USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 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 Set 1.1: A 53 SER OG : rot 158:sc= 0.864 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.921 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -130:sc= 0.213 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0545) USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 1.17 (180deg=0.615) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 65 MET CE :methyl 156:sc= -0.0634 (180deg=-0.54) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -31:sc= 0.103 USER MOD Single : A 102 HIS : no HD1:sc= -0.0423 K(o=-0.042,f=-1.7) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -11.762 -12.219 5.411 1.00 55.31 N ATOM 42 CA LEU A 4 -11.546 -11.044 4.573 1.00 61.23 C ATOM 43 C LEU A 4 -11.116 -11.525 3.179 1.00 71.21 C ATOM 44 O LEU A 4 -10.867 -12.723 2.981 1.00 24.10 O ATOM 45 CB LEU A 4 -10.495 -10.145 5.262 1.00 71.13 C ATOM 46 CG LEU A 4 -11.025 -9.527 6.580 1.00 2.24 C ATOM 47 CD1 LEU A 4 -9.946 -9.229 7.628 1.00 62.01 C ATOM 48 CD2 LEU A 4 -11.812 -8.259 6.267 1.00 41.15 C ATOM 0 HA LEU A 4 -12.449 -10.447 4.448 1.00 61.23 H new ATOM 0 HB2 LEU A 4 -9.600 -10.731 5.472 1.00 71.13 H new ATOM 0 HB3 LEU A 4 -10.201 -9.346 4.581 1.00 71.13 H new ATOM 0 HG LEU A 4 -11.666 -10.285 7.031 1.00 2.24 H new ATOM 0 HD11 LEU A 4 -10.410 -8.799 8.516 1.00 62.01 H new ATOM 0 HD12 LEU A 4 -9.435 -10.153 7.897 1.00 62.01 H new ATOM 0 HD13 LEU A 4 -9.225 -8.522 7.217 1.00 62.01 H new ATOM 0 HD21 LEU A 4 -12.185 -7.824 7.194 1.00 41.15 H new ATOM 0 HD22 LEU A 4 -11.162 -7.542 5.765 1.00 41.15 H new ATOM 0 HD23 LEU A 4 -12.652 -8.503 5.617 1.00 41.15 H new ATOM 59 N SER A 5 -11.034 -10.605 2.213 1.00 40.23 N ATOM 60 CA SER A 5 -10.508 -10.855 0.873 1.00 35.34 C ATOM 61 C SER A 5 -9.613 -9.686 0.451 1.00 34.43 C ATOM 62 O SER A 5 -9.651 -8.631 1.086 1.00 20.32 O ATOM 63 CB SER A 5 -11.657 -11.037 -0.131 1.00 73.02 C ATOM 64 OG SER A 5 -12.676 -11.883 0.373 1.00 31.02 O ATOM 0 H SER A 5 -11.340 -9.641 2.348 1.00 40.23 H new ATOM 0 HA SER A 5 -9.920 -11.772 0.886 1.00 35.34 H new ATOM 0 HB2 SER A 5 -12.082 -10.064 -0.375 1.00 73.02 H new ATOM 0 HB3 SER A 5 -11.265 -11.455 -1.058 1.00 73.02 H new ATOM 0 HG SER A 5 -13.388 -11.971 -0.295 1.00 31.02 H new ATOM 69 N THR A 6 -8.857 -9.834 -0.639 1.00 0.10 N ATOM 70 CA THR A 6 -7.910 -8.831 -1.096 1.00 32.23 C ATOM 71 C THR A 6 -8.639 -7.522 -1.405 1.00 1.13 C ATOM 72 O THR A 6 -8.246 -6.459 -0.920 1.00 55.03 O ATOM 73 CB THR A 6 -7.077 -9.374 -2.270 1.00 54.24 C ATOM 74 OG1 THR A 6 -6.421 -10.580 -1.896 1.00 1.23 O ATOM 75 CG2 THR A 6 -6.037 -8.329 -2.657 1.00 4.31 C ATOM 0 H THR A 6 -8.890 -10.664 -1.231 1.00 0.10 H new ATOM 0 HA THR A 6 -7.196 -8.603 -0.305 1.00 32.23 H new ATOM 0 HB THR A 6 -7.735 -9.583 -3.114 1.00 54.24 H new ATOM 0 HG1 THR A 6 -5.472 -10.524 -2.134 1.00 1.23 H new ATOM 0 HG21 THR A 6 -5.439 -8.701 -3.489 1.00 4.31 H new ATOM 0 HG22 THR A 6 -6.539 -7.409 -2.955 1.00 4.31 H new ATOM 0 HG23 THR A 6 -5.388 -8.129 -1.805 1.00 4.31 H new ATOM 83 N ASP A 7 -9.736 -7.607 -2.163 1.00 73.11 N ATOM 84 CA ASP A 7 -10.550 -6.437 -2.496 1.00 52.44 C ATOM 85 C ASP A 7 -11.089 -5.741 -1.232 1.00 75.55 C ATOM 86 O ASP A 7 -11.187 -4.517 -1.211 1.00 11.13 O ATOM 87 CB ASP A 7 -11.673 -6.867 -3.446 1.00 74.54 C ATOM 88 CG ASP A 7 -12.698 -5.760 -3.743 1.00 30.20 C ATOM 89 OD1 ASP A 7 -13.680 -5.637 -2.973 1.00 33.33 O ATOM 90 OD2 ASP A 7 -12.598 -5.104 -4.807 1.00 64.13 O ATOM 0 H ASP A 7 -10.082 -8.481 -2.559 1.00 73.11 H new ATOM 0 HA ASP A 7 -9.929 -5.697 -3.001 1.00 52.44 H new ATOM 0 HB2 ASP A 7 -11.232 -7.202 -4.385 1.00 74.54 H new ATOM 0 HB3 ASP A 7 -12.192 -7.723 -3.015 1.00 74.54 H new ATOM 94 N ILE A 8 -11.364 -6.491 -0.151 1.00 32.32 N ATOM 95 CA ILE A 8 -11.892 -5.944 1.101 1.00 61.44 C ATOM 96 C ILE A 8 -10.889 -4.986 1.724 1.00 3.03 C ATOM 97 O ILE A 8 -11.256 -3.865 2.069 1.00 0.44 O ATOM 98 CB ILE A 8 -12.278 -7.015 2.139 1.00 33.40 C ATOM 99 CG1 ILE A 8 -13.284 -8.021 1.569 1.00 22.24 C ATOM 100 CG2 ILE A 8 -12.833 -6.342 3.406 1.00 35.22 C ATOM 101 CD1 ILE A 8 -14.685 -7.483 1.301 1.00 52.21 C ATOM 0 H ILE A 8 -11.223 -7.501 -0.126 1.00 32.32 H new ATOM 0 HA ILE A 8 -12.809 -5.421 0.828 1.00 61.44 H new ATOM 0 HB ILE A 8 -11.379 -7.574 2.399 1.00 33.40 H new ATOM 0 HG12 ILE A 8 -12.883 -8.417 0.636 1.00 22.24 H new ATOM 0 HG13 ILE A 8 -13.364 -8.858 2.262 1.00 22.24 H new ATOM 0 HG21 ILE A 8 -13.104 -7.106 4.135 1.00 35.22 H new ATOM 0 HG22 ILE A 8 -12.074 -5.686 3.832 1.00 35.22 H new ATOM 0 HG23 ILE A 8 -13.716 -5.756 3.150 1.00 35.22 H new ATOM 0 HD11 ILE A 8 -15.310 -8.281 0.900 1.00 52.21 H new ATOM 0 HD12 ILE A 8 -15.118 -7.116 2.231 1.00 52.21 H new ATOM 0 HD13 ILE A 8 -14.630 -6.668 0.580 1.00 52.21 H new ATOM 112 N TRP A 9 -9.653 -5.439 1.940 1.00 71.15 N ATOM 113 CA TRP A 9 -8.700 -4.619 2.666 1.00 74.51 C ATOM 114 C TRP A 9 -8.410 -3.350 1.889 1.00 55.31 C ATOM 115 O TRP A 9 -8.424 -2.280 2.493 1.00 44.13 O ATOM 116 CB TRP A 9 -7.405 -5.360 2.936 1.00 73.11 C ATOM 117 CG TRP A 9 -7.520 -6.621 3.727 1.00 60.41 C ATOM 118 CD1 TRP A 9 -7.951 -6.731 5.001 1.00 15.12 C ATOM 119 CD2 TRP A 9 -7.153 -7.967 3.313 1.00 55.42 C ATOM 120 NE1 TRP A 9 -7.850 -8.047 5.402 1.00 71.33 N ATOM 121 CE2 TRP A 9 -7.404 -8.864 4.387 1.00 62.15 C ATOM 122 CE3 TRP A 9 -6.566 -8.506 2.154 1.00 1.21 C ATOM 123 CZ2 TRP A 9 -7.128 -10.238 4.294 1.00 1.42 C ATOM 124 CZ3 TRP A 9 -6.305 -9.884 2.035 1.00 23.22 C ATOM 125 CH2 TRP A 9 -6.598 -10.754 3.100 1.00 32.01 C ATOM 0 H TRP A 9 -9.301 -6.345 1.630 1.00 71.15 H new ATOM 0 HA TRP A 9 -9.148 -4.370 3.628 1.00 74.51 H new ATOM 0 HB2 TRP A 9 -6.940 -5.597 1.979 1.00 73.11 H new ATOM 0 HB3 TRP A 9 -6.728 -4.686 3.461 1.00 73.11 H new ATOM 0 HD1 TRP A 9 -8.317 -5.918 5.610 1.00 15.12 H new ATOM 0 HE1 TRP A 9 -8.079 -8.376 6.340 1.00 71.33 H new ATOM 0 HE3 TRP A 9 -6.310 -7.848 1.337 1.00 1.21 H new ATOM 0 HZ2 TRP A 9 -7.321 -10.891 5.132 1.00 1.42 H new ATOM 0 HZ3 TRP A 9 -5.878 -10.274 1.123 1.00 23.22 H new ATOM 0 HH2 TRP A 9 -6.416 -11.814 3.000 1.00 32.01 H new ATOM 135 N VAL A 10 -8.213 -3.455 0.568 1.00 63.25 N ATOM 136 CA VAL A 10 -8.029 -2.291 -0.280 1.00 13.12 C ATOM 137 C VAL A 10 -9.229 -1.358 -0.104 1.00 21.54 C ATOM 138 O VAL A 10 -9.021 -0.178 0.165 1.00 73.24 O ATOM 139 CB VAL A 10 -7.789 -2.715 -1.742 1.00 43.33 C ATOM 140 CG1 VAL A 10 -7.661 -1.472 -2.636 1.00 15.14 C ATOM 141 CG2 VAL A 10 -6.505 -3.557 -1.854 1.00 34.21 C ATOM 0 H VAL A 10 -8.178 -4.344 0.070 1.00 63.25 H new ATOM 0 HA VAL A 10 -7.137 -1.739 0.015 1.00 13.12 H new ATOM 0 HB VAL A 10 -8.638 -3.314 -2.070 1.00 43.33 H new ATOM 0 HG11 VAL A 10 -7.492 -1.781 -3.667 1.00 15.14 H new ATOM 0 HG12 VAL A 10 -8.579 -0.887 -2.579 1.00 15.14 H new ATOM 0 HG13 VAL A 10 -6.822 -0.865 -2.297 1.00 15.14 H new ATOM 0 HG21 VAL A 10 -6.350 -3.848 -2.893 1.00 34.21 H new ATOM 0 HG22 VAL A 10 -5.653 -2.969 -1.511 1.00 34.21 H new ATOM 0 HG23 VAL A 10 -6.601 -4.451 -1.237 1.00 34.21 H new ATOM 151 N ALA A 11 -10.461 -1.872 -0.199 1.00 55.44 N ATOM 152 CA ALA A 11 -11.662 -1.064 -0.056 1.00 61.45 C ATOM 153 C ALA A 11 -11.680 -0.310 1.278 1.00 4.41 C ATOM 154 O ALA A 11 -11.969 0.886 1.301 1.00 4.43 O ATOM 155 CB ALA A 11 -12.912 -1.943 -0.201 1.00 44.13 C ATOM 0 H ALA A 11 -10.646 -2.859 -0.377 1.00 55.44 H new ATOM 0 HA ALA A 11 -11.662 -0.318 -0.851 1.00 61.45 H new ATOM 0 HB1 ALA A 11 -13.805 -1.327 -0.092 1.00 44.13 H new ATOM 0 HB2 ALA A 11 -12.914 -2.414 -1.184 1.00 44.13 H new ATOM 0 HB3 ALA A 11 -12.907 -2.713 0.570 1.00 44.13 H new ATOM 161 N ALA A 12 -11.382 -1.010 2.374 1.00 71.54 N ATOM 162 CA ALA A 12 -11.426 -0.524 3.743 1.00 75.24 C ATOM 163 C ALA A 12 -10.417 0.606 3.943 1.00 42.33 C ATOM 164 O ALA A 12 -10.770 1.712 4.353 1.00 4.23 O ATOM 165 CB ALA A 12 -11.158 -1.717 4.679 1.00 52.34 C ATOM 0 H ALA A 12 -11.088 -1.985 2.321 1.00 71.54 H new ATOM 0 HA ALA A 12 -12.406 -0.105 3.973 1.00 75.24 H new ATOM 0 HB1 ALA A 12 -11.185 -1.380 5.715 1.00 52.34 H new ATOM 0 HB2 ALA A 12 -11.922 -2.479 4.525 1.00 52.34 H new ATOM 0 HB3 ALA A 12 -10.177 -2.138 4.460 1.00 52.34 H new ATOM 171 N LEU A 13 -9.154 0.295 3.687 1.00 33.22 N ATOM 172 CA LEU A 13 -7.990 1.153 3.625 1.00 40.45 C ATOM 173 C LEU A 13 -8.264 2.420 2.806 1.00 52.25 C ATOM 174 O LEU A 13 -8.137 3.516 3.351 1.00 11.12 O ATOM 175 CB LEU A 13 -6.828 0.296 3.088 1.00 24.43 C ATOM 176 CG LEU A 13 -5.569 1.101 2.752 1.00 20.11 C ATOM 177 CD1 LEU A 13 -4.931 1.599 4.049 1.00 41.22 C ATOM 178 CD2 LEU A 13 -4.566 0.205 2.017 1.00 75.14 C ATOM 0 H LEU A 13 -8.897 -0.674 3.497 1.00 33.22 H new ATOM 0 HA LEU A 13 -7.722 1.532 4.611 1.00 40.45 H new ATOM 0 HB2 LEU A 13 -6.576 -0.462 3.829 1.00 24.43 H new ATOM 0 HB3 LEU A 13 -7.161 -0.231 2.193 1.00 24.43 H new ATOM 0 HG LEU A 13 -5.838 1.946 2.118 1.00 20.11 H new ATOM 0 HD11 LEU A 13 -4.034 2.173 3.816 1.00 41.22 H new ATOM 0 HD12 LEU A 13 -5.639 2.233 4.583 1.00 41.22 H new ATOM 0 HD13 LEU A 13 -4.664 0.747 4.674 1.00 41.22 H new ATOM 0 HD21 LEU A 13 -3.671 0.780 1.779 1.00 75.14 H new ATOM 0 HD22 LEU A 13 -4.297 -0.638 2.653 1.00 75.14 H new ATOM 0 HD23 LEU A 13 -5.016 -0.165 1.095 1.00 75.14 H new ATOM 189 N ILE A 14 -8.650 2.289 1.534 1.00 0.14 N ATOM 190 CA ILE A 14 -8.959 3.423 0.659 1.00 40.22 C ATOM 191 C ILE A 14 -10.047 4.281 1.279 1.00 0.41 C ATOM 192 O ILE A 14 -9.918 5.502 1.318 1.00 34.34 O ATOM 193 CB ILE A 14 -9.352 2.920 -0.753 1.00 2.13 C ATOM 194 CG1 ILE A 14 -8.106 2.454 -1.534 1.00 24.11 C ATOM 195 CG2 ILE A 14 -10.156 3.936 -1.593 1.00 0.13 C ATOM 196 CD1 ILE A 14 -7.061 3.548 -1.735 1.00 14.31 C ATOM 0 H ILE A 14 -8.758 1.383 1.078 1.00 0.14 H new ATOM 0 HA ILE A 14 -8.072 4.046 0.549 1.00 40.22 H new ATOM 0 HB ILE A 14 -10.022 2.077 -0.581 1.00 2.13 H new ATOM 0 HG12 ILE A 14 -7.647 1.619 -1.004 1.00 24.11 H new ATOM 0 HG13 ILE A 14 -8.419 2.079 -2.509 1.00 24.11 H new ATOM 0 HG21 ILE A 14 -10.388 3.501 -2.565 1.00 0.13 H new ATOM 0 HG22 ILE A 14 -11.083 4.184 -1.075 1.00 0.13 H new ATOM 0 HG23 ILE A 14 -9.565 4.841 -1.732 1.00 0.13 H new ATOM 0 HD11 ILE A 14 -6.215 3.145 -2.292 1.00 14.31 H new ATOM 0 HD12 ILE A 14 -7.502 4.374 -2.293 1.00 14.31 H new ATOM 0 HD13 ILE A 14 -6.719 3.907 -0.764 1.00 14.31 H new ATOM 207 N ARG A 15 -11.110 3.649 1.780 1.00 72.33 N ATOM 208 CA ARG A 15 -12.240 4.376 2.347 1.00 72.21 C ATOM 209 C ARG A 15 -11.778 5.283 3.470 1.00 60.13 C ATOM 210 O ARG A 15 -12.197 6.431 3.517 1.00 62.24 O ATOM 211 CB ARG A 15 -13.337 3.412 2.830 1.00 40.34 C ATOM 212 CG ARG A 15 -14.369 3.143 1.732 1.00 43.11 C ATOM 213 CD ARG A 15 -15.311 4.345 1.604 1.00 32.52 C ATOM 214 NE ARG A 15 -16.374 4.107 0.622 1.00 42.12 N ATOM 215 CZ ARG A 15 -16.318 4.388 -0.687 1.00 12.21 C ATOM 216 NH1 ARG A 15 -15.228 4.912 -1.241 1.00 32.55 N ATOM 217 NH2 ARG A 15 -17.394 4.143 -1.429 1.00 34.12 N ATOM 0 H ARG A 15 -11.209 2.634 1.803 1.00 72.33 H new ATOM 0 HA ARG A 15 -12.672 4.997 1.562 1.00 72.21 H new ATOM 0 HB2 ARG A 15 -12.884 2.471 3.144 1.00 40.34 H new ATOM 0 HB3 ARG A 15 -13.835 3.833 3.703 1.00 40.34 H new ATOM 0 HG2 ARG A 15 -13.865 2.961 0.783 1.00 43.11 H new ATOM 0 HG3 ARG A 15 -14.940 2.245 1.968 1.00 43.11 H new ATOM 0 HD2 ARG A 15 -15.756 4.562 2.575 1.00 32.52 H new ATOM 0 HD3 ARG A 15 -14.738 5.225 1.312 1.00 32.52 H new ATOM 0 HE ARG A 15 -17.237 3.688 0.968 1.00 42.12 H new ATOM 0 HH11 ARG A 15 -14.409 5.109 -0.667 1.00 32.55 H new ATOM 0 HH12 ARG A 15 -15.212 5.116 -2.240 1.00 32.55 H new ATOM 0 HH21 ARG A 15 -18.232 3.752 -0.999 1.00 34.12 H new ATOM 0 HH22 ARG A 15 -17.381 4.347 -2.428 1.00 34.12 H new ATOM 228 N ARG A 16 -10.934 4.779 4.369 1.00 64.50 N ATOM 229 CA ARG A 16 -10.379 5.552 5.478 1.00 41.42 C ATOM 230 C ARG A 16 -9.662 6.795 4.954 1.00 31.13 C ATOM 231 O ARG A 16 -9.965 7.894 5.416 1.00 32.35 O ATOM 232 CB ARG A 16 -9.439 4.652 6.302 1.00 24.21 C ATOM 233 CG ARG A 16 -10.207 3.508 6.975 1.00 53.02 C ATOM 234 CD ARG A 16 -9.379 2.233 7.194 1.00 23.52 C ATOM 235 NE ARG A 16 -10.031 1.420 8.228 1.00 60.03 N ATOM 236 CZ ARG A 16 -11.217 0.810 8.118 1.00 62.12 C ATOM 237 NH1 ARG A 16 -11.863 0.734 6.958 1.00 73.30 N ATOM 238 NH2 ARG A 16 -11.762 0.284 9.202 1.00 40.12 N ATOM 0 H ARG A 16 -10.613 3.811 4.347 1.00 64.50 H new ATOM 0 HA ARG A 16 -11.183 5.896 6.129 1.00 41.42 H new ATOM 0 HB2 ARG A 16 -8.666 4.241 5.653 1.00 24.21 H new ATOM 0 HB3 ARG A 16 -8.934 5.249 7.061 1.00 24.21 H new ATOM 0 HG2 ARG A 16 -10.581 3.854 7.939 1.00 53.02 H new ATOM 0 HG3 ARG A 16 -11.077 3.262 6.366 1.00 53.02 H new ATOM 0 HD2 ARG A 16 -9.300 1.669 6.264 1.00 23.52 H new ATOM 0 HD3 ARG A 16 -8.364 2.489 7.499 1.00 23.52 H new ATOM 0 HE ARG A 16 -9.534 1.310 9.112 1.00 60.03 H new ATOM 0 HH11 ARG A 16 -11.456 1.148 6.119 1.00 73.30 H new ATOM 0 HH12 ARG A 16 -12.766 0.262 6.907 1.00 73.30 H new ATOM 0 HH21 ARG A 16 -11.279 0.348 10.098 1.00 40.12 H new ATOM 0 HH22 ARG A 16 -12.665 -0.186 9.142 1.00 40.12 H new ATOM 249 N ALA A 17 -8.734 6.617 4.013 1.00 61.44 N ATOM 250 CA ALA A 17 -7.937 7.695 3.442 1.00 41.44 C ATOM 251 C ALA A 17 -8.800 8.757 2.756 1.00 3.14 C ATOM 252 O ALA A 17 -8.656 9.948 3.026 1.00 53.24 O ATOM 253 CB ALA A 17 -6.958 7.087 2.445 1.00 21.31 C ATOM 0 H ALA A 17 -8.514 5.701 3.621 1.00 61.44 H new ATOM 0 HA ALA A 17 -7.405 8.200 4.249 1.00 41.44 H new ATOM 0 HB1 ALA A 17 -6.350 7.877 2.004 1.00 21.31 H new ATOM 0 HB2 ALA A 17 -6.312 6.375 2.958 1.00 21.31 H new ATOM 0 HB3 ALA A 17 -7.511 6.574 1.659 1.00 21.31 H new ATOM 259 N GLU A 18 -9.700 8.322 1.872 1.00 11.01 N ATOM 260 CA GLU A 18 -10.619 9.191 1.146 1.00 52.01 C ATOM 261 C GLU A 18 -11.471 10.002 2.117 1.00 53.04 C ATOM 262 O GLU A 18 -11.678 11.198 1.912 1.00 44.41 O ATOM 263 CB GLU A 18 -11.561 8.344 0.291 1.00 60.11 C ATOM 264 CG GLU A 18 -11.059 8.043 -1.123 1.00 14.25 C ATOM 265 CD GLU A 18 -12.160 7.284 -1.896 1.00 42.33 C ATOM 266 OE1 GLU A 18 -12.862 6.419 -1.315 1.00 63.40 O ATOM 267 OE2 GLU A 18 -12.431 7.617 -3.076 1.00 40.22 O ATOM 0 H GLU A 18 -9.810 7.335 1.638 1.00 11.01 H new ATOM 0 HA GLU A 18 -10.028 9.862 0.522 1.00 52.01 H new ATOM 0 HB2 GLU A 18 -11.742 7.400 0.804 1.00 60.11 H new ATOM 0 HB3 GLU A 18 -12.520 8.857 0.218 1.00 60.11 H new ATOM 0 HG2 GLU A 18 -10.808 8.970 -1.639 1.00 14.25 H new ATOM 0 HG3 GLU A 18 -10.149 7.445 -1.080 1.00 14.25 H new ATOM 272 N LEU A 19 -11.977 9.364 3.176 1.00 22.24 N ATOM 273 CA LEU A 19 -12.801 10.018 4.186 1.00 71.30 C ATOM 274 C LEU A 19 -12.043 11.119 4.905 1.00 60.11 C ATOM 275 O LEU A 19 -12.622 12.134 5.281 1.00 14.12 O ATOM 276 CB LEU A 19 -13.312 8.973 5.186 1.00 72.33 C ATOM 277 CG LEU A 19 -14.782 8.656 4.916 1.00 4.31 C ATOM 278 CD1 LEU A 19 -15.104 8.141 3.505 1.00 20.22 C ATOM 279 CD2 LEU A 19 -15.280 7.617 5.927 1.00 32.52 C ATOM 0 H LEU A 19 -11.823 8.372 3.354 1.00 22.24 H new ATOM 0 HA LEU A 19 -13.648 10.486 3.684 1.00 71.30 H new ATOM 0 HB2 LEU A 19 -12.716 8.063 5.108 1.00 72.33 H new ATOM 0 HB3 LEU A 19 -13.194 9.345 6.204 1.00 72.33 H new ATOM 0 HG LEU A 19 -15.291 9.615 5.014 1.00 4.31 H new ATOM 0 HD11 LEU A 19 -16.174 7.948 3.423 1.00 20.22 H new ATOM 0 HD12 LEU A 19 -14.813 8.891 2.769 1.00 20.22 H new ATOM 0 HD13 LEU A 19 -14.554 7.218 3.320 1.00 20.22 H new ATOM 0 HD21 LEU A 19 -16.329 7.393 5.732 1.00 32.52 H new ATOM 0 HD22 LEU A 19 -14.690 6.705 5.832 1.00 32.52 H new ATOM 0 HD23 LEU A 19 -15.175 8.013 6.937 1.00 32.52 H new ATOM 290 N GLY A 20 -10.741 10.927 5.065 1.00 54.31 N ATOM 291 CA GLY A 20 -9.789 11.933 5.513 1.00 71.44 C ATOM 292 C GLY A 20 -9.675 13.145 4.577 1.00 52.24 C ATOM 293 O GLY A 20 -8.936 14.074 4.894 1.00 41.03 O ATOM 0 H GLY A 20 -10.301 10.026 4.878 1.00 54.31 H new ATOM 0 HA2 GLY A 20 -10.081 12.279 6.505 1.00 71.44 H new ATOM 0 HA3 GLY A 20 -8.807 11.470 5.613 1.00 71.44 H new ATOM 297 N GLY A 21 -10.376 13.177 3.440 1.00 3.15 N ATOM 298 CA GLY A 21 -10.300 14.239 2.444 1.00 22.41 C ATOM 299 C GLY A 21 -9.058 14.137 1.566 1.00 60.12 C ATOM 300 O GLY A 21 -8.812 15.032 0.756 1.00 42.01 O ATOM 0 H GLY A 21 -11.032 12.439 3.183 1.00 3.15 H new ATOM 0 HA2 GLY A 21 -11.189 14.204 1.814 1.00 22.41 H new ATOM 0 HA3 GLY A 21 -10.304 15.205 2.949 1.00 22.41 H new ATOM 304 N ALA A 22 -8.259 13.084 1.739 1.00 31.32 N ATOM 305 CA ALA A 22 -6.993 12.917 1.055 1.00 51.13 C ATOM 306 C ALA A 22 -7.217 12.069 -0.205 1.00 23.51 C ATOM 307 O ALA A 22 -8.351 11.674 -0.509 1.00 71.14 O ATOM 308 CB ALA A 22 -5.984 12.363 2.062 1.00 61.11 C ATOM 0 H ALA A 22 -8.484 12.315 2.370 1.00 31.32 H new ATOM 0 HA ALA A 22 -6.571 13.854 0.692 1.00 51.13 H new ATOM 0 HB1 ALA A 22 -5.019 12.227 1.573 1.00 61.11 H new ATOM 0 HB2 ALA A 22 -5.875 13.063 2.891 1.00 61.11 H new ATOM 0 HB3 ALA A 22 -6.337 11.404 2.441 1.00 61.11 H new ATOM 314 N PHE A 23 -6.172 11.847 -1.001 1.00 12.44 N ATOM 315 CA PHE A 23 -6.313 11.391 -2.377 1.00 1.23 C ATOM 316 C PHE A 23 -5.749 9.988 -2.517 1.00 2.05 C ATOM 317 O PHE A 23 -4.607 9.785 -2.928 1.00 11.22 O ATOM 318 CB PHE A 23 -5.720 12.455 -3.317 1.00 51.30 C ATOM 319 CG PHE A 23 -6.066 12.300 -4.784 1.00 22.32 C ATOM 320 CD1 PHE A 23 -5.257 11.513 -5.627 1.00 32.44 C ATOM 321 CD2 PHE A 23 -7.190 12.963 -5.316 1.00 44.31 C ATOM 322 CE1 PHE A 23 -5.588 11.369 -6.986 1.00 64.21 C ATOM 323 CE2 PHE A 23 -7.515 12.822 -6.676 1.00 71.21 C ATOM 324 CZ PHE A 23 -6.714 12.027 -7.509 1.00 4.25 C ATOM 0 H PHE A 23 -5.204 11.979 -0.707 1.00 12.44 H new ATOM 0 HA PHE A 23 -7.357 11.292 -2.673 1.00 1.23 H new ATOM 0 HB2 PHE A 23 -6.058 13.436 -2.984 1.00 51.30 H new ATOM 0 HB3 PHE A 23 -4.635 12.440 -3.215 1.00 51.30 H new ATOM 0 HD1 PHE A 23 -4.382 11.020 -5.229 1.00 32.44 H new ATOM 0 HD2 PHE A 23 -7.803 13.581 -4.677 1.00 44.31 H new ATOM 0 HE1 PHE A 23 -4.977 10.752 -7.628 1.00 64.21 H new ATOM 0 HE2 PHE A 23 -8.381 13.326 -7.080 1.00 71.21 H new ATOM 0 HZ PHE A 23 -6.963 11.920 -8.554 1.00 4.25 H new ATOM 333 N ALA A 24 -6.584 9.007 -2.185 1.00 21.42 N ATOM 334 CA ALA A 24 -6.235 7.604 -2.219 1.00 21.24 C ATOM 335 C ALA A 24 -7.046 6.896 -3.291 1.00 3.32 C ATOM 336 O ALA A 24 -8.232 7.185 -3.446 1.00 13.23 O ATOM 337 CB ALA A 24 -6.513 7.004 -0.852 1.00 20.22 C ATOM 0 H ALA A 24 -7.542 9.177 -1.879 1.00 21.42 H new ATOM 0 HA ALA A 24 -5.179 7.484 -2.459 1.00 21.24 H new ATOM 0 HB1 ALA A 24 -6.255 5.945 -0.860 1.00 20.22 H new ATOM 0 HB2 ALA A 24 -5.914 7.518 -0.100 1.00 20.22 H new ATOM 0 HB3 ALA A 24 -7.570 7.118 -0.613 1.00 20.22 H new ATOM 343 N THR A 25 -6.431 5.944 -3.987 1.00 74.31 N ATOM 344 CA THR A 25 -7.114 5.045 -4.900 1.00 62.41 C ATOM 345 C THR A 25 -6.220 3.824 -5.161 1.00 64.21 C ATOM 346 O THR A 25 -5.089 3.742 -4.667 1.00 10.22 O ATOM 347 CB THR A 25 -7.543 5.797 -6.170 1.00 21.13 C ATOM 348 OG1 THR A 25 -8.393 4.977 -6.944 1.00 72.35 O ATOM 349 CG2 THR A 25 -6.341 6.246 -6.992 1.00 10.42 C ATOM 0 H THR A 25 -5.427 5.776 -3.928 1.00 74.31 H new ATOM 0 HA THR A 25 -8.039 4.670 -4.461 1.00 62.41 H new ATOM 0 HB THR A 25 -8.082 6.695 -5.868 1.00 21.13 H new ATOM 0 HG1 THR A 25 -8.666 5.460 -7.752 1.00 72.35 H new ATOM 0 HG21 THR A 25 -6.685 6.774 -7.881 1.00 10.42 H new ATOM 0 HG22 THR A 25 -5.719 6.911 -6.393 1.00 10.42 H new ATOM 0 HG23 THR A 25 -5.758 5.375 -7.290 1.00 10.42 H new ATOM 357 N VAL A 26 -6.727 2.859 -5.928 1.00 43.24 N ATOM 358 CA VAL A 26 -5.992 1.696 -6.379 1.00 10.14 C ATOM 359 C VAL A 26 -5.715 1.844 -7.881 1.00 24.13 C ATOM 360 O VAL A 26 -6.629 1.827 -8.711 1.00 52.25 O ATOM 361 CB VAL A 26 -6.698 0.408 -5.920 1.00 23.44 C ATOM 362 CG1 VAL A 26 -8.106 0.188 -6.485 1.00 14.31 C ATOM 363 CG2 VAL A 26 -5.816 -0.817 -6.189 1.00 50.44 C ATOM 0 H VAL A 26 -7.692 2.873 -6.259 1.00 43.24 H new ATOM 0 HA VAL A 26 -5.008 1.617 -5.917 1.00 10.14 H new ATOM 0 HB VAL A 26 -6.845 0.542 -4.848 1.00 23.44 H new ATOM 0 HG11 VAL A 26 -8.511 -0.747 -6.098 1.00 14.31 H new ATOM 0 HG12 VAL A 26 -8.751 1.014 -6.186 1.00 14.31 H new ATOM 0 HG13 VAL A 26 -8.058 0.140 -7.573 1.00 14.31 H new ATOM 0 HG21 VAL A 26 -6.333 -1.717 -5.857 1.00 50.44 H new ATOM 0 HG22 VAL A 26 -5.610 -0.889 -7.257 1.00 50.44 H new ATOM 0 HG23 VAL A 26 -4.877 -0.716 -5.644 1.00 50.44 H new ATOM 373 N ALA A 27 -4.433 2.016 -8.210 1.00 5.10 N ATOM 374 CA ALA A 27 -3.889 2.256 -9.540 1.00 1.11 C ATOM 375 C ALA A 27 -3.725 0.967 -10.356 1.00 1.04 C ATOM 376 O ALA A 27 -3.367 1.006 -11.535 1.00 21.23 O ATOM 377 CB ALA A 27 -2.515 2.902 -9.337 1.00 42.13 C ATOM 0 H ALA A 27 -3.700 1.989 -7.501 1.00 5.10 H new ATOM 0 HA ALA A 27 -4.576 2.891 -10.099 1.00 1.11 H new ATOM 0 HB1 ALA A 27 -2.061 3.104 -10.307 1.00 42.13 H new ATOM 0 HB2 ALA A 27 -2.630 3.837 -8.789 1.00 42.13 H new ATOM 0 HB3 ALA A 27 -1.875 2.225 -8.771 1.00 42.13 H new ATOM 383 N ARG A 28 -3.915 -0.201 -9.736 1.00 50.35 N ATOM 384 CA ARG A 28 -3.696 -1.503 -10.360 1.00 1.44 C ATOM 385 C ARG A 28 -4.626 -2.512 -9.718 1.00 44.24 C ATOM 386 O ARG A 28 -4.722 -2.542 -8.489 1.00 23.14 O ATOM 387 CB ARG A 28 -2.249 -1.920 -10.154 1.00 45.23 C ATOM 388 CG ARG A 28 -1.791 -3.114 -11.007 1.00 51.34 C ATOM 389 CD ARG A 28 -0.436 -2.816 -11.653 1.00 5.04 C ATOM 390 NE ARG A 28 -0.586 -1.966 -12.845 1.00 23.54 N ATOM 391 CZ ARG A 28 -0.754 -2.405 -14.099 1.00 41.14 C ATOM 392 NH1 ARG A 28 -0.809 -3.704 -14.366 1.00 74.25 N ATOM 393 NH2 ARG A 28 -0.871 -1.521 -15.077 1.00 31.51 N ATOM 0 H ARG A 28 -4.231 -0.266 -8.768 1.00 50.35 H new ATOM 0 HA ARG A 28 -3.900 -1.450 -11.429 1.00 1.44 H new ATOM 0 HB2 ARG A 28 -1.606 -1.068 -10.373 1.00 45.23 H new ATOM 0 HB3 ARG A 28 -2.104 -2.167 -9.102 1.00 45.23 H new ATOM 0 HG2 ARG A 28 -1.717 -4.006 -10.386 1.00 51.34 H new ATOM 0 HG3 ARG A 28 -2.531 -3.324 -11.779 1.00 51.34 H new ATOM 0 HD2 ARG A 28 0.213 -2.321 -10.930 1.00 5.04 H new ATOM 0 HD3 ARG A 28 0.051 -3.751 -11.930 1.00 5.04 H new ATOM 0 HE ARG A 28 -0.560 -0.956 -12.704 1.00 23.54 H new ATOM 0 HH11 ARG A 28 -0.723 -4.384 -13.611 1.00 74.25 H new ATOM 0 HH12 ARG A 28 -0.937 -4.022 -15.327 1.00 74.25 H new ATOM 0 HH21 ARG A 28 -0.833 -0.523 -14.870 1.00 31.51 H new ATOM 0 HH22 ARG A 28 -1.000 -1.838 -16.038 1.00 31.51 H new ATOM 404 N LYS A 29 -5.277 -3.342 -10.521 1.00 65.34 N ATOM 405 CA LYS A 29 -6.171 -4.389 -10.057 1.00 32.20 C ATOM 406 C LYS A 29 -5.376 -5.687 -10.046 1.00 45.24 C ATOM 407 O LYS A 29 -4.866 -6.095 -11.091 1.00 23.42 O ATOM 408 CB LYS A 29 -7.398 -4.462 -10.986 1.00 45.12 C ATOM 409 CG LYS A 29 -8.474 -5.452 -10.506 1.00 63.25 C ATOM 410 CD LYS A 29 -9.194 -5.024 -9.213 1.00 64.42 C ATOM 411 CE LYS A 29 -10.147 -3.848 -9.440 1.00 21.30 C ATOM 412 NZ LYS A 29 -11.341 -4.233 -10.225 1.00 63.43 N ATOM 0 H LYS A 29 -5.195 -3.304 -11.537 1.00 65.34 H new ATOM 0 HA LYS A 29 -6.546 -4.192 -9.053 1.00 32.20 H new ATOM 0 HB2 LYS A 29 -7.840 -3.469 -11.069 1.00 45.12 H new ATOM 0 HB3 LYS A 29 -7.071 -4.750 -11.985 1.00 45.12 H new ATOM 0 HG2 LYS A 29 -9.214 -5.578 -11.296 1.00 63.25 H new ATOM 0 HG3 LYS A 29 -8.010 -6.425 -10.345 1.00 63.25 H new ATOM 0 HD2 LYS A 29 -9.753 -5.870 -8.814 1.00 64.42 H new ATOM 0 HD3 LYS A 29 -8.454 -4.749 -8.462 1.00 64.42 H new ATOM 0 HE2 LYS A 29 -10.463 -3.448 -8.476 1.00 21.30 H new ATOM 0 HE3 LYS A 29 -9.617 -3.049 -9.958 1.00 21.30 H new ATOM 0 HZ1 LYS A 29 -12.025 -3.450 -10.223 1.00 63.43 H new ATOM 0 HZ2 LYS A 29 -11.060 -4.445 -11.204 1.00 63.43 H new ATOM 0 HZ3 LYS A 29 -11.778 -5.076 -9.801 1.00 63.43 H new ATOM 422 N GLY A 30 -5.303 -6.339 -8.890 1.00 34.10 N ATOM 423 CA GLY A 30 -4.834 -7.709 -8.775 1.00 70.21 C ATOM 424 C GLY A 30 -6.019 -8.643 -8.546 1.00 5.02 C ATOM 425 O GLY A 30 -7.181 -8.256 -8.717 1.00 22.41 O ATOM 0 H GLY A 30 -5.572 -5.923 -7.998 1.00 34.10 H new ATOM 0 HA2 GLY A 30 -4.301 -7.998 -9.681 1.00 70.21 H new ATOM 0 HA3 GLY A 30 -4.128 -7.793 -7.949 1.00 70.21 H new ATOM 429 N ASP A 31 -5.740 -9.885 -8.154 1.00 50.24 N ATOM 430 CA ASP A 31 -6.767 -10.896 -7.928 1.00 25.33 C ATOM 431 C ASP A 31 -7.571 -10.510 -6.685 1.00 53.23 C ATOM 432 O ASP A 31 -6.968 -10.128 -5.679 1.00 74.22 O ATOM 433 CB ASP A 31 -6.136 -12.270 -7.688 1.00 74.53 C ATOM 434 CG ASP A 31 -7.170 -13.356 -7.933 1.00 23.31 C ATOM 435 OD1 ASP A 31 -7.923 -13.658 -6.983 1.00 53.45 O ATOM 436 OD2 ASP A 31 -7.280 -13.854 -9.072 1.00 33.43 O ATOM 0 H ASP A 31 -4.791 -10.218 -7.984 1.00 50.24 H new ATOM 0 HA ASP A 31 -7.406 -10.948 -8.809 1.00 25.33 H new ATOM 0 HB2 ASP A 31 -5.283 -12.410 -8.351 1.00 74.53 H new ATOM 0 HB3 ASP A 31 -5.760 -12.335 -6.667 1.00 74.53 H new ATOM 440 N ALA A 32 -8.904 -10.581 -6.704 1.00 31.11 N ATOM 441 CA ALA A 32 -9.693 -10.237 -5.522 1.00 71.31 C ATOM 442 C ALA A 32 -9.561 -11.269 -4.392 1.00 11.11 C ATOM 443 O ALA A 32 -9.876 -10.931 -3.246 1.00 34.51 O ATOM 444 CB ALA A 32 -11.159 -10.002 -5.891 1.00 54.44 C ATOM 0 H ALA A 32 -9.453 -10.870 -7.514 1.00 31.11 H new ATOM 0 HA ALA A 32 -9.282 -9.305 -5.134 1.00 71.31 H new ATOM 0 HB1 ALA A 32 -11.724 -9.748 -4.994 1.00 54.44 H new ATOM 0 HB2 ALA A 32 -11.227 -9.183 -6.607 1.00 54.44 H new ATOM 0 HB3 ALA A 32 -11.572 -10.908 -6.335 1.00 54.44 H new ATOM 450 N ARG A 33 -9.073 -12.488 -4.667 1.00 52.12 N ATOM 451 CA ARG A 33 -8.876 -13.527 -3.656 1.00 63.44 C ATOM 452 C ARG A 33 -7.417 -13.955 -3.510 1.00 45.31 C ATOM 453 O ARG A 33 -7.070 -14.454 -2.442 1.00 53.34 O ATOM 454 CB ARG A 33 -9.731 -14.763 -3.965 1.00 2.41 C ATOM 455 CG ARG A 33 -11.251 -14.520 -3.928 1.00 41.14 C ATOM 456 CD ARG A 33 -12.026 -15.748 -3.424 1.00 45.25 C ATOM 457 NE ARG A 33 -11.763 -16.971 -4.211 1.00 45.44 N ATOM 458 CZ ARG A 33 -11.407 -18.177 -3.736 1.00 14.42 C ATOM 459 NH1 ARG A 33 -11.209 -18.374 -2.436 1.00 43.12 N ATOM 460 NH2 ARG A 33 -11.242 -19.188 -4.579 1.00 23.14 N ATOM 0 H ARG A 33 -8.803 -12.779 -5.607 1.00 52.12 H new ATOM 0 HA ARG A 33 -9.188 -13.082 -2.711 1.00 63.44 H new ATOM 0 HB2 ARG A 33 -9.461 -15.137 -4.952 1.00 2.41 H new ATOM 0 HB3 ARG A 33 -9.485 -15.547 -3.249 1.00 2.41 H new ATOM 0 HG2 ARG A 33 -11.465 -13.668 -3.283 1.00 41.14 H new ATOM 0 HG3 ARG A 33 -11.599 -14.258 -4.927 1.00 41.14 H new ATOM 0 HD2 ARG A 33 -11.763 -15.932 -2.382 1.00 45.25 H new ATOM 0 HD3 ARG A 33 -13.094 -15.531 -3.450 1.00 45.25 H new ATOM 0 HE ARG A 33 -11.862 -16.891 -5.223 1.00 45.44 H new ATOM 0 HH11 ARG A 33 -11.327 -17.602 -1.779 1.00 43.12 H new ATOM 0 HH12 ARG A 33 -10.939 -19.297 -2.095 1.00 43.12 H new ATOM 0 HH21 ARG A 33 -11.385 -19.047 -5.579 1.00 23.14 H new ATOM 0 HH22 ARG A 33 -10.972 -20.107 -4.227 1.00 23.14 H new ATOM 471 N ALA A 34 -6.552 -13.793 -4.508 1.00 5.02 N ATOM 472 CA ALA A 34 -5.149 -14.218 -4.438 1.00 33.42 C ATOM 473 C ALA A 34 -4.170 -13.121 -4.837 1.00 50.43 C ATOM 474 O ALA A 34 -3.056 -13.397 -5.300 1.00 12.11 O ATOM 475 CB ALA A 34 -4.944 -15.511 -5.231 1.00 34.43 C ATOM 0 H ALA A 34 -6.803 -13.360 -5.397 1.00 5.02 H new ATOM 0 HA ALA A 34 -4.922 -14.426 -3.392 1.00 33.42 H new ATOM 0 HB1 ALA A 34 -3.899 -15.814 -5.170 1.00 34.43 H new ATOM 0 HB2 ALA A 34 -5.574 -16.297 -4.815 1.00 34.43 H new ATOM 0 HB3 ALA A 34 -5.213 -15.345 -6.274 1.00 34.43 H new ATOM 481 N GLY A 35 -4.597 -11.870 -4.695 1.00 5.20 N ATOM 482 CA GLY A 35 -3.801 -10.738 -5.099 1.00 45.31 C ATOM 483 C GLY A 35 -2.951 -10.326 -3.914 1.00 45.42 C ATOM 484 O GLY A 35 -3.479 -10.098 -2.821 1.00 52.34 O ATOM 0 H GLY A 35 -5.503 -11.623 -4.297 1.00 5.20 H new ATOM 0 HA2 GLY A 35 -3.171 -10.998 -5.950 1.00 45.31 H new ATOM 0 HA3 GLY A 35 -4.441 -9.914 -5.416 1.00 45.31 H new ATOM 488 N ALA A 36 -1.645 -10.234 -4.150 1.00 50.41 N ATOM 489 CA ALA A 36 -0.761 -9.441 -3.303 1.00 52.45 C ATOM 490 C ALA A 36 -1.180 -7.965 -3.401 1.00 72.33 C ATOM 491 O ALA A 36 -1.939 -7.584 -4.298 1.00 5.04 O ATOM 492 CB ALA A 36 0.693 -9.643 -3.742 1.00 21.43 C ATOM 0 H ALA A 36 -1.174 -10.702 -4.925 1.00 50.41 H new ATOM 0 HA ALA A 36 -0.840 -9.759 -2.263 1.00 52.45 H new ATOM 0 HB1 ALA A 36 1.351 -9.049 -3.107 1.00 21.43 H new ATOM 0 HB2 ALA A 36 0.957 -10.697 -3.653 1.00 21.43 H new ATOM 0 HB3 ALA A 36 0.807 -9.327 -4.779 1.00 21.43 H new ATOM 498 N VAL A 37 -0.670 -7.106 -2.519 1.00 5.10 N ATOM 499 CA VAL A 37 -1.053 -5.698 -2.445 1.00 52.11 C ATOM 500 C VAL A 37 0.192 -4.881 -2.069 1.00 54.32 C ATOM 501 O VAL A 37 1.060 -5.372 -1.345 1.00 73.34 O ATOM 502 CB VAL A 37 -2.189 -5.550 -1.403 1.00 14.21 C ATOM 503 CG1 VAL A 37 -2.692 -4.105 -1.241 1.00 74.31 C ATOM 504 CG2 VAL A 37 -3.418 -6.428 -1.664 1.00 53.03 C ATOM 0 H VAL A 37 0.030 -7.373 -1.827 1.00 5.10 H new ATOM 0 HA VAL A 37 -1.427 -5.328 -3.400 1.00 52.11 H new ATOM 0 HB VAL A 37 -1.699 -5.886 -0.489 1.00 14.21 H new ATOM 0 HG11 VAL A 37 -3.487 -4.078 -0.496 1.00 74.31 H new ATOM 0 HG12 VAL A 37 -1.869 -3.467 -0.918 1.00 74.31 H new ATOM 0 HG13 VAL A 37 -3.077 -3.745 -2.195 1.00 74.31 H new ATOM 0 HG21 VAL A 37 -4.160 -6.257 -0.884 1.00 53.03 H new ATOM 0 HG22 VAL A 37 -3.846 -6.175 -2.634 1.00 53.03 H new ATOM 0 HG23 VAL A 37 -3.123 -7.477 -1.660 1.00 53.03 H new ATOM 514 N LEU A 38 0.253 -3.624 -2.518 1.00 2.30 N ATOM 515 CA LEU A 38 1.215 -2.604 -2.109 1.00 11.34 C ATOM 516 C LEU A 38 0.451 -1.466 -1.450 1.00 3.44 C ATOM 517 O LEU A 38 -0.629 -1.119 -1.928 1.00 44.14 O ATOM 518 CB LEU A 38 1.948 -2.019 -3.328 1.00 14.12 C ATOM 519 CG LEU A 38 2.661 -3.037 -4.226 1.00 32.32 C ATOM 520 CD1 LEU A 38 3.430 -2.292 -5.320 1.00 70.33 C ATOM 521 CD2 LEU A 38 3.634 -3.889 -3.423 1.00 45.15 C ATOM 0 H LEU A 38 -0.405 -3.275 -3.215 1.00 2.30 H new ATOM 0 HA LEU A 38 1.939 -3.059 -1.433 1.00 11.34 H new ATOM 0 HB2 LEU A 38 1.227 -1.470 -3.934 1.00 14.12 H new ATOM 0 HB3 LEU A 38 2.683 -1.296 -2.974 1.00 14.12 H new ATOM 0 HG LEU A 38 1.911 -3.692 -4.668 1.00 32.32 H new ATOM 0 HD11 LEU A 38 3.939 -3.012 -5.961 1.00 70.33 H new ATOM 0 HD12 LEU A 38 2.734 -1.702 -5.917 1.00 70.33 H new ATOM 0 HD13 LEU A 38 4.165 -1.631 -4.862 1.00 70.33 H new ATOM 0 HD21 LEU A 38 4.125 -4.602 -4.085 1.00 45.15 H new ATOM 0 HD22 LEU A 38 4.384 -3.247 -2.961 1.00 45.15 H new ATOM 0 HD23 LEU A 38 3.091 -4.429 -2.648 1.00 45.15 H new ATOM 532 N VAL A 39 1.036 -0.826 -0.438 1.00 40.02 N ATOM 533 CA VAL A 39 0.437 0.341 0.225 1.00 23.22 C ATOM 534 C VAL A 39 1.440 1.494 0.200 1.00 63.13 C ATOM 535 O VAL A 39 2.291 1.637 1.081 1.00 53.25 O ATOM 536 CB VAL A 39 -0.122 -0.012 1.626 1.00 14.32 C ATOM 537 CG1 VAL A 39 -0.788 1.207 2.285 1.00 52.33 C ATOM 538 CG2 VAL A 39 -1.182 -1.118 1.536 1.00 0.13 C ATOM 0 H VAL A 39 1.940 -1.099 -0.051 1.00 40.02 H new ATOM 0 HA VAL A 39 -0.444 0.676 -0.323 1.00 23.22 H new ATOM 0 HB VAL A 39 0.728 -0.346 2.221 1.00 14.32 H new ATOM 0 HG11 VAL A 39 -1.170 0.927 3.267 1.00 52.33 H new ATOM 0 HG12 VAL A 39 -0.055 2.006 2.396 1.00 52.33 H new ATOM 0 HG13 VAL A 39 -1.612 1.554 1.661 1.00 52.33 H new ATOM 0 HG21 VAL A 39 -1.557 -1.345 2.534 1.00 0.13 H new ATOM 0 HG22 VAL A 39 -2.006 -0.782 0.907 1.00 0.13 H new ATOM 0 HG23 VAL A 39 -0.737 -2.014 1.103 1.00 0.13 H new ATOM 548 N LYS A 40 1.370 2.324 -0.835 1.00 12.31 N ATOM 549 CA LYS A 40 2.142 3.557 -0.939 1.00 44.23 C ATOM 550 C LYS A 40 1.517 4.652 -0.071 1.00 2.00 C ATOM 551 O LYS A 40 0.322 4.599 0.210 1.00 35.34 O ATOM 552 CB LYS A 40 2.236 3.911 -2.432 1.00 64.15 C ATOM 553 CG LYS A 40 2.795 5.315 -2.697 1.00 53.43 C ATOM 554 CD LYS A 40 3.530 5.415 -4.030 1.00 31.31 C ATOM 555 CE LYS A 40 4.174 6.800 -4.136 1.00 11.42 C ATOM 556 NZ LYS A 40 5.243 6.834 -5.146 1.00 2.10 N ATOM 0 H LYS A 40 0.765 2.156 -1.639 1.00 12.31 H new ATOM 0 HA LYS A 40 3.155 3.441 -0.554 1.00 44.23 H new ATOM 0 HB2 LYS A 40 2.868 3.177 -2.932 1.00 64.15 H new ATOM 0 HB3 LYS A 40 1.244 3.834 -2.878 1.00 64.15 H new ATOM 0 HG2 LYS A 40 1.977 6.036 -2.683 1.00 53.43 H new ATOM 0 HG3 LYS A 40 3.475 5.589 -1.890 1.00 53.43 H new ATOM 0 HD2 LYS A 40 4.292 4.638 -4.100 1.00 31.31 H new ATOM 0 HD3 LYS A 40 2.837 5.257 -4.856 1.00 31.31 H new ATOM 0 HE2 LYS A 40 3.411 7.536 -4.390 1.00 11.42 H new ATOM 0 HE3 LYS A 40 4.582 7.085 -3.166 1.00 11.42 H new ATOM 0 HZ1 LYS A 40 5.959 7.536 -4.870 1.00 2.10 H new ATOM 0 HZ2 LYS A 40 5.686 5.896 -5.214 1.00 2.10 H new ATOM 0 HZ3 LYS A 40 4.840 7.094 -6.069 1.00 2.10 H new ATOM 566 N ALA A 41 2.314 5.618 0.385 1.00 62.51 N ATOM 567 CA ALA A 41 1.868 6.896 0.927 1.00 15.14 C ATOM 568 C ALA A 41 2.806 7.966 0.359 1.00 63.12 C ATOM 569 O ALA A 41 3.952 7.652 0.025 1.00 72.22 O ATOM 570 CB ALA A 41 1.908 6.912 2.463 1.00 71.23 C ATOM 0 H ALA A 41 3.330 5.525 0.386 1.00 62.51 H new ATOM 0 HA ALA A 41 0.831 7.080 0.645 1.00 15.14 H new ATOM 0 HB1 ALA A 41 1.568 7.882 2.826 1.00 71.23 H new ATOM 0 HB2 ALA A 41 1.256 6.130 2.852 1.00 71.23 H new ATOM 0 HB3 ALA A 41 2.929 6.735 2.802 1.00 71.23 H new ATOM 576 N VAL A 42 2.376 9.222 0.296 1.00 14.11 N ATOM 577 CA VAL A 42 3.187 10.345 -0.154 1.00 20.21 C ATOM 578 C VAL A 42 2.968 11.488 0.834 1.00 34.35 C ATOM 579 O VAL A 42 1.855 11.660 1.338 1.00 21.31 O ATOM 580 CB VAL A 42 2.806 10.726 -1.602 1.00 35.32 C ATOM 581 CG1 VAL A 42 3.753 11.802 -2.147 1.00 25.41 C ATOM 582 CG2 VAL A 42 2.866 9.525 -2.561 1.00 32.40 C ATOM 0 H VAL A 42 1.430 9.493 0.564 1.00 14.11 H new ATOM 0 HA VAL A 42 4.247 10.094 -0.175 1.00 20.21 H new ATOM 0 HB VAL A 42 1.782 11.096 -1.555 1.00 35.32 H new ATOM 0 HG11 VAL A 42 3.467 12.055 -3.168 1.00 25.41 H new ATOM 0 HG12 VAL A 42 3.691 12.692 -1.521 1.00 25.41 H new ATOM 0 HG13 VAL A 42 4.775 11.424 -2.140 1.00 25.41 H new ATOM 0 HG21 VAL A 42 2.589 9.847 -3.565 1.00 32.40 H new ATOM 0 HG22 VAL A 42 3.878 9.121 -2.575 1.00 32.40 H new ATOM 0 HG23 VAL A 42 2.173 8.755 -2.223 1.00 32.40 H new ATOM 592 N ASP A 43 4.024 12.257 1.099 1.00 43.42 N ATOM 593 CA ASP A 43 4.006 13.445 1.953 1.00 4.42 C ATOM 594 C ASP A 43 3.829 14.697 1.082 1.00 24.34 C ATOM 595 O ASP A 43 4.796 15.396 0.741 1.00 75.22 O ATOM 596 CB ASP A 43 5.301 13.579 2.772 1.00 44.02 C ATOM 597 CG ASP A 43 5.511 12.553 3.875 1.00 0.42 C ATOM 598 OD1 ASP A 43 5.605 11.339 3.572 1.00 14.13 O ATOM 599 OD2 ASP A 43 5.634 12.955 5.056 1.00 24.53 O ATOM 0 H ASP A 43 4.948 12.063 0.712 1.00 43.42 H new ATOM 0 HA ASP A 43 3.174 13.343 2.649 1.00 4.42 H new ATOM 0 HB2 ASP A 43 6.147 13.522 2.087 1.00 44.02 H new ATOM 0 HB3 ASP A 43 5.321 14.572 3.221 1.00 44.02 H new ATOM 603 N ARG A 44 2.585 15.077 0.770 1.00 54.40 N ATOM 604 CA ARG A 44 2.242 16.398 0.214 1.00 63.52 C ATOM 605 C ARG A 44 2.418 17.514 1.263 1.00 13.42 C ATOM 606 O ARG A 44 1.576 18.402 1.405 1.00 44.00 O ATOM 607 CB ARG A 44 0.844 16.394 -0.443 1.00 12.03 C ATOM 608 CG ARG A 44 0.678 15.406 -1.615 1.00 42.42 C ATOM 609 CD ARG A 44 1.695 15.651 -2.740 1.00 72.21 C ATOM 610 NE ARG A 44 1.314 14.983 -3.993 1.00 13.23 N ATOM 611 CZ ARG A 44 2.025 14.968 -5.127 1.00 43.01 C ATOM 612 NH1 ARG A 44 3.160 15.651 -5.210 1.00 22.51 N ATOM 613 NH2 ARG A 44 1.596 14.274 -6.174 1.00 22.33 N ATOM 0 H ARG A 44 1.775 14.470 0.897 1.00 54.40 H new ATOM 0 HA ARG A 44 2.948 16.620 -0.586 1.00 63.52 H new ATOM 0 HB2 ARG A 44 0.101 16.158 0.319 1.00 12.03 H new ATOM 0 HB3 ARG A 44 0.625 17.400 -0.801 1.00 12.03 H new ATOM 0 HG2 ARG A 44 0.789 14.387 -1.245 1.00 42.42 H new ATOM 0 HG3 ARG A 44 -0.331 15.491 -2.017 1.00 42.42 H new ATOM 0 HD2 ARG A 44 1.787 16.723 -2.916 1.00 72.21 H new ATOM 0 HD3 ARG A 44 2.675 15.294 -2.424 1.00 72.21 H new ATOM 0 HE ARG A 44 0.424 14.484 -3.999 1.00 13.23 H new ATOM 0 HH11 ARG A 44 3.492 16.188 -4.409 1.00 22.51 H new ATOM 0 HH12 ARG A 44 3.701 15.639 -6.075 1.00 22.51 H new ATOM 0 HH21 ARG A 44 0.723 13.750 -6.116 1.00 22.33 H new ATOM 0 HH22 ARG A 44 2.140 14.264 -7.037 1.00 22.33 H new ATOM 624 N ARG A 45 3.508 17.474 2.029 1.00 55.23 N ATOM 625 CA ARG A 45 4.062 18.544 2.843 1.00 22.43 C ATOM 626 C ARG A 45 5.511 18.724 2.417 1.00 40.41 C ATOM 627 O ARG A 45 5.786 19.620 1.620 1.00 63.21 O ATOM 628 CB ARG A 45 3.894 18.223 4.338 1.00 23.34 C ATOM 629 CG ARG A 45 2.574 18.802 4.844 1.00 60.54 C ATOM 630 CD ARG A 45 2.333 18.477 6.325 1.00 53.24 C ATOM 631 NE ARG A 45 1.730 19.639 6.994 1.00 11.34 N ATOM 632 CZ ARG A 45 1.029 19.698 8.127 1.00 23.32 C ATOM 633 NH1 ARG A 45 0.788 18.618 8.862 1.00 71.14 N ATOM 634 NH2 ARG A 45 0.541 20.872 8.502 1.00 51.03 N ATOM 0 H ARG A 45 4.067 16.624 2.098 1.00 55.23 H new ATOM 0 HA ARG A 45 3.535 19.486 2.692 1.00 22.43 H new ATOM 0 HB2 ARG A 45 3.912 17.144 4.492 1.00 23.34 H new ATOM 0 HB3 ARG A 45 4.726 18.640 4.905 1.00 23.34 H new ATOM 0 HG2 ARG A 45 2.576 19.883 4.706 1.00 60.54 H new ATOM 0 HG3 ARG A 45 1.752 18.406 4.248 1.00 60.54 H new ATOM 0 HD2 ARG A 45 1.676 17.612 6.415 1.00 53.24 H new ATOM 0 HD3 ARG A 45 3.274 18.215 6.808 1.00 53.24 H new ATOM 0 HE ARG A 45 1.868 20.532 6.522 1.00 11.34 H new ATOM 0 HH11 ARG A 45 1.143 17.709 8.565 1.00 71.14 H new ATOM 0 HH12 ARG A 45 0.248 18.698 9.724 1.00 71.14 H new ATOM 0 HH21 ARG A 45 0.706 21.699 7.929 1.00 51.03 H new ATOM 0 HH22 ARG A 45 0.001 20.948 9.364 1.00 51.03 H new ATOM 645 N GLU A 46 6.421 17.862 2.869 1.00 63.13 N ATOM 646 CA GLU A 46 7.857 18.025 2.621 1.00 72.43 C ATOM 647 C GLU A 46 8.249 17.549 1.213 1.00 52.33 C ATOM 648 O GLU A 46 9.236 18.027 0.655 1.00 60.23 O ATOM 649 CB GLU A 46 8.674 17.303 3.709 1.00 75.43 C ATOM 650 CG GLU A 46 8.205 17.695 5.120 1.00 31.51 C ATOM 651 CD GLU A 46 9.147 17.236 6.235 1.00 31.24 C ATOM 652 OE1 GLU A 46 9.285 16.009 6.449 1.00 23.34 O ATOM 653 OE2 GLU A 46 9.659 18.110 6.971 1.00 35.13 O ATOM 0 H GLU A 46 6.187 17.033 3.416 1.00 63.13 H new ATOM 0 HA GLU A 46 8.089 19.089 2.669 1.00 72.43 H new ATOM 0 HB2 GLU A 46 8.581 16.225 3.580 1.00 75.43 H new ATOM 0 HB3 GLU A 46 9.730 17.547 3.595 1.00 75.43 H new ATOM 0 HG2 GLU A 46 8.100 18.779 5.170 1.00 31.51 H new ATOM 0 HG3 GLU A 46 7.216 17.270 5.295 1.00 31.51 H new ATOM 658 N GLY A 47 7.449 16.670 0.599 1.00 24.51 N ATOM 659 CA GLY A 47 7.715 16.101 -0.724 1.00 52.23 C ATOM 660 C GLY A 47 8.402 14.747 -0.648 1.00 14.02 C ATOM 661 O GLY A 47 8.873 14.239 -1.665 1.00 14.14 O ATOM 0 H GLY A 47 6.583 16.329 1.017 1.00 24.51 H new ATOM 0 HA2 GLY A 47 6.776 15.998 -1.267 1.00 52.23 H new ATOM 0 HA3 GLY A 47 8.339 16.790 -1.293 1.00 52.23 H new ATOM 665 N THR A 48 8.491 14.190 0.547 1.00 54.32 N ATOM 666 CA THR A 48 8.945 12.855 0.846 1.00 11.05 C ATOM 667 C THR A 48 7.883 11.845 0.381 1.00 44.13 C ATOM 668 O THR A 48 6.739 12.210 0.088 1.00 12.24 O ATOM 669 CB THR A 48 9.222 12.842 2.365 1.00 61.20 C ATOM 670 OG1 THR A 48 8.397 13.726 3.103 1.00 40.01 O ATOM 671 CG2 THR A 48 10.656 13.291 2.626 1.00 14.25 C ATOM 0 H THR A 48 8.228 14.700 1.390 1.00 54.32 H new ATOM 0 HA THR A 48 9.857 12.567 0.323 1.00 11.05 H new ATOM 0 HB THR A 48 9.025 11.819 2.687 1.00 61.20 H new ATOM 0 HG1 THR A 48 8.623 13.667 4.055 1.00 40.01 H new ATOM 0 HG21 THR A 48 10.851 13.282 3.698 1.00 14.25 H new ATOM 0 HG22 THR A 48 11.347 12.612 2.126 1.00 14.25 H new ATOM 0 HG23 THR A 48 10.797 14.301 2.241 1.00 14.25 H new ATOM 679 N ALA A 49 8.236 10.560 0.297 1.00 1.43 N ATOM 680 CA ALA A 49 7.294 9.516 -0.075 1.00 34.34 C ATOM 681 C ALA A 49 7.687 8.190 0.579 1.00 43.22 C ATOM 682 O ALA A 49 8.832 8.005 1.002 1.00 12.14 O ATOM 683 CB ALA A 49 7.243 9.423 -1.609 1.00 73.13 C ATOM 0 H ALA A 49 9.179 10.221 0.485 1.00 1.43 H new ATOM 0 HA ALA A 49 6.294 9.756 0.286 1.00 34.34 H new ATOM 0 HB1 ALA A 49 6.540 8.644 -1.903 1.00 73.13 H new ATOM 0 HB2 ALA A 49 6.918 10.379 -2.021 1.00 73.13 H new ATOM 0 HB3 ALA A 49 8.234 9.181 -1.992 1.00 73.13 H new ATOM 689 N ARG A 50 6.724 7.268 0.647 1.00 4.42 N ATOM 690 CA ARG A 50 6.857 5.906 1.193 1.00 35.24 C ATOM 691 C ARG A 50 6.393 4.883 0.166 1.00 1.10 C ATOM 692 O ARG A 50 5.646 5.215 -0.754 1.00 2.22 O ATOM 693 CB ARG A 50 5.975 5.750 2.447 1.00 22.41 C ATOM 694 CG ARG A 50 6.477 6.525 3.666 1.00 34.21 C ATOM 695 CD ARG A 50 7.398 5.684 4.564 1.00 0.02 C ATOM 696 NE ARG A 50 7.991 6.519 5.617 1.00 14.42 N ATOM 697 CZ ARG A 50 8.849 7.519 5.392 1.00 71.55 C ATOM 698 NH1 ARG A 50 9.512 7.566 4.243 1.00 60.31 N ATOM 699 NH2 ARG A 50 9.016 8.487 6.291 1.00 24.30 N ATOM 0 H ARG A 50 5.781 7.456 0.307 1.00 4.42 H new ATOM 0 HA ARG A 50 7.905 5.742 1.444 1.00 35.24 H new ATOM 0 HB2 ARG A 50 4.964 6.082 2.210 1.00 22.41 H new ATOM 0 HB3 ARG A 50 5.911 4.693 2.704 1.00 22.41 H new ATOM 0 HG2 ARG A 50 7.014 7.413 3.331 1.00 34.21 H new ATOM 0 HG3 ARG A 50 5.623 6.870 4.249 1.00 34.21 H new ATOM 0 HD2 ARG A 50 6.832 4.869 5.014 1.00 0.02 H new ATOM 0 HD3 ARG A 50 8.187 5.231 3.963 1.00 0.02 H new ATOM 0 HE ARG A 50 7.731 6.323 6.584 1.00 14.42 H new ATOM 0 HH11 ARG A 50 9.365 6.842 3.539 1.00 60.31 H new ATOM 0 HH12 ARG A 50 10.168 8.326 4.064 1.00 60.31 H new ATOM 0 HH21 ARG A 50 8.486 8.471 7.163 1.00 24.30 H new ATOM 0 HH22 ARG A 50 9.674 9.245 6.108 1.00 24.30 H new ATOM 710 N LEU A 51 6.723 3.608 0.378 1.00 33.52 N ATOM 711 CA LEU A 51 6.070 2.497 -0.312 1.00 53.22 C ATOM 712 C LEU A 51 6.178 1.254 0.555 1.00 72.52 C ATOM 713 O LEU A 51 7.291 0.806 0.828 1.00 14.20 O ATOM 714 CB LEU A 51 6.676 2.272 -1.710 1.00 2.01 C ATOM 715 CG LEU A 51 5.616 1.986 -2.777 1.00 5.04 C ATOM 716 CD1 LEU A 51 6.191 2.236 -4.157 1.00 2.02 C ATOM 717 CD2 LEU A 51 5.073 0.564 -2.795 1.00 63.51 C ATOM 0 H LEU A 51 7.450 3.318 1.032 1.00 33.52 H new ATOM 0 HA LEU A 51 5.017 2.733 -0.468 1.00 53.22 H new ATOM 0 HB2 LEU A 51 7.248 3.154 -1.999 1.00 2.01 H new ATOM 0 HB3 LEU A 51 7.376 1.438 -1.667 1.00 2.01 H new ATOM 0 HG LEU A 51 4.795 2.655 -2.518 1.00 5.04 H new ATOM 0 HD11 LEU A 51 5.431 2.030 -4.911 1.00 2.02 H new ATOM 0 HD12 LEU A 51 6.508 3.276 -4.236 1.00 2.02 H new ATOM 0 HD13 LEU A 51 7.048 1.582 -4.318 1.00 2.02 H new ATOM 0 HD21 LEU A 51 4.330 0.468 -3.587 1.00 63.51 H new ATOM 0 HD22 LEU A 51 5.889 -0.135 -2.977 1.00 63.51 H new ATOM 0 HD23 LEU A 51 4.611 0.339 -1.834 1.00 63.51 H new ATOM 728 N PHE A 52 5.047 0.718 1.019 1.00 31.11 N ATOM 729 CA PHE A 52 5.036 -0.568 1.690 1.00 32.24 C ATOM 730 C PHE A 52 4.648 -1.673 0.717 1.00 22.24 C ATOM 731 O PHE A 52 3.863 -1.462 -0.212 1.00 44.45 O ATOM 732 CB PHE A 52 4.055 -0.596 2.862 1.00 12.32 C ATOM 733 CG PHE A 52 4.231 0.490 3.907 1.00 73.21 C ATOM 734 CD1 PHE A 52 5.432 0.608 4.628 1.00 35.51 C ATOM 735 CD2 PHE A 52 3.184 1.391 4.160 1.00 15.04 C ATOM 736 CE1 PHE A 52 5.602 1.660 5.548 1.00 22.31 C ATOM 737 CE2 PHE A 52 3.356 2.453 5.063 1.00 13.41 C ATOM 738 CZ PHE A 52 4.572 2.593 5.756 1.00 35.54 C ATOM 0 H PHE A 52 4.131 1.160 0.939 1.00 31.11 H new ATOM 0 HA PHE A 52 6.045 -0.730 2.070 1.00 32.24 H new ATOM 0 HB2 PHE A 52 3.043 -0.528 2.464 1.00 12.32 H new ATOM 0 HB3 PHE A 52 4.138 -1.564 3.356 1.00 12.32 H new ATOM 0 HD1 PHE A 52 6.225 -0.109 4.476 1.00 35.51 H new ATOM 0 HD2 PHE A 52 2.237 1.266 3.655 1.00 15.04 H new ATOM 0 HE1 PHE A 52 6.528 1.750 6.096 1.00 22.31 H new ATOM 0 HE2 PHE A 52 2.556 3.161 5.225 1.00 13.41 H new ATOM 0 HZ PHE A 52 4.713 3.413 6.444 1.00 35.54 H new ATOM 747 N SER A 53 5.098 -2.884 1.017 1.00 75.55 N ATOM 748 CA SER A 53 4.739 -4.122 0.350 1.00 41.22 C ATOM 749 C SER A 53 4.227 -5.077 1.420 1.00 1.22 C ATOM 750 O SER A 53 4.594 -4.937 2.593 1.00 72.11 O ATOM 751 CB SER A 53 5.997 -4.677 -0.325 1.00 51.35 C ATOM 752 OG SER A 53 5.818 -4.906 -1.701 1.00 21.40 O ATOM 0 H SER A 53 5.762 -3.034 1.777 1.00 75.55 H new ATOM 0 HA SER A 53 3.969 -3.979 -0.408 1.00 41.22 H new ATOM 0 HB2 SER A 53 6.820 -3.977 -0.181 1.00 51.35 H new ATOM 0 HB3 SER A 53 6.283 -5.610 0.160 1.00 51.35 H new ATOM 0 HG SER A 53 6.690 -4.914 -2.147 1.00 21.40 H new ATOM 757 N GLU A 54 3.380 -6.027 1.029 1.00 3.33 N ATOM 758 CA GLU A 54 2.980 -7.086 1.937 1.00 1.33 C ATOM 759 C GLU A 54 4.158 -8.041 2.142 1.00 23.02 C ATOM 760 O GLU A 54 5.081 -8.088 1.321 1.00 15.22 O ATOM 761 CB GLU A 54 1.687 -7.766 1.453 1.00 73.35 C ATOM 762 CG GLU A 54 1.840 -8.733 0.264 1.00 3.34 C ATOM 763 CD GLU A 54 1.297 -10.132 0.575 1.00 21.44 C ATOM 764 OE1 GLU A 54 1.494 -10.657 1.695 1.00 75.31 O ATOM 765 OE2 GLU A 54 0.617 -10.733 -0.287 1.00 70.33 O ATOM 0 H GLU A 54 2.964 -6.081 0.099 1.00 3.33 H new ATOM 0 HA GLU A 54 2.731 -6.678 2.916 1.00 1.33 H new ATOM 0 HB2 GLU A 54 1.253 -8.315 2.289 1.00 73.35 H new ATOM 0 HB3 GLU A 54 0.973 -6.990 1.176 1.00 73.35 H new ATOM 0 HG2 GLU A 54 1.316 -8.327 -0.601 1.00 3.34 H new ATOM 0 HG3 GLU A 54 2.893 -8.807 -0.007 1.00 3.34 H new ATOM 770 N ALA A 55 4.132 -8.803 3.227 1.00 14.51 N ATOM 771 CA ALA A 55 5.080 -9.844 3.575 1.00 0.44 C ATOM 772 C ALA A 55 4.345 -10.786 4.516 1.00 55.22 C ATOM 773 O ALA A 55 3.160 -10.601 4.802 1.00 1.54 O ATOM 774 CB ALA A 55 6.314 -9.240 4.254 1.00 42.34 C ATOM 0 H ALA A 55 3.400 -8.701 3.930 1.00 14.51 H new ATOM 0 HA ALA A 55 5.437 -10.373 2.691 1.00 0.44 H new ATOM 0 HB1 ALA A 55 7.015 -10.035 4.508 1.00 42.34 H new ATOM 0 HB2 ALA A 55 6.795 -8.536 3.575 1.00 42.34 H new ATOM 0 HB3 ALA A 55 6.011 -8.719 5.162 1.00 42.34 H new ATOM 780 N THR A 56 5.025 -11.808 5.010 1.00 74.02 N ATOM 781 CA THR A 56 4.474 -12.705 5.998 1.00 64.25 C ATOM 782 C THR A 56 5.608 -13.223 6.876 1.00 11.52 C ATOM 783 O THR A 56 6.784 -13.101 6.536 1.00 2.12 O ATOM 784 CB THR A 56 3.687 -13.852 5.324 1.00 74.05 C ATOM 785 OG1 THR A 56 3.407 -13.639 3.947 1.00 42.22 O ATOM 786 CG2 THR A 56 2.337 -14.013 6.008 1.00 61.33 C ATOM 0 H THR A 56 5.980 -12.035 4.732 1.00 74.02 H new ATOM 0 HA THR A 56 3.761 -12.172 6.628 1.00 64.25 H new ATOM 0 HB THR A 56 4.328 -14.729 5.417 1.00 74.05 H new ATOM 0 HG1 THR A 56 2.910 -14.405 3.592 1.00 42.22 H new ATOM 0 HG21 THR A 56 1.782 -14.822 5.532 1.00 61.33 H new ATOM 0 HG22 THR A 56 2.489 -14.247 7.062 1.00 61.33 H new ATOM 0 HG23 THR A 56 1.772 -13.085 5.920 1.00 61.33 H new ATOM 794 N ARG A 57 5.272 -13.814 8.017 1.00 54.34 N ATOM 795 CA ARG A 57 6.232 -14.525 8.861 1.00 51.35 C ATOM 796 C ARG A 57 5.870 -15.996 8.976 1.00 35.04 C ATOM 797 O ARG A 57 4.789 -16.395 8.551 1.00 55.14 O ATOM 798 CB ARG A 57 6.385 -13.820 10.213 1.00 24.00 C ATOM 799 CG ARG A 57 5.094 -13.865 11.030 1.00 34.00 C ATOM 800 CD ARG A 57 5.224 -13.119 12.354 1.00 1.20 C ATOM 801 NE ARG A 57 6.273 -13.681 13.213 1.00 53.44 N ATOM 802 CZ ARG A 57 6.278 -13.593 14.543 1.00 24.32 C ATOM 803 NH1 ARG A 57 5.361 -12.869 15.183 1.00 33.41 N ATOM 804 NH2 ARG A 57 7.221 -14.250 15.211 1.00 21.13 N ATOM 0 H ARG A 57 4.321 -13.815 8.387 1.00 54.34 H new ATOM 0 HA ARG A 57 7.215 -14.498 8.390 1.00 51.35 H new ATOM 0 HB2 ARG A 57 7.189 -14.291 10.779 1.00 24.00 H new ATOM 0 HB3 ARG A 57 6.675 -12.782 10.050 1.00 24.00 H new ATOM 0 HG2 ARG A 57 4.282 -13.429 10.448 1.00 34.00 H new ATOM 0 HG3 ARG A 57 4.825 -14.903 11.225 1.00 34.00 H new ATOM 0 HD2 ARG A 57 5.444 -12.070 12.157 1.00 1.20 H new ATOM 0 HD3 ARG A 57 4.271 -13.151 12.881 1.00 1.20 H new ATOM 0 HE ARG A 57 7.047 -14.170 12.764 1.00 53.44 H new ATOM 0 HH11 ARG A 57 4.643 -12.373 14.655 1.00 33.41 H new ATOM 0 HH12 ARG A 57 5.377 -12.811 16.201 1.00 33.41 H new ATOM 0 HH21 ARG A 57 7.914 -14.802 14.705 1.00 21.13 H new ATOM 0 HH22 ARG A 57 7.252 -14.203 16.229 1.00 21.13 H new ATOM 815 N GLY A 58 6.725 -16.791 9.620 1.00 43.32 N ATOM 816 CA GLY A 58 6.505 -18.222 9.801 1.00 22.03 C ATOM 817 C GLY A 58 5.263 -18.530 10.633 1.00 62.24 C ATOM 818 O GLY A 58 4.702 -19.619 10.501 1.00 3.21 O ATOM 0 H GLY A 58 7.595 -16.455 10.033 1.00 43.32 H new ATOM 0 HA2 GLY A 58 6.409 -18.696 8.824 1.00 22.03 H new ATOM 0 HA3 GLY A 58 7.378 -18.661 10.284 1.00 22.03 H new ATOM 822 N ASP A 59 4.811 -17.582 11.458 1.00 64.23 N ATOM 823 CA ASP A 59 3.548 -17.664 12.197 1.00 62.45 C ATOM 824 C ASP A 59 2.320 -17.537 11.280 1.00 62.42 C ATOM 825 O ASP A 59 1.225 -17.993 11.596 1.00 52.13 O ATOM 826 CB ASP A 59 3.533 -16.601 13.307 1.00 40.23 C ATOM 827 CG ASP A 59 2.859 -17.126 14.575 1.00 53.42 C ATOM 828 OD1 ASP A 59 1.741 -17.670 14.481 1.00 75.43 O ATOM 829 OD2 ASP A 59 3.494 -17.067 15.652 1.00 20.33 O ATOM 0 H ASP A 59 5.323 -16.718 11.635 1.00 64.23 H new ATOM 0 HA ASP A 59 3.484 -18.654 12.648 1.00 62.45 H new ATOM 0 HB2 ASP A 59 4.555 -16.297 13.536 1.00 40.23 H new ATOM 0 HB3 ASP A 59 3.008 -15.713 12.955 1.00 40.23 H new ATOM 833 N GLY A 60 2.531 -17.002 10.081 1.00 23.24 N ATOM 834 CA GLY A 60 1.530 -16.691 9.063 1.00 23.42 C ATOM 835 C GLY A 60 1.048 -15.244 9.123 1.00 71.01 C ATOM 836 O GLY A 60 0.053 -14.909 8.481 1.00 43.45 O ATOM 0 H GLY A 60 3.472 -16.757 9.773 1.00 23.24 H new ATOM 0 HA2 GLY A 60 1.950 -16.888 8.077 1.00 23.42 H new ATOM 0 HA3 GLY A 60 0.676 -17.358 9.185 1.00 23.42 H new ATOM 840 N GLU A 61 1.733 -14.368 9.864 1.00 44.43 N ATOM 841 CA GLU A 61 1.219 -13.043 10.183 1.00 64.11 C ATOM 842 C GLU A 61 1.661 -12.105 9.061 1.00 53.51 C ATOM 843 O GLU A 61 2.859 -12.044 8.769 1.00 54.21 O ATOM 844 CB GLU A 61 1.789 -12.653 11.552 1.00 54.53 C ATOM 845 CG GLU A 61 1.018 -11.564 12.291 1.00 31.03 C ATOM 846 CD GLU A 61 1.695 -11.185 13.620 1.00 43.53 C ATOM 847 OE1 GLU A 61 2.687 -11.833 14.049 1.00 63.43 O ATOM 848 OE2 GLU A 61 1.221 -10.214 14.253 1.00 34.42 O ATOM 0 H GLU A 61 2.655 -14.561 10.256 1.00 44.43 H new ATOM 0 HA GLU A 61 0.132 -12.999 10.248 1.00 64.11 H new ATOM 0 HB2 GLU A 61 1.822 -13.543 12.181 1.00 54.53 H new ATOM 0 HB3 GLU A 61 2.818 -12.320 11.418 1.00 54.53 H new ATOM 0 HG2 GLU A 61 0.941 -10.680 11.658 1.00 31.03 H new ATOM 0 HG3 GLU A 61 0.002 -11.907 12.486 1.00 31.03 H new ATOM 853 N ARG A 62 0.716 -11.451 8.375 1.00 34.11 N ATOM 854 CA ARG A 62 1.025 -10.486 7.320 1.00 34.44 C ATOM 855 C ARG A 62 1.381 -9.141 7.949 1.00 22.00 C ATOM 856 O ARG A 62 0.893 -8.822 9.035 1.00 13.12 O ATOM 857 CB ARG A 62 -0.169 -10.384 6.353 1.00 54.11 C ATOM 858 CG ARG A 62 -0.003 -9.317 5.258 1.00 75.02 C ATOM 859 CD ARG A 62 -1.146 -9.301 4.242 1.00 71.22 C ATOM 860 NE ARG A 62 -0.920 -10.199 3.096 1.00 43.11 N ATOM 861 CZ ARG A 62 -1.856 -10.916 2.460 1.00 31.02 C ATOM 862 NH1 ARG A 62 -3.110 -10.938 2.890 1.00 51.31 N ATOM 863 NH2 ARG A 62 -1.557 -11.603 1.366 1.00 21.12 N ATOM 0 H ARG A 62 -0.283 -11.578 8.538 1.00 34.11 H new ATOM 0 HA ARG A 62 1.888 -10.815 6.741 1.00 34.44 H new ATOM 0 HB2 ARG A 62 -0.323 -11.354 5.880 1.00 54.11 H new ATOM 0 HB3 ARG A 62 -1.069 -10.163 6.927 1.00 54.11 H new ATOM 0 HG2 ARG A 62 0.070 -8.336 5.727 1.00 75.02 H new ATOM 0 HG3 ARG A 62 0.936 -9.490 4.733 1.00 75.02 H new ATOM 0 HD2 ARG A 62 -2.071 -9.587 4.742 1.00 71.22 H new ATOM 0 HD3 ARG A 62 -1.283 -8.284 3.876 1.00 71.22 H new ATOM 0 HE ARG A 62 0.038 -10.282 2.755 1.00 43.11 H new ATOM 0 HH11 ARG A 62 -3.375 -10.403 3.717 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -3.810 -11.489 2.393 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -0.605 -11.589 0.999 1.00 21.12 H new ATOM 0 HH22 ARG A 62 -2.279 -12.145 0.891 1.00 21.12 H new ATOM 874 N PHE A 63 2.180 -8.329 7.260 1.00 20.24 N ATOM 875 CA PHE A 63 2.561 -6.989 7.701 1.00 64.35 C ATOM 876 C PHE A 63 2.932 -6.113 6.511 1.00 13.52 C ATOM 877 O PHE A 63 3.196 -6.631 5.423 1.00 0.41 O ATOM 878 CB PHE A 63 3.730 -7.081 8.696 1.00 72.44 C ATOM 879 CG PHE A 63 4.962 -7.862 8.245 1.00 72.33 C ATOM 880 CD1 PHE A 63 5.001 -9.266 8.383 1.00 74.14 C ATOM 881 CD2 PHE A 63 6.118 -7.186 7.801 1.00 24.30 C ATOM 882 CE1 PHE A 63 6.187 -9.968 8.117 1.00 14.33 C ATOM 883 CE2 PHE A 63 7.309 -7.894 7.547 1.00 71.12 C ATOM 884 CZ PHE A 63 7.341 -9.288 7.699 1.00 3.14 C ATOM 0 H PHE A 63 2.589 -8.589 6.362 1.00 20.24 H new ATOM 0 HA PHE A 63 1.709 -6.528 8.201 1.00 64.35 H new ATOM 0 HB2 PHE A 63 4.044 -6.067 8.945 1.00 72.44 H new ATOM 0 HB3 PHE A 63 3.358 -7.535 9.615 1.00 72.44 H new ATOM 0 HD1 PHE A 63 4.116 -9.802 8.694 1.00 74.14 H new ATOM 0 HD2 PHE A 63 6.090 -6.116 7.655 1.00 24.30 H new ATOM 0 HE1 PHE A 63 6.212 -11.041 8.235 1.00 14.33 H new ATOM 0 HE2 PHE A 63 8.197 -7.364 7.235 1.00 71.12 H new ATOM 0 HZ PHE A 63 8.249 -9.835 7.495 1.00 3.14 H new ATOM 893 N TRP A 64 2.950 -4.788 6.700 1.00 62.41 N ATOM 894 CA TRP A 64 3.452 -3.836 5.710 1.00 23.30 C ATOM 895 C TRP A 64 4.930 -3.549 5.956 1.00 11.34 C ATOM 896 O TRP A 64 5.246 -2.876 6.933 1.00 51.42 O ATOM 897 CB TRP A 64 2.615 -2.548 5.755 1.00 41.44 C ATOM 898 CG TRP A 64 1.212 -2.742 5.329 1.00 23.04 C ATOM 899 CD1 TRP A 64 0.097 -2.386 5.989 1.00 35.30 C ATOM 900 CD2 TRP A 64 0.760 -3.314 4.086 1.00 4.44 C ATOM 901 NE1 TRP A 64 -1.002 -2.924 5.354 1.00 54.31 N ATOM 902 CE2 TRP A 64 -0.643 -3.508 4.172 1.00 21.14 C ATOM 903 CE3 TRP A 64 1.403 -3.679 2.893 1.00 24.30 C ATOM 904 CZ2 TRP A 64 -1.359 -4.160 3.177 1.00 3.54 C ATOM 905 CZ3 TRP A 64 0.683 -4.302 1.869 1.00 34.51 C ATOM 906 CH2 TRP A 64 -0.683 -4.586 2.029 1.00 13.10 C ATOM 0 H TRP A 64 2.612 -4.345 7.555 1.00 62.41 H new ATOM 0 HA TRP A 64 3.359 -4.267 4.713 1.00 23.30 H new ATOM 0 HB2 TRP A 64 2.627 -2.152 6.770 1.00 41.44 H new ATOM 0 HB3 TRP A 64 3.081 -1.799 5.115 1.00 41.44 H new ATOM 0 HD1 TRP A 64 0.067 -1.774 6.878 1.00 35.30 H new ATOM 0 HE1 TRP A 64 -1.954 -2.891 5.717 1.00 54.31 H new ATOM 0 HE3 TRP A 64 2.456 -3.478 2.766 1.00 24.30 H new ATOM 0 HZ2 TRP A 64 -2.419 -4.335 3.287 1.00 3.54 H new ATOM 0 HZ3 TRP A 64 1.181 -4.567 0.948 1.00 34.51 H new ATOM 0 HH2 TRP A 64 -1.213 -5.134 1.264 1.00 13.10 H new ATOM 916 N MET A 65 5.831 -4.040 5.104 1.00 54.22 N ATOM 917 CA MET A 65 7.274 -3.777 5.204 1.00 31.02 C ATOM 918 C MET A 65 7.755 -2.769 4.158 1.00 13.32 C ATOM 919 O MET A 65 7.011 -2.471 3.222 1.00 22.12 O ATOM 920 CB MET A 65 8.039 -5.090 5.059 1.00 41.13 C ATOM 921 CG MET A 65 7.896 -5.765 3.686 1.00 40.51 C ATOM 922 SD MET A 65 9.463 -6.256 2.913 1.00 63.02 S ATOM 923 CE MET A 65 10.205 -7.218 4.259 1.00 2.20 C ATOM 0 H MET A 65 5.581 -4.638 4.316 1.00 54.22 H new ATOM 0 HA MET A 65 7.466 -3.337 6.183 1.00 31.02 H new ATOM 0 HB2 MET A 65 9.096 -4.902 5.249 1.00 41.13 H new ATOM 0 HB3 MET A 65 7.695 -5.782 5.827 1.00 41.13 H new ATOM 0 HG2 MET A 65 7.268 -6.649 3.795 1.00 40.51 H new ATOM 0 HG3 MET A 65 7.373 -5.084 3.014 1.00 40.51 H new ATOM 0 HE1 MET A 65 10.926 -7.924 3.847 1.00 2.20 H new ATOM 0 HE2 MET A 65 10.711 -6.545 4.951 1.00 2.20 H new ATOM 0 HE3 MET A 65 9.425 -7.764 4.789 1.00 2.20 H new ATOM 931 N GLN A 66 9.000 -2.285 4.261 1.00 63.04 N ATOM 932 CA GLN A 66 9.637 -1.387 3.291 1.00 55.21 C ATOM 933 C GLN A 66 10.793 -2.080 2.554 1.00 64.45 C ATOM 934 O GLN A 66 11.948 -1.935 2.965 1.00 24.04 O ATOM 935 CB GLN A 66 10.112 -0.074 3.934 1.00 35.41 C ATOM 936 CG GLN A 66 8.949 0.844 4.312 1.00 3.13 C ATOM 937 CD GLN A 66 9.417 2.288 4.489 1.00 14.43 C ATOM 938 OE1 GLN A 66 9.956 2.905 3.572 1.00 24.51 O ATOM 939 NE2 GLN A 66 9.209 2.884 5.647 1.00 74.22 N ATOM 0 H GLN A 66 9.609 -2.515 5.046 1.00 63.04 H new ATOM 0 HA GLN A 66 8.871 -1.132 2.559 1.00 55.21 H new ATOM 0 HB2 GLN A 66 10.697 -0.300 4.825 1.00 35.41 H new ATOM 0 HB3 GLN A 66 10.773 0.448 3.242 1.00 35.41 H new ATOM 0 HG2 GLN A 66 8.182 0.800 3.539 1.00 3.13 H new ATOM 0 HG3 GLN A 66 8.490 0.492 5.236 1.00 3.13 H new ATOM 0 HE21 GLN A 66 8.762 2.375 6.410 1.00 74.22 H new ATOM 0 HE22 GLN A 66 9.495 3.854 5.780 1.00 74.22 H new ATOM 946 N PRO A 67 10.522 -2.814 1.462 1.00 60.55 N ATOM 947 CA PRO A 67 11.555 -3.378 0.586 1.00 2.41 C ATOM 948 C PRO A 67 12.151 -2.338 -0.374 1.00 12.23 C ATOM 949 O PRO A 67 13.114 -2.615 -1.091 1.00 14.12 O ATOM 950 CB PRO A 67 10.841 -4.467 -0.205 1.00 62.55 C ATOM 951 CG PRO A 67 9.458 -3.855 -0.368 1.00 44.23 C ATOM 952 CD PRO A 67 9.200 -3.137 0.949 1.00 72.42 C ATOM 0 HA PRO A 67 12.395 -3.750 1.172 1.00 2.41 H new ATOM 0 HB2 PRO A 67 11.321 -4.661 -1.164 1.00 62.55 H new ATOM 0 HB3 PRO A 67 10.811 -5.414 0.333 1.00 62.55 H new ATOM 0 HG2 PRO A 67 9.427 -3.163 -1.210 1.00 44.23 H new ATOM 0 HG3 PRO A 67 8.705 -4.620 -0.557 1.00 44.23 H new ATOM 0 HD2 PRO A 67 8.603 -2.237 0.799 1.00 72.42 H new ATOM 0 HD3 PRO A 67 8.650 -3.771 1.644 1.00 72.42 H new ATOM 957 N VAL A 68 11.578 -1.137 -0.417 1.00 13.30 N ATOM 958 CA VAL A 68 12.169 0.035 -1.038 1.00 12.03 C ATOM 959 C VAL A 68 12.315 1.081 0.071 1.00 23.31 C ATOM 960 O VAL A 68 11.437 1.901 0.336 1.00 42.34 O ATOM 961 CB VAL A 68 11.402 0.420 -2.320 1.00 32.34 C ATOM 962 CG1 VAL A 68 9.886 0.570 -2.138 1.00 51.25 C ATOM 963 CG2 VAL A 68 12.003 1.674 -2.961 1.00 63.33 C ATOM 0 H VAL A 68 10.662 -0.952 -0.007 1.00 13.30 H new ATOM 0 HA VAL A 68 13.172 -0.121 -1.436 1.00 12.03 H new ATOM 0 HB VAL A 68 11.527 -0.427 -2.994 1.00 32.34 H new ATOM 0 HG11 VAL A 68 9.430 0.842 -3.090 1.00 51.25 H new ATOM 0 HG12 VAL A 68 9.466 -0.374 -1.791 1.00 51.25 H new ATOM 0 HG13 VAL A 68 9.683 1.349 -1.403 1.00 51.25 H new ATOM 0 HG21 VAL A 68 11.445 1.925 -3.863 1.00 63.33 H new ATOM 0 HG22 VAL A 68 11.948 2.505 -2.257 1.00 63.33 H new ATOM 0 HG23 VAL A 68 13.045 1.487 -3.220 1.00 63.33 H new ATOM 973 N ARG A 69 13.433 1.000 0.791 1.00 22.43 N ATOM 974 CA ARG A 69 13.781 1.860 1.919 1.00 1.02 C ATOM 975 C ARG A 69 14.414 3.141 1.363 1.00 51.13 C ATOM 976 O ARG A 69 15.507 3.531 1.768 1.00 41.12 O ATOM 977 CB ARG A 69 14.705 1.056 2.860 1.00 14.20 C ATOM 978 CG ARG A 69 14.929 1.648 4.264 1.00 40.11 C ATOM 979 CD ARG A 69 13.628 1.775 5.068 1.00 1.20 C ATOM 980 NE ARG A 69 13.860 1.700 6.518 1.00 64.34 N ATOM 981 CZ ARG A 69 14.294 2.638 7.365 1.00 23.03 C ATOM 982 NH1 ARG A 69 14.687 3.824 6.916 1.00 3.34 N ATOM 983 NH2 ARG A 69 14.344 2.360 8.668 1.00 31.13 N ATOM 0 H ARG A 69 14.151 0.303 0.595 1.00 22.43 H new ATOM 0 HA ARG A 69 12.916 2.167 2.507 1.00 1.02 H new ATOM 0 HB2 ARG A 69 14.291 0.054 2.973 1.00 14.20 H new ATOM 0 HB3 ARG A 69 15.675 0.947 2.376 1.00 14.20 H new ATOM 0 HG2 ARG A 69 15.630 1.018 4.812 1.00 40.11 H new ATOM 0 HG3 ARG A 69 15.391 2.631 4.170 1.00 40.11 H new ATOM 0 HD2 ARG A 69 13.146 2.723 4.828 1.00 1.20 H new ATOM 0 HD3 ARG A 69 12.941 0.983 4.771 1.00 1.20 H new ATOM 0 HE ARG A 69 13.659 0.794 6.942 1.00 64.34 H new ATOM 0 HH11 ARG A 69 14.659 4.026 5.917 1.00 3.34 H new ATOM 0 HH12 ARG A 69 15.017 4.533 7.571 1.00 3.34 H new ATOM 0 HH21 ARG A 69 14.053 1.442 9.005 1.00 31.13 H new ATOM 0 HH22 ARG A 69 14.673 3.065 9.328 1.00 31.13 H new ATOM 994 N SER A 70 13.731 3.794 0.427 1.00 14.24 N ATOM 995 CA SER A 70 14.164 5.003 -0.256 1.00 32.21 C ATOM 996 C SER A 70 13.115 6.088 -0.022 1.00 25.34 C ATOM 997 O SER A 70 12.057 5.831 0.560 1.00 55.12 O ATOM 998 CB SER A 70 14.373 4.670 -1.744 1.00 13.00 C ATOM 999 OG SER A 70 15.171 5.631 -2.417 1.00 64.15 O ATOM 0 H SER A 70 12.815 3.476 0.111 1.00 14.24 H new ATOM 0 HA SER A 70 15.112 5.380 0.128 1.00 32.21 H new ATOM 0 HB2 SER A 70 14.843 3.690 -1.830 1.00 13.00 H new ATOM 0 HB3 SER A 70 13.403 4.602 -2.236 1.00 13.00 H new ATOM 0 HG SER A 70 15.274 5.371 -3.356 1.00 64.15 H new ATOM 1004 N THR A 71 13.411 7.298 -0.489 1.00 71.34 N ATOM 1005 CA THR A 71 12.545 8.472 -0.413 1.00 70.22 C ATOM 1006 C THR A 71 12.347 9.106 -1.802 1.00 53.25 C ATOM 1007 O THR A 71 11.609 10.079 -1.934 1.00 52.22 O ATOM 1008 CB THR A 71 13.023 9.400 0.710 1.00 4.22 C ATOM 1009 OG1 THR A 71 12.140 10.471 0.994 1.00 4.21 O ATOM 1010 CG2 THR A 71 14.384 9.929 0.345 1.00 51.02 C ATOM 0 H THR A 71 14.299 7.496 -0.951 1.00 71.34 H new ATOM 0 HA THR A 71 11.532 8.193 -0.123 1.00 70.22 H new ATOM 0 HB THR A 71 13.059 8.807 1.624 1.00 4.22 H new ATOM 0 HG1 THR A 71 11.675 10.738 0.174 1.00 4.21 H new ATOM 0 HG21 THR A 71 14.740 10.592 1.134 1.00 51.02 H new ATOM 0 HG22 THR A 71 15.079 9.097 0.229 1.00 51.02 H new ATOM 0 HG23 THR A 71 14.320 10.482 -0.592 1.00 51.02 H new ATOM 1018 N PHE A 72 13.010 8.586 -2.840 1.00 31.33 N ATOM 1019 CA PHE A 72 12.885 9.114 -4.188 1.00 70.31 C ATOM 1020 C PHE A 72 11.592 8.619 -4.808 1.00 12.13 C ATOM 1021 O PHE A 72 11.480 7.438 -5.124 1.00 21.23 O ATOM 1022 CB PHE A 72 14.078 8.687 -5.056 1.00 3.34 C ATOM 1023 CG PHE A 72 15.264 9.622 -5.003 1.00 34.21 C ATOM 1024 CD1 PHE A 72 15.082 11.005 -5.205 1.00 12.02 C ATOM 1025 CD2 PHE A 72 16.561 9.110 -4.809 1.00 5.42 C ATOM 1026 CE1 PHE A 72 16.178 11.877 -5.131 1.00 10.00 C ATOM 1027 CE2 PHE A 72 17.657 9.985 -4.738 1.00 14.23 C ATOM 1028 CZ PHE A 72 17.464 11.370 -4.881 1.00 13.02 C ATOM 0 H PHE A 72 13.644 7.791 -2.763 1.00 31.33 H new ATOM 0 HA PHE A 72 12.873 10.203 -4.136 1.00 70.31 H new ATOM 0 HB2 PHE A 72 14.401 7.694 -4.743 1.00 3.34 H new ATOM 0 HB3 PHE A 72 13.745 8.602 -6.091 1.00 3.34 H new ATOM 0 HD1 PHE A 72 14.097 11.394 -5.417 1.00 12.02 H new ATOM 0 HD2 PHE A 72 16.713 8.045 -4.715 1.00 5.42 H new ATOM 0 HE1 PHE A 72 16.033 12.939 -5.266 1.00 10.00 H new ATOM 0 HE2 PHE A 72 18.650 9.593 -4.573 1.00 14.23 H new ATOM 0 HZ PHE A 72 18.304 12.044 -4.799 1.00 13.02 H new ATOM 1037 N GLU A 73 10.661 9.535 -5.051 1.00 11.24 N ATOM 1038 CA GLU A 73 9.513 9.327 -5.923 1.00 13.43 C ATOM 1039 C GLU A 73 9.775 8.434 -7.153 1.00 1.11 C ATOM 1040 O GLU A 73 9.074 7.430 -7.262 1.00 45.25 O ATOM 1041 CB GLU A 73 8.820 10.650 -6.283 1.00 1.11 C ATOM 1042 CG GLU A 73 9.671 11.901 -6.602 1.00 30.34 C ATOM 1043 CD GLU A 73 9.580 12.393 -8.059 1.00 21.31 C ATOM 1044 OE1 GLU A 73 8.486 12.313 -8.669 1.00 42.31 O ATOM 1045 OE2 GLU A 73 10.599 12.893 -8.601 1.00 42.13 O ATOM 0 H GLU A 73 10.685 10.466 -4.636 1.00 11.24 H new ATOM 0 HA GLU A 73 8.814 8.741 -5.326 1.00 13.43 H new ATOM 0 HB2 GLU A 73 8.185 10.460 -7.148 1.00 1.11 H new ATOM 0 HB3 GLU A 73 8.161 10.908 -5.454 1.00 1.11 H new ATOM 0 HG2 GLU A 73 9.363 12.711 -5.941 1.00 30.34 H new ATOM 0 HG3 GLU A 73 10.714 11.681 -6.372 1.00 30.34 H new ATOM 1050 N PRO A 74 10.764 8.683 -8.038 1.00 43.04 N ATOM 1051 CA PRO A 74 10.937 7.880 -9.252 1.00 14.41 C ATOM 1052 C PRO A 74 11.384 6.444 -8.966 1.00 23.12 C ATOM 1053 O PRO A 74 11.273 5.574 -9.829 1.00 42.34 O ATOM 1054 CB PRO A 74 12.017 8.599 -10.064 1.00 30.13 C ATOM 1055 CG PRO A 74 12.846 9.305 -8.995 1.00 1.03 C ATOM 1056 CD PRO A 74 11.765 9.739 -8.022 1.00 25.14 C ATOM 0 HA PRO A 74 9.985 7.794 -9.776 1.00 14.41 H new ATOM 0 HB2 PRO A 74 12.619 7.898 -10.643 1.00 30.13 H new ATOM 0 HB3 PRO A 74 11.585 9.307 -10.771 1.00 30.13 H new ATOM 0 HG2 PRO A 74 13.573 8.638 -8.531 1.00 1.03 H new ATOM 0 HG3 PRO A 74 13.401 10.152 -9.398 1.00 1.03 H new ATOM 0 HD2 PRO A 74 12.173 9.875 -7.020 1.00 25.14 H new ATOM 0 HD3 PRO A 74 11.331 10.693 -8.321 1.00 25.14 H new ATOM 1061 N ASP A 75 11.932 6.190 -7.781 1.00 64.52 N ATOM 1062 CA ASP A 75 12.435 4.880 -7.383 1.00 34.10 C ATOM 1063 C ASP A 75 11.300 4.110 -6.708 1.00 2.01 C ATOM 1064 O ASP A 75 11.258 2.881 -6.727 1.00 73.52 O ATOM 1065 CB ASP A 75 13.598 5.022 -6.385 1.00 30.11 C ATOM 1066 CG ASP A 75 14.815 5.824 -6.861 1.00 54.42 C ATOM 1067 OD1 ASP A 75 14.820 6.414 -7.966 1.00 31.51 O ATOM 1068 OD2 ASP A 75 15.775 5.907 -6.065 1.00 71.12 O ATOM 0 H ASP A 75 12.041 6.902 -7.058 1.00 64.52 H new ATOM 0 HA ASP A 75 12.794 4.353 -8.267 1.00 34.10 H new ATOM 0 HB2 ASP A 75 13.214 5.490 -5.479 1.00 30.11 H new ATOM 0 HB3 ASP A 75 13.935 4.023 -6.109 1.00 30.11 H new ATOM 1072 N LEU A 76 10.374 4.846 -6.088 1.00 53.31 N ATOM 1073 CA LEU A 76 9.196 4.330 -5.424 1.00 72.22 C ATOM 1074 C LEU A 76 8.159 3.978 -6.493 1.00 23.42 C ATOM 1075 O LEU A 76 7.737 2.829 -6.536 1.00 22.54 O ATOM 1076 CB LEU A 76 8.695 5.350 -4.377 1.00 54.22 C ATOM 1077 CG LEU A 76 9.684 5.555 -3.202 1.00 14.00 C ATOM 1078 CD1 LEU A 76 9.347 6.834 -2.436 1.00 32.41 C ATOM 1079 CD2 LEU A 76 9.687 4.414 -2.180 1.00 30.51 C ATOM 0 H LEU A 76 10.437 5.863 -6.039 1.00 53.31 H new ATOM 0 HA LEU A 76 9.414 3.418 -4.868 1.00 72.22 H new ATOM 0 HB2 LEU A 76 8.520 6.308 -4.867 1.00 54.22 H new ATOM 0 HB3 LEU A 76 7.736 5.014 -3.982 1.00 54.22 H new ATOM 0 HG LEU A 76 10.666 5.601 -3.672 1.00 14.00 H new ATOM 0 HD11 LEU A 76 10.052 6.962 -1.614 1.00 32.41 H new ATOM 0 HD12 LEU A 76 9.414 7.689 -3.108 1.00 32.41 H new ATOM 0 HD13 LEU A 76 8.335 6.764 -2.038 1.00 32.41 H new ATOM 0 HD21 LEU A 76 10.405 4.635 -1.390 1.00 30.51 H new ATOM 0 HD22 LEU A 76 8.692 4.311 -1.747 1.00 30.51 H new ATOM 0 HD23 LEU A 76 9.966 3.483 -2.674 1.00 30.51 H new ATOM 1090 N ASP A 77 7.773 4.905 -7.377 1.00 41.42 N ATOM 1091 CA ASP A 77 6.776 4.643 -8.431 1.00 12.00 C ATOM 1092 C ASP A 77 7.202 3.455 -9.302 1.00 3.12 C ATOM 1093 O ASP A 77 6.358 2.650 -9.707 1.00 53.23 O ATOM 1094 CB ASP A 77 6.525 5.885 -9.318 1.00 44.23 C ATOM 1095 CG ASP A 77 5.306 6.711 -8.883 1.00 24.31 C ATOM 1096 OD1 ASP A 77 5.289 7.226 -7.746 1.00 10.11 O ATOM 1097 OD2 ASP A 77 4.354 6.878 -9.671 1.00 45.32 O ATOM 0 H ASP A 77 8.140 5.857 -7.385 1.00 41.42 H new ATOM 0 HA ASP A 77 5.841 4.400 -7.927 1.00 12.00 H new ATOM 0 HB2 ASP A 77 7.410 6.521 -9.299 1.00 44.23 H new ATOM 0 HB3 ASP A 77 6.386 5.563 -10.350 1.00 44.23 H new ATOM 1101 N ALA A 78 8.510 3.306 -9.550 1.00 2.12 N ATOM 1102 CA ALA A 78 9.071 2.194 -10.308 1.00 71.15 C ATOM 1103 C ALA A 78 8.929 0.848 -9.592 1.00 51.03 C ATOM 1104 O ALA A 78 8.833 -0.182 -10.267 1.00 61.41 O ATOM 1105 CB ALA A 78 10.552 2.458 -10.578 1.00 43.13 C ATOM 0 H ALA A 78 9.214 3.968 -9.222 1.00 2.12 H new ATOM 0 HA ALA A 78 8.507 2.129 -11.238 1.00 71.15 H new ATOM 0 HB1 ALA A 78 10.972 1.627 -11.145 1.00 43.13 H new ATOM 0 HB2 ALA A 78 10.659 3.379 -11.151 1.00 43.13 H new ATOM 0 HB3 ALA A 78 11.083 2.556 -9.631 1.00 43.13 H new ATOM 1111 N TYR A 79 8.900 0.825 -8.251 1.00 2.13 N ATOM 1112 CA TYR A 79 8.719 -0.401 -7.478 1.00 50.12 C ATOM 1113 C TYR A 79 7.394 -1.057 -7.857 1.00 4.12 C ATOM 1114 O TYR A 79 7.343 -2.279 -8.020 1.00 10.03 O ATOM 1115 CB TYR A 79 8.706 -0.129 -5.965 1.00 4.44 C ATOM 1116 CG TYR A 79 8.613 -1.389 -5.129 1.00 2.01 C ATOM 1117 CD1 TYR A 79 7.346 -1.918 -4.824 1.00 34.51 C ATOM 1118 CD2 TYR A 79 9.773 -2.069 -4.714 1.00 42.23 C ATOM 1119 CE1 TYR A 79 7.237 -3.125 -4.121 1.00 21.43 C ATOM 1120 CE2 TYR A 79 9.670 -3.287 -4.014 1.00 50.02 C ATOM 1121 CZ TYR A 79 8.394 -3.819 -3.714 1.00 64.24 C ATOM 1122 OH TYR A 79 8.278 -4.994 -3.042 1.00 4.20 O ATOM 0 H TYR A 79 9.002 1.661 -7.676 1.00 2.13 H new ATOM 0 HA TYR A 79 9.559 -1.056 -7.709 1.00 50.12 H new ATOM 0 HB2 TYR A 79 9.612 0.413 -5.693 1.00 4.44 H new ATOM 0 HB3 TYR A 79 7.863 0.519 -5.727 1.00 4.44 H new ATOM 0 HD1 TYR A 79 6.455 -1.392 -5.133 1.00 34.51 H new ATOM 0 HD2 TYR A 79 10.746 -1.655 -4.933 1.00 42.23 H new ATOM 0 HE1 TYR A 79 6.261 -3.526 -3.890 1.00 21.43 H new ATOM 0 HE2 TYR A 79 10.562 -3.813 -3.707 1.00 50.02 H new ATOM 0 HH TYR A 79 9.170 -5.343 -2.836 1.00 4.20 H new ATOM 1131 N ALA A 80 6.325 -0.257 -7.955 1.00 34.51 N ATOM 1132 CA ALA A 80 4.984 -0.721 -8.278 1.00 73.51 C ATOM 1133 C ALA A 80 4.920 -1.384 -9.657 1.00 61.33 C ATOM 1134 O ALA A 80 4.149 -2.328 -9.841 1.00 4.20 O ATOM 1135 CB ALA A 80 4.008 0.454 -8.187 1.00 42.22 C ATOM 0 H ALA A 80 6.377 0.751 -7.808 1.00 34.51 H new ATOM 0 HA ALA A 80 4.701 -1.485 -7.554 1.00 73.51 H new ATOM 0 HB1 ALA A 80 3.002 0.111 -8.428 1.00 42.22 H new ATOM 0 HB2 ALA A 80 4.020 0.860 -7.175 1.00 42.22 H new ATOM 0 HB3 ALA A 80 4.306 1.230 -8.892 1.00 42.22 H new ATOM 1141 N GLU A 81 5.736 -0.943 -10.618 1.00 11.02 N ATOM 1142 CA GLU A 81 5.874 -1.641 -11.890 1.00 54.32 C ATOM 1143 C GLU A 81 6.709 -2.892 -11.685 1.00 54.25 C ATOM 1144 O GLU A 81 6.311 -3.976 -12.105 1.00 11.10 O ATOM 1145 CB GLU A 81 6.498 -0.749 -12.964 1.00 2.32 C ATOM 1146 CG GLU A 81 5.567 0.392 -13.388 1.00 53.45 C ATOM 1147 CD GLU A 81 6.080 0.982 -14.698 1.00 73.43 C ATOM 1148 OE1 GLU A 81 7.162 1.612 -14.690 1.00 65.42 O ATOM 1149 OE2 GLU A 81 5.556 0.621 -15.778 1.00 53.02 O ATOM 0 H GLU A 81 6.310 -0.104 -10.535 1.00 11.02 H new ATOM 0 HA GLU A 81 4.879 -1.915 -12.242 1.00 54.32 H new ATOM 0 HB2 GLU A 81 7.432 -0.332 -12.588 1.00 2.32 H new ATOM 0 HB3 GLU A 81 6.747 -1.354 -13.836 1.00 2.32 H new ATOM 0 HG2 GLU A 81 4.549 0.022 -13.513 1.00 53.45 H new ATOM 0 HG3 GLU A 81 5.534 1.160 -12.615 1.00 53.45 H new ATOM 1154 N ARG A 82 7.866 -2.764 -11.029 1.00 22.12 N ATOM 1155 CA ARG A 82 8.804 -3.863 -10.881 1.00 31.31 C ATOM 1156 C ARG A 82 8.129 -5.078 -10.260 1.00 51.31 C ATOM 1157 O ARG A 82 8.303 -6.179 -10.780 1.00 22.10 O ATOM 1158 CB ARG A 82 10.055 -3.400 -10.114 1.00 73.14 C ATOM 1159 CG ARG A 82 10.997 -4.563 -9.758 1.00 21.50 C ATOM 1160 CD ARG A 82 12.151 -4.108 -8.867 1.00 70.55 C ATOM 1161 NE ARG A 82 13.276 -3.600 -9.670 1.00 43.21 N ATOM 1162 CZ ARG A 82 14.231 -4.349 -10.238 1.00 5.40 C ATOM 1163 NH1 ARG A 82 14.396 -5.618 -9.873 1.00 53.21 N ATOM 1164 NH2 ARG A 82 15.012 -3.848 -11.185 1.00 31.43 N ATOM 0 H ARG A 82 8.171 -1.896 -10.590 1.00 22.12 H new ATOM 0 HA ARG A 82 9.143 -4.181 -11.867 1.00 31.31 H new ATOM 0 HB2 ARG A 82 10.596 -2.671 -10.717 1.00 73.14 H new ATOM 0 HB3 ARG A 82 9.748 -2.893 -9.199 1.00 73.14 H new ATOM 0 HG2 ARG A 82 10.433 -5.345 -9.250 1.00 21.50 H new ATOM 0 HG3 ARG A 82 11.396 -5.001 -10.673 1.00 21.50 H new ATOM 0 HD2 ARG A 82 11.804 -3.329 -8.188 1.00 70.55 H new ATOM 0 HD3 ARG A 82 12.488 -4.941 -8.250 1.00 70.55 H new ATOM 0 HE ARG A 82 13.333 -2.591 -9.806 1.00 43.21 H new ATOM 0 HH11 ARG A 82 13.794 -6.025 -9.157 1.00 53.21 H new ATOM 0 HH12 ARG A 82 15.125 -6.183 -10.309 1.00 53.21 H new ATOM 0 HH21 ARG A 82 14.890 -2.882 -11.489 1.00 31.43 H new ATOM 0 HH22 ARG A 82 15.735 -4.428 -11.610 1.00 31.43 H new ATOM 1175 N ALA A 83 7.358 -4.885 -9.193 1.00 45.42 N ATOM 1176 CA ALA A 83 6.670 -5.955 -8.488 1.00 11.21 C ATOM 1177 C ALA A 83 5.642 -6.613 -9.405 1.00 30.41 C ATOM 1178 O ALA A 83 5.589 -7.838 -9.525 1.00 21.42 O ATOM 1179 CB ALA A 83 6.014 -5.376 -7.221 1.00 42.12 C ATOM 0 H ALA A 83 7.193 -3.963 -8.789 1.00 45.42 H new ATOM 0 HA ALA A 83 7.380 -6.727 -8.190 1.00 11.21 H new ATOM 0 HB1 ALA A 83 5.495 -6.170 -6.685 1.00 42.12 H new ATOM 0 HB2 ALA A 83 6.782 -4.945 -6.578 1.00 42.12 H new ATOM 0 HB3 ALA A 83 5.300 -4.602 -7.502 1.00 42.12 H new ATOM 1185 N ALA A 84 4.859 -5.794 -10.108 1.00 10.23 N ATOM 1186 CA ALA A 84 3.748 -6.260 -10.929 1.00 44.15 C ATOM 1187 C ALA A 84 4.201 -7.029 -12.172 1.00 63.12 C ATOM 1188 O ALA A 84 3.362 -7.567 -12.890 1.00 63.55 O ATOM 1189 CB ALA A 84 2.868 -5.066 -11.311 1.00 53.33 C ATOM 0 H ALA A 84 4.981 -4.781 -10.122 1.00 10.23 H new ATOM 0 HA ALA A 84 3.172 -6.970 -10.335 1.00 44.15 H new ATOM 0 HB1 ALA A 84 2.036 -5.409 -11.925 1.00 53.33 H new ATOM 0 HB2 ALA A 84 2.482 -4.595 -10.407 1.00 53.33 H new ATOM 0 HB3 ALA A 84 3.459 -4.343 -11.873 1.00 53.33 H new ATOM 1195 N ARG A 85 5.508 -7.085 -12.442 1.00 45.24 N ATOM 1196 CA ARG A 85 6.072 -7.738 -13.622 1.00 13.13 C ATOM 1197 C ARG A 85 6.481 -9.183 -13.368 1.00 71.41 C ATOM 1198 O ARG A 85 6.915 -9.840 -14.319 1.00 53.12 O ATOM 1199 CB ARG A 85 7.289 -6.937 -14.071 1.00 71.55 C ATOM 1200 CG ARG A 85 6.908 -5.667 -14.830 1.00 21.10 C ATOM 1201 CD ARG A 85 8.157 -4.782 -14.841 1.00 50.01 C ATOM 1202 NE ARG A 85 8.062 -3.659 -15.790 1.00 64.44 N ATOM 1203 CZ ARG A 85 8.079 -3.780 -17.124 1.00 54.45 C ATOM 1204 NH1 ARG A 85 8.194 -4.981 -17.684 1.00 63.41 N ATOM 1205 NH2 ARG A 85 7.970 -2.703 -17.887 1.00 10.12 N ATOM 0 H ARG A 85 6.215 -6.670 -11.835 1.00 45.24 H new ATOM 0 HA ARG A 85 5.301 -7.764 -14.392 1.00 13.13 H new ATOM 0 HB2 ARG A 85 7.886 -6.670 -13.199 1.00 71.55 H new ATOM 0 HB3 ARG A 85 7.916 -7.562 -14.707 1.00 71.55 H new ATOM 0 HG2 ARG A 85 6.589 -5.902 -15.845 1.00 21.10 H new ATOM 0 HG3 ARG A 85 6.075 -5.158 -14.344 1.00 21.10 H new ATOM 0 HD2 ARG A 85 8.325 -4.389 -13.838 1.00 50.01 H new ATOM 0 HD3 ARG A 85 9.024 -5.391 -15.094 1.00 50.01 H new ATOM 0 HE ARG A 85 7.977 -2.719 -15.402 1.00 64.44 H new ATOM 0 HH11 ARG A 85 8.269 -5.812 -17.097 1.00 63.41 H new ATOM 0 HH12 ARG A 85 8.207 -5.071 -18.700 1.00 63.41 H new ATOM 0 HH21 ARG A 85 7.873 -1.782 -17.459 1.00 10.12 H new ATOM 0 HH22 ARG A 85 7.983 -2.794 -18.903 1.00 10.12 H new ATOM 1216 N ILE A 86 6.430 -9.645 -12.118 1.00 74.15 N ATOM 1217 CA ILE A 86 6.657 -11.051 -11.778 1.00 50.15 C ATOM 1218 C ILE A 86 5.488 -11.594 -10.945 1.00 13.21 C ATOM 1219 O ILE A 86 5.113 -12.757 -11.131 1.00 50.32 O ATOM 1220 CB ILE A 86 8.034 -11.273 -11.097 1.00 24.42 C ATOM 1221 CG1 ILE A 86 9.211 -10.586 -11.837 1.00 71.21 C ATOM 1222 CG2 ILE A 86 8.347 -12.780 -11.019 1.00 53.45 C ATOM 1223 CD1 ILE A 86 9.605 -9.243 -11.213 1.00 50.14 C ATOM 0 H ILE A 86 6.230 -9.054 -11.311 1.00 74.15 H new ATOM 0 HA ILE A 86 6.694 -11.624 -12.705 1.00 50.15 H new ATOM 0 HB ILE A 86 7.948 -10.825 -10.107 1.00 24.42 H new ATOM 0 HG12 ILE A 86 10.075 -11.251 -11.831 1.00 71.21 H new ATOM 0 HG13 ILE A 86 8.936 -10.430 -12.880 1.00 71.21 H new ATOM 0 HG21 ILE A 86 9.315 -12.926 -10.540 1.00 53.45 H new ATOM 0 HG22 ILE A 86 7.574 -13.282 -10.437 1.00 53.45 H new ATOM 0 HG23 ILE A 86 8.373 -13.199 -12.025 1.00 53.45 H new ATOM 0 HD11 ILE A 86 10.434 -8.810 -11.774 1.00 50.14 H new ATOM 0 HD12 ILE A 86 8.753 -8.564 -11.243 1.00 50.14 H new ATOM 0 HD13 ILE A 86 9.909 -9.398 -10.178 1.00 50.14 H new ATOM 1234 N ASP A 87 4.886 -10.774 -10.071 1.00 5.42 N ATOM 1235 CA ASP A 87 3.672 -11.169 -9.351 1.00 53.45 C ATOM 1236 C ASP A 87 2.550 -11.380 -10.370 1.00 71.42 C ATOM 1237 O ASP A 87 2.491 -10.677 -11.385 1.00 61.53 O ATOM 1238 CB ASP A 87 3.271 -10.147 -8.266 1.00 12.04 C ATOM 1239 CG ASP A 87 4.020 -10.357 -6.944 1.00 30.51 C ATOM 1240 OD1 ASP A 87 5.185 -10.810 -6.964 1.00 14.42 O ATOM 1241 OD2 ASP A 87 3.488 -10.023 -5.861 1.00 71.43 O ATOM 0 H ASP A 87 5.221 -9.837 -9.848 1.00 5.42 H new ATOM 0 HA ASP A 87 3.865 -12.100 -8.818 1.00 53.45 H new ATOM 0 HB2 ASP A 87 3.467 -9.139 -8.633 1.00 12.04 H new ATOM 0 HB3 ASP A 87 2.198 -10.218 -8.086 1.00 12.04 H new ATOM 1245 N PRO A 88 1.656 -12.351 -10.125 1.00 50.05 N ATOM 1246 CA PRO A 88 0.694 -12.807 -11.115 1.00 42.04 C ATOM 1247 C PRO A 88 -0.431 -11.794 -11.322 1.00 63.14 C ATOM 1248 O PRO A 88 -0.947 -11.685 -12.435 1.00 45.11 O ATOM 1249 CB PRO A 88 0.162 -14.138 -10.567 1.00 31.43 C ATOM 1250 CG PRO A 88 0.311 -13.972 -9.055 1.00 70.55 C ATOM 1251 CD PRO A 88 1.591 -13.169 -8.925 1.00 64.24 C ATOM 0 HA PRO A 88 1.152 -12.926 -12.097 1.00 42.04 H new ATOM 0 HB2 PRO A 88 -0.876 -14.307 -10.854 1.00 31.43 H new ATOM 0 HB3 PRO A 88 0.737 -14.986 -10.938 1.00 31.43 H new ATOM 0 HG2 PRO A 88 -0.540 -13.448 -8.621 1.00 70.55 H new ATOM 0 HG3 PRO A 88 0.385 -14.934 -8.549 1.00 70.55 H new ATOM 0 HD2 PRO A 88 1.577 -12.550 -8.028 1.00 64.24 H new ATOM 0 HD3 PRO A 88 2.459 -13.823 -8.848 1.00 64.24 H new ATOM 1256 N ASP A 89 -0.843 -11.083 -10.266 1.00 45.22 N ATOM 1257 CA ASP A 89 -1.894 -10.088 -10.264 1.00 62.44 C ATOM 1258 C ASP A 89 -1.824 -9.417 -8.891 1.00 30.30 C ATOM 1259 O ASP A 89 -2.341 -9.962 -7.912 1.00 10.13 O ATOM 1260 CB ASP A 89 -3.272 -10.744 -10.438 1.00 23.34 C ATOM 1261 CG ASP A 89 -3.875 -10.603 -11.835 1.00 43.01 C ATOM 1262 OD1 ASP A 89 -3.924 -9.463 -12.353 1.00 11.24 O ATOM 1263 OD2 ASP A 89 -4.351 -11.612 -12.403 1.00 33.53 O ATOM 0 H ASP A 89 -0.422 -11.201 -9.345 1.00 45.22 H new ATOM 0 HA ASP A 89 -1.763 -9.381 -11.083 1.00 62.44 H new ATOM 0 HB2 ASP A 89 -3.187 -11.804 -10.199 1.00 23.34 H new ATOM 0 HB3 ASP A 89 -3.961 -10.308 -9.714 1.00 23.34 H new ATOM 1267 N ILE A 90 -1.158 -8.272 -8.797 1.00 23.23 N ATOM 1268 CA ILE A 90 -0.970 -7.505 -7.564 1.00 63.43 C ATOM 1269 C ILE A 90 -1.816 -6.225 -7.615 1.00 50.35 C ATOM 1270 O ILE A 90 -2.121 -5.719 -8.693 1.00 32.54 O ATOM 1271 CB ILE A 90 0.543 -7.262 -7.341 1.00 21.50 C ATOM 1272 CG1 ILE A 90 0.829 -6.374 -6.114 1.00 51.24 C ATOM 1273 CG2 ILE A 90 1.236 -6.667 -8.579 1.00 4.13 C ATOM 1274 CD1 ILE A 90 2.239 -6.561 -5.557 1.00 1.44 C ATOM 0 H ILE A 90 -0.717 -7.833 -9.605 1.00 23.23 H new ATOM 0 HA ILE A 90 -1.324 -8.060 -6.695 1.00 63.43 H new ATOM 0 HB ILE A 90 0.961 -8.251 -7.154 1.00 21.50 H new ATOM 0 HG12 ILE A 90 0.689 -5.329 -6.388 1.00 51.24 H new ATOM 0 HG13 ILE A 90 0.103 -6.599 -5.333 1.00 51.24 H new ATOM 0 HG21 ILE A 90 2.295 -6.517 -8.367 1.00 4.13 H new ATOM 0 HG22 ILE A 90 1.128 -7.351 -9.421 1.00 4.13 H new ATOM 0 HG23 ILE A 90 0.777 -5.710 -8.828 1.00 4.13 H new ATOM 0 HD11 ILE A 90 2.379 -5.909 -4.695 1.00 1.44 H new ATOM 0 HD12 ILE A 90 2.375 -7.599 -5.253 1.00 1.44 H new ATOM 0 HD13 ILE A 90 2.970 -6.309 -6.325 1.00 1.44 H new ATOM 1285 N TRP A 91 -2.204 -5.701 -6.453 1.00 13.00 N ATOM 1286 CA TRP A 91 -2.902 -4.431 -6.307 1.00 61.34 C ATOM 1287 C TRP A 91 -1.899 -3.346 -5.917 1.00 31.44 C ATOM 1288 O TRP A 91 -1.001 -3.590 -5.112 1.00 4.20 O ATOM 1289 CB TRP A 91 -3.960 -4.552 -5.208 1.00 43.44 C ATOM 1290 CG TRP A 91 -5.087 -5.516 -5.440 1.00 70.13 C ATOM 1291 CD1 TRP A 91 -4.989 -6.859 -5.544 1.00 70.22 C ATOM 1292 CD2 TRP A 91 -6.508 -5.226 -5.539 1.00 12.32 C ATOM 1293 NE1 TRP A 91 -6.242 -7.399 -5.752 1.00 65.45 N ATOM 1294 CE2 TRP A 91 -7.219 -6.432 -5.779 1.00 72.11 C ATOM 1295 CE3 TRP A 91 -7.268 -4.051 -5.420 1.00 25.43 C ATOM 1296 CZ2 TRP A 91 -8.610 -6.454 -5.951 1.00 45.34 C ATOM 1297 CZ3 TRP A 91 -8.662 -4.049 -5.575 1.00 24.22 C ATOM 1298 CH2 TRP A 91 -9.328 -5.251 -5.851 1.00 54.24 C ATOM 0 H TRP A 91 -2.034 -6.166 -5.561 1.00 13.00 H new ATOM 0 HA TRP A 91 -3.382 -4.171 -7.250 1.00 61.34 H new ATOM 0 HB2 TRP A 91 -3.456 -4.838 -4.285 1.00 43.44 H new ATOM 0 HB3 TRP A 91 -4.390 -3.564 -5.043 1.00 43.44 H new ATOM 0 HD1 TRP A 91 -4.071 -7.424 -5.475 1.00 70.22 H new ATOM 0 HE1 TRP A 91 -6.422 -8.396 -5.871 1.00 65.45 H new ATOM 0 HE3 TRP A 91 -6.764 -3.121 -5.203 1.00 25.43 H new ATOM 0 HZ2 TRP A 91 -9.122 -7.382 -6.157 1.00 45.34 H new ATOM 0 HZ3 TRP A 91 -9.218 -3.128 -5.482 1.00 24.22 H new ATOM 0 HH2 TRP A 91 -10.399 -5.252 -5.988 1.00 54.24 H new ATOM 1308 N VAL A 92 -2.092 -2.125 -6.411 1.00 43.42 N ATOM 1309 CA VAL A 92 -1.219 -0.985 -6.149 1.00 44.35 C ATOM 1310 C VAL A 92 -2.096 0.096 -5.532 1.00 4.41 C ATOM 1311 O VAL A 92 -2.895 0.703 -6.242 1.00 45.35 O ATOM 1312 CB VAL A 92 -0.541 -0.521 -7.454 1.00 23.12 C ATOM 1313 CG1 VAL A 92 0.358 0.701 -7.244 1.00 2.12 C ATOM 1314 CG2 VAL A 92 0.318 -1.613 -8.106 1.00 43.13 C ATOM 0 H VAL A 92 -2.879 -1.896 -7.019 1.00 43.42 H new ATOM 0 HA VAL A 92 -0.409 -1.238 -5.465 1.00 44.35 H new ATOM 0 HB VAL A 92 -1.373 -0.269 -8.111 1.00 23.12 H new ATOM 0 HG11 VAL A 92 0.811 0.987 -8.193 1.00 2.12 H new ATOM 0 HG12 VAL A 92 -0.238 1.530 -6.862 1.00 2.12 H new ATOM 0 HG13 VAL A 92 1.142 0.457 -6.527 1.00 2.12 H new ATOM 0 HG21 VAL A 92 0.768 -1.225 -9.020 1.00 43.13 H new ATOM 0 HG22 VAL A 92 1.104 -1.918 -7.416 1.00 43.13 H new ATOM 0 HG23 VAL A 92 -0.307 -2.473 -8.346 1.00 43.13 H new ATOM 1324 N VAL A 93 -1.997 0.304 -4.222 1.00 51.14 N ATOM 1325 CA VAL A 93 -2.812 1.266 -3.492 1.00 33.13 C ATOM 1326 C VAL A 93 -1.931 2.494 -3.243 1.00 65.14 C ATOM 1327 O VAL A 93 -0.884 2.366 -2.603 1.00 53.05 O ATOM 1328 CB VAL A 93 -3.355 0.631 -2.192 1.00 41.25 C ATOM 1329 CG1 VAL A 93 -4.558 1.429 -1.694 1.00 53.14 C ATOM 1330 CG2 VAL A 93 -3.849 -0.818 -2.358 1.00 71.11 C ATOM 0 H VAL A 93 -1.337 -0.200 -3.630 1.00 51.14 H new ATOM 0 HA VAL A 93 -3.693 1.569 -4.058 1.00 33.13 H new ATOM 0 HB VAL A 93 -2.513 0.639 -1.500 1.00 41.25 H new ATOM 0 HG11 VAL A 93 -4.939 0.979 -0.777 1.00 53.14 H new ATOM 0 HG12 VAL A 93 -4.256 2.457 -1.495 1.00 53.14 H new ATOM 0 HG13 VAL A 93 -5.340 1.421 -2.454 1.00 53.14 H new ATOM 0 HG21 VAL A 93 -4.214 -1.190 -1.401 1.00 71.11 H new ATOM 0 HG22 VAL A 93 -4.657 -0.846 -3.089 1.00 71.11 H new ATOM 0 HG23 VAL A 93 -3.027 -1.446 -2.702 1.00 71.11 H new ATOM 1340 N GLU A 94 -2.318 3.657 -3.769 1.00 4.33 N ATOM 1341 CA GLU A 94 -1.548 4.895 -3.715 1.00 32.43 C ATOM 1342 C GLU A 94 -2.340 5.915 -2.899 1.00 2.33 C ATOM 1343 O GLU A 94 -3.412 6.333 -3.338 1.00 3.04 O ATOM 1344 CB GLU A 94 -1.217 5.407 -5.133 1.00 51.23 C ATOM 1345 CG GLU A 94 -0.468 4.359 -5.975 1.00 53.02 C ATOM 1346 CD GLU A 94 0.298 4.967 -7.156 1.00 24.50 C ATOM 1347 OE1 GLU A 94 1.339 5.623 -6.921 1.00 50.02 O ATOM 1348 OE2 GLU A 94 -0.093 4.714 -8.318 1.00 42.22 O ATOM 0 H GLU A 94 -3.206 3.764 -4.260 1.00 4.33 H new ATOM 0 HA GLU A 94 -0.588 4.721 -3.229 1.00 32.43 H new ATOM 0 HB2 GLU A 94 -2.141 5.685 -5.641 1.00 51.23 H new ATOM 0 HB3 GLU A 94 -0.611 6.310 -5.058 1.00 51.23 H new ATOM 0 HG2 GLU A 94 0.231 3.821 -5.335 1.00 53.02 H new ATOM 0 HG3 GLU A 94 -1.183 3.627 -6.352 1.00 53.02 H new ATOM 1353 N ILE A 95 -1.847 6.257 -1.703 1.00 13.32 N ATOM 1354 CA ILE A 95 -2.414 7.230 -0.769 1.00 40.01 C ATOM 1355 C ILE A 95 -1.574 8.517 -0.927 1.00 34.25 C ATOM 1356 O ILE A 95 -0.347 8.461 -0.834 1.00 62.51 O ATOM 1357 CB ILE A 95 -2.405 6.628 0.675 1.00 12.31 C ATOM 1358 CG1 ILE A 95 -3.409 5.465 0.893 1.00 33.30 C ATOM 1359 CG2 ILE A 95 -2.724 7.653 1.766 1.00 22.55 C ATOM 1360 CD1 ILE A 95 -3.001 4.099 0.333 1.00 61.41 C ATOM 0 H ILE A 95 -0.991 5.836 -1.342 1.00 13.32 H new ATOM 0 HA ILE A 95 -3.457 7.471 -0.972 1.00 40.01 H new ATOM 0 HB ILE A 95 -1.381 6.265 0.758 1.00 12.31 H new ATOM 0 HG12 ILE A 95 -3.580 5.358 1.964 1.00 33.30 H new ATOM 0 HG13 ILE A 95 -4.362 5.747 0.445 1.00 33.30 H new ATOM 0 HG21 ILE A 95 -2.700 7.166 2.741 1.00 22.55 H new ATOM 0 HG22 ILE A 95 -1.984 8.453 1.742 1.00 22.55 H new ATOM 0 HG23 ILE A 95 -3.716 8.071 1.593 1.00 22.55 H new ATOM 0 HD11 ILE A 95 -3.782 3.370 0.548 1.00 61.41 H new ATOM 0 HD12 ILE A 95 -2.862 4.175 -0.745 1.00 61.41 H new ATOM 0 HD13 ILE A 95 -2.068 3.779 0.798 1.00 61.41 H new ATOM 1371 N GLU A 96 -2.199 9.672 -1.172 1.00 0.35 N ATOM 1372 CA GLU A 96 -1.554 10.987 -1.208 1.00 13.33 C ATOM 1373 C GLU A 96 -2.104 11.807 -0.039 1.00 52.04 C ATOM 1374 O GLU A 96 -3.193 12.391 -0.134 1.00 21.35 O ATOM 1375 CB GLU A 96 -1.814 11.739 -2.528 1.00 74.44 C ATOM 1376 CG GLU A 96 -0.726 11.651 -3.607 1.00 70.10 C ATOM 1377 CD GLU A 96 -0.916 12.753 -4.661 1.00 70.52 C ATOM 1378 OE1 GLU A 96 -1.237 13.905 -4.290 1.00 54.34 O ATOM 1379 OE2 GLU A 96 -0.649 12.541 -5.863 1.00 71.30 O ATOM 0 H GLU A 96 -3.201 9.719 -1.357 1.00 0.35 H new ATOM 0 HA GLU A 96 -0.476 10.846 -1.132 1.00 13.33 H new ATOM 0 HB2 GLU A 96 -2.744 11.364 -2.954 1.00 74.44 H new ATOM 0 HB3 GLU A 96 -1.973 12.791 -2.293 1.00 74.44 H new ATOM 0 HG2 GLU A 96 0.258 11.746 -3.147 1.00 70.10 H new ATOM 0 HG3 GLU A 96 -0.760 10.673 -4.086 1.00 70.10 H new ATOM 1384 N ASP A 97 -1.351 11.882 1.059 1.00 55.03 N ATOM 1385 CA ASP A 97 -1.737 12.653 2.236 1.00 74.51 C ATOM 1386 C ASP A 97 -0.800 13.851 2.352 1.00 43.31 C ATOM 1387 O ASP A 97 0.184 13.961 1.629 1.00 12.05 O ATOM 1388 CB ASP A 97 -1.680 11.800 3.513 1.00 74.42 C ATOM 1389 CG ASP A 97 -2.539 10.538 3.480 1.00 12.23 C ATOM 1390 OD1 ASP A 97 -3.612 10.563 2.839 1.00 13.25 O ATOM 1391 OD2 ASP A 97 -2.165 9.567 4.169 1.00 33.23 O ATOM 0 H ASP A 97 -0.453 11.407 1.155 1.00 55.03 H new ATOM 0 HA ASP A 97 -2.768 12.989 2.123 1.00 74.51 H new ATOM 0 HB2 ASP A 97 -0.644 11.513 3.695 1.00 74.42 H new ATOM 0 HB3 ASP A 97 -1.994 12.414 4.357 1.00 74.42 H new ATOM 1395 N ARG A 98 -1.078 14.774 3.271 1.00 72.12 N ATOM 1396 CA ARG A 98 -0.141 15.843 3.604 1.00 75.20 C ATOM 1397 C ARG A 98 0.936 15.316 4.534 1.00 55.11 C ATOM 1398 O ARG A 98 2.109 15.354 4.186 1.00 32.52 O ATOM 1399 CB ARG A 98 -0.923 17.031 4.181 1.00 33.15 C ATOM 1400 CG ARG A 98 -1.654 17.732 3.034 1.00 54.40 C ATOM 1401 CD ARG A 98 -2.356 19.009 3.486 1.00 1.41 C ATOM 1402 NE ARG A 98 -2.915 19.694 2.317 1.00 52.44 N ATOM 1403 CZ ARG A 98 -3.259 20.979 2.252 1.00 1.43 C ATOM 1404 NH1 ARG A 98 -3.286 21.735 3.342 1.00 34.42 N ATOM 1405 NH2 ARG A 98 -3.588 21.533 1.095 1.00 33.14 N ATOM 0 H ARG A 98 -1.950 14.802 3.800 1.00 72.12 H new ATOM 0 HA ARG A 98 0.376 16.201 2.713 1.00 75.20 H new ATOM 0 HB2 ARG A 98 -1.636 16.687 4.931 1.00 33.15 H new ATOM 0 HB3 ARG A 98 -0.246 17.725 4.679 1.00 33.15 H new ATOM 0 HG2 ARG A 98 -0.941 17.972 2.245 1.00 54.40 H new ATOM 0 HG3 ARG A 98 -2.388 17.050 2.604 1.00 54.40 H new ATOM 0 HD2 ARG A 98 -3.148 18.770 4.195 1.00 1.41 H new ATOM 0 HD3 ARG A 98 -1.652 19.662 4.002 1.00 1.41 H new ATOM 0 HE ARG A 98 -3.053 19.135 1.475 1.00 52.44 H new ATOM 0 HH11 ARG A 98 -3.041 21.334 4.247 1.00 34.42 H new ATOM 0 HH12 ARG A 98 -3.552 22.717 3.275 1.00 34.42 H new ATOM 0 HH21 ARG A 98 -3.580 20.975 0.241 1.00 33.14 H new ATOM 0 HH22 ARG A 98 -3.850 22.518 1.057 1.00 33.14 H new ATOM 1416 N ASP A 99 0.547 14.847 5.716 1.00 43.24 N ATOM 1417 CA ASP A 99 1.461 14.640 6.846 1.00 32.53 C ATOM 1418 C ASP A 99 2.276 13.344 6.787 1.00 61.53 C ATOM 1419 O ASP A 99 2.806 12.907 7.809 1.00 24.12 O ATOM 1420 CB ASP A 99 0.667 14.709 8.157 1.00 1.35 C ATOM 1421 CG ASP A 99 1.567 15.180 9.293 1.00 22.11 C ATOM 1422 OD1 ASP A 99 2.132 16.282 9.149 1.00 73.50 O ATOM 1423 OD2 ASP A 99 1.600 14.556 10.380 1.00 44.03 O ATOM 0 H ASP A 99 -0.420 14.596 5.923 1.00 43.24 H new ATOM 0 HA ASP A 99 2.199 15.440 6.790 1.00 32.53 H new ATOM 0 HB2 ASP A 99 -0.176 15.391 8.045 1.00 1.35 H new ATOM 0 HB3 ASP A 99 0.254 13.728 8.393 1.00 1.35 H new ATOM 1427 N GLY A 100 2.326 12.680 5.629 1.00 53.30 N ATOM 1428 CA GLY A 100 2.962 11.373 5.523 1.00 12.34 C ATOM 1429 C GLY A 100 2.185 10.314 6.306 1.00 60.53 C ATOM 1430 O GLY A 100 2.772 9.410 6.907 1.00 2.42 O ATOM 0 H GLY A 100 1.933 13.029 4.755 1.00 53.30 H new ATOM 0 HA2 GLY A 100 3.025 11.080 4.475 1.00 12.34 H new ATOM 0 HA3 GLY A 100 3.983 11.431 5.900 1.00 12.34 H new ATOM 1434 N ARG A 101 0.857 10.455 6.355 1.00 0.34 N ATOM 1435 CA ARG A 101 -0.052 9.471 6.926 1.00 42.03 C ATOM 1436 C ARG A 101 -0.031 8.191 6.088 1.00 31.51 C ATOM 1437 O ARG A 101 0.745 8.036 5.148 1.00 61.54 O ATOM 1438 CB ARG A 101 -1.462 10.092 7.048 1.00 73.30 C ATOM 1439 CG ARG A 101 -1.659 10.826 8.378 1.00 75.40 C ATOM 1440 CD ARG A 101 -3.012 10.475 9.013 1.00 51.24 C ATOM 1441 NE ARG A 101 -2.996 10.772 10.453 1.00 61.13 N ATOM 1442 CZ ARG A 101 -2.648 11.940 10.994 1.00 71.53 C ATOM 1443 NH1 ARG A 101 -2.932 13.090 10.391 1.00 60.11 N ATOM 1444 NH2 ARG A 101 -1.975 11.941 12.139 1.00 61.51 N ATOM 0 H ARG A 101 0.378 11.278 5.989 1.00 0.34 H new ATOM 0 HA ARG A 101 0.268 9.190 7.929 1.00 42.03 H new ATOM 0 HB2 ARG A 101 -1.623 10.787 6.224 1.00 73.30 H new ATOM 0 HB3 ARG A 101 -2.212 9.307 6.954 1.00 73.30 H new ATOM 0 HG2 ARG A 101 -0.854 10.563 9.064 1.00 75.40 H new ATOM 0 HG3 ARG A 101 -1.600 11.902 8.214 1.00 75.40 H new ATOM 0 HD2 ARG A 101 -3.807 11.042 8.527 1.00 51.24 H new ATOM 0 HD3 ARG A 101 -3.232 9.419 8.856 1.00 51.24 H new ATOM 0 HE ARG A 101 -3.273 10.025 11.089 1.00 61.13 H new ATOM 0 HH11 ARG A 101 -3.425 13.089 9.498 1.00 60.11 H new ATOM 0 HH12 ARG A 101 -2.657 13.973 10.821 1.00 60.11 H new ATOM 0 HH21 ARG A 101 -1.733 11.058 12.589 1.00 61.51 H new ATOM 0 HH22 ARG A 101 -1.700 12.825 12.568 1.00 61.51 H new ATOM 1455 N HIS A 102 -0.836 7.219 6.501 1.00 13.12 N ATOM 1456 CA HIS A 102 -1.078 5.995 5.752 1.00 71.41 C ATOM 1457 C HIS A 102 -2.561 5.657 5.745 1.00 63.31 C ATOM 1458 O HIS A 102 -3.016 4.956 4.845 1.00 61.52 O ATOM 1459 CB HIS A 102 -0.280 4.829 6.357 1.00 43.41 C ATOM 1460 CG HIS A 102 -0.361 4.713 7.864 1.00 60.34 C ATOM 1461 ND1 HIS A 102 -1.237 3.958 8.616 1.00 2.44 N ATOM 1462 CD2 HIS A 102 0.483 5.342 8.737 1.00 40.42 C ATOM 1463 CE1 HIS A 102 -0.913 4.111 9.908 1.00 35.25 C ATOM 1464 NE2 HIS A 102 0.131 4.949 10.035 1.00 21.25 N ATOM 0 H HIS A 102 -1.348 7.262 7.382 1.00 13.12 H new ATOM 0 HA HIS A 102 -0.749 6.154 4.725 1.00 71.41 H new ATOM 0 HB2 HIS A 102 -0.636 3.898 5.916 1.00 43.41 H new ATOM 0 HB3 HIS A 102 0.766 4.938 6.072 1.00 43.41 H new ATOM 0 HD2 HIS A 102 1.280 6.021 8.473 1.00 40.42 H new ATOM 0 HE1 HIS A 102 -1.419 3.629 10.731 1.00 35.25 H new ATOM 0 HE2 HIS A 102 0.578 5.241 10.904 1.00 21.25 H new ATOM 1471 N PHE A 103 -3.300 6.051 6.790 1.00 73.12 N ATOM 1472 CA PHE A 103 -4.690 5.699 7.089 1.00 52.23 C ATOM 1473 C PHE A 103 -4.918 4.194 7.258 1.00 62.22 C ATOM 1474 O PHE A 103 -6.012 3.762 7.633 1.00 54.03 O ATOM 1475 CB PHE A 103 -5.632 6.336 6.061 1.00 55.11 C ATOM 1476 CG PHE A 103 -5.801 7.828 6.269 1.00 35.14 C ATOM 1477 CD1 PHE A 103 -6.755 8.303 7.191 1.00 0.04 C ATOM 1478 CD2 PHE A 103 -5.014 8.744 5.545 1.00 35.55 C ATOM 1479 CE1 PHE A 103 -6.943 9.685 7.372 1.00 64.40 C ATOM 1480 CE2 PHE A 103 -5.214 10.125 5.719 1.00 61.14 C ATOM 1481 CZ PHE A 103 -6.178 10.596 6.627 1.00 11.15 C ATOM 0 H PHE A 103 -2.911 6.671 7.501 1.00 73.12 H new ATOM 0 HA PHE A 103 -4.928 6.117 8.067 1.00 52.23 H new ATOM 0 HB2 PHE A 103 -5.245 6.154 5.058 1.00 55.11 H new ATOM 0 HB3 PHE A 103 -6.607 5.852 6.119 1.00 55.11 H new ATOM 0 HD1 PHE A 103 -7.345 7.602 7.762 1.00 0.04 H new ATOM 0 HD2 PHE A 103 -4.260 8.387 4.859 1.00 35.55 H new ATOM 0 HE1 PHE A 103 -7.674 10.044 8.082 1.00 64.40 H new ATOM 0 HE2 PHE A 103 -4.623 10.828 5.151 1.00 61.14 H new ATOM 0 HZ PHE A 103 -6.330 11.658 6.751 1.00 11.15 H new ATOM 1490 N LEU A 104 -3.886 3.385 7.026 1.00 23.31 N ATOM 1491 CA LEU A 104 -3.916 1.947 7.151 1.00 32.32 C ATOM 1492 C LEU A 104 -4.107 1.588 8.641 1.00 74.22 C ATOM 1493 O LEU A 104 -3.785 2.384 9.526 1.00 21.10 O ATOM 1494 CB LEU A 104 -2.671 1.366 6.412 1.00 75.45 C ATOM 1495 CG LEU A 104 -1.514 0.816 7.210 1.00 14.11 C ATOM 1496 CD1 LEU A 104 -2.015 -0.607 7.384 1.00 34.33 C ATOM 1497 CD2 LEU A 104 -0.216 0.864 6.367 1.00 4.44 C ATOM 0 H LEU A 104 -2.974 3.737 6.735 1.00 23.31 H new ATOM 0 HA LEU A 104 -4.763 1.470 6.658 1.00 32.32 H new ATOM 0 HB2 LEU A 104 -3.024 0.568 5.759 1.00 75.45 H new ATOM 0 HB3 LEU A 104 -2.278 2.154 5.769 1.00 75.45 H new ATOM 0 HG LEU A 104 -1.265 1.338 8.134 1.00 14.11 H new ATOM 0 HD11 LEU A 104 -1.287 -1.181 7.957 1.00 34.33 H new ATOM 0 HD12 LEU A 104 -2.967 -0.595 7.914 1.00 34.33 H new ATOM 0 HD13 LEU A 104 -2.151 -1.067 6.405 1.00 34.33 H new ATOM 0 HD21 LEU A 104 0.613 0.465 6.952 1.00 4.44 H new ATOM 0 HD22 LEU A 104 -0.345 0.265 5.465 1.00 4.44 H new ATOM 0 HD23 LEU A 104 -0.000 1.896 6.089 1.00 4.44 H new ATOM 1508 N THR A 105 -4.671 0.416 8.940 1.00 72.25 N ATOM 1509 CA THR A 105 -5.105 0.002 10.271 1.00 73.02 C ATOM 1510 C THR A 105 -4.543 -1.391 10.641 1.00 2.23 C ATOM 1511 O THR A 105 -5.154 -2.138 11.406 1.00 2.41 O ATOM 1512 CB THR A 105 -6.639 0.164 10.269 1.00 43.52 C ATOM 1513 OG1 THR A 105 -7.126 0.369 11.580 1.00 55.14 O ATOM 1514 CG2 THR A 105 -7.402 -0.948 9.535 1.00 73.33 C ATOM 0 H THR A 105 -4.844 -0.297 8.232 1.00 72.25 H new ATOM 0 HA THR A 105 -4.705 0.615 11.078 1.00 73.02 H new ATOM 0 HB THR A 105 -6.839 1.059 9.680 1.00 43.52 H new ATOM 0 HG1 THR A 105 -8.100 0.471 11.555 1.00 55.14 H new ATOM 0 HG21 THR A 105 -8.473 -0.750 9.586 1.00 73.33 H new ATOM 0 HG22 THR A 105 -7.088 -0.977 8.492 1.00 73.33 H new ATOM 0 HG23 THR A 105 -7.188 -1.908 10.005 1.00 73.33 H new ATOM 1522 N GLU A 106 -3.380 -1.743 10.087 1.00 1.22 N ATOM 1523 CA GLU A 106 -2.701 -3.047 10.143 1.00 61.25 C ATOM 1524 C GLU A 106 -1.227 -2.800 10.550 1.00 13.12 C ATOM 1525 O GLU A 106 -0.815 -1.632 10.560 1.00 61.05 O ATOM 1526 CB GLU A 106 -2.875 -3.754 8.773 1.00 4.24 C ATOM 1527 CG GLU A 106 -4.363 -4.065 8.520 1.00 23.10 C ATOM 1528 CD GLU A 106 -4.676 -4.763 7.197 1.00 21.00 C ATOM 1529 OE1 GLU A 106 -3.935 -4.611 6.197 1.00 2.42 O ATOM 1530 OE2 GLU A 106 -5.762 -5.391 7.140 1.00 73.22 O ATOM 0 H GLU A 106 -2.842 -1.070 9.542 1.00 1.22 H new ATOM 0 HA GLU A 106 -3.129 -3.716 10.889 1.00 61.25 H new ATOM 0 HB2 GLU A 106 -2.488 -3.119 7.976 1.00 4.24 H new ATOM 0 HB3 GLU A 106 -2.295 -4.677 8.755 1.00 4.24 H new ATOM 0 HG2 GLU A 106 -4.729 -4.689 9.335 1.00 23.10 H new ATOM 0 HG3 GLU A 106 -4.923 -3.130 8.558 1.00 23.10 H new ATOM 1535 N PRO A 107 -0.440 -3.815 10.964 1.00 1.44 N ATOM 1536 CA PRO A 107 0.928 -3.600 11.444 1.00 75.33 C ATOM 1537 C PRO A 107 1.871 -3.171 10.307 1.00 61.01 C ATOM 1538 O PRO A 107 1.718 -3.608 9.161 1.00 2.12 O ATOM 1539 CB PRO A 107 1.356 -4.927 12.082 1.00 41.14 C ATOM 1540 CG PRO A 107 0.493 -5.968 11.374 1.00 34.04 C ATOM 1541 CD PRO A 107 -0.813 -5.217 11.118 1.00 2.10 C ATOM 0 HA PRO A 107 0.974 -2.785 12.167 1.00 75.33 H new ATOM 0 HB2 PRO A 107 2.418 -5.119 11.931 1.00 41.14 H new ATOM 0 HB3 PRO A 107 1.182 -4.928 13.158 1.00 41.14 H new ATOM 0 HG2 PRO A 107 0.951 -6.308 10.445 1.00 34.04 H new ATOM 0 HG3 PRO A 107 0.336 -6.851 11.994 1.00 34.04 H new ATOM 0 HD2 PRO A 107 -1.310 -5.590 10.223 1.00 2.10 H new ATOM 0 HD3 PRO A 107 -1.509 -5.348 11.947 1.00 2.10 H new ATOM 1546 N VAL A 108 2.864 -2.338 10.633 1.00 34.13 N ATOM 1547 CA VAL A 108 3.755 -1.690 9.677 1.00 64.05 C ATOM 1548 C VAL A 108 5.178 -1.729 10.236 1.00 24.01 C ATOM 1549 O VAL A 108 5.478 -1.091 11.248 1.00 54.53 O ATOM 1550 CB VAL A 108 3.295 -0.251 9.368 1.00 14.22 C ATOM 1551 CG1 VAL A 108 4.017 0.304 8.136 1.00 54.41 C ATOM 1552 CG2 VAL A 108 1.789 -0.142 9.134 1.00 15.24 C ATOM 0 H VAL A 108 3.073 -2.091 11.600 1.00 34.13 H new ATOM 0 HA VAL A 108 3.730 -2.226 8.728 1.00 64.05 H new ATOM 0 HB VAL A 108 3.548 0.333 10.253 1.00 14.22 H new ATOM 0 HG11 VAL A 108 3.674 1.320 7.940 1.00 54.41 H new ATOM 0 HG12 VAL A 108 5.092 0.312 8.317 1.00 54.41 H new ATOM 0 HG13 VAL A 108 3.800 -0.325 7.273 1.00 54.41 H new ATOM 0 HG21 VAL A 108 1.528 0.895 8.921 1.00 15.24 H new ATOM 0 HG22 VAL A 108 1.506 -0.768 8.288 1.00 15.24 H new ATOM 0 HG23 VAL A 108 1.257 -0.475 10.025 1.00 15.24 H new ATOM 1562 N GLU A 109 6.028 -2.511 9.578 1.00 71.04 N ATOM 1563 CA GLU A 109 7.470 -2.632 9.751 1.00 35.32 C ATOM 1564 C GLU A 109 8.180 -1.343 9.310 1.00 15.30 C ATOM 1565 O GLU A 109 7.550 -0.313 9.037 1.00 60.35 O ATOM 1566 CB GLU A 109 7.929 -3.867 8.941 1.00 41.11 C ATOM 1567 CG GLU A 109 8.398 -5.046 9.815 1.00 34.41 C ATOM 1568 CD GLU A 109 9.854 -5.483 9.619 1.00 3.52 C ATOM 1569 OE1 GLU A 109 10.534 -5.027 8.674 1.00 61.45 O ATOM 1570 OE2 GLU A 109 10.329 -6.319 10.423 1.00 53.31 O ATOM 0 H GLU A 109 5.693 -3.133 8.842 1.00 71.04 H new ATOM 0 HA GLU A 109 7.730 -2.771 10.800 1.00 35.32 H new ATOM 0 HB2 GLU A 109 7.107 -4.201 8.308 1.00 41.11 H new ATOM 0 HB3 GLU A 109 8.742 -3.573 8.278 1.00 41.11 H new ATOM 0 HG2 GLU A 109 8.257 -4.777 10.862 1.00 34.41 H new ATOM 0 HG3 GLU A 109 7.752 -5.901 9.616 1.00 34.41 H new ATOM 1575 N SER A 110 9.513 -1.364 9.294 1.00 63.31 N ATOM 1576 CA SER A 110 10.319 -0.227 8.884 1.00 75.14 C ATOM 1577 C SER A 110 11.708 -0.664 8.432 1.00 35.21 C ATOM 1578 O SER A 110 11.941 -1.849 8.124 1.00 23.23 O ATOM 1579 CB SER A 110 10.389 0.756 10.057 1.00 34.22 C ATOM 1580 OG SER A 110 10.949 1.966 9.588 1.00 21.30 O ATOM 0 H SER A 110 10.062 -2.179 9.568 1.00 63.31 H new ATOM 0 HA SER A 110 9.860 0.262 8.025 1.00 75.14 H new ATOM 0 HB2 SER A 110 9.394 0.931 10.466 1.00 34.22 H new ATOM 0 HB3 SER A 110 10.996 0.343 10.863 1.00 34.22 H new ATOM 0 HG SER A 110 11.001 2.610 10.325 1.00 21.30 H new