1.00 14.33 H new ATOM 0 HG21 THR A 48 10.943 13.305 3.757 1.00 74.31 H new ATOM 0 HG22 THR A 48 11.373 13.325 2.030 1.00 74.31 H new ATOM 0 HG23 THR A 48 10.313 14.589 2.697 1.00 74.31 H new ATOM 679 N ALA A 49 8.277 10.660 0.455 1.00 22.32 N ATOM 680 CA ALA A 49 7.507 9.508 0.020 1.00 23.13 C ATOM 681 C ALA A 49 7.838 8.294 0.902 1.00 63.25 C ATOM 682 O ALA A 49 8.901 8.244 1.536 1.00 34.01 O ATOM 683 CB ALA A 49 7.848 9.249 -1.454 1.00 4.33 C ATOM 0 H ALA A 49 9.217 10.407 0.759 1.00 22.32 H new ATOM 0 HA ALA A 49 6.437 9.691 0.116 1.00 23.13 H new ATOM 0 HB1 ALA A 49 7.284 8.387 -1.812 1.00 4.33 H new ATOM 0 HB2 ALA A 49 7.587 10.125 -2.047 1.00 4.33 H new ATOM 0 HB3 ALA A 49 8.915 9.050 -1.551 1.00 4.33 H new ATOM 689 N ARG A 50 6.940 7.300 0.902 1.00 12.24 N ATOM 690 CA ARG A 50 7.103 5.963 1.502 1.00 51.21 C ATOM 691 C ARG A 50 6.598 4.910 0.529 1.00 75.43 C ATOM 692 O ARG A 50 5.836 5.225 -0.380 1.00 62.42 O ATOM 693 CB ARG A 50 6.283 5.761 2.792 1.00 14.32 C ATOM 694 CG ARG A 50 6.446 6.830 3.863 1.00 40.31 C ATOM 695 CD ARG A 50 7.792 6.729 4.590 1.00 35.40 C ATOM 696 NE ARG A 50 8.279 8.055 4.982 1.00 23.43 N ATOM 697 CZ ARG A 50 7.771 8.897 5.881 1.00 34.02 C ATOM 698 NH1 ARG A 50 6.745 8.545 6.644 1.00 12.51 N ATOM 699 NH2 ARG A 50 8.313 10.107 5.988 1.00 43.14 N ATOM 0 H ARG A 50 6.028 7.410 0.459 1.00 12.24 H new ATOM 0 HA ARG A 50 8.165 5.873 1.731 1.00 51.21 H new ATOM 0 HB2 ARG A 50 5.228 5.703 2.523 1.00 14.32 H new ATOM 0 HB3 ARG A 50 6.555 4.798 3.224 1.00 14.32 H new ATOM 0 HG2 ARG A 50 6.356 7.815 3.406 1.00 40.31 H new ATOM 0 HG3 ARG A 50 5.637 6.740 4.588 1.00 40.31 H new ATOM 0 HD2 ARG A 50 7.685 6.101 5.474 1.00 35.40 H new ATOM 0 HD3 ARG A 50 8.524 6.246 3.942 1.00 35.40 H new ATOM 0 HE ARG A 50 9.120 8.376 4.502 1.00 23.43 H new ATOM 0 HH11 ARG A 50 6.332 7.617 6.548 1.00 12.51 H new ATOM 0 HH12 ARG A 50 6.368 9.202 7.327 1.00 12.51 H new ATOM 0 HH21 ARG A 50 9.097 10.369 5.390 1.00 43.14 H new ATOM 0 HH22 ARG A 50 7.945 10.773 6.668 1.00 43.14 H new ATOM 710 N LEU A 51 6.919 3.646 0.795 1.00 11.50 N ATOM 711 CA LEU A 51 6.512 2.499 -0.018 1.00 52.13 C ATOM 712 C LEU A 51 6.410 1.300 0.912 1.00 31.04 C ATOM 713 O LEU A 51 7.412 0.985 1.559 1.00 73.44 O ATOM 714 CB LEU A 51 7.578 2.248 -1.098 1.00 0.11 C ATOM 715 CG LEU A 51 7.055 1.696 -2.433 1.00 35.00 C ATOM 716 CD1 LEU A 51 8.262 1.471 -3.341 1.00 40.14 C ATOM 717 CD2 LEU A 51 6.291 0.372 -2.383 1.00 75.13 C ATOM 0 H LEU A 51 7.484 3.383 1.602 1.00 11.50 H new ATOM 0 HA LEU A 51 5.556 2.677 -0.510 1.00 52.13 H new ATOM 0 HB2 LEU A 51 8.100 3.185 -1.293 1.00 0.11 H new ATOM 0 HB3 LEU A 51 8.315 1.550 -0.700 1.00 0.11 H new ATOM 0 HG LEU A 51 6.338 2.439 -2.782 1.00 35.00 H new ATOM 0 HD11 LEU A 51 7.927 1.078 -4.301 1.00 40.14 H new ATOM 0 HD12 LEU A 51 8.781 2.417 -3.497 1.00 40.14 H new ATOM 0 HD13 LEU A 51 8.941 0.757 -2.874 1.00 40.14 H new ATOM 0 HD21 LEU A 51 5.978 0.095 -3.389 1.00 75.13 H new ATOM 0 HD22 LEU A 51 6.937 -0.406 -1.977 1.00 75.13 H new ATOM 0 HD23 LEU A 51 5.413 0.483 -1.747 1.00 75.13 H new ATOM 728 N PHE A 52 5.240 0.666 1.022 1.00 64.24 N ATOM 729 CA PHE A 52 5.100 -0.572 1.789 1.00 1.51 C ATOM 730 C PHE A 52 4.763 -1.769 0.901 1.00 33.20 C ATOM 731 O PHE A 52 4.073 -1.653 -0.112 1.00 74.51 O ATOM 732 CB PHE A 52 4.079 -0.469 2.933 1.00 42.25 C ATOM 733 CG PHE A 52 4.103 0.786 3.784 1.00 1.52 C ATOM 734 CD1 PHE A 52 5.322 1.374 4.137 1.00 72.43 C ATOM 735 CD2 PHE A 52 2.903 1.375 4.220 1.00 73.02 C ATOM 736 CE1 PHE A 52 5.350 2.600 4.821 1.00 74.44 C ATOM 737 CE2 PHE A 52 2.921 2.596 4.917 1.00 11.10 C ATOM 738 CZ PHE A 52 4.148 3.221 5.200 1.00 31.31 C ATOM 0 H PHE A 52 4.376 0.991 0.589 1.00 64.24 H new ATOM 0 HA PHE A 52 6.080 -0.733 2.237 1.00 1.51 H new ATOM 0 HB2 PHE A 52 3.082 -0.564 2.503 1.00 42.25 H new ATOM 0 HB3 PHE A 52 4.225 -1.325 3.592 1.00 42.25 H new ATOM 0 HD1 PHE A 52 6.249 0.881 3.882 1.00 72.43 H new ATOM 0 HD2 PHE A 52 1.961 0.886 4.018 1.00 73.02 H new ATOM 0 HE1 PHE A 52 6.296 3.066 5.056 1.00 74.44 H new ATOM 0 HE2 PHE A 52 1.995 3.052 5.234 1.00 11.10 H new ATOM 0 HZ PHE A 52 4.167 4.175 5.707 1.00 31.31 H new ATOM 747 N SER A 53 5.196 -2.946 1.346 1.00 75.11 N ATOM 748 CA SER A 53 4.978 -4.238 0.724 1.00 74.51 C ATOM 749 C SER A 53 4.576 -5.218 1.818 1.00 55.23 C ATOM 750 O SER A 53 5.048 -5.100 2.949 1.00 34.22 O ATOM 751 CB SER A 53 6.276 -4.634 0.007 1.00 12.03 C ATOM 752 OG SER A 53 6.169 -5.806 -0.772 1.00 74.44 O ATOM 0 H SER A 53 5.742 -3.021 2.204 1.00 75.11 H new ATOM 0 HA SER A 53 4.180 -4.226 -0.018 1.00 74.51 H new ATOM 0 HB2 SER A 53 6.589 -3.811 -0.635 1.00 12.03 H new ATOM 0 HB3 SER A 53 7.061 -4.775 0.750 1.00 12.03 H new ATOM 0 HG SER A 53 7.031 -5.995 -1.199 1.00 74.44 H new ATOM 757 N GLU A 54 3.671 -6.140 1.504 1.00 1.32 N ATOM 758 CA GLU A 54 3.239 -7.165 2.434 1.00 20.20 C ATOM 759 C GLU A 54 4.334 -8.226 2.564 1.00 63.53 C ATOM 760 O GLU A 54 4.998 -8.568 1.583 1.00 43.44 O ATOM 761 CB GLU A 54 1.869 -7.735 2.030 1.00 31.13 C ATOM 762 CG GLU A 54 1.857 -8.596 0.769 1.00 55.24 C ATOM 763 CD GLU A 54 0.548 -9.367 0.642 1.00 4.32 C ATOM 764 OE1 GLU A 54 0.323 -10.352 1.392 1.00 54.44 O ATOM 765 OE2 GLU A 54 -0.280 -8.981 -0.206 1.00 72.41 O ATOM 0 H GLU A 54 3.218 -6.193 0.592 1.00 1.32 H new ATOM 0 HA GLU A 54 3.091 -6.734 3.424 1.00 20.20 H new ATOM 0 HB2 GLU A 54 1.485 -8.331 2.858 1.00 31.13 H new ATOM 0 HB3 GLU A 54 1.178 -6.904 1.887 1.00 31.13 H new ATOM 0 HG2 GLU A 54 1.997 -7.964 -0.108 1.00 55.24 H new ATOM 0 HG3 GLU A 54 2.693 -9.295 0.794 1.00 55.24 H new ATOM 770 N ALA A 55 4.509 -8.766 3.766 1.00 73.55 N ATOM 771 CA ALA A 55 5.291 -9.954 4.083 1.00 53.15 C ATOM 772 C ALA A 55 4.591 -10.637 5.257 1.00 42.13 C ATOM 773 O ALA A 55 3.671 -10.054 5.836 1.00 73.44 O ATOM 774 CB ALA A 55 6.719 -9.551 4.459 1.00 53.14 C ATOM 0 H ALA A 55 4.081 -8.359 4.597 1.00 73.55 H new ATOM 0 HA ALA A 55 5.357 -10.630 3.231 1.00 53.15 H new ATOM 0 HB1 ALA A 55 7.299 -10.443 4.695 1.00 53.14 H new ATOM 0 HB2 ALA A 55 7.182 -9.028 3.622 1.00 53.14 H new ATOM 0 HB3 ALA A 55 6.695 -8.894 5.328 1.00 53.14 H new ATOM 780 N THR A 56 5.022 -11.832 5.655 1.00 32.12 N ATOM 781 CA THR A 56 4.409 -12.566 6.759 1.00 20.21 C ATOM 782 C THR A 56 5.504 -13.162 7.648 1.00 35.40 C ATOM 783 O THR A 56 6.599 -13.477 7.172 1.00 71.45 O ATOM 784 CB THR A 56 3.444 -13.659 6.239 1.00 61.51 C ATOM 785 OG1 THR A 56 3.416 -13.805 4.830 1.00 14.33 O ATOM 786 CG2 THR A 56 2.004 -13.401 6.691 1.00 42.01 C ATOM 0 H THR A 56 5.806 -12.319 5.221 1.00 32.12 H new ATOM 0 HA THR A 56 3.813 -11.875 7.355 1.00 20.21 H new ATOM 0 HB THR A 56 3.844 -14.576 6.671 1.00 61.51 H new ATOM 0 HG1 THR A 56 2.785 -14.514 4.587 1.00 14.33 H new ATOM 0 HG21 THR A 56 1.356 -14.189 6.307 1.00 42.01 H new ATOM 0 HG22 THR A 56 1.960 -13.394 7.780 1.00 42.01 H new ATOM 0 HG23 THR A 56 1.670 -12.437 6.308 1.00 42.01 H new ATOM 794 N ARG A 57 5.227 -13.294 8.955 1.00 71.51 N ATOM 795 CA ARG A 57 6.146 -13.909 9.927 1.00 72.41 C ATOM 796 C ARG A 57 6.250 -15.442 9.777 1.00 51.24 C ATOM 797 O ARG A 57 6.111 -15.974 8.675 1.00 72.41 O ATOM 798 CB ARG A 57 5.951 -13.351 11.351 1.00 55.13 C ATOM 799 CG ARG A 57 4.552 -13.491 11.944 1.00 14.23 C ATOM 800 CD ARG A 57 4.520 -13.291 13.467 1.00 12.34 C ATOM 801 NE ARG A 57 5.054 -11.991 13.916 1.00 75.43 N ATOM 802 CZ ARG A 57 4.735 -11.363 15.059 1.00 75.31 C ATOM 803 NH1 ARG A 57 3.780 -11.825 15.862 1.00 22.12 N ATOM 804 NH2 ARG A 57 5.371 -10.243 15.384 1.00 72.33 N ATOM 0 H ARG A 57 4.352 -12.974 9.370 1.00 71.51 H new ATOM 0 HA ARG A 57 7.159 -13.593 9.680 1.00 72.41 H new ATOM 0 HB2 ARG A 57 6.656 -13.852 12.015 1.00 55.13 H new ATOM 0 HB3 ARG A 57 6.216 -12.294 11.344 1.00 55.13 H new ATOM 0 HG2 ARG A 57 3.890 -12.763 11.474 1.00 14.23 H new ATOM 0 HG3 ARG A 57 4.160 -14.480 11.705 1.00 14.23 H new ATOM 0 HD2 ARG A 57 3.491 -13.388 13.814 1.00 12.34 H new ATOM 0 HD3 ARG A 57 5.092 -14.089 13.939 1.00 12.34 H new ATOM 0 HE ARG A 57 5.725 -11.528 13.303 1.00 75.43 H new ATOM 0 HH11 ARG A 57 3.272 -12.674 15.614 1.00 22.12 H new ATOM 0 HH12 ARG A 57 3.556 -11.330 16.725 1.00 22.12 H new ATOM 0 HH21 ARG A 57 6.093 -9.869 14.768 1.00 72.33 H new ATOM 0 HH22 ARG A 57 5.138 -9.757 16.250 1.00 72.33 H new ATOM 815 N GLY A 58 6.578 -16.186 10.835 1.00 64.24 N ATOM 816 CA GLY A 58 6.373 -17.639 10.871 1.00 72.51 C ATOM 817 C GLY A 58 4.967 -18.036 11.333 1.00 35.51 C ATOM 818 O GLY A 58 4.625 -19.217 11.346 1.00 71.42 O ATOM 0 H GLY A 58 6.990 -15.804 11.686 1.00 64.24 H new ATOM 0 HA2 GLY A 58 6.552 -18.050 9.877 1.00 72.51 H new ATOM 0 HA3 GLY A 58 7.109 -18.087 11.539 1.00 72.51 H new ATOM 822 N ASP A 59 4.157 -17.062 11.749 1.00 64.35 N ATOM 823 CA ASP A 59 2.958 -17.258 12.570 1.00 41.11 C ATOM 824 C ASP A 59 1.664 -16.929 11.823 1.00 51.24 C ATOM 825 O ASP A 59 0.574 -16.982 12.389 1.00 60.22 O ATOM 826 CB ASP A 59 3.072 -16.366 13.809 1.00 20.32 C ATOM 827 CG ASP A 59 2.607 -17.094 15.059 1.00 32.34 C ATOM 828 OD1 ASP A 59 3.359 -17.986 15.494 1.00 52.15 O ATOM 829 OD2 ASP A 59 1.543 -16.747 15.619 1.00 73.54 O ATOM 0 H ASP A 59 4.321 -16.082 11.517 1.00 64.35 H new ATOM 0 HA ASP A 59 2.905 -18.313 12.840 1.00 41.11 H new ATOM 0 HB2 ASP A 59 4.106 -16.046 13.935 1.00 20.32 H new ATOM 0 HB3 ASP A 59 2.475 -15.465 13.667 1.00 20.32 H new ATOM 833 N GLY A 60 1.780 -16.534 10.561 1.00 51.33 N ATOM 834 CA GLY A 60 0.731 -15.882 9.802 1.00 0.40 C ATOM 835 C GLY A 60 0.356 -14.572 10.473 1.00 4.43 C ATOM 836 O GLY A 60 -0.804 -14.415 10.849 1.00 63.25 O ATOM 0 H GLY A 60 2.637 -16.665 10.024 1.00 51.33 H new ATOM 0 HA2 GLY A 60 1.068 -15.697 8.782 1.00 0.40 H new ATOM 0 HA3 GLY A 60 -0.142 -16.532 9.736 1.00 0.40 H new ATOM 840 N GLU A 61 1.302 -13.633 10.621 1.00 0.30 N ATOM 841 CA GLU A 61 0.948 -12.252 10.889 1.00 62.13 C ATOM 842 C GLU A 61 1.548 -11.471 9.735 1.00 64.54 C ATOM 843 O GLU A 61 2.769 -11.512 9.547 1.00 74.44 O ATOM 844 CB GLU A 61 1.467 -11.800 12.262 1.00 1.11 C ATOM 845 CG GLU A 61 0.591 -10.655 12.758 1.00 24.13 C ATOM 846 CD GLU A 61 1.002 -10.125 14.135 1.00 35.14 C ATOM 847 OE1 GLU A 61 0.874 -10.877 15.130 1.00 15.24 O ATOM 848 OE2 GLU A 61 1.378 -8.938 14.252 1.00 13.02 O ATOM 0 H GLU A 61 2.304 -13.812 10.559 1.00 0.30 H new ATOM 0 HA GLU A 61 -0.129 -12.095 10.946 1.00 62.13 H new ATOM 0 HB2 GLU A 61 1.441 -12.630 12.968 1.00 1.11 H new ATOM 0 HB3 GLU A 61 2.505 -11.477 12.187 1.00 1.11 H new ATOM 0 HG2 GLU A 61 0.630 -9.839 12.037 1.00 24.13 H new ATOM 0 HG3 GLU A 61 -0.445 -10.992 12.801 1.00 24.13 H new ATOM 853 N ARG A 62 0.698 -10.882 8.893 1.00 2.12 N ATOM 854 CA ARG A 62 1.172 -10.026 7.820 1.00 4.31 C ATOM 855 C ARG A 62 1.737 -8.764 8.457 1.00 24.44 C ATOM 856 O ARG A 62 1.139 -8.240 9.401 1.00 40.41 O ATOM 857 CB ARG A 62 0.035 -9.719 6.834 1.00 3.21 C ATOM 858 CG ARG A 62 0.507 -9.048 5.533 1.00 34.11 C ATOM 859 CD ARG A 62 -0.680 -8.608 4.663 1.00 72.22 C ATOM 860 NE ARG A 62 -1.157 -9.647 3.747 1.00 33.51 N ATOM 861 CZ ARG A 62 -2.229 -10.425 3.896 1.00 31.11 C ATOM 862 NH1 ARG A 62 -2.961 -10.406 5.009 1.00 31.32 N ATOM 863 NH2 ARG A 62 -2.558 -11.252 2.915 1.00 73.41 N ATOM 0 H ARG A 62 -0.316 -10.985 8.938 1.00 2.12 H new ATOM 0 HA ARG A 62 1.953 -10.519 7.241 1.00 4.31 H new ATOM 0 HB2 ARG A 62 -0.480 -10.647 6.587 1.00 3.21 H new ATOM 0 HB3 ARG A 62 -0.693 -9.071 7.323 1.00 3.21 H new ATOM 0 HG2 ARG A 62 1.125 -8.182 5.772 1.00 34.11 H new ATOM 0 HG3 ARG A 62 1.134 -9.741 4.972 1.00 34.11 H new ATOM 0 HD2 ARG A 62 -1.501 -8.303 5.312 1.00 72.22 H new ATOM 0 HD3 ARG A 62 -0.389 -7.731 4.084 1.00 72.22 H new ATOM 0 HE ARG A 62 -0.607 -9.791 2.900 1.00 33.51 H new ATOM 0 HH11 ARG A 62 -2.706 -9.784 5.776 1.00 31.32 H new ATOM 0 HH12 ARG A 62 -3.776 -11.013 5.094 1.00 31.32 H new ATOM 0 HH21 ARG A 62 -1.995 -11.285 2.065 1.00 73.41 H new ATOM 0 HH22 ARG A 62 -3.375 -11.856 3.009 1.00 73.41 H new ATOM 874 N PHE A 63 2.832 -8.255 7.913 1.00 11.41 N ATOM 875 CA PHE A 63 3.400 -6.957 8.244 1.00 33.22 C ATOM 876 C PHE A 63 3.644 -6.198 6.941 1.00 63.14 C ATOM 877 O PHE A 63 3.870 -6.808 5.891 1.00 35.52 O ATOM 878 CB PHE A 63 4.642 -7.090 9.135 1.00 12.01 C ATOM 879 CG PHE A 63 5.834 -7.832 8.562 1.00 60.43 C ATOM 880 CD1 PHE A 63 5.866 -9.240 8.578 1.00 34.21 C ATOM 881 CD2 PHE A 63 6.954 -7.115 8.099 1.00 42.03 C ATOM 882 CE1 PHE A 63 7.011 -9.925 8.133 1.00 15.10 C ATOM 883 CE2 PHE A 63 8.109 -7.806 7.690 1.00 72.22 C ATOM 884 CZ PHE A 63 8.132 -9.208 7.688 1.00 51.44 C ATOM 0 H PHE A 63 3.369 -8.753 7.203 1.00 11.41 H new ATOM 0 HA PHE A 63 2.702 -6.376 8.847 1.00 33.22 H new ATOM 0 HB2 PHE A 63 4.969 -6.087 9.409 1.00 12.01 H new ATOM 0 HB3 PHE A 63 4.344 -7.591 10.056 1.00 12.01 H new ATOM 0 HD1 PHE A 63 5.010 -9.795 8.933 1.00 34.21 H new ATOM 0 HD2 PHE A 63 6.926 -6.036 8.058 1.00 42.03 H new ATOM 0 HE1 PHE A 63 7.027 -11.005 8.134 1.00 15.10 H new ATOM 0 HE2 PHE A 63 8.982 -7.254 7.376 1.00 72.22 H new ATOM 0 HZ PHE A 63 9.010 -9.735 7.345 1.00 51.44 H new ATOM 893 N TRP A 64 3.586 -4.872 7.009 1.00 20.22 N ATOM 894 CA TRP A 64 3.872 -3.970 5.906 1.00 41.15 C ATOM 895 C TRP A 64 5.328 -3.541 6.046 1.00 43.31 C ATOM 896 O TRP A 64 5.632 -2.695 6.882 1.00 0.00 O ATOM 897 CB TRP A 64 2.928 -2.764 5.982 1.00 44.25 C ATOM 898 CG TRP A 64 1.510 -2.994 5.586 1.00 34.12 C ATOM 899 CD1 TRP A 64 0.423 -2.926 6.390 1.00 12.01 C ATOM 900 CD2 TRP A 64 1.015 -3.307 4.256 1.00 64.51 C ATOM 901 NE1 TRP A 64 -0.703 -3.212 5.647 1.00 35.20 N ATOM 902 CE2 TRP A 64 -0.394 -3.477 4.333 1.00 35.34 C ATOM 903 CE3 TRP A 64 1.621 -3.494 2.997 1.00 44.05 C ATOM 904 CZ2 TRP A 64 -1.162 -3.870 3.232 1.00 40.34 C ATOM 905 CZ3 TRP A 64 0.863 -3.858 1.873 1.00 35.10 C ATOM 906 CH2 TRP A 64 -0.524 -4.056 1.996 1.00 14.33 C ATOM 0 H TRP A 64 3.329 -4.381 7.866 1.00 20.22 H new ATOM 0 HA TRP A 64 3.719 -4.450 4.939 1.00 41.15 H new ATOM 0 HB2 TRP A 64 2.938 -2.389 7.005 1.00 44.25 H new ATOM 0 HB3 TRP A 64 3.334 -1.975 5.349 1.00 44.25 H new ATOM 0 HD1 TRP A 64 0.436 -2.686 7.443 1.00 12.01 H new ATOM 0 HE1 TRP A 64 -1.650 -3.225 6.026 1.00 35.20 H new ATOM 0 HE3 TRP A 64 2.687 -3.355 2.895 1.00 44.05 H new ATOM 0 HZ2 TRP A 64 -2.226 -4.027 3.331 1.00 40.34 H new ATOM 0 HZ3 TRP A 64 1.344 -3.986 0.915 1.00 35.10 H new ATOM 0 HH2 TRP A 64 -1.102 -4.353 1.133 1.00 14.33 H new ATOM 916 N MET A 65 6.246 -4.141 5.300 1.00 73.31 N ATOM 917 CA MET A 65 7.646 -3.741 5.333 1.00 53.33 C ATOM 918 C MET A 65 7.971 -2.694 4.276 1.00 23.13 C ATOM 919 O MET A 65 7.182 -2.459 3.360 1.00 43.13 O ATOM 920 CB MET A 65 8.540 -4.966 5.205 1.00 21.53 C ATOM 921 CG MET A 65 8.418 -5.714 3.867 1.00 55.14 C ATOM 922 SD MET A 65 10.004 -5.970 3.031 1.00 60.42 S ATOM 923 CE MET A 65 10.883 -6.873 4.331 1.00 41.03 C ATOM 0 H MET A 65 6.044 -4.910 4.662 1.00 73.31 H new ATOM 0 HA MET A 65 7.839 -3.269 6.297 1.00 53.33 H new ATOM 0 HB2 MET A 65 9.577 -4.658 5.340 1.00 21.53 H new ATOM 0 HB3 MET A 65 8.305 -5.657 6.015 1.00 21.53 H new ATOM 0 HG2 MET A 65 7.949 -6.682 4.043 1.00 55.14 H new ATOM 0 HG3 MET A 65 7.755 -5.155 3.207 1.00 55.14 H new ATOM 0 HE1 MET A 65 11.665 -7.486 3.883 1.00 41.03 H new ATOM 0 HE2 MET A 65 11.332 -6.164 5.027 1.00 41.03 H new ATOM 0 HE3 MET A 65 10.182 -7.513 4.867 1.00 41.03 H new ATOM 931 N GLN A 66 9.163 -2.102 4.371 1.00 32.22 N ATOM 932 CA GLN A 66 9.665 -1.096 3.449 1.00 44.22 C ATOM 933 C GLN A 66 10.881 -1.671 2.702 1.00 32.31 C ATOM 934 O GLN A 66 12.022 -1.401 3.094 1.00 24.31 O ATOM 935 CB GLN A 66 10.015 0.185 4.227 1.00 52.15 C ATOM 936 CG GLN A 66 8.821 0.939 4.842 1.00 53.11 C ATOM 937 CD GLN A 66 9.198 2.172 5.662 1.00 61.43 C ATOM 938 OE1 GLN A 66 8.380 2.798 6.332 1.00 32.21 O ATOM 939 NE2 GLN A 66 10.438 2.593 5.587 1.00 22.30 N ATOM 0 H GLN A 66 9.822 -2.321 5.118 1.00 32.22 H new ATOM 0 HA GLN A 66 8.907 -0.833 2.711 1.00 44.22 H new ATOM 0 HB2 GLN A 66 10.708 -0.076 5.027 1.00 52.15 H new ATOM 0 HB3 GLN A 66 10.543 0.863 3.556 1.00 52.15 H new ATOM 0 HG2 GLN A 66 8.150 1.245 4.040 1.00 53.11 H new ATOM 0 HG3 GLN A 66 8.264 0.252 5.479 1.00 53.11 H new ATOM 0 HE21 GLN A 66 11.120 2.076 5.032 1.00 22.30 H new ATOM 0 HE22 GLN A 66 10.721 3.438 6.084 1.00 22.30 H new ATOM 946 N PRO A 67 10.677 -2.446 1.620 1.00 43.14 N ATOM 947 CA PRO A 67 11.764 -3.118 0.913 1.00 32.11 C ATOM 948 C PRO A 67 12.682 -2.145 0.169 1.00 2.20 C ATOM 949 O PRO A 67 13.842 -2.473 -0.068 1.00 23.44 O ATOM 950 CB PRO A 67 11.089 -4.088 -0.064 1.00 42.42 C ATOM 951 CG PRO A 67 9.723 -3.449 -0.303 1.00 34.50 C ATOM 952 CD PRO A 67 9.396 -2.833 1.052 1.00 34.31 C ATOM 0 HA PRO A 67 12.413 -3.632 1.622 1.00 32.11 H new ATOM 0 HB2 PRO A 67 11.655 -4.186 -0.990 1.00 42.42 H new ATOM 0 HB3 PRO A 67 10.997 -5.088 0.360 1.00 42.42 H new ATOM 0 HG2 PRO A 67 9.761 -2.697 -1.091 1.00 34.50 H new ATOM 0 HG3 PRO A 67 8.978 -4.187 -0.602 1.00 34.50 H new ATOM 0 HD2 PRO A 67 8.738 -1.971 0.943 1.00 34.31 H new ATOM 0 HD3 PRO A 67 8.881 -3.548 1.694 1.00 34.31 H new ATOM 957 N VAL A 68 12.194 -0.968 -0.231 1.00 55.55 N ATOM 958 CA VAL A 68 12.998 -0.016 -0.988 1.00 23.02 C ATOM 959 C VAL A 68 13.879 0.761 -0.016 1.00 35.30 C ATOM 960 O VAL A 68 13.498 1.805 0.523 1.00 22.41 O ATOM 961 CB VAL A 68 12.131 0.882 -1.889 1.00 20.04 C ATOM 962 CG1 VAL A 68 12.998 1.900 -2.644 1.00 12.33 C ATOM 963 CG2 VAL A 68 11.423 0.011 -2.928 1.00 40.32 C ATOM 0 H VAL A 68 11.242 -0.654 -0.040 1.00 55.55 H new ATOM 0 HA VAL A 68 13.649 -0.549 -1.681 1.00 23.02 H new ATOM 0 HB VAL A 68 11.415 1.409 -1.258 1.00 20.04 H new ATOM 0 HG11 VAL A 68 12.363 2.523 -3.274 1.00 12.33 H new ATOM 0 HG12 VAL A 68 13.527 2.529 -1.928 1.00 12.33 H new ATOM 0 HG13 VAL A 68 13.720 1.372 -3.267 1.00 12.33 H new ATOM 0 HG21 VAL A 68 10.806 0.640 -3.571 1.00 40.32 H new ATOM 0 HG22 VAL A 68 12.165 -0.509 -3.533 1.00 40.32 H new ATOM 0 HG23 VAL A 68 10.792 -0.719 -2.421 1.00 40.32 H new ATOM 973 N ARG A 69 15.105 0.278 0.164 1.00 35.31 N ATOM 974 CA ARG A 69 16.158 0.950 0.918 1.00 44.14 C ATOM 975 C ARG A 69 16.756 2.028 0.008 1.00 41.53 C ATOM 976 O ARG A 69 17.905 1.957 -0.428 1.00 74.34 O ATOM 977 CB ARG A 69 17.157 -0.119 1.390 1.00 15.44 C ATOM 978 CG ARG A 69 18.036 0.185 2.616 1.00 22.31 C ATOM 979 CD ARG A 69 18.711 1.564 2.701 1.00 23.42 C ATOM 980 NE ARG A 69 17.834 2.581 3.310 1.00 42.42 N ATOM 981 CZ ARG A 69 17.627 2.755 4.623 1.00 40.44 C ATOM 982 NH1 ARG A 69 18.219 1.985 5.530 1.00 12.53 N ATOM 983 NH2 ARG A 69 16.813 3.723 5.010 1.00 71.31 N ATOM 0 H ARG A 69 15.402 -0.618 -0.222 1.00 35.31 H new ATOM 0 HA ARG A 69 15.802 1.455 1.816 1.00 44.14 H new ATOM 0 HB2 ARG A 69 16.594 -1.027 1.604 1.00 15.44 H new ATOM 0 HB3 ARG A 69 17.820 -0.344 0.555 1.00 15.44 H new ATOM 0 HG2 ARG A 69 17.420 0.060 3.507 1.00 22.31 H new ATOM 0 HG3 ARG A 69 18.819 -0.572 2.661 1.00 22.31 H new ATOM 0 HD2 ARG A 69 19.628 1.482 3.285 1.00 23.42 H new ATOM 0 HD3 ARG A 69 18.998 1.888 1.701 1.00 23.42 H new ATOM 0 HE ARG A 69 17.340 3.209 2.675 1.00 42.42 H new ATOM 0 HH11 ARG A 69 18.849 1.240 5.233 1.00 12.53 H new ATOM 0 HH12 ARG A 69 18.044 2.139 6.523 1.00 12.53 H new ATOM 0 HH21 ARG A 69 16.360 4.316 4.315 1.00 71.31 H new ATOM 0 HH22 ARG A 69 16.639 3.876 6.003 1.00 71.31 H new ATOM 994 N SER A 70 15.951 3.025 -0.327 1.00 4.13 N ATOM 995 CA SER A 70 16.312 4.228 -1.061 1.00 72.22 C ATOM 996 C SER A 70 15.448 5.382 -0.547 1.00 53.24 C ATOM 997 O SER A 70 14.498 5.164 0.211 1.00 3.40 O ATOM 998 CB SER A 70 16.119 3.999 -2.569 1.00 40.23 C ATOM 999 OG SER A 70 16.513 5.130 -3.321 1.00 34.41 O ATOM 0 H SER A 70 14.962 3.014 -0.076 1.00 4.13 H new ATOM 0 HA SER A 70 17.362 4.476 -0.904 1.00 72.22 H new ATOM 0 HB2 SER A 70 16.700 3.132 -2.883 1.00 40.23 H new ATOM 0 HB3 SER A 70 15.072 3.772 -2.772 1.00 40.23 H new ATOM 0 HG SER A 70 16.824 4.843 -4.205 1.00 34.41 H new ATOM 1004 N THR A 71 15.789 6.604 -0.933 1.00 75.42 N ATOM 1005 CA THR A 71 15.095 7.847 -0.614 1.00 1.54 C ATOM 1006 C THR A 71 14.725 8.604 -1.906 1.00 55.15 C ATOM 1007 O THR A 71 14.046 9.632 -1.831 1.00 24.22 O ATOM 1008 CB THR A 71 15.951 8.686 0.372 1.00 4.22 C ATOM 1009 OG1 THR A 71 17.304 8.247 0.425 1.00 41.32 O ATOM 1010 CG2 THR A 71 15.421 8.535 1.797 1.00 15.51 C ATOM 0 H THR A 71 16.611 6.765 -1.515 1.00 75.42 H new ATOM 0 HA THR A 71 14.153 7.632 -0.110 1.00 1.54 H new ATOM 0 HB THR A 71 15.895 9.712 0.010 1.00 4.22 H new ATOM 0 HG1 THR A 71 17.804 8.805 1.057 1.00 41.32 H new ATOM 0 HG21 THR A 71 16.031 9.129 2.477 1.00 15.51 H new ATOM 0 HG22 THR A 71 14.388 8.881 1.840 1.00 15.51 H new ATOM 0 HG23 THR A 71 15.465 7.487 2.092 1.00 15.51 H new ATOM 1018 N PHE A 72 15.119 8.097 -3.084 1.00 61.12 N ATOM 1019 CA PHE A 72 14.807 8.706 -4.370 1.00 55.22 C ATOM 1020 C PHE A 72 13.335 8.528 -4.716 1.00 63.41 C ATOM 1021 O PHE A 72 12.837 7.406 -4.674 1.00 1.23 O ATOM 1022 CB PHE A 72 15.685 8.079 -5.466 1.00 21.44 C ATOM 1023 CG PHE A 72 17.022 8.762 -5.673 1.00 20.01 C ATOM 1024 CD1 PHE A 72 17.063 10.134 -5.980 1.00 54.12 C ATOM 1025 CD2 PHE A 72 18.224 8.038 -5.577 1.00 64.45 C ATOM 1026 CE1 PHE A 72 18.294 10.790 -6.147 1.00 43.52 C ATOM 1027 CE2 PHE A 72 19.459 8.693 -5.738 1.00 1.30 C ATOM 1028 CZ PHE A 72 19.491 10.071 -6.015 1.00 35.31 C ATOM 0 H PHE A 72 15.670 7.242 -3.163 1.00 61.12 H new ATOM 0 HA PHE A 72 15.013 9.774 -4.305 1.00 55.22 H new ATOM 0 HB2 PHE A 72 15.861 7.033 -5.217 1.00 21.44 H new ATOM 0 HB3 PHE A 72 15.135 8.094 -6.407 1.00 21.44 H new ATOM 0 HD1 PHE A 72 16.142 10.687 -6.088 1.00 54.12 H new ATOM 0 HD2 PHE A 72 18.199 6.977 -5.379 1.00 64.45 H new ATOM 0 HE1 PHE A 72 18.319 11.845 -6.376 1.00 43.52 H new ATOM 0 HE2 PHE A 72 20.381 8.138 -5.649 1.00 1.30 H new ATOM 0 HZ PHE A 72 20.439 10.577 -6.126 1.00 35.31 H new ATOM 1037 N GLU A 73 12.685 9.607 -5.145 1.00 73.12 N ATOM 1038 CA GLU A 73 11.333 9.586 -5.674 1.00 12.50 C ATOM 1039 C GLU A 73 11.123 8.490 -6.726 1.00 73.03 C ATOM 1040 O GLU A 73 10.152 7.748 -6.575 1.00 43.13 O ATOM 1041 CB GLU A 73 10.952 10.951 -6.269 1.00 31.00 C ATOM 1042 CG GLU A 73 11.449 12.181 -5.516 1.00 35.14 C ATOM 1043 CD GLU A 73 10.903 13.466 -6.131 1.00 61.11 C ATOM 1044 OE1 GLU A 73 11.371 13.865 -7.222 1.00 33.34 O ATOM 1045 OE2 GLU A 73 9.948 14.057 -5.587 1.00 74.42 O ATOM 0 H GLU A 73 13.098 10.540 -5.132 1.00 73.12 H new ATOM 0 HA GLU A 73 10.682 9.362 -4.829 1.00 12.50 H new ATOM 0 HB2 GLU A 73 11.333 10.998 -7.289 1.00 31.00 H new ATOM 0 HB3 GLU A 73 9.865 11.005 -6.332 1.00 31.00 H new ATOM 0 HG2 GLU A 73 11.145 12.118 -4.471 1.00 35.14 H new ATOM 0 HG3 GLU A 73 12.539 12.203 -5.530 1.00 35.14 H new ATOM 1050 N PRO A 74 11.941 8.375 -7.798 1.00 4.52 N ATOM 1051 CA PRO A 74 11.714 7.353 -8.805 1.00 61.33 C ATOM 1052 C PRO A 74 11.830 5.925 -8.273 1.00 20.12 C ATOM 1053 O PRO A 74 11.144 5.050 -8.791 1.00 42.32 O ATOM 1054 CB PRO A 74 12.731 7.609 -9.921 1.00 52.44 C ATOM 1055 CG PRO A 74 13.872 8.287 -9.174 1.00 73.21 C ATOM 1056 CD PRO A 74 13.108 9.160 -8.182 1.00 23.32 C ATOM 0 HA PRO A 74 10.687 7.426 -9.163 1.00 61.33 H new ATOM 0 HB2 PRO A 74 13.052 6.683 -10.399 1.00 52.44 H new ATOM 0 HB3 PRO A 74 12.322 8.247 -10.705 1.00 52.44 H new ATOM 0 HG2 PRO A 74 14.520 7.567 -8.673 1.00 73.21 H new ATOM 0 HG3 PRO A 74 14.504 8.877 -9.838 1.00 73.21 H new ATOM 0 HD2 PRO A 74 13.723 9.400 -7.315 1.00 23.32 H new ATOM 0 HD3 PRO A 74 12.814 10.106 -8.636 1.00 23.32 H new ATOM 1061 N ASP A 75 12.651 5.666 -7.254 1.00 42.41 N ATOM 1062 CA ASP A 75 12.858 4.316 -6.726 1.00 42.54 C ATOM 1063 C ASP A 75 11.604 3.833 -5.997 1.00 14.33 C ATOM 1064 O ASP A 75 11.361 2.628 -5.881 1.00 32.31 O ATOM 1065 CB ASP A 75 14.070 4.288 -5.777 1.00 40.24 C ATOM 1066 CG ASP A 75 15.419 4.350 -6.497 1.00 1.30 C ATOM 1067 OD1 ASP A 75 15.471 4.238 -7.743 1.00 12.34 O ATOM 1068 OD2 ASP A 75 16.459 4.494 -5.808 1.00 3.12 O ATOM 0 H ASP A 75 13.191 6.385 -6.772 1.00 42.41 H new ATOM 0 HA ASP A 75 13.057 3.645 -7.562 1.00 42.54 H new ATOM 0 HB2 ASP A 75 13.998 5.128 -5.086 1.00 40.24 H new ATOM 0 HB3 ASP A 75 14.030 3.378 -5.178 1.00 40.24 H new ATOM 1072 N LEU A 76 10.795 4.783 -5.520 1.00 52.23 N ATOM 1073 CA LEU A 76 9.581 4.549 -4.753 1.00 35.31 C ATOM 1074 C LEU A 76 8.342 4.491 -5.649 1.00 44.33 C ATOM 1075 O LEU A 76 7.255 4.167 -5.174 1.00 33.44 O ATOM 1076 CB LEU A 76 9.435 5.646 -3.688 1.00 15.44 C ATOM 1077 CG LEU A 76 10.604 5.731 -2.685 1.00 2.23 C ATOM 1078 CD1 LEU A 76 10.515 7.048 -1.923 1.00 21.03 C ATOM 1079 CD2 LEU A 76 10.632 4.581 -1.672 1.00 0.11 C ATOM 0 H LEU A 76 10.981 5.775 -5.667 1.00 52.23 H new ATOM 0 HA LEU A 76 9.663 3.577 -4.266 1.00 35.31 H new ATOM 0 HB2 LEU A 76 9.334 6.609 -4.189 1.00 15.44 H new ATOM 0 HB3 LEU A 76 8.511 5.476 -3.135 1.00 15.44 H new ATOM 0 HG LEU A 76 11.520 5.664 -3.271 1.00 2.23 H new ATOM 0 HD11 LEU A 76 11.339 7.114 -1.212 1.00 21.03 H new ATOM 0 HD12 LEU A 76 10.574 7.879 -2.625 1.00 21.03 H new ATOM 0 HD13 LEU A 76 9.568 7.094 -1.386 1.00 21.03 H new ATOM 0 HD21 LEU A 76 11.481 4.708 -1.000 1.00 0.11 H new ATOM 0 HD22 LEU A 76 9.708 4.583 -1.094 1.00 0.11 H new ATOM 0 HD23 LEU A 76 10.727 3.633 -2.201 1.00 0.11 H new ATOM 1090 N ASP A 77 8.490 4.776 -6.940 1.00 22.00 N ATOM 1091 CA ASP A 77 7.450 4.550 -7.953 1.00 2.20 C ATOM 1092 C ASP A 77 7.797 3.337 -8.808 1.00 23.22 C ATOM 1093 O ASP A 77 6.991 2.421 -8.962 1.00 64.25 O ATOM 1094 CB ASP A 77 7.243 5.805 -8.815 1.00 31.34 C ATOM 1095 CG ASP A 77 5.918 5.782 -9.583 1.00 20.00 C ATOM 1096 OD1 ASP A 77 4.927 5.252 -9.038 1.00 54.55 O ATOM 1097 OD2 ASP A 77 5.870 6.394 -10.680 1.00 44.35 O ATOM 0 H ASP A 77 9.347 5.177 -7.323 1.00 22.00 H new ATOM 0 HA ASP A 77 6.508 4.345 -7.444 1.00 2.20 H new ATOM 0 HB2 ASP A 77 7.273 6.688 -8.177 1.00 31.34 H new ATOM 0 HB3 ASP A 77 8.067 5.895 -9.523 1.00 31.34 H new ATOM 1101 N ALA A 78 9.049 3.255 -9.267 1.00 20.12 N ATOM 1102 CA ALA A 78 9.556 2.180 -10.109 1.00 54.11 C ATOM 1103 C ALA A 78 9.342 0.809 -9.479 1.00 54.33 C ATOM 1104 O ALA A 78 9.190 -0.173 -10.195 1.00 40.32 O ATOM 1105 CB ALA A 78 11.055 2.380 -10.359 1.00 14.12 C ATOM 0 H ALA A 78 9.755 3.959 -9.053 1.00 20.12 H new ATOM 0 HA ALA A 78 9.002 2.215 -11.047 1.00 54.11 H new ATOM 0 HB1 ALA A 78 11.430 1.573 -10.989 1.00 14.12 H new ATOM 0 HB2 ALA A 78 11.216 3.335 -10.858 1.00 14.12 H new ATOM 0 HB3 ALA A 78 11.587 2.374 -9.407 1.00 14.12 H new ATOM 1111 N TYR A 79 9.363 0.700 -8.150 1.00 54.24 N ATOM 1112 CA TYR A 79 9.095 -0.568 -7.483 1.00 35.40 C ATOM 1113 C TYR A 79 7.683 -1.067 -7.800 1.00 42.34 C ATOM 1114 O TYR A 79 7.503 -2.248 -8.089 1.00 55.05 O ATOM 1115 CB TYR A 79 9.253 -0.402 -5.977 1.00 51.24 C ATOM 1116 CG TYR A 79 9.302 -1.720 -5.233 1.00 64.41 C ATOM 1117 CD1 TYR A 79 8.115 -2.378 -4.870 1.00 63.24 C ATOM 1118 CD2 TYR A 79 10.539 -2.318 -4.944 1.00 51.04 C ATOM 1119 CE1 TYR A 79 8.166 -3.646 -4.264 1.00 35.50 C ATOM 1120 CE2 TYR A 79 10.598 -3.542 -4.263 1.00 12.03 C ATOM 1121 CZ TYR A 79 9.411 -4.226 -3.934 1.00 2.01 C ATOM 1122 OH TYR A 79 9.483 -5.432 -3.307 1.00 13.11 O ATOM 0 H TYR A 79 9.563 1.475 -7.518 1.00 54.24 H new ATOM 0 HA TYR A 79 9.811 -1.304 -7.848 1.00 35.40 H new ATOM 0 HB2 TYR A 79 10.167 0.157 -5.774 1.00 51.24 H new ATOM 0 HB3 TYR A 79 8.424 0.193 -5.595 1.00 51.24 H new ATOM 0 HD1 TYR A 79 7.160 -1.909 -5.057 1.00 63.24 H new ATOM 0 HD2 TYR A 79 11.453 -1.831 -5.249 1.00 51.04 H new ATOM 0 HE1 TYR A 79 7.251 -4.178 -4.050 1.00 35.50 H new ATOM 0 HE2 TYR A 79 11.555 -3.961 -3.990 1.00 12.03 H new ATOM 0 HH TYR A 79 10.423 -5.670 -3.163 1.00 13.11 H new ATOM 1131 N ALA A 80 6.678 -0.190 -7.746 1.00 55.32 N ATOM 1132 CA ALA A 80 5.297 -0.573 -7.992 1.00 33.14 C ATOM 1133 C ALA A 80 5.050 -0.847 -9.476 1.00 4.13 C ATOM 1134 O ALA A 80 4.227 -1.712 -9.793 1.00 54.32 O ATOM 1135 CB ALA A 80 4.363 0.508 -7.448 1.00 1.24 C ATOM 0 H ALA A 80 6.803 0.799 -7.531 1.00 55.32 H new ATOM 0 HA ALA A 80 5.088 -1.505 -7.467 1.00 33.14 H new ATOM 0 HB1 ALA A 80 3.328 0.221 -7.632 1.00 1.24 H new ATOM 0 HB2 ALA A 80 4.523 0.621 -6.376 1.00 1.24 H new ATOM 0 HB3 ALA A 80 4.572 1.454 -7.947 1.00 1.24 H new ATOM 1141 N GLU A 81 5.801 -0.196 -10.375 1.00 12.30 N ATOM 1142 CA GLU A 81 5.753 -0.534 -11.789 1.00 75.44 C ATOM 1143 C GLU A 81 6.361 -1.920 -11.962 1.00 44.13 C ATOM 1144 O GLU A 81 5.803 -2.756 -12.676 1.00 61.22 O ATOM 1145 CB GLU A 81 6.480 0.492 -12.688 1.00 72.51 C ATOM 1146 CG GLU A 81 5.860 1.907 -12.687 1.00 13.24 C ATOM 1147 CD GLU A 81 5.837 2.626 -14.055 1.00 32.21 C ATOM 1148 OE1 GLU A 81 5.761 1.987 -15.133 1.00 74.54 O ATOM 1149 OE2 GLU A 81 5.808 3.883 -14.085 1.00 11.52 O ATOM 0 H GLU A 81 6.443 0.562 -10.142 1.00 12.30 H new ATOM 0 HA GLU A 81 4.711 -0.518 -12.109 1.00 75.44 H new ATOM 0 HB2 GLU A 81 7.519 0.565 -12.365 1.00 72.51 H new ATOM 0 HB3 GLU A 81 6.490 0.115 -13.711 1.00 72.51 H new ATOM 0 HG2 GLU A 81 4.837 1.836 -12.317 1.00 13.24 H new ATOM 0 HG3 GLU A 81 6.413 2.526 -11.980 1.00 13.24 H new ATOM 1154 N ARG A 82 7.484 -2.171 -11.282 1.00 71.54 N ATOM 1155 CA ARG A 82 8.232 -3.408 -11.361 1.00 34.20 C ATOM 1156 C ARG A 82 7.404 -4.581 -10.885 1.00 71.32 C ATOM 1157 O ARG A 82 7.273 -5.534 -11.641 1.00 52.22 O ATOM 1158 CB ARG A 82 9.549 -3.301 -10.573 1.00 63.24 C ATOM 1159 CG ARG A 82 10.405 -4.579 -10.639 1.00 55.02 C ATOM 1160 CD ARG A 82 11.575 -4.488 -9.652 1.00 34.31 C ATOM 1161 NE ARG A 82 12.830 -4.936 -10.275 1.00 12.11 N ATOM 1162 CZ ARG A 82 14.001 -4.298 -10.203 1.00 63.32 C ATOM 1163 NH1 ARG A 82 14.201 -3.320 -9.329 1.00 51.33 N ATOM 1164 NH2 ARG A 82 14.968 -4.650 -11.033 1.00 53.35 N ATOM 0 H ARG A 82 7.902 -1.492 -10.645 1.00 71.54 H new ATOM 0 HA ARG A 82 8.479 -3.584 -12.408 1.00 34.20 H new ATOM 0 HB2 ARG A 82 10.129 -2.463 -10.961 1.00 63.24 H new ATOM 0 HB3 ARG A 82 9.323 -3.077 -9.530 1.00 63.24 H new ATOM 0 HG2 ARG A 82 9.791 -5.449 -10.406 1.00 55.02 H new ATOM 0 HG3 ARG A 82 10.784 -4.719 -11.651 1.00 55.02 H new ATOM 0 HD2 ARG A 82 11.684 -3.460 -9.306 1.00 34.31 H new ATOM 0 HD3 ARG A 82 11.363 -5.099 -8.774 1.00 34.31 H new ATOM 0 HE ARG A 82 12.804 -5.806 -10.806 1.00 12.11 H new ATOM 0 HH11 ARG A 82 13.452 -3.042 -8.695 1.00 51.33 H new ATOM 0 HH12 ARG A 82 15.104 -2.846 -9.291 1.00 51.33 H new ATOM 0 HH21 ARG A 82 14.812 -5.396 -11.711 1.00 53.35 H new ATOM 0 HH22 ARG A 82 15.870 -4.176 -10.995 1.00 53.35 H new ATOM 1175 N ALA A 83 6.926 -4.561 -9.641 1.00 35.22 N ATOM 1176 CA ALA A 83 6.364 -5.734 -8.986 1.00 62.53 C ATOM 1177 C ALA A 83 5.236 -6.327 -9.829 1.00 24.50 C ATOM 1178 O ALA A 83 5.171 -7.546 -10.016 1.00 52.15 O ATOM 1179 CB ALA A 83 5.891 -5.359 -7.580 1.00 11.44 C ATOM 0 H ALA A 83 6.919 -3.724 -9.059 1.00 35.22 H new ATOM 0 HA ALA A 83 7.131 -6.502 -8.890 1.00 62.53 H new ATOM 0 HB1 ALA A 83 5.471 -6.238 -7.091 1.00 11.44 H new ATOM 0 HB2 ALA A 83 6.736 -4.989 -6.998 1.00 11.44 H new ATOM 0 HB3 ALA A 83 5.129 -4.582 -7.647 1.00 11.44 H new ATOM 1185 N ALA A 84 4.433 -5.457 -10.446 1.00 52.15 N ATOM 1186 CA ALA A 84 3.284 -5.823 -11.254 1.00 40.05 C ATOM 1187 C ALA A 84 3.639 -6.561 -12.552 1.00 75.31 C ATOM 1188 O ALA A 84 2.739 -6.951 -13.290 1.00 63.52 O ATOM 1189 CB ALA A 84 2.482 -4.559 -11.569 1.00 55.05 C ATOM 0 H ALA A 84 4.575 -4.448 -10.391 1.00 52.15 H new ATOM 0 HA ALA A 84 2.695 -6.529 -10.669 1.00 40.05 H new ATOM 0 HB1 ALA A 84 1.615 -4.820 -12.176 1.00 55.05 H new ATOM 0 HB2 ALA A 84 2.148 -4.099 -10.639 1.00 55.05 H new ATOM 0 HB3 ALA A 84 3.110 -3.857 -12.117 1.00 55.05 H new ATOM 1195 N ARG A 85 4.924 -6.727 -12.876 1.00 54.44 N ATOM 1196 CA ARG A 85 5.392 -7.386 -14.094 1.00 23.51 C ATOM 1197 C ARG A 85 5.891 -8.811 -13.809 1.00 75.55 C ATOM 1198 O ARG A 85 6.273 -9.516 -14.753 1.00 71.54 O ATOM 1199 CB ARG A 85 6.486 -6.505 -14.725 1.00 61.12 C ATOM 1200 CG ARG A 85 5.977 -5.120 -15.168 1.00 42.34 C ATOM 1201 CD ARG A 85 7.163 -4.169 -15.352 1.00 23.32 C ATOM 1202 NE ARG A 85 6.730 -2.807 -15.702 1.00 0.03 N ATOM 1203 CZ ARG A 85 7.518 -1.769 -15.999 1.00 14.10 C ATOM 1204 NH1 ARG A 85 8.840 -1.846 -15.892 1.00 22.44 N ATOM 1205 NH2 ARG A 85 6.976 -0.632 -16.411 1.00 75.25 N ATOM 0 H ARG A 85 5.685 -6.398 -12.282 1.00 54.44 H new ATOM 0 HA ARG A 85 4.566 -7.496 -14.797 1.00 23.51 H new ATOM 0 HB2 ARG A 85 7.295 -6.374 -14.007 1.00 61.12 H new ATOM 0 HB3 ARG A 85 6.906 -7.022 -15.588 1.00 61.12 H new ATOM 0 HG2 ARG A 85 5.421 -5.208 -16.101 1.00 42.34 H new ATOM 0 HG3 ARG A 85 5.289 -4.719 -14.423 1.00 42.34 H new ATOM 0 HD2 ARG A 85 7.748 -4.138 -14.433 1.00 23.32 H new ATOM 0 HD3 ARG A 85 7.818 -4.553 -16.134 1.00 23.32 H new ATOM 0 HE ARG A 85 5.724 -2.637 -15.720 1.00 0.03 H new ATOM 0 HH11 ARG A 85 9.277 -2.712 -15.577 1.00 22.44 H new ATOM 0 HH12 ARG A 85 9.418 -1.039 -16.125 1.00 22.44 H new ATOM 0 HH21 ARG A 85 5.963 -0.553 -16.500 1.00 75.25 H new ATOM 0 HH22 ARG A 85 7.572 0.164 -16.639 1.00 75.25 H new ATOM 1216 N ILE A 86 5.948 -9.226 -12.539 1.00 31.24 N ATOM 1217 CA ILE A 86 6.395 -10.559 -12.137 1.00 60.33 C ATOM 1218 C ILE A 86 5.379 -11.202 -11.187 1.00 14.41 C ATOM 1219 O ILE A 86 5.221 -12.421 -11.212 1.00 42.21 O ATOM 1220 CB ILE A 86 7.820 -10.527 -11.522 1.00 0.30 C ATOM 1221 CG1 ILE A 86 8.847 -9.723 -12.356 1.00 24.40 C ATOM 1222 CG2 ILE A 86 8.360 -11.965 -11.378 1.00 73.12 C ATOM 1223 CD1 ILE A 86 8.959 -8.248 -11.981 1.00 44.44 C ATOM 0 H ILE A 86 5.680 -8.635 -11.752 1.00 31.24 H new ATOM 0 HA ILE A 86 6.456 -11.178 -13.032 1.00 60.33 H new ATOM 0 HB ILE A 86 7.711 -10.030 -10.558 1.00 0.30 H new ATOM 0 HG12 ILE A 86 9.827 -10.187 -12.246 1.00 24.40 H new ATOM 0 HG13 ILE A 86 8.576 -9.796 -13.409 1.00 24.40 H new ATOM 0 HG21 ILE A 86 9.360 -11.936 -10.946 1.00 73.12 H new ATOM 0 HG22 ILE A 86 7.700 -12.538 -10.727 1.00 73.12 H new ATOM 0 HG23 ILE A 86 8.402 -12.438 -12.359 1.00 73.12 H new ATOM 0 HD11 ILE A 86 9.701 -7.766 -12.617 1.00 44.44 H new ATOM 0 HD12 ILE A 86 7.993 -7.763 -12.120 1.00 44.44 H new ATOM 0 HD13 ILE A 86 9.263 -8.160 -10.938 1.00 44.44 H new ATOM 1234 N ASP A 87 4.688 -10.428 -10.344 1.00 44.25 N ATOM 1235 CA ASP A 87 3.576 -10.990 -9.580 1.00 33.11 C ATOM 1236 C ASP A 87 2.415 -11.263 -10.534 1.00 64.55 C ATOM 1237 O ASP A 87 2.217 -10.496 -11.480 1.00 74.54 O ATOM 1238 CB ASP A 87 3.154 -10.071 -8.428 1.00 0.13 C ATOM 1239 CG ASP A 87 3.479 -10.741 -7.101 1.00 31.30 C ATOM 1240 OD1 ASP A 87 4.678 -10.944 -6.807 1.00 40.34 O ATOM 1241 OD2 ASP A 87 2.535 -11.145 -6.377 1.00 41.13 O ATOM 0 H ASP A 87 4.873 -9.439 -10.178 1.00 44.25 H new ATOM 0 HA ASP A 87 3.895 -11.925 -9.120 1.00 33.11 H new ATOM 0 HB2 ASP A 87 3.673 -9.115 -8.502 1.00 0.13 H new ATOM 0 HB3 ASP A 87 2.086 -9.860 -8.489 1.00 0.13 H new ATOM 1245 N PRO A 88 1.645 -12.337 -10.303 1.00 44.11 N ATOM 1246 CA PRO A 88 0.649 -12.807 -11.249 1.00 51.32 C ATOM 1247 C PRO A 88 -0.512 -11.823 -11.333 1.00 55.23 C ATOM 1248 O PRO A 88 -1.008 -11.565 -12.429 1.00 75.35 O ATOM 1249 CB PRO A 88 0.231 -14.195 -10.751 1.00 74.11 C ATOM 1250 CG PRO A 88 0.548 -14.163 -9.257 1.00 44.12 C ATOM 1251 CD PRO A 88 1.753 -13.245 -9.175 1.00 13.44 C ATOM 0 HA PRO A 88 1.034 -12.877 -12.266 1.00 51.32 H new ATOM 0 HB2 PRO A 88 -0.828 -14.381 -10.930 1.00 74.11 H new ATOM 0 HB3 PRO A 88 0.784 -14.985 -11.260 1.00 74.11 H new ATOM 0 HG2 PRO A 88 -0.291 -13.779 -8.676 1.00 44.12 H new ATOM 0 HG3 PRO A 88 0.773 -15.158 -8.872 1.00 44.12 H new ATOM 0 HD2 PRO A 88 1.762 -12.697 -8.233 1.00 13.44 H new ATOM 0 HD3 PRO A 88 2.681 -13.815 -9.221 1.00 13.44 H new ATOM 1256 N ASP A 89 -0.940 -11.250 -10.201 1.00 44.41 N ATOM 1257 CA ASP A 89 -1.905 -10.162 -10.184 1.00 62.33 C ATOM 1258 C ASP A 89 -1.917 -9.505 -8.818 1.00 55.31 C ATOM 1259 O ASP A 89 -2.581 -9.973 -7.894 1.00 13.42 O ATOM 1260 CB ASP A 89 -3.315 -10.620 -10.574 1.00 32.21 C ATOM 1261 CG ASP A 89 -3.791 -9.780 -11.761 1.00 33.43 C ATOM 1262 OD1 ASP A 89 -3.656 -8.537 -11.710 1.00 60.21 O ATOM 1263 OD2 ASP A 89 -4.231 -10.369 -12.783 1.00 44.01 O ATOM 0 H ASP A 89 -0.622 -11.534 -9.274 1.00 44.41 H new ATOM 0 HA ASP A 89 -1.593 -9.437 -10.935 1.00 62.33 H new ATOM 0 HB2 ASP A 89 -3.310 -11.678 -10.837 1.00 32.21 H new ATOM 0 HB3 ASP A 89 -3.997 -10.505 -9.731 1.00 32.21 H new ATOM 1267 N ILE A 90 -1.150 -8.437 -8.695 1.00 53.04 N ATOM 1268 CA ILE A 90 -0.934 -7.692 -7.469 1.00 54.04 C ATOM 1269 C ILE A 90 -1.804 -6.429 -7.500 1.00 35.24 C ATOM 1270 O ILE A 90 -2.039 -5.841 -8.553 1.00 0.14 O ATOM 1271 CB ILE A 90 0.586 -7.444 -7.340 1.00 24.14 C ATOM 1272 CG1 ILE A 90 0.981 -6.630 -6.097 1.00 40.21 C ATOM 1273 CG2 ILE A 90 1.178 -6.803 -8.607 1.00 14.11 C ATOM 1274 CD1 ILE A 90 2.469 -6.779 -5.761 1.00 2.33 C ATOM 0 H ILE A 90 -0.636 -8.047 -9.485 1.00 53.04 H new ATOM 0 HA ILE A 90 -1.241 -8.231 -6.573 1.00 54.04 H new ATOM 0 HB ILE A 90 1.018 -8.437 -7.215 1.00 24.14 H new ATOM 0 HG12 ILE A 90 0.751 -5.578 -6.265 1.00 40.21 H new ATOM 0 HG13 ILE A 90 0.383 -6.955 -5.246 1.00 40.21 H new ATOM 0 HG21 ILE A 90 2.248 -6.647 -8.470 1.00 14.11 H new ATOM 0 HG22 ILE A 90 1.013 -7.462 -9.459 1.00 14.11 H new ATOM 0 HG23 ILE A 90 0.693 -5.844 -8.791 1.00 14.11 H new ATOM 0 HD11 ILE A 90 2.703 -6.187 -4.876 1.00 2.33 H new ATOM 0 HD12 ILE A 90 2.695 -7.827 -5.566 1.00 2.33 H new ATOM 0 HD13 ILE A 90 3.069 -6.429 -6.601 1.00 2.33 H new ATOM 1285 N TRP A 91 -2.308 -6.012 -6.347 1.00 40.31 N ATOM 1286 CA TRP A 91 -3.026 -4.763 -6.161 1.00 52.41 C ATOM 1287 C TRP A 91 -2.018 -3.651 -5.904 1.00 74.25 C ATOM 1288 O TRP A 91 -0.926 -3.890 -5.394 1.00 72.45 O ATOM 1289 CB TRP A 91 -4.011 -4.887 -4.996 1.00 23.10 C ATOM 1290 CG TRP A 91 -5.165 -5.815 -5.233 1.00 73.54 C ATOM 1291 CD1 TRP A 91 -5.087 -7.159 -5.343 1.00 0.30 C ATOM 1292 CD2 TRP A 91 -6.579 -5.494 -5.390 1.00 75.51 C ATOM 1293 NE1 TRP A 91 -6.344 -7.673 -5.566 1.00 23.14 N ATOM 1294 CE2 TRP A 91 -7.302 -6.689 -5.661 1.00 73.53 C ATOM 1295 CE3 TRP A 91 -7.322 -4.303 -5.334 1.00 32.31 C ATOM 1296 CZ2 TRP A 91 -8.679 -6.687 -5.932 1.00 35.30 C ATOM 1297 CZ3 TRP A 91 -8.704 -4.280 -5.602 1.00 44.32 C ATOM 1298 CH2 TRP A 91 -9.382 -5.471 -5.923 1.00 30.24 C ATOM 0 H TRP A 91 -2.224 -6.554 -5.487 1.00 40.31 H new ATOM 0 HA TRP A 91 -3.599 -4.528 -7.058 1.00 52.41 H new ATOM 0 HB2 TRP A 91 -3.467 -5.227 -4.115 1.00 23.10 H new ATOM 0 HB3 TRP A 91 -4.403 -3.896 -4.765 1.00 23.10 H new ATOM 0 HD1 TRP A 91 -4.180 -7.740 -5.268 1.00 0.30 H new ATOM 0 HE1 TRP A 91 -6.543 -8.670 -5.651 1.00 23.14 H new ATOM 0 HE3 TRP A 91 -6.820 -3.381 -5.079 1.00 32.31 H new ATOM 0 HZ2 TRP A 91 -9.194 -7.612 -6.146 1.00 35.30 H new ATOM 0 HZ3 TRP A 91 -9.245 -3.346 -5.561 1.00 44.32 H new ATOM 0 HH2 TRP A 91 -10.435 -5.450 -6.161 1.00 30.24 H new ATOM 1308 N VAL A 92 -2.402 -2.414 -6.194 1.00 22.52 N ATOM 1309 CA VAL A 92 -1.608 -1.225 -5.934 1.00 44.24 C ATOM 1310 C VAL A 92 -2.609 -0.237 -5.347 1.00 55.44 C ATOM 1311 O VAL A 92 -3.690 -0.070 -5.916 1.00 44.13 O ATOM 1312 CB VAL A 92 -0.952 -0.734 -7.245 1.00 51.45 C ATOM 1313 CG1 VAL A 92 -0.113 0.532 -7.012 1.00 61.44 C ATOM 1314 CG2 VAL A 92 -0.024 -1.775 -7.894 1.00 64.23 C ATOM 0 H VAL A 92 -3.301 -2.207 -6.629 1.00 22.52 H new ATOM 0 HA VAL A 92 -0.776 -1.383 -5.248 1.00 44.24 H new ATOM 0 HB VAL A 92 -1.790 -0.537 -7.913 1.00 51.45 H new ATOM 0 HG11 VAL A 92 0.334 0.851 -7.954 1.00 61.44 H new ATOM 0 HG12 VAL A 92 -0.752 1.326 -6.627 1.00 61.44 H new ATOM 0 HG13 VAL A 92 0.675 0.318 -6.290 1.00 61.44 H new ATOM 0 HG21 VAL A 92 0.401 -1.363 -8.809 1.00 64.23 H new ATOM 0 HG22 VAL A 92 0.779 -2.028 -7.202 1.00 64.23 H new ATOM 0 HG23 VAL A 92 -0.594 -2.673 -8.131 1.00 64.23 H new ATOM 1324 N VAL A 93 -2.297 0.389 -4.213 1.00 40.31 N ATOM 1325 CA VAL A 93 -3.198 1.305 -3.525 1.00 71.31 C ATOM 1326 C VAL A 93 -2.391 2.559 -3.200 1.00 72.11 C ATOM 1327 O VAL A 93 -1.323 2.443 -2.595 1.00 62.44 O ATOM 1328 CB VAL A 93 -3.816 0.647 -2.269 1.00 40.15 C ATOM 1329 CG1 VAL A 93 -5.153 1.335 -1.960 1.00 70.43 C ATOM 1330 CG2 VAL A 93 -4.104 -0.861 -2.409 1.00 52.41 C ATOM 0 H VAL A 93 -1.400 0.271 -3.743 1.00 40.31 H new ATOM 0 HA VAL A 93 -4.048 1.569 -4.154 1.00 71.31 H new ATOM 0 HB VAL A 93 -3.075 0.765 -1.479 1.00 40.15 H new ATOM 0 HG11 VAL A 93 -5.600 0.881 -1.076 1.00 70.43 H new ATOM 0 HG12 VAL A 93 -4.982 2.396 -1.776 1.00 70.43 H new ATOM 0 HG13 VAL A 93 -5.827 1.218 -2.809 1.00 70.43 H new ATOM 0 HG21 VAL A 93 -4.536 -1.237 -1.481 1.00 52.41 H new ATOM 0 HG22 VAL A 93 -4.806 -1.023 -3.227 1.00 52.41 H new ATOM 0 HG23 VAL A 93 -3.175 -1.391 -2.618 1.00 52.41 H new ATOM 1340 N GLU A 94 -2.887 3.722 -3.625 1.00 53.45 N ATOM 1341 CA GLU A 94 -2.103 4.940 -3.796 1.00 11.40 C ATOM 1342 C GLU A 94 -2.778 6.085 -3.049 1.00 54.31 C ATOM 1343 O GLU A 94 -3.879 6.486 -3.440 1.00 2.24 O ATOM 1344 CB GLU A 94 -2.018 5.289 -5.300 1.00 24.33 C ATOM 1345 CG GLU A 94 -1.415 4.237 -6.241 1.00 2.24 C ATOM 1346 CD GLU A 94 0.112 4.252 -6.256 1.00 32.31 C ATOM 1347 OE1 GLU A 94 0.714 3.844 -5.249 1.00 2.44 O ATOM 1348 OE2 GLU A 94 0.687 4.679 -7.291 1.00 33.41 O ATOM 0 H GLU A 94 -3.871 3.843 -3.865 1.00 53.45 H new ATOM 0 HA GLU A 94 -1.099 4.786 -3.400 1.00 11.40 H new ATOM 0 HB2 GLU A 94 -3.025 5.515 -5.650 1.00 24.33 H new ATOM 0 HB3 GLU A 94 -1.434 6.204 -5.400 1.00 24.33 H new ATOM 0 HG2 GLU A 94 -1.760 3.248 -5.939 1.00 2.24 H new ATOM 0 HG3 GLU A 94 -1.784 4.408 -7.252 1.00 2.24 H new ATOM 1353 N ILE A 95 -2.146 6.607 -1.986 1.00 10.33 N ATOM 1354 CA ILE A 95 -2.753 7.598 -1.094 1.00 10.51 C ATOM 1355 C ILE A 95 -1.864 8.825 -1.011 1.00 24.11 C ATOM 1356 O ILE A 95 -0.647 8.749 -0.815 1.00 64.22 O ATOM 1357 CB ILE A 95 -3.077 7.003 0.304 1.00 74.31 C ATOM 1358 CG1 ILE A 95 -3.713 5.603 0.237 1.00 21.24 C ATOM 1359 CG2 ILE A 95 -3.953 7.909 1.193 1.00 52.41 C ATOM 1360 CD1 ILE A 95 -5.064 5.513 -0.446 1.00 12.14 C ATOM 0 H ILE A 95 -1.195 6.350 -1.723 1.00 10.33 H new ATOM 0 HA ILE A 95 -3.712 7.902 -1.513 1.00 10.51 H new ATOM 0 HB ILE A 95 -2.095 6.926 0.770 1.00 74.31 H new ATOM 0 HG12 ILE A 95 -3.022 4.937 -0.281 1.00 21.24 H new ATOM 0 HG13 ILE A 95 -3.818 5.225 1.254 1.00 21.24 H new ATOM 0 HG21 ILE A 95 -4.131 7.418 2.150 1.00 52.41 H new ATOM 0 HG22 ILE A 95 -3.442 8.857 1.361 1.00 52.41 H new ATOM 0 HG23 ILE A 95 -4.906 8.093 0.697 1.00 52.41 H new ATOM 0 HD11 ILE A 95 -5.411 4.480 -0.432 1.00 12.14 H new ATOM 0 HD12 ILE A 95 -5.781 6.143 0.080 1.00 12.14 H new ATOM 0 HD13 ILE A 95 -4.973 5.851 -1.478 1.00 12.14 H new ATOM 1371 N GLU A 96 -2.514 9.958 -1.220 1.00 11.43 N ATOM 1372 CA GLU A 96 -1.982 11.284 -1.371 1.00 52.34 C ATOM 1373 C GLU A 96 -2.504 12.083 -0.197 1.00 31.22 C ATOM 1374 O GLU A 96 -3.586 12.680 -0.240 1.00 42.51 O ATOM 1375 CB GLU A 96 -2.426 11.809 -2.738 1.00 5.34 C ATOM 1376 CG GLU A 96 -1.237 12.081 -3.660 1.00 52.51 C ATOM 1377 CD GLU A 96 -0.876 13.570 -3.818 1.00 1.41 C ATOM 1378 OE1 GLU A 96 -1.437 14.439 -3.100 1.00 10.40 O ATOM 1379 OE2 GLU A 96 0.047 13.878 -4.606 1.00 30.31 O ATOM 0 H GLU A 96 -3.531 9.961 -1.294 1.00 11.43 H new ATOM 0 HA GLU A 96 -0.894 11.340 -1.358 1.00 52.34 H new ATOM 0 HB2 GLU A 96 -3.090 11.083 -3.207 1.00 5.34 H new ATOM 0 HB3 GLU A 96 -2.999 12.726 -2.605 1.00 5.34 H new ATOM 0 HG2 GLU A 96 -0.367 11.548 -3.276 1.00 52.51 H new ATOM 0 HG3 GLU A 96 -1.455 11.667 -4.644 1.00 52.51 H new ATOM 1384 N ASP A 97 -1.734 12.018 0.879 1.00 71.42 N ATOM 1385 CA ASP A 97 -2.047 12.682 2.138 1.00 10.43 C ATOM 1386 C ASP A 97 -1.209 13.957 2.243 1.00 25.42 C ATOM 1387 O ASP A 97 -0.463 14.328 1.333 1.00 50.53 O ATOM 1388 CB ASP A 97 -1.772 11.731 3.311 1.00 30.00 C ATOM 1389 CG ASP A 97 -2.522 12.200 4.551 1.00 63.23 C ATOM 1390 OD1 ASP A 97 -3.709 11.862 4.677 1.00 30.00 O ATOM 1391 OD2 ASP A 97 -1.979 12.973 5.374 1.00 45.42 O ATOM 0 H ASP A 97 -0.859 11.494 0.903 1.00 71.42 H new ATOM 0 HA ASP A 97 -3.102 12.953 2.173 1.00 10.43 H new ATOM 0 HB2 ASP A 97 -2.082 10.719 3.050 1.00 30.00 H new ATOM 0 HB3 ASP A 97 -0.702 11.693 3.516 1.00 30.00 H new ATOM 1395 N ARG A 98 -1.319 14.666 3.356 1.00 71.02 N ATOM 1396 CA ARG A 98 -0.324 15.636 3.765 1.00 13.20 C ATOM 1397 C ARG A 98 0.829 14.895 4.407 1.00 13.32 C ATOM 1398 O ARG A 98 1.929 14.981 3.892 1.00 33.33 O ATOM 1399 CB ARG A 98 -0.960 16.652 4.722 1.00 73.35 C ATOM 1400 CG ARG A 98 -1.657 17.729 3.893 1.00 5.33 C ATOM 1401 CD ARG A 98 -1.922 19.012 4.675 1.00 64.04 C ATOM 1402 NE ARG A 98 -2.693 19.939 3.840 1.00 45.11 N ATOM 1403 CZ ARG A 98 -3.030 21.198 4.125 1.00 64.05 C ATOM 1404 NH1 ARG A 98 -2.787 21.737 5.316 1.00 11.34 N ATOM 1405 NH2 ARG A 98 -3.631 21.943 3.216 1.00 61.15 N ATOM 0 H ARG A 98 -2.105 14.582 4.001 1.00 71.02 H new ATOM 0 HA ARG A 98 0.056 16.192 2.908 1.00 13.20 H new ATOM 0 HB2 ARG A 98 -1.676 16.157 5.379 1.00 73.35 H new ATOM 0 HB3 ARG A 98 -0.198 17.099 5.360 1.00 73.35 H new ATOM 0 HG2 ARG A 98 -1.044 17.962 3.022 1.00 5.33 H new ATOM 0 HG3 ARG A 98 -2.603 17.336 3.521 1.00 5.33 H new ATOM 0 HD2 ARG A 98 -2.470 18.787 5.590 1.00 64.04 H new ATOM 0 HD3 ARG A 98 -0.979 19.471 4.973 1.00 64.04 H new ATOM 0 HE ARG A 98 -3.007 19.580 2.938 1.00 45.11 H new ATOM 0 HH11 ARG A 98 -2.331 21.185 6.042 1.00 11.34 H new ATOM 0 HH12 ARG A 98 -3.057 22.703 5.503 1.00 11.34 H new ATOM 0 HH21 ARG A 98 -3.838 21.556 2.295 1.00 61.15 H new ATOM 0 HH22 ARG A 98 -3.888 22.905 3.434 1.00 61.15 H new ATOM 1416 N ASP A 99 0.586 14.180 5.502 1.00 25.31 N ATOM 1417 CA ASP A 99 1.605 13.725 6.457 1.00 23.21 C ATOM 1418 C ASP A 99 2.020 12.279 6.170 1.00 61.41 C ATOM 1419 O ASP A 99 2.126 11.453 7.073 1.00 61.05 O ATOM 1420 CB ASP A 99 1.060 13.914 7.878 1.00 10.30 C ATOM 1421 CG ASP A 99 2.126 13.725 8.970 1.00 43.21 C ATOM 1422 OD1 ASP A 99 3.058 14.564 9.017 1.00 13.31 O ATOM 1423 OD2 ASP A 99 1.960 12.892 9.888 1.00 30.42 O ATOM 0 H ASP A 99 -0.356 13.889 5.762 1.00 25.31 H new ATOM 0 HA ASP A 99 2.512 14.321 6.353 1.00 23.21 H new ATOM 0 HB2 ASP A 99 0.633 14.913 7.966 1.00 10.30 H new ATOM 0 HB3 ASP A 99 0.249 13.205 8.046 1.00 10.30 H new ATOM 1427 N GLY A 100 2.183 11.938 4.887 1.00 54.25 N ATOM 1428 CA GLY A 100 2.874 10.720 4.470 1.00 71.12 C ATOM 1429 C GLY A 100 2.184 9.415 4.850 1.00 51.43 C ATOM 1430 O GLY A 100 2.837 8.367 4.870 1.00 35.20 O ATOM 0 H GLY A 100 1.838 12.502 4.110 1.00 54.25 H new ATOM 0 HA2 GLY A 100 2.997 10.745 3.387 1.00 71.12 H new ATOM 0 HA3 GLY A 100 3.874 10.723 4.904 1.00 71.12 H new ATOM 1434 N ARG A 101 0.895 9.464 5.188 1.00 43.53 N ATOM 1435 CA ARG A 101 0.148 8.343 5.750 1.00 24.03 C ATOM 1436 C ARG A 101 -0.665 7.615 4.692 1.00 73.23 C ATOM 1437 O ARG A 101 -0.837 8.103 3.579 1.00 5.41 O ATOM 1438 CB ARG A 101 -0.674 8.782 6.968 1.00 62.33 C ATOM 1439 CG ARG A 101 -1.627 9.926 6.650 1.00 52.34 C ATOM 1440 CD ARG A 101 -2.573 10.291 7.808 1.00 25.24 C ATOM 1441 NE ARG A 101 -2.049 11.329 8.706 1.00 62.24 N ATOM 1442 CZ ARG A 101 -1.111 11.255 9.656 1.00 4.12 C ATOM 1443 NH1 ARG A 101 -0.570 10.100 10.011 1.00 2.50 N ATOM 1444 NH2 ARG A 101 -0.721 12.376 10.241 1.00 45.15 N ATOM 0 H ARG A 101 0.330 10.305 5.075 1.00 43.53 H new ATOM 0 HA ARG A 101 0.863 7.607 6.117 1.00 24.03 H new ATOM 0 HB2 ARG A 101 -1.245 7.932 7.342 1.00 62.33 H new ATOM 0 HB3 ARG A 101 0.002 9.088 7.766 1.00 62.33 H new ATOM 0 HG2 ARG A 101 -1.044 10.806 6.379 1.00 52.34 H new ATOM 0 HG3 ARG A 101 -2.223 9.657 5.778 1.00 52.34 H new ATOM 0 HD2 ARG A 101 -3.523 10.629 7.394 1.00 25.24 H new ATOM 0 HD3 ARG A 101 -2.781 9.393 8.390 1.00 25.24 H new ATOM 0 HE ARG A 101 -2.467 12.252 8.586 1.00 62.24 H new ATOM 0 HH11 ARG A 101 -0.867 9.237 9.556 1.00 2.50 H new ATOM 0 HH12 ARG A 101 0.144 10.074 10.739 1.00 2.50 H new ATOM 0 HH21 ARG A 101 -1.134 13.266 9.964 1.00 45.15 H new ATOM 0 HH22 ARG A 101 -0.007 12.350 10.969 1.00 45.15 H new ATOM 1455 N HIS A 102 -1.156 6.433 5.062 1.00 65.01 N ATOM 1456 CA HIS A 102 -1.859 5.515 4.176 1.00 54.53 C ATOM 1457 C HIS A 102 -3.190 5.020 4.742 1.00 11.33 C ATOM 1458 O HIS A 102 -3.920 4.300 4.058 1.00 50.44 O ATOM 1459 CB HIS A 102 -0.938 4.336 3.852 1.00 11.32 C ATOM 1460 CG HIS A 102 -1.057 3.968 2.409 1.00 34.22 C ATOM 1461 ND1 HIS A 102 -1.831 2.989 1.832 1.00 2.33 N ATOM 1462 CD2 HIS A 102 -0.495 4.701 1.412 1.00 35.34 C ATOM 1463 CE1 HIS A 102 -1.650 3.081 0.501 1.00 10.40 C ATOM 1464 NE2 HIS A 102 -0.820 4.095 0.202 1.00 61.04 N ATOM 0 H HIS A 102 -1.071 6.080 6.015 1.00 65.01 H new ATOM 0 HA HIS A 102 -2.112 6.064 3.269 1.00 54.53 H new ATOM 0 HB2 HIS A 102 0.094 4.598 4.084 1.00 11.32 H new ATOM 0 HB3 HIS A 102 -1.198 3.480 4.475 1.00 11.32 H new ATOM 0 HD2 HIS A 102 0.098 5.595 1.537 1.00 35.34 H new ATOM 0 HE1 HIS A 102 -2.109 2.429 -0.227 1.00 10.40 H new ATOM 0 HE2 HIS A 102 -0.494 4.366 -0.726 1.00 61.04 H new ATOM 1471 N PHE A 103 -3.524 5.387 5.983 1.00 45.35 N ATOM 1472 CA PHE A 103 -4.805 5.065 6.611 1.00 64.41 C ATOM 1473 C PHE A 103 -5.086 3.551 6.717 1.00 42.04 C ATOM 1474 O PHE A 103 -6.244 3.142 6.833 1.00 34.11 O ATOM 1475 CB PHE A 103 -5.908 5.911 5.942 1.00 22.14 C ATOM 1476 CG PHE A 103 -5.907 7.358 6.403 1.00 64.02 C ATOM 1477 CD1 PHE A 103 -6.070 7.653 7.771 1.00 42.21 C ATOM 1478 CD2 PHE A 103 -5.771 8.411 5.478 1.00 21.40 C ATOM 1479 CE1 PHE A 103 -6.084 8.983 8.214 1.00 45.35 C ATOM 1480 CE2 PHE A 103 -5.835 9.744 5.916 1.00 21.10 C ATOM 1481 CZ PHE A 103 -5.978 10.029 7.286 1.00 14.33 C ATOM 0 H PHE A 103 -2.901 5.924 6.587 1.00 45.35 H new ATOM 0 HA PHE A 103 -4.777 5.346 7.664 1.00 64.41 H new ATOM 0 HB2 PHE A 103 -5.776 5.880 4.860 1.00 22.14 H new ATOM 0 HB3 PHE A 103 -6.880 5.467 6.158 1.00 22.14 H new ATOM 0 HD1 PHE A 103 -6.185 6.849 8.483 1.00 42.21 H new ATOM 0 HD2 PHE A 103 -5.617 8.194 4.431 1.00 21.40 H new ATOM 0 HE1 PHE A 103 -6.176 9.202 9.268 1.00 45.35 H new ATOM 0 HE2 PHE A 103 -5.774 10.551 5.200 1.00 21.10 H new ATOM 0 HZ PHE A 103 -6.006 11.055 7.624 1.00 14.33 H new ATOM 1490 N LEU A 104 -4.023 2.731 6.748 1.00 72.54 N ATOM 1491 CA LEU A 104 -4.050 1.297 7.057 1.00 11.32 C ATOM 1492 C LEU A 104 -4.579 1.046 8.481 1.00 51.32 C ATOM 1493 O LEU A 104 -4.852 1.984 9.239 1.00 2.22 O ATOM 1494 CB LEU A 104 -2.638 0.680 6.859 1.00 71.31 C ATOM 1495 CG LEU A 104 -2.159 0.630 5.390 1.00 44.15 C ATOM 1496 CD1 LEU A 104 -0.636 0.446 5.355 1.00 4.24 C ATOM 1497 CD2 LEU A 104 -2.824 -0.495 4.591 1.00 14.42 C ATOM 0 H LEU A 104 -3.081 3.067 6.549 1.00 72.54 H new ATOM 0 HA LEU A 104 -4.736 0.806 6.367 1.00 11.32 H new ATOM 0 HB2 LEU A 104 -1.919 1.255 7.443 1.00 71.31 H new ATOM 0 HB3 LEU A 104 -2.638 -0.333 7.262 1.00 71.31 H new ATOM 0 HG LEU A 104 -2.444 1.573 4.924 1.00 44.15 H new ATOM 0 HD11 LEU A 104 -0.297 0.411 4.320 1.00 4.24 H new ATOM 0 HD12 LEU A 104 -0.157 1.282 5.865 1.00 4.24 H new ATOM 0 HD13 LEU A 104 -0.370 -0.485 5.856 1.00 4.24 H new ATOM 0 HD21 LEU A 104 -2.451 -0.484 3.567 1.00 14.42 H new ATOM 0 HD22 LEU A 104 -2.591 -1.455 5.051 1.00 14.42 H new ATOM 0 HD23 LEU A 104 -3.904 -0.348 4.585 1.00 14.42 H new ATOM 1508 N THR A 105 -4.712 -0.223 8.868 1.00 14.00 N ATOM 1509 CA THR A 105 -5.113 -0.665 10.211 1.00 10.12 C ATOM 1510 C THR A 105 -4.207 -1.822 10.680 1.00 2.31 C ATOM 1511 O THR A 105 -4.646 -2.693 11.427 1.00 32.13 O ATOM 1512 CB THR A 105 -6.629 -0.984 10.197 1.00 41.42 C ATOM 1513 OG1 THR A 105 -7.085 -1.315 11.490 1.00 52.44 O ATOM 1514 CG2 THR A 105 -7.026 -2.119 9.244 1.00 21.52 C ATOM 0 H THR A 105 -4.538 -1.003 8.234 1.00 14.00 H new ATOM 0 HA THR A 105 -4.971 0.121 10.953 1.00 10.12 H new ATOM 0 HB THR A 105 -7.100 -0.070 9.835 1.00 41.42 H new ATOM 0 HG1 THR A 105 -6.422 -1.884 11.935 1.00 52.44 H new ATOM 0 HG21 THR A 105 -8.103 -2.277 9.296 1.00 21.52 H new ATOM 0 HG22 THR A 105 -6.747 -1.853 8.225 1.00 21.52 H new ATOM 0 HG23 THR A 105 -6.510 -3.035 9.534 1.00 21.52 H new ATOM 1522 N GLU A 106 -2.971 -1.890 10.179 1.00 41.25 N ATOM 1523 CA GLU A 106 -2.078 -3.041 10.309 1.00 30.34 C ATOM 1524 C GLU A 106 -0.647 -2.547 10.634 1.00 53.31 C ATOM 1525 O GLU A 106 -0.359 -1.357 10.436 1.00 74.34 O ATOM 1526 CB GLU A 106 -2.146 -3.822 8.983 1.00 10.34 C ATOM 1527 CG GLU A 106 -3.462 -4.602 8.769 1.00 50.43 C ATOM 1528 CD GLU A 106 -3.582 -5.182 7.349 1.00 71.22 C ATOM 1529 OE1 GLU A 106 -3.208 -4.495 6.366 1.00 63.44 O ATOM 1530 OE2 GLU A 106 -4.191 -6.262 7.160 1.00 74.53 O ATOM 0 H GLU A 106 -2.552 -1.121 9.656 1.00 41.25 H new ATOM 0 HA GLU A 106 -2.375 -3.701 11.124 1.00 30.34 H new ATOM 0 HB2 GLU A 106 -2.013 -3.124 8.157 1.00 10.34 H new ATOM 0 HB3 GLU A 106 -1.312 -4.523 8.945 1.00 10.34 H new ATOM 0 HG2 GLU A 106 -3.521 -5.413 9.495 1.00 50.43 H new ATOM 0 HG3 GLU A 106 -4.307 -3.941 8.960 1.00 50.43 H new ATOM 1535 N PRO A 107 0.250 -3.395 11.174 1.00 2.02 N ATOM 1536 CA PRO A 107 1.592 -2.989 11.583 1.00 71.53 C ATOM 1537 C PRO A 107 2.508 -2.724 10.384 1.00 3.32 C ATOM 1538 O PRO A 107 2.411 -3.397 9.356 1.00 52.05 O ATOM 1539 CB PRO A 107 2.112 -4.133 12.449 1.00 64.21 C ATOM 1540 CG PRO A 107 1.375 -5.356 11.911 1.00 42.15 C ATOM 1541 CD PRO A 107 0.013 -4.788 11.528 1.00 42.31 C ATOM 0 HA PRO A 107 1.570 -2.046 12.129 1.00 71.53 H new ATOM 0 HB2 PRO A 107 3.193 -4.245 12.359 1.00 64.21 H new ATOM 0 HB3 PRO A 107 1.896 -3.967 13.504 1.00 64.21 H new ATOM 0 HG2 PRO A 107 1.887 -5.792 11.053 1.00 42.15 H new ATOM 0 HG3 PRO A 107 1.289 -6.140 12.663 1.00 42.15 H new ATOM 0 HD2 PRO A 107 -0.418 -5.337 10.691 1.00 42.31 H new ATOM 0 HD3 PRO A 107 -0.691 -4.867 12.357 1.00 42.31 H new ATOM 1546 N VAL A 108 3.443 -1.780 10.537 1.00 21.31 N ATOM 1547 CA VAL A 108 4.347 -1.360 9.469 1.00 14.12 C ATOM 1548 C VAL A 108 5.772 -1.356 10.023 1.00 14.43 C ATOM 1549 O VAL A 108 6.065 -0.621 10.968 1.00 21.20 O ATOM 1550 CB VAL A 108 3.930 0.005 8.866 1.00 12.41 C ATOM 1551 CG1 VAL A 108 4.658 0.349 7.553 1.00 73.34 C ATOM 1552 CG2 VAL A 108 2.421 0.109 8.586 1.00 71.44 C ATOM 0 H VAL A 108 3.592 -1.283 11.415 1.00 21.31 H new ATOM 0 HA VAL A 108 4.295 -2.063 8.638 1.00 14.12 H new ATOM 0 HB VAL A 108 4.218 0.714 9.642 1.00 12.41 H new ATOM 0 HG11 VAL A 108 4.315 1.318 7.190 1.00 73.34 H new ATOM 0 HG12 VAL A 108 5.732 0.388 7.732 1.00 73.34 H new ATOM 0 HG13 VAL A 108 4.442 -0.415 6.806 1.00 73.34 H new ATOM 0 HG21 VAL A 108 2.196 1.089 8.165 1.00 71.44 H new ATOM 0 HG22 VAL A 108 2.128 -0.666 7.878 1.00 71.44 H new ATOM 0 HG23 VAL A 108 1.868 -0.022 9.516 1.00 71.44 H new ATOM 1562 N GLU A 109 6.646 -2.177 9.452 1.00 23.04 N ATOM 1563 CA GLU A 109 8.089 -2.146 9.650 1.00 73.31 C ATOM 1564 C GLU A 109 8.691 -0.910 8.979 1.00 61.13 C ATOM 1565 O GLU A 109 8.026 -0.142 8.281 1.00 53.52 O ATOM 1566 CB GLU A 109 8.693 -3.424 9.043 1.00 61.42 C ATOM 1567 CG GLU A 109 8.952 -4.510 10.087 1.00 71.34 C ATOM 1568 CD GLU A 109 10.341 -4.342 10.691 1.00 22.40 C ATOM 1569 OE1 GLU A 109 10.729 -3.212 11.040 1.00 23.01 O ATOM 1570 OE2 GLU A 109 11.088 -5.355 10.734 1.00 54.43 O ATOM 0 H GLU A 109 6.355 -2.914 8.810 1.00 23.04 H new ATOM 0 HA GLU A 109 8.314 -2.098 10.715 1.00 73.31 H new ATOM 0 HB2 GLU A 109 8.018 -3.813 8.281 1.00 61.42 H new ATOM 0 HB3 GLU A 109 9.629 -3.176 8.543 1.00 61.42 H new ATOM 0 HG2 GLU A 109 8.198 -4.457 10.872 1.00 71.34 H new ATOM 0 HG3 GLU A 109 8.864 -5.494 9.627 1.00 71.34 H new ATOM 1575 N SER A 110 9.972 -0.688 9.202 1.00 54.35 N ATOM 1576 CA SER A 110 10.713 0.447 8.676 1.00 33.34 C ATOM 1577 C SER A 110 12.193 0.141 8.621 1.00 72.33 C ATOM 1578 O SER A 110 12.988 1.020 8.216 1.00 40.43 O ATOM 1579 CB SER A 110 10.371 1.703 9.477 1.00 41.42 C ATOM 1580 OG SER A 110 10.299 1.495 10.876 1.00 43.13 O ATOM 0 H SER A 110 10.545 -1.311 9.771 1.00 54.35 H new ATOM 0 HA SER A 110 10.416 0.643 7.646 1.00 33.34 H new ATOM 0 HB2 SER A 110 11.121 2.467 9.272 1.00 41.42 H new ATOM 0 HB3 SER A 110 9.415 2.094 9.129 1.00 41.42 H new ATOM 0 HG SER A 110 10.079 2.340 11.321 1.00 43.13 H new