USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 929 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: B 40 THR OG1 : rot -113:sc= 1.34 USER MOD Set 1.2: B 43 LYS NZ :NH3+ -166:sc= 2.4 (180deg=2.18) USER MOD Single : A 26 THR OG1 : rot 23:sc= 0.343 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 30 SER OG : rot 114:sc= 0.945 USER MOD Single : A 33 ASN : amide:sc= -6.79! K(o=-6.8!,f=-1.7) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0196 (180deg=-0.233) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -160:sc= 0.147 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 46 SER OG : rot 180:sc= -2.78! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.203 K(o=-0.2,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 151:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 46:sc= 0.393 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 SER OG : rot -153:sc= -1.18! USER MOD Single : B 35 SER OG : rot -1:sc= -1.1! USER MOD Single : B 38 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.02) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 62:sc= 0.0742 USER MOD Single : B 57 TYR OH : rot -170:sc= 1.26 USER MOD Single : B 60 MET CE :methyl 150:sc= -2.97! (180deg=-3.82!) USER MOD Single : B 63 LYS NZ :NH3+ -167:sc= -0.0327 (180deg=-0.228) USER MOD Single : B 66 GLN : amide:sc= -0.0316 K(o=-0.032,f=-2.4!) USER MOD Single : B 68 ASN : amide:sc= -0.646 K(o=-0.65,f=-8.8!) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -15.680 -7.778 -6.602 1.00 0.00 N ATOM 2 CA THR A 26 -14.307 -7.278 -6.380 1.00 0.00 C ATOM 3 C THR A 26 -14.296 -6.153 -5.340 1.00 0.00 C ATOM 4 O THR A 26 -13.245 -5.789 -4.811 1.00 0.00 O ATOM 5 CB THR A 26 -13.712 -6.761 -7.706 1.00 0.00 C ATOM 6 OG1 THR A 26 -13.996 -7.689 -8.762 1.00 0.00 O ATOM 7 CG2 THR A 26 -12.207 -6.572 -7.599 1.00 0.00 C ATOM 0 HA THR A 26 -13.702 -8.104 -6.006 1.00 0.00 H new ATOM 0 HB THR A 26 -14.169 -5.796 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.780 -8.226 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.818 -6.207 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.986 -5.848 -6.814 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.737 -7.525 -7.356 1.00 0.00 H new ATOM 15 N GLY A 27 -15.475 -5.626 -5.024 1.00 0.00 N ATOM 16 CA GLY A 27 -15.564 -4.462 -4.166 1.00 0.00 C ATOM 17 C GLY A 27 -15.521 -4.783 -2.684 1.00 0.00 C ATOM 18 O GLY A 27 -15.613 -3.878 -1.854 1.00 0.00 O ATOM 0 H GLY A 27 -16.372 -5.987 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.744 -3.784 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -16.490 -3.931 -4.386 1.00 0.00 H new ATOM 22 N SER A 28 -15.403 -6.056 -2.331 1.00 0.00 N ATOM 23 CA SER A 28 -15.320 -6.432 -0.926 1.00 0.00 C ATOM 24 C SER A 28 -14.474 -7.688 -0.720 1.00 0.00 C ATOM 25 O SER A 28 -13.273 -7.602 -0.460 1.00 0.00 O ATOM 26 CB SER A 28 -16.721 -6.628 -0.336 1.00 0.00 C ATOM 27 OG SER A 28 -17.514 -5.460 -0.499 1.00 0.00 O ATOM 0 H SER A 28 -15.363 -6.836 -2.987 1.00 0.00 H new ATOM 0 HA SER A 28 -14.827 -5.615 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.209 -7.473 -0.822 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.642 -6.872 0.723 1.00 0.00 H new ATOM 0 HG SER A 28 -18.403 -5.612 -0.116 1.00 0.00 H new ATOM 33 N LEU A 29 -15.091 -8.853 -0.861 1.00 0.00 N ATOM 34 CA LEU A 29 -14.426 -10.103 -0.537 1.00 0.00 C ATOM 35 C LEU A 29 -14.055 -10.887 -1.789 1.00 0.00 C ATOM 36 O LEU A 29 -14.922 -11.365 -2.520 1.00 0.00 O ATOM 37 CB LEU A 29 -15.319 -10.963 0.364 1.00 0.00 C ATOM 38 CG LEU A 29 -14.733 -12.323 0.754 1.00 0.00 C ATOM 39 CD1 LEU A 29 -13.483 -12.147 1.604 1.00 0.00 C ATOM 40 CD2 LEU A 29 -15.768 -13.159 1.490 1.00 0.00 C ATOM 0 H LEU A 29 -16.049 -8.957 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 29 -13.505 -9.854 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.536 -10.404 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.270 -11.127 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.453 -12.849 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.083 -13.125 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.735 -11.590 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.735 -11.599 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.334 -14.122 1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -16.081 -12.637 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -16.632 -13.318 0.845 1.00 0.00 H new ATOM 52 N SER A 30 -12.762 -10.998 -2.034 1.00 0.00 N ATOM 53 CA SER A 30 -12.259 -11.865 -3.083 1.00 0.00 C ATOM 54 C SER A 30 -11.716 -13.146 -2.457 1.00 0.00 C ATOM 55 O SER A 30 -12.228 -14.237 -2.699 1.00 0.00 O ATOM 56 CB SER A 30 -11.162 -11.155 -3.876 1.00 0.00 C ATOM 57 OG SER A 30 -11.559 -9.839 -4.234 1.00 0.00 O ATOM 0 H SER A 30 -12.039 -10.496 -1.518 1.00 0.00 H new ATOM 0 HA SER A 30 -13.070 -12.113 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.249 -11.114 -3.282 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.932 -11.726 -4.776 1.00 0.00 H new ATOM 0 HG SER A 30 -10.993 -9.188 -3.769 1.00 0.00 H new ATOM 63 N VAL A 31 -10.693 -12.993 -1.625 1.00 0.00 N ATOM 64 CA VAL A 31 -10.100 -14.113 -0.910 1.00 0.00 C ATOM 65 C VAL A 31 -9.316 -13.599 0.299 1.00 0.00 C ATOM 66 O VAL A 31 -8.680 -12.545 0.231 1.00 0.00 O ATOM 67 CB VAL A 31 -9.182 -14.947 -1.834 1.00 0.00 C ATOM 68 CG1 VAL A 31 -8.028 -14.106 -2.355 1.00 0.00 C ATOM 69 CG2 VAL A 31 -8.671 -16.191 -1.118 1.00 0.00 C ATOM 0 H VAL A 31 -10.254 -12.093 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.903 -14.765 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.774 -15.273 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.397 -14.715 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.420 -13.261 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.438 -13.738 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.028 -16.759 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.103 -15.896 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.516 -16.809 -0.815 1.00 0.00 H new ATOM 79 N ASP A 32 -9.369 -14.334 1.402 1.00 0.00 N ATOM 80 CA ASP A 32 -8.782 -13.875 2.658 1.00 0.00 C ATOM 81 C ASP A 32 -7.421 -14.515 2.920 1.00 0.00 C ATOM 82 O ASP A 32 -7.046 -14.754 4.067 1.00 0.00 O ATOM 83 CB ASP A 32 -9.734 -14.154 3.828 1.00 0.00 C ATOM 84 CG ASP A 32 -9.917 -15.635 4.116 1.00 0.00 C ATOM 85 OD1 ASP A 32 -9.995 -16.435 3.157 1.00 0.00 O ATOM 86 OD2 ASP A 32 -10.004 -16.006 5.306 1.00 0.00 O1- ATOM 0 H ASP A 32 -9.812 -15.251 1.454 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.628 -12.799 2.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.353 -13.662 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.706 -13.711 3.610 1.00 0.00 H new ATOM 91 N ASN A 33 -6.677 -14.786 1.854 1.00 0.00 N ATOM 92 CA ASN A 33 -5.315 -15.294 1.995 1.00 0.00 C ATOM 93 C ASN A 33 -4.394 -14.189 2.488 1.00 0.00 C ATOM 94 O ASN A 33 -3.366 -14.436 3.116 1.00 0.00 O ATOM 95 CB ASN A 33 -4.793 -15.891 0.679 1.00 0.00 C ATOM 96 CG ASN A 33 -5.085 -15.068 -0.572 1.00 0.00 C ATOM 97 OD1 ASN A 33 -5.383 -15.627 -1.625 1.00 0.00 O ATOM 98 ND2 ASN A 33 -4.958 -13.753 -0.494 1.00 0.00 N ATOM 0 H ASN A 33 -6.989 -14.664 0.890 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.330 -16.097 2.732 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.714 -16.024 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.228 -16.882 0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.109 -13.176 -1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.710 -13.316 0.394 1.00 0.00 H new ATOM 105 N LYS A 34 -4.783 -12.972 2.173 1.00 0.00 N ATOM 106 CA LYS A 34 -4.108 -11.778 2.654 1.00 0.00 C ATOM 107 C LYS A 34 -5.102 -10.908 3.412 1.00 0.00 C ATOM 108 O LYS A 34 -6.307 -11.156 3.371 1.00 0.00 O ATOM 109 CB LYS A 34 -3.528 -10.986 1.482 1.00 0.00 C ATOM 110 CG LYS A 34 -2.573 -11.775 0.609 1.00 0.00 C ATOM 111 CD LYS A 34 -1.284 -12.091 1.337 1.00 0.00 C ATOM 112 CE LYS A 34 -0.503 -13.162 0.609 1.00 0.00 C ATOM 113 NZ LYS A 34 0.796 -13.448 1.272 1.00 0.00 N1+ ATOM 0 H LYS A 34 -5.583 -12.778 1.571 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.294 -12.074 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.348 -10.620 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.007 -10.111 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.050 -12.703 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.351 -11.207 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.679 -11.188 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.506 -12.423 2.351 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.096 -14.075 0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.324 -12.846 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.301 -14.187 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.373 -12.583 1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.625 -13.774 2.245 1.00 0.00 H new ATOM 127 N LYS A 35 -4.600 -9.888 4.089 1.00 0.00 N ATOM 128 CA LYS A 35 -5.452 -8.954 4.807 1.00 0.00 C ATOM 129 C LYS A 35 -4.890 -7.542 4.692 1.00 0.00 C ATOM 130 O LYS A 35 -3.708 -7.307 4.943 1.00 0.00 O ATOM 131 CB LYS A 35 -5.598 -9.367 6.278 1.00 0.00 C ATOM 132 CG LYS A 35 -4.287 -9.395 7.052 1.00 0.00 C ATOM 133 CD LYS A 35 -4.493 -9.841 8.490 1.00 0.00 C ATOM 134 CE LYS A 35 -4.877 -11.311 8.575 1.00 0.00 C ATOM 135 NZ LYS A 35 -3.781 -12.201 8.106 1.00 0.00 N1+ ATOM 0 H LYS A 35 -3.603 -9.685 4.156 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.445 -8.971 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.283 -8.677 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.054 -10.356 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.587 -10.069 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.836 -8.403 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.579 -9.671 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.272 -9.234 8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.131 -11.560 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.770 -11.488 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.964 -13.174 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.737 -12.179 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.875 -11.873 8.498 1.00 0.00 H new ATOM 149 N PHE A 36 -5.729 -6.612 4.269 1.00 0.00 N ATOM 150 CA PHE A 36 -5.311 -5.230 4.097 1.00 0.00 C ATOM 151 C PHE A 36 -6.340 -4.311 4.726 1.00 0.00 C ATOM 152 O PHE A 36 -7.511 -4.355 4.365 1.00 0.00 O ATOM 153 CB PHE A 36 -5.167 -4.898 2.607 1.00 0.00 C ATOM 154 CG PHE A 36 -4.439 -5.954 1.821 1.00 0.00 C ATOM 155 CD1 PHE A 36 -5.132 -7.006 1.245 1.00 0.00 C ATOM 156 CD2 PHE A 36 -3.066 -5.901 1.670 1.00 0.00 C ATOM 157 CE1 PHE A 36 -4.468 -7.982 0.532 1.00 0.00 C ATOM 158 CE2 PHE A 36 -2.395 -6.877 0.959 1.00 0.00 C ATOM 159 CZ PHE A 36 -3.096 -7.918 0.390 1.00 0.00 C ATOM 0 H PHE A 36 -6.707 -6.789 4.038 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.345 -5.088 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.159 -4.757 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.637 -3.951 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.205 -7.063 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.511 -5.087 2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.020 -8.795 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.322 -6.824 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.573 -8.682 -0.166 1.00 0.00 H new ATOM 169 N TRP A 37 -5.918 -3.490 5.669 1.00 0.00 N ATOM 170 CA TRP A 37 -6.845 -2.601 6.352 1.00 0.00 C ATOM 171 C TRP A 37 -6.792 -1.209 5.746 1.00 0.00 C ATOM 172 O TRP A 37 -5.829 -0.469 5.948 1.00 0.00 O ATOM 173 CB TRP A 37 -6.531 -2.550 7.847 1.00 0.00 C ATOM 174 CG TRP A 37 -6.537 -3.904 8.488 1.00 0.00 C ATOM 175 CD1 TRP A 37 -5.451 -4.622 8.898 1.00 0.00 C ATOM 176 CD2 TRP A 37 -7.686 -4.708 8.777 1.00 0.00 C ATOM 177 NE1 TRP A 37 -5.854 -5.823 9.426 1.00 0.00 N ATOM 178 CE2 TRP A 37 -7.221 -5.900 9.365 1.00 0.00 C ATOM 179 CE3 TRP A 37 -9.063 -4.538 8.600 1.00 0.00 C ATOM 180 CZ2 TRP A 37 -8.082 -6.912 9.773 1.00 0.00 C ATOM 181 CZ3 TRP A 37 -9.916 -5.546 9.006 1.00 0.00 C ATOM 182 CH2 TRP A 37 -9.423 -6.719 9.587 1.00 0.00 C ATOM 0 H TRP A 37 -4.949 -3.418 5.979 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.855 -2.991 6.226 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.554 -2.088 7.993 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.262 -1.914 8.346 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.425 -4.293 8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.236 -6.542 9.803 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -9.452 -3.635 8.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.705 -7.819 10.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -10.981 -5.426 8.873 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -10.116 -7.488 9.895 1.00 0.00 H new ATOM 193 N ALA A 38 -7.821 -0.866 4.988 1.00 0.00 N ATOM 194 CA ALA A 38 -7.893 0.427 4.328 1.00 0.00 C ATOM 195 C ALA A 38 -8.783 1.383 5.102 1.00 0.00 C ATOM 196 O ALA A 38 -9.984 1.154 5.233 1.00 0.00 O ATOM 197 CB ALA A 38 -8.423 0.263 2.910 1.00 0.00 C ATOM 0 H ALA A 38 -8.624 -1.471 4.814 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.887 0.845 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.473 1.238 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.757 -0.389 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.420 -0.177 2.943 1.00 0.00 H new ATOM 203 N THR A 39 -8.202 2.446 5.629 1.00 0.00 N ATOM 204 CA THR A 39 -8.995 3.493 6.231 1.00 0.00 C ATOM 205 C THR A 39 -9.421 4.471 5.144 1.00 0.00 C ATOM 206 O THR A 39 -8.586 5.084 4.472 1.00 0.00 O ATOM 207 CB THR A 39 -8.256 4.226 7.380 1.00 0.00 C ATOM 208 OG1 THR A 39 -9.080 5.281 7.896 1.00 0.00 O ATOM 209 CG2 THR A 39 -6.921 4.801 6.930 1.00 0.00 C ATOM 0 H THR A 39 -7.194 2.603 5.651 1.00 0.00 H new ATOM 0 HA THR A 39 -9.872 3.034 6.689 1.00 0.00 H new ATOM 0 HB THR A 39 -8.056 3.490 8.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.608 5.739 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.441 5.305 7.769 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.279 3.995 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.086 5.516 6.124 1.00 0.00 H new ATOM 217 N VAL A 40 -10.722 4.563 4.933 1.00 0.00 N ATOM 218 CA VAL A 40 -11.267 5.403 3.884 1.00 0.00 C ATOM 219 C VAL A 40 -12.057 6.552 4.489 1.00 0.00 C ATOM 220 O VAL A 40 -12.547 6.451 5.616 1.00 0.00 O ATOM 221 CB VAL A 40 -12.182 4.600 2.929 1.00 0.00 C ATOM 222 CG1 VAL A 40 -11.449 3.404 2.339 1.00 0.00 C ATOM 223 CG2 VAL A 40 -13.440 4.142 3.645 1.00 0.00 C ATOM 0 H VAL A 40 -11.424 4.063 5.479 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.428 5.794 3.309 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.467 5.263 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.118 2.860 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.581 3.750 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.123 2.744 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.068 3.580 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.168 3.506 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.989 5.011 4.008 1.00 0.00 H new ATOM 233 N GLU A 41 -12.171 7.639 3.751 1.00 0.00 N ATOM 234 CA GLU A 41 -12.938 8.780 4.205 1.00 0.00 C ATOM 235 C GLU A 41 -13.841 9.283 3.089 1.00 0.00 C ATOM 236 O GLU A 41 -13.374 9.846 2.099 1.00 0.00 O ATOM 237 CB GLU A 41 -12.008 9.893 4.686 1.00 0.00 C ATOM 238 CG GLU A 41 -12.744 11.041 5.353 1.00 0.00 C ATOM 239 CD GLU A 41 -11.810 12.070 5.950 1.00 0.00 C ATOM 240 OE1 GLU A 41 -11.405 11.907 7.124 1.00 0.00 O ATOM 241 OE2 GLU A 41 -11.479 13.049 5.253 1.00 0.00 O1- ATOM 0 H GLU A 41 -11.741 7.755 2.833 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.562 8.470 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.286 9.476 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.442 10.277 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.391 11.525 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.390 10.646 6.137 1.00 0.00 H new ATOM 248 N SER A 42 -15.133 9.055 3.242 1.00 0.00 N ATOM 249 CA SER A 42 -16.107 9.508 2.267 1.00 0.00 C ATOM 250 C SER A 42 -16.833 10.739 2.795 1.00 0.00 C ATOM 251 O SER A 42 -16.486 11.256 3.859 1.00 0.00 O ATOM 252 CB SER A 42 -17.107 8.388 1.975 1.00 0.00 C ATOM 253 OG SER A 42 -17.771 7.983 3.161 1.00 0.00 O ATOM 0 H SER A 42 -15.533 8.556 4.037 1.00 0.00 H new ATOM 0 HA SER A 42 -15.594 9.772 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.838 8.729 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.588 7.537 1.535 1.00 0.00 H new ATOM 0 HG SER A 42 -18.153 7.089 3.033 1.00 0.00 H new ATOM 259 N SER A 43 -17.834 11.209 2.065 1.00 0.00 N ATOM 260 CA SER A 43 -18.683 12.279 2.561 1.00 0.00 C ATOM 261 C SER A 43 -19.586 11.736 3.667 1.00 0.00 C ATOM 262 O SER A 43 -20.100 12.484 4.500 1.00 0.00 O ATOM 263 CB SER A 43 -19.524 12.852 1.421 1.00 0.00 C ATOM 264 OG SER A 43 -18.712 13.192 0.305 1.00 0.00 O ATOM 0 H SER A 43 -18.076 10.869 1.134 1.00 0.00 H new ATOM 0 HA SER A 43 -18.062 13.078 2.966 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.276 12.123 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.058 13.736 1.768 1.00 0.00 H new ATOM 0 HG SER A 43 -19.275 13.555 -0.411 1.00 0.00 H new ATOM 270 N GLU A 44 -19.752 10.418 3.672 1.00 0.00 N ATOM 271 CA GLU A 44 -20.605 9.748 4.638 1.00 0.00 C ATOM 272 C GLU A 44 -19.893 9.588 5.980 1.00 0.00 C ATOM 273 O GLU A 44 -20.372 10.076 7.004 1.00 0.00 O ATOM 274 CB GLU A 44 -21.030 8.379 4.097 1.00 0.00 C ATOM 275 CG GLU A 44 -21.866 7.563 5.069 1.00 0.00 C ATOM 276 CD GLU A 44 -22.263 6.216 4.504 1.00 0.00 C ATOM 277 OE1 GLU A 44 -21.397 5.321 4.421 1.00 0.00 O ATOM 278 OE2 GLU A 44 -23.446 6.040 4.150 1.00 0.00 O1- ATOM 0 H GLU A 44 -19.300 9.789 3.008 1.00 0.00 H new ATOM 0 HA GLU A 44 -21.492 10.362 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.598 8.523 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -20.138 7.810 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -21.304 7.415 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -22.764 8.123 5.330 1.00 0.00 H new ATOM 285 N HIS A 45 -18.750 8.911 5.973 1.00 0.00 N ATOM 286 CA HIS A 45 -18.034 8.627 7.212 1.00 0.00 C ATOM 287 C HIS A 45 -16.628 8.118 6.911 1.00 0.00 C ATOM 288 O HIS A 45 -16.369 7.597 5.826 1.00 0.00 O ATOM 289 CB HIS A 45 -18.812 7.579 8.023 1.00 0.00 C ATOM 290 CG HIS A 45 -18.387 7.470 9.455 1.00 0.00 C ATOM 291 ND1 HIS A 45 -17.862 6.320 10.005 1.00 0.00 N ATOM 292 CD2 HIS A 45 -18.428 8.377 10.459 1.00 0.00 C ATOM 293 CE1 HIS A 45 -17.598 6.527 11.282 1.00 0.00 C ATOM 294 NE2 HIS A 45 -17.931 7.765 11.582 1.00 0.00 N ATOM 0 H HIS A 45 -18.302 8.551 5.130 1.00 0.00 H new ATOM 0 HA HIS A 45 -17.950 9.546 7.793 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -19.873 7.824 7.989 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -18.694 6.606 7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -18.786 9.394 10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.179 5.803 11.965 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.835 8.199 12.500 1.00 0.00 H new ATOM 303 N SER A 46 -15.717 8.298 7.857 1.00 0.00 N ATOM 304 CA SER A 46 -14.388 7.720 7.757 1.00 0.00 C ATOM 305 C SER A 46 -14.360 6.409 8.534 1.00 0.00 C ATOM 306 O SER A 46 -14.754 6.375 9.701 1.00 0.00 O ATOM 307 CB SER A 46 -13.349 8.685 8.327 1.00 0.00 C ATOM 308 OG SER A 46 -13.666 10.025 8.000 1.00 0.00 O ATOM 0 H SER A 46 -15.877 8.842 8.705 1.00 0.00 H new ATOM 0 HA SER A 46 -14.150 7.534 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.300 8.573 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.363 8.435 7.936 1.00 0.00 H new ATOM 0 HG SER A 46 -12.987 10.623 8.377 1.00 0.00 H new ATOM 314 N PHE A 47 -13.916 5.335 7.902 1.00 0.00 N ATOM 315 CA PHE A 47 -13.937 4.027 8.545 1.00 0.00 C ATOM 316 C PHE A 47 -12.903 3.085 7.942 1.00 0.00 C ATOM 317 O PHE A 47 -12.344 3.350 6.878 1.00 0.00 O ATOM 318 CB PHE A 47 -15.337 3.408 8.454 1.00 0.00 C ATOM 319 CG PHE A 47 -15.923 3.382 7.067 1.00 0.00 C ATOM 320 CD1 PHE A 47 -15.660 2.332 6.203 1.00 0.00 C ATOM 321 CD2 PHE A 47 -16.752 4.406 6.638 1.00 0.00 C ATOM 322 CE1 PHE A 47 -16.211 2.306 4.936 1.00 0.00 C ATOM 323 CE2 PHE A 47 -17.303 4.387 5.373 1.00 0.00 C ATOM 324 CZ PHE A 47 -17.033 3.337 4.520 1.00 0.00 C ATOM 0 H PHE A 47 -13.540 5.339 6.954 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.680 4.173 9.594 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.294 2.388 8.835 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -16.009 3.964 9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.017 1.525 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.970 5.229 7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -16.000 1.481 4.271 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -17.945 5.194 5.051 1.00 0.00 H new ATOM 0 HZ PHE A 47 -17.463 3.320 3.529 1.00 0.00 H new ATOM 334 N GLU A 48 -12.659 1.985 8.645 1.00 0.00 N ATOM 335 CA GLU A 48 -11.689 0.986 8.221 1.00 0.00 C ATOM 336 C GLU A 48 -12.389 -0.169 7.520 1.00 0.00 C ATOM 337 O GLU A 48 -13.281 -0.805 8.089 1.00 0.00 O ATOM 338 CB GLU A 48 -10.919 0.459 9.431 1.00 0.00 C ATOM 339 CG GLU A 48 -10.171 1.534 10.199 1.00 0.00 C ATOM 340 CD GLU A 48 -9.687 1.046 11.548 1.00 0.00 C ATOM 341 OE1 GLU A 48 -8.596 0.447 11.613 1.00 0.00 O1- ATOM 342 OE2 GLU A 48 -10.405 1.257 12.552 1.00 0.00 O ATOM 0 H GLU A 48 -13.128 1.762 9.523 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.993 1.453 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.617 -0.037 10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.208 -0.296 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.318 1.871 9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.822 2.397 10.340 1.00 0.00 H new ATOM 349 N VAL A 49 -11.987 -0.431 6.290 1.00 0.00 N ATOM 350 CA VAL A 49 -12.545 -1.521 5.511 1.00 0.00 C ATOM 351 C VAL A 49 -11.420 -2.397 4.947 1.00 0.00 C ATOM 352 O VAL A 49 -10.460 -1.892 4.364 1.00 0.00 O ATOM 353 CB VAL A 49 -13.449 -0.982 4.374 1.00 0.00 C ATOM 354 CG1 VAL A 49 -12.703 0.019 3.505 1.00 0.00 C ATOM 355 CG2 VAL A 49 -14.005 -2.118 3.529 1.00 0.00 C ATOM 0 H VAL A 49 -11.267 0.104 5.804 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.165 -2.133 6.166 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.288 -0.465 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.363 0.379 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -12.376 0.860 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.834 -0.464 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -14.635 -1.709 2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -13.182 -2.677 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.597 -2.783 4.158 1.00 0.00 H new ATOM 365 N PRO A 50 -11.500 -3.718 5.162 1.00 0.00 N ATOM 366 CA PRO A 50 -10.479 -4.655 4.690 1.00 0.00 C ATOM 367 C PRO A 50 -10.543 -4.901 3.182 1.00 0.00 C ATOM 368 O PRO A 50 -11.623 -4.968 2.594 1.00 0.00 O ATOM 369 CB PRO A 50 -10.795 -5.938 5.457 1.00 0.00 C ATOM 370 CG PRO A 50 -12.255 -5.861 5.745 1.00 0.00 C ATOM 371 CD PRO A 50 -12.581 -4.400 5.900 1.00 0.00 C ATOM 0 HA PRO A 50 -9.473 -4.272 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.555 -6.822 4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.213 -6.002 6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.834 -6.304 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.501 -6.412 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.560 -4.162 5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.599 -4.103 6.949 1.00 0.00 H new ATOM 379 N ILE A 51 -9.377 -5.043 2.570 1.00 0.00 N ATOM 380 CA ILE A 51 -9.278 -5.337 1.148 1.00 0.00 C ATOM 381 C ILE A 51 -8.889 -6.797 0.979 1.00 0.00 C ATOM 382 O ILE A 51 -8.131 -7.334 1.789 1.00 0.00 O ATOM 383 CB ILE A 51 -8.205 -4.469 0.447 1.00 0.00 C ATOM 384 CG1 ILE A 51 -8.241 -3.020 0.950 1.00 0.00 C ATOM 385 CG2 ILE A 51 -8.395 -4.509 -1.066 1.00 0.00 C ATOM 386 CD1 ILE A 51 -9.512 -2.278 0.608 1.00 0.00 C ATOM 0 H ILE A 51 -8.477 -4.958 3.042 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.245 -5.120 0.695 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.228 -4.884 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.113 -3.020 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.393 -2.480 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.633 -3.894 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.305 -5.537 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.383 -4.125 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.457 -1.262 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.633 -2.244 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.364 -2.792 1.052 1.00 0.00 H new ATOM 398 N TYR A 52 -9.405 -7.443 -0.053 1.00 0.00 N ATOM 399 CA TYR A 52 -9.112 -8.848 -0.280 1.00 0.00 C ATOM 400 C TYR A 52 -8.755 -9.100 -1.737 1.00 0.00 C ATOM 401 O TYR A 52 -9.557 -8.838 -2.635 1.00 0.00 O ATOM 402 CB TYR A 52 -10.301 -9.715 0.140 1.00 0.00 C ATOM 403 CG TYR A 52 -10.570 -9.680 1.630 1.00 0.00 C ATOM 404 CD1 TYR A 52 -9.771 -10.397 2.508 1.00 0.00 C ATOM 405 CD2 TYR A 52 -11.609 -8.921 2.157 1.00 0.00 C ATOM 406 CE1 TYR A 52 -9.997 -10.364 3.869 1.00 0.00 C ATOM 407 CE2 TYR A 52 -11.840 -8.882 3.519 1.00 0.00 C ATOM 408 CZ TYR A 52 -11.031 -9.605 4.369 1.00 0.00 C ATOM 409 OH TYR A 52 -11.253 -9.568 5.728 1.00 0.00 O ATOM 0 H TYR A 52 -10.025 -7.020 -0.743 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.251 -9.120 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -11.192 -9.380 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.117 -10.745 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.957 -10.992 2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.244 -8.354 1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.366 -10.930 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.650 -8.288 3.915 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.018 -8.987 5.919 1.00 0.00 H new ATOM 419 N ALA A 53 -7.543 -9.594 -1.959 1.00 0.00 N ATOM 420 CA ALA A 53 -7.064 -9.916 -3.298 1.00 0.00 C ATOM 421 C ALA A 53 -6.004 -11.009 -3.235 1.00 0.00 C ATOM 422 O ALA A 53 -5.684 -11.500 -2.149 1.00 0.00 O ATOM 423 CB ALA A 53 -6.503 -8.684 -3.989 1.00 0.00 C ATOM 0 H ALA A 53 -6.867 -9.782 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.912 -10.278 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.153 -8.953 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.282 -7.926 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.671 -8.288 -3.407 1.00 0.00 H new ATOM 429 N GLU A 54 -5.464 -11.385 -4.386 1.00 0.00 N ATOM 430 CA GLU A 54 -4.448 -12.429 -4.449 1.00 0.00 C ATOM 431 C GLU A 54 -3.145 -11.967 -3.799 1.00 0.00 C ATOM 432 O GLU A 54 -2.647 -12.590 -2.860 1.00 0.00 O ATOM 433 CB GLU A 54 -4.180 -12.826 -5.902 1.00 0.00 C ATOM 434 CG GLU A 54 -5.396 -13.383 -6.625 1.00 0.00 C ATOM 435 CD GLU A 54 -5.885 -14.687 -6.031 1.00 0.00 C ATOM 436 OE1 GLU A 54 -5.140 -15.684 -6.079 1.00 0.00 O ATOM 437 OE2 GLU A 54 -7.025 -14.727 -5.526 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.712 -10.983 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.825 -13.293 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.815 -11.954 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.384 -13.571 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.201 -12.649 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.149 -13.537 -7.675 1.00 0.00 H new ATOM 444 N THR A 55 -2.611 -10.854 -4.287 1.00 0.00 N ATOM 445 CA THR A 55 -1.294 -10.396 -3.872 1.00 0.00 C ATOM 446 C THR A 55 -1.305 -8.894 -3.570 1.00 0.00 C ATOM 447 O THR A 55 -2.263 -8.197 -3.915 1.00 0.00 O ATOM 448 CB THR A 55 -0.251 -10.710 -4.973 1.00 0.00 C ATOM 449 OG1 THR A 55 -0.433 -12.054 -5.435 1.00 0.00 O ATOM 450 CG2 THR A 55 1.179 -10.556 -4.467 1.00 0.00 C ATOM 0 H THR A 55 -3.071 -10.253 -4.971 1.00 0.00 H new ATOM 0 HA THR A 55 -1.021 -10.925 -2.959 1.00 0.00 H new ATOM 0 HB THR A 55 -0.406 -9.997 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.226 -12.252 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.877 -10.786 -5.272 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.338 -9.531 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.346 -11.240 -3.635 1.00 0.00 H new ATOM 458 N LEU A 56 -0.247 -8.420 -2.910 1.00 0.00 N ATOM 459 CA LEU A 56 -0.097 -7.015 -2.522 1.00 0.00 C ATOM 460 C LEU A 56 -0.446 -6.054 -3.659 1.00 0.00 C ATOM 461 O LEU A 56 -1.342 -5.223 -3.517 1.00 0.00 O ATOM 462 CB LEU A 56 1.347 -6.759 -2.063 1.00 0.00 C ATOM 463 CG LEU A 56 1.639 -6.987 -0.574 1.00 0.00 C ATOM 464 CD1 LEU A 56 1.005 -5.891 0.260 1.00 0.00 C ATOM 465 CD2 LEU A 56 1.155 -8.358 -0.117 1.00 0.00 C ATOM 0 H LEU A 56 0.538 -9.006 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.796 -6.827 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.009 -7.401 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.606 -5.729 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 56 2.719 -6.954 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.220 -6.065 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.412 -4.925 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.074 -5.894 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.377 -8.488 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.079 -8.435 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.662 -9.133 -0.692 1.00 0.00 H new ATOM 477 N ASP A 57 0.257 -6.184 -4.781 1.00 0.00 N ATOM 478 CA ASP A 57 0.100 -5.276 -5.919 1.00 0.00 C ATOM 479 C ASP A 57 -1.353 -5.181 -6.380 1.00 0.00 C ATOM 480 O ASP A 57 -1.836 -4.090 -6.694 1.00 0.00 O ATOM 481 CB ASP A 57 0.985 -5.718 -7.093 1.00 0.00 C ATOM 482 CG ASP A 57 0.547 -7.034 -7.708 1.00 0.00 C ATOM 483 OD1 ASP A 57 0.945 -8.099 -7.192 1.00 0.00 O1- ATOM 484 OD2 ASP A 57 -0.203 -7.010 -8.708 1.00 0.00 O ATOM 0 H ASP A 57 0.950 -6.918 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 57 0.413 -4.288 -5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.973 -4.944 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.015 -5.810 -6.749 1.00 0.00 H new ATOM 489 N GLU A 58 -2.042 -6.314 -6.408 1.00 0.00 N ATOM 490 CA GLU A 58 -3.426 -6.355 -6.853 1.00 0.00 C ATOM 491 C GLU A 58 -4.333 -5.711 -5.818 1.00 0.00 C ATOM 492 O GLU A 58 -5.205 -4.908 -6.151 1.00 0.00 O ATOM 493 CB GLU A 58 -3.862 -7.798 -7.114 1.00 0.00 C ATOM 494 CG GLU A 58 -5.304 -7.919 -7.574 1.00 0.00 C ATOM 495 CD GLU A 58 -5.687 -9.339 -7.917 1.00 0.00 C ATOM 496 OE1 GLU A 58 -5.942 -10.130 -6.985 1.00 0.00 O1- ATOM 497 OE2 GLU A 58 -5.738 -9.669 -9.122 1.00 0.00 O ATOM 0 H GLU A 58 -1.663 -7.218 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.505 -5.795 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.210 -8.236 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.729 -8.380 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.964 -7.548 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.458 -7.284 -8.447 1.00 0.00 H new ATOM 504 N ALA A 59 -4.110 -6.059 -4.559 1.00 0.00 N ATOM 505 CA ALA A 59 -4.884 -5.503 -3.463 1.00 0.00 C ATOM 506 C ALA A 59 -4.720 -3.997 -3.404 1.00 0.00 C ATOM 507 O ALA A 59 -5.676 -3.271 -3.158 1.00 0.00 O ATOM 508 CB ALA A 59 -4.458 -6.123 -2.149 1.00 0.00 C ATOM 0 H ALA A 59 -3.395 -6.728 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.935 -5.732 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.047 -5.696 -1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.619 -7.200 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.401 -5.919 -1.976 1.00 0.00 H new ATOM 514 N LEU A 60 -3.498 -3.541 -3.639 1.00 0.00 N ATOM 515 CA LEU A 60 -3.194 -2.121 -3.668 1.00 0.00 C ATOM 516 C LEU A 60 -3.992 -1.420 -4.762 1.00 0.00 C ATOM 517 O LEU A 60 -4.528 -0.332 -4.549 1.00 0.00 O ATOM 518 CB LEU A 60 -1.693 -1.918 -3.881 1.00 0.00 C ATOM 519 CG LEU A 60 -1.242 -0.473 -4.098 1.00 0.00 C ATOM 520 CD1 LEU A 60 -1.710 0.422 -2.962 1.00 0.00 C ATOM 521 CD2 LEU A 60 0.270 -0.415 -4.231 1.00 0.00 C ATOM 0 H LEU A 60 -2.694 -4.143 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.478 -1.681 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.165 -2.318 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.384 -2.509 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.694 -0.107 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.375 1.444 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.798 0.401 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.292 0.064 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.582 0.618 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.730 -0.801 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.584 -1.020 -5.082 1.00 0.00 H new ATOM 533 N GLU A 61 -4.078 -2.052 -5.927 1.00 0.00 N ATOM 534 CA GLU A 61 -4.846 -1.495 -7.029 1.00 0.00 C ATOM 535 C GLU A 61 -6.323 -1.449 -6.673 1.00 0.00 C ATOM 536 O GLU A 61 -6.960 -0.410 -6.783 1.00 0.00 O ATOM 537 CB GLU A 61 -4.647 -2.310 -8.309 1.00 0.00 C ATOM 538 CG GLU A 61 -3.229 -2.260 -8.845 1.00 0.00 C ATOM 539 CD GLU A 61 -3.077 -2.990 -10.164 1.00 0.00 C ATOM 540 OE1 GLU A 61 -2.900 -4.225 -10.152 1.00 0.00 O ATOM 541 OE2 GLU A 61 -3.121 -2.326 -11.219 1.00 0.00 O1- ATOM 0 H GLU A 61 -3.628 -2.944 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.487 -0.481 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.917 -3.348 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.329 -1.941 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.930 -1.220 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.552 -2.698 -8.112 1.00 0.00 H new ATOM 548 N LEU A 62 -6.850 -2.576 -6.218 1.00 0.00 N ATOM 549 CA LEU A 62 -8.269 -2.683 -5.913 1.00 0.00 C ATOM 550 C LEU A 62 -8.652 -1.812 -4.720 1.00 0.00 C ATOM 551 O LEU A 62 -9.756 -1.280 -4.670 1.00 0.00 O ATOM 552 CB LEU A 62 -8.653 -4.141 -5.646 1.00 0.00 C ATOM 553 CG LEU A 62 -8.320 -5.120 -6.775 1.00 0.00 C ATOM 554 CD1 LEU A 62 -8.755 -6.528 -6.405 1.00 0.00 C ATOM 555 CD2 LEU A 62 -8.973 -4.681 -8.080 1.00 0.00 C ATOM 0 H LEU A 62 -6.316 -3.429 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.820 -2.324 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.148 -4.473 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.724 -4.188 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.240 -5.121 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.510 -7.210 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.236 -6.843 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.831 -6.542 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.723 -5.391 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.055 -4.647 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.609 -3.691 -8.354 1.00 0.00 H new ATOM 567 N ALA A 63 -7.741 -1.659 -3.769 1.00 0.00 N ATOM 568 CA ALA A 63 -8.007 -0.851 -2.585 1.00 0.00 C ATOM 569 C ALA A 63 -8.459 0.547 -2.973 1.00 0.00 C ATOM 570 O ALA A 63 -9.499 1.016 -2.525 1.00 0.00 O ATOM 571 CB ALA A 63 -6.783 -0.783 -1.684 1.00 0.00 C ATOM 0 H ALA A 63 -6.813 -2.082 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.813 -1.331 -2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.009 -0.174 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.509 -1.789 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.953 -0.337 -2.231 1.00 0.00 H new ATOM 577 N GLU A 64 -7.679 1.211 -3.810 1.00 0.00 N ATOM 578 CA GLU A 64 -8.060 2.524 -4.294 1.00 0.00 C ATOM 579 C GLU A 64 -9.040 2.408 -5.459 1.00 0.00 C ATOM 580 O GLU A 64 -10.186 2.845 -5.367 1.00 0.00 O ATOM 581 CB GLU A 64 -6.830 3.334 -4.716 1.00 0.00 C ATOM 582 CG GLU A 64 -7.167 4.753 -5.138 1.00 0.00 C ATOM 583 CD GLU A 64 -5.952 5.651 -5.256 1.00 0.00 C ATOM 584 OE1 GLU A 64 -5.197 5.515 -6.242 1.00 0.00 O ATOM 585 OE2 GLU A 64 -5.774 6.534 -4.385 1.00 0.00 O1- ATOM 0 H GLU A 64 -6.787 0.865 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.552 3.050 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.122 3.366 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.332 2.824 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.684 4.726 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.859 5.184 -4.415 1.00 0.00 H new ATOM 592 N TRP A 65 -8.594 1.759 -6.526 1.00 0.00 N ATOM 593 CA TRP A 65 -9.281 1.801 -7.812 1.00 0.00 C ATOM 594 C TRP A 65 -10.673 1.167 -7.763 1.00 0.00 C ATOM 595 O TRP A 65 -11.568 1.579 -8.496 1.00 0.00 O ATOM 596 CB TRP A 65 -8.428 1.104 -8.873 1.00 0.00 C ATOM 597 CG TRP A 65 -8.533 1.732 -10.224 1.00 0.00 C ATOM 598 CD1 TRP A 65 -7.873 2.843 -10.654 1.00 0.00 C ATOM 599 CD2 TRP A 65 -9.339 1.291 -11.321 1.00 0.00 C ATOM 600 NE1 TRP A 65 -8.223 3.126 -11.951 1.00 0.00 N ATOM 601 CE2 TRP A 65 -9.122 2.188 -12.382 1.00 0.00 C ATOM 602 CE3 TRP A 65 -10.222 0.226 -11.507 1.00 0.00 C ATOM 603 CZ2 TRP A 65 -9.759 2.051 -13.612 1.00 0.00 C ATOM 604 CZ3 TRP A 65 -10.854 0.092 -12.727 1.00 0.00 C ATOM 605 CH2 TRP A 65 -10.620 1.000 -13.766 1.00 0.00 C ATOM 0 H TRP A 65 -7.748 1.189 -6.526 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.420 2.851 -8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.385 1.115 -8.555 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.729 0.059 -8.942 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.176 3.417 -10.061 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.871 3.908 -12.503 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -10.407 -0.480 -10.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.580 2.750 -14.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -11.540 -0.727 -12.882 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -11.130 0.868 -14.709 1.00 0.00 H new ATOM 616 N GLN A 66 -10.856 0.160 -6.925 1.00 0.00 N ATOM 617 CA GLN A 66 -12.151 -0.508 -6.822 1.00 0.00 C ATOM 618 C GLN A 66 -13.082 0.229 -5.855 1.00 0.00 C ATOM 619 O GLN A 66 -14.307 0.151 -5.970 1.00 0.00 O ATOM 620 CB GLN A 66 -11.964 -1.962 -6.393 1.00 0.00 C ATOM 621 CG GLN A 66 -13.249 -2.772 -6.327 1.00 0.00 C ATOM 622 CD GLN A 66 -13.999 -2.801 -7.644 1.00 0.00 C ATOM 623 OE1 GLN A 66 -13.752 -3.654 -8.498 1.00 0.00 O ATOM 624 NE2 GLN A 66 -14.931 -1.879 -7.812 1.00 0.00 N ATOM 0 H GLN A 66 -10.134 -0.213 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 66 -12.620 -0.492 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.279 -2.447 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.488 -1.980 -5.413 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.013 -3.793 -6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.896 -2.354 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.105 -1.190 -7.080 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -15.477 -1.856 -8.674 1.00 0.00 H new ATOM 633 N TYR A 67 -12.500 0.959 -4.915 1.00 0.00 N ATOM 634 CA TYR A 67 -13.280 1.593 -3.859 1.00 0.00 C ATOM 635 C TYR A 67 -13.684 3.023 -4.210 1.00 0.00 C ATOM 636 O TYR A 67 -14.828 3.421 -3.983 1.00 0.00 O ATOM 637 CB TYR A 67 -12.503 1.574 -2.539 1.00 0.00 C ATOM 638 CG TYR A 67 -12.560 0.242 -1.819 1.00 0.00 C ATOM 639 CD1 TYR A 67 -12.300 -0.950 -2.485 1.00 0.00 C ATOM 640 CD2 TYR A 67 -12.887 0.181 -0.473 1.00 0.00 C ATOM 641 CE1 TYR A 67 -12.370 -2.163 -1.830 1.00 0.00 C ATOM 642 CE2 TYR A 67 -12.951 -1.028 0.190 1.00 0.00 C ATOM 643 CZ TYR A 67 -12.694 -2.197 -0.493 1.00 0.00 C ATOM 644 OH TYR A 67 -12.775 -3.404 0.164 1.00 0.00 O ATOM 0 H TYR A 67 -11.495 1.127 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.198 1.015 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.461 1.826 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.899 2.349 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.039 -0.927 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.095 1.094 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.172 -3.081 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.202 -1.058 1.240 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.545 -3.278 1.108 1.00 0.00 H new ATOM 654 N VAL A 68 -12.761 3.785 -4.786 1.00 0.00 N ATOM 655 CA VAL A 68 -12.994 5.210 -5.018 1.00 0.00 C ATOM 656 C VAL A 68 -14.164 5.515 -5.981 1.00 0.00 C ATOM 657 O VAL A 68 -14.902 6.471 -5.737 1.00 0.00 O ATOM 658 CB VAL A 68 -11.712 5.961 -5.462 1.00 0.00 C ATOM 659 CG1 VAL A 68 -10.663 5.899 -4.362 1.00 0.00 C ATOM 660 CG2 VAL A 68 -11.144 5.416 -6.763 1.00 0.00 C ATOM 0 H VAL A 68 -11.851 3.446 -5.099 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.292 5.591 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.990 6.999 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.767 6.429 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.056 6.365 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.414 4.858 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.247 5.975 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.891 4.363 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.886 5.519 -7.555 1.00 0.00 H new ATOM 670 N PRO A 69 -14.404 4.736 -7.069 1.00 0.00 N ATOM 671 CA PRO A 69 -15.495 5.039 -8.002 1.00 0.00 C ATOM 672 C PRO A 69 -16.863 4.744 -7.395 1.00 0.00 C ATOM 673 O PRO A 69 -17.893 5.176 -7.916 1.00 0.00 O ATOM 674 CB PRO A 69 -15.235 4.115 -9.203 1.00 0.00 C ATOM 675 CG PRO A 69 -13.877 3.545 -8.982 1.00 0.00 C ATOM 676 CD PRO A 69 -13.678 3.531 -7.496 1.00 0.00 C ATOM 0 HA PRO A 69 -15.512 6.096 -8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.986 3.327 -9.262 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -15.280 4.669 -10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.803 2.540 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.114 4.149 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.085 2.629 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.623 3.576 -7.227 1.00 0.00 H new ATOM 684 N ALA A 70 -16.865 4.022 -6.281 1.00 0.00 N ATOM 685 CA ALA A 70 -18.103 3.648 -5.615 1.00 0.00 C ATOM 686 C ALA A 70 -18.524 4.708 -4.601 1.00 0.00 C ATOM 687 O ALA A 70 -19.526 4.552 -3.901 1.00 0.00 O ATOM 688 CB ALA A 70 -17.945 2.294 -4.940 1.00 0.00 C ATOM 0 H ALA A 70 -16.020 3.684 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 70 -18.889 3.577 -6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -18.877 2.023 -4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -17.700 1.541 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -17.144 2.346 -4.203 1.00 0.00 H new ATOM 694 N GLY A 71 -17.756 5.788 -4.531 1.00 0.00 N ATOM 695 CA GLY A 71 -18.078 6.868 -3.616 1.00 0.00 C ATOM 696 C GLY A 71 -17.168 6.895 -2.410 1.00 0.00 C ATOM 697 O GLY A 71 -17.320 7.732 -1.522 1.00 0.00 O ATOM 0 H GLY A 71 -16.916 5.936 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.006 7.820 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.111 6.764 -3.285 1.00 0.00 H new ATOM 701 N PHE A 72 -16.221 5.974 -2.374 1.00 0.00 N ATOM 702 CA PHE A 72 -15.257 5.917 -1.292 1.00 0.00 C ATOM 703 C PHE A 72 -14.023 6.724 -1.662 1.00 0.00 C ATOM 704 O PHE A 72 -13.841 7.094 -2.820 1.00 0.00 O ATOM 705 CB PHE A 72 -14.846 4.469 -1.003 1.00 0.00 C ATOM 706 CG PHE A 72 -15.968 3.576 -0.550 1.00 0.00 C ATOM 707 CD1 PHE A 72 -16.975 3.198 -1.424 1.00 0.00 C ATOM 708 CD2 PHE A 72 -16.008 3.107 0.751 1.00 0.00 C ATOM 709 CE1 PHE A 72 -18.000 2.373 -1.008 1.00 0.00 C ATOM 710 CE2 PHE A 72 -17.029 2.279 1.172 1.00 0.00 C ATOM 711 CZ PHE A 72 -18.026 1.912 0.292 1.00 0.00 C ATOM 0 H PHE A 72 -16.100 5.253 -3.085 1.00 0.00 H new ATOM 0 HA PHE A 72 -15.720 6.335 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.403 4.045 -1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.070 4.472 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.957 3.554 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.231 3.392 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.780 2.089 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -17.047 1.919 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 72 -18.826 1.265 0.620 1.00 0.00 H new ATOM 721 N GLU A 73 -13.194 7.010 -0.679 1.00 0.00 N ATOM 722 CA GLU A 73 -11.901 7.617 -0.931 1.00 0.00 C ATOM 723 C GLU A 73 -10.930 7.145 0.130 1.00 0.00 C ATOM 724 O GLU A 73 -11.024 7.535 1.294 1.00 0.00 O ATOM 725 CB GLU A 73 -11.991 9.144 -0.945 1.00 0.00 C ATOM 726 CG GLU A 73 -11.146 9.797 -2.036 1.00 0.00 C ATOM 727 CD GLU A 73 -9.650 9.605 -1.849 1.00 0.00 C ATOM 728 OE1 GLU A 73 -9.127 8.527 -2.201 1.00 0.00 O ATOM 729 OE2 GLU A 73 -8.987 10.548 -1.366 1.00 0.00 O1- ATOM 0 H GLU A 73 -13.393 6.832 0.305 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.549 7.312 -1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.032 9.437 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.675 9.527 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.438 9.387 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.366 10.864 -2.063 1.00 0.00 H new ATOM 736 N VAL A 74 -10.031 6.268 -0.274 1.00 0.00 N ATOM 737 CA VAL A 74 -9.049 5.698 0.630 1.00 0.00 C ATOM 738 C VAL A 74 -8.141 6.786 1.185 1.00 0.00 C ATOM 739 O VAL A 74 -7.953 7.827 0.567 1.00 0.00 O ATOM 740 CB VAL A 74 -8.191 4.632 -0.089 1.00 0.00 C ATOM 741 CG1 VAL A 74 -9.024 3.414 -0.449 1.00 0.00 C ATOM 742 CG2 VAL A 74 -7.553 5.210 -1.341 1.00 0.00 C ATOM 0 H VAL A 74 -9.960 5.931 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.588 5.224 1.450 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.403 4.323 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.396 2.680 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.438 2.975 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.837 3.712 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.954 4.443 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.332 5.552 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.914 6.051 -1.069 1.00 0.00 H new ATOM 752 N THR A 75 -7.617 6.563 2.370 1.00 0.00 N ATOM 753 CA THR A 75 -6.668 7.485 2.958 1.00 0.00 C ATOM 754 C THR A 75 -5.308 6.806 3.091 1.00 0.00 C ATOM 755 O THR A 75 -4.330 7.229 2.479 1.00 0.00 O ATOM 756 CB THR A 75 -7.155 7.975 4.335 1.00 0.00 C ATOM 757 OG1 THR A 75 -8.543 8.335 4.261 1.00 0.00 O ATOM 758 CG2 THR A 75 -6.350 9.176 4.797 1.00 0.00 C ATOM 0 H THR A 75 -7.832 5.750 2.947 1.00 0.00 H new ATOM 0 HA THR A 75 -6.577 8.353 2.305 1.00 0.00 H new ATOM 0 HB THR A 75 -7.021 7.165 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.848 8.644 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.712 9.504 5.771 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.298 8.901 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.461 9.987 4.077 1.00 0.00 H new ATOM 766 N ARG A 76 -5.266 5.733 3.873 1.00 0.00 N ATOM 767 CA ARG A 76 -4.052 4.940 4.045 1.00 0.00 C ATOM 768 C ARG A 76 -4.438 3.475 4.215 1.00 0.00 C ATOM 769 O ARG A 76 -5.576 3.177 4.582 1.00 0.00 O ATOM 770 CB ARG A 76 -3.246 5.414 5.263 1.00 0.00 C ATOM 771 CG ARG A 76 -2.758 6.851 5.170 1.00 0.00 C ATOM 772 CD ARG A 76 -1.860 7.214 6.342 1.00 0.00 C ATOM 773 NE ARG A 76 -2.547 7.085 7.625 1.00 0.00 N ATOM 774 CZ ARG A 76 -2.023 6.494 8.698 1.00 0.00 C ATOM 775 NH1 ARG A 76 -0.798 5.979 8.650 1.00 0.00 N1+ ATOM 776 NH2 ARG A 76 -2.726 6.421 9.821 1.00 0.00 N ATOM 0 H ARG A 76 -6.067 5.389 4.403 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.424 5.062 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.863 5.309 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.385 4.758 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.213 6.991 4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.614 7.526 5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.980 6.570 6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.506 8.238 6.223 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.487 7.472 7.704 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.254 6.035 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.402 5.528 9.474 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.665 6.817 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.327 5.969 10.644 1.00 0.00 H new ATOM 790 N VAL A 77 -3.517 2.561 3.939 1.00 0.00 N ATOM 791 CA VAL A 77 -3.811 1.140 4.083 1.00 0.00 C ATOM 792 C VAL A 77 -2.711 0.424 4.865 1.00 0.00 C ATOM 793 O VAL A 77 -1.540 0.790 4.795 1.00 0.00 O ATOM 794 CB VAL A 77 -4.017 0.433 2.716 1.00 0.00 C ATOM 795 CG1 VAL A 77 -5.144 1.082 1.928 1.00 0.00 C ATOM 796 CG2 VAL A 77 -2.742 0.430 1.894 1.00 0.00 C ATOM 0 H VAL A 77 -2.572 2.773 3.618 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.747 1.080 4.638 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.290 -0.601 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.266 0.566 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.071 1.016 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.904 2.130 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.923 -0.073 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.427 1.457 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.959 -0.096 2.440 1.00 0.00 H new ATOM 806 N ARG A 78 -3.111 -0.581 5.624 1.00 0.00 N ATOM 807 CA ARG A 78 -2.176 -1.422 6.361 1.00 0.00 C ATOM 808 C ARG A 78 -2.138 -2.819 5.754 1.00 0.00 C ATOM 809 O ARG A 78 -2.951 -3.675 6.103 1.00 0.00 O ATOM 810 CB ARG A 78 -2.580 -1.502 7.835 1.00 0.00 C ATOM 811 CG ARG A 78 -2.044 -0.362 8.684 1.00 0.00 C ATOM 812 CD ARG A 78 -2.816 -0.233 9.986 1.00 0.00 C ATOM 813 NE ARG A 78 -4.142 0.343 9.769 1.00 0.00 N ATOM 814 CZ ARG A 78 -5.203 0.112 10.542 1.00 0.00 C ATOM 815 NH1 ARG A 78 -5.118 -0.714 11.574 1.00 0.00 N1+ ATOM 816 NH2 ARG A 78 -6.352 0.714 10.273 1.00 0.00 N ATOM 0 H ARG A 78 -4.090 -0.839 5.749 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.182 -0.979 6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.668 -1.512 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.226 -2.447 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.989 -0.531 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.110 0.572 8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.916 -1.215 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.256 0.392 10.682 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.264 0.965 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.235 -1.180 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.936 -0.884 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.421 1.350 9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.168 0.542 10.860 1.00 0.00 H new ATOM 830 N PRO A 79 -1.224 -3.050 4.801 1.00 0.00 N ATOM 831 CA PRO A 79 -1.057 -4.352 4.156 1.00 0.00 C ATOM 832 C PRO A 79 -0.348 -5.358 5.055 1.00 0.00 C ATOM 833 O PRO A 79 0.464 -4.986 5.906 1.00 0.00 O ATOM 834 CB PRO A 79 -0.192 -4.040 2.922 1.00 0.00 C ATOM 835 CG PRO A 79 -0.123 -2.551 2.843 1.00 0.00 C ATOM 836 CD PRO A 79 -0.293 -2.061 4.247 1.00 0.00 C ATOM 0 HA PRO A 79 -2.018 -4.807 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.803 -4.473 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.633 -4.460 2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.831 -2.225 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.905 -2.157 2.194 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.652 -2.040 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.702 -1.051 4.281 1.00 0.00 H new ATOM 844 N CYS A 80 -0.663 -6.632 4.868 1.00 0.00 N ATOM 845 CA CYS A 80 -0.047 -7.691 5.649 1.00 0.00 C ATOM 846 C CYS A 80 1.326 -8.057 5.089 1.00 0.00 C ATOM 847 O CYS A 80 1.453 -8.928 4.225 1.00 0.00 O ATOM 848 CB CYS A 80 -0.958 -8.919 5.677 1.00 0.00 C ATOM 849 SG CYS A 80 -1.490 -9.486 4.042 1.00 0.00 S ATOM 0 H CYS A 80 -1.343 -6.956 4.180 1.00 0.00 H new ATOM 0 HA CYS A 80 0.092 -7.330 6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.436 -9.733 6.179 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.840 -8.689 6.274 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.467 -9.519 3.240 1.00 0.00 H new ATOM 855 N VAL A 81 2.348 -7.373 5.573 1.00 0.00 N ATOM 856 CA VAL A 81 3.717 -7.687 5.205 1.00 0.00 C ATOM 857 C VAL A 81 4.304 -8.650 6.231 1.00 0.00 C ATOM 858 O VAL A 81 3.863 -8.675 7.380 1.00 0.00 O ATOM 859 CB VAL A 81 4.583 -6.407 5.118 1.00 0.00 C ATOM 860 CG1 VAL A 81 4.725 -5.745 6.484 1.00 0.00 C ATOM 861 CG2 VAL A 81 5.948 -6.713 4.514 1.00 0.00 C ATOM 0 H VAL A 81 2.255 -6.594 6.224 1.00 0.00 H new ATOM 0 HA VAL A 81 3.715 -8.153 4.220 1.00 0.00 H new ATOM 0 HB VAL A 81 4.074 -5.703 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.338 -4.849 6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.739 -5.473 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.199 -6.439 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.537 -5.797 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.465 -7.444 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.819 -7.117 3.510 1.00 0.00 H new ATOM 871 N ALA A 82 5.270 -9.456 5.806 1.00 0.00 N ATOM 872 CA ALA A 82 5.921 -10.411 6.692 1.00 0.00 C ATOM 873 C ALA A 82 6.569 -9.703 7.878 1.00 0.00 C ATOM 874 O ALA A 82 7.534 -8.957 7.710 1.00 0.00 O ATOM 875 CB ALA A 82 6.960 -11.216 5.924 1.00 0.00 C ATOM 0 H ALA A 82 5.620 -9.466 4.848 1.00 0.00 H new ATOM 0 HA ALA A 82 5.161 -11.091 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.440 -11.927 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.474 -11.757 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.711 -10.542 5.512 1.00 0.00 H new ATOM 881 N PRO A 83 6.045 -9.932 9.094 1.00 0.00 N ATOM 882 CA PRO A 83 6.557 -9.299 10.309 1.00 0.00 C ATOM 883 C PRO A 83 7.825 -9.981 10.807 1.00 0.00 C ATOM 884 O PRO A 83 7.867 -10.524 11.913 1.00 0.00 O ATOM 885 CB PRO A 83 5.414 -9.487 11.304 1.00 0.00 C ATOM 886 CG PRO A 83 4.750 -10.750 10.877 1.00 0.00 C ATOM 887 CD PRO A 83 4.914 -10.836 9.380 1.00 0.00 C ATOM 0 HA PRO A 83 6.834 -8.256 10.155 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.786 -9.560 12.326 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.721 -8.646 11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.204 -11.611 11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.695 -10.746 11.152 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.127 -11.856 9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.009 -10.521 8.860 1.00 0.00 H new ATOM 895 N LYS A 84 8.848 -9.969 9.974 1.00 0.00 N ATOM 896 CA LYS A 84 10.098 -10.624 10.291 1.00 0.00 C ATOM 897 C LYS A 84 11.223 -9.598 10.324 1.00 0.00 C ATOM 898 O LYS A 84 11.981 -9.501 9.340 1.00 0.00 O ATOM 899 CB LYS A 84 10.381 -11.710 9.251 1.00 0.00 C ATOM 900 CG LYS A 84 11.540 -12.625 9.605 1.00 0.00 C ATOM 901 CD LYS A 84 11.814 -13.608 8.482 1.00 0.00 C ATOM 902 CE LYS A 84 13.014 -14.484 8.783 1.00 0.00 C ATOM 903 NZ LYS A 84 13.286 -15.442 7.678 1.00 0.00 N1+ ATOM 904 OXT LYS A 84 11.320 -8.860 11.324 1.00 0.00 O ATOM 0 H LYS A 84 8.835 -9.507 9.065 1.00 0.00 H new ATOM 0 HA LYS A 84 10.031 -11.091 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.483 -12.314 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.588 -11.234 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.432 -12.030 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.313 -13.168 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.936 -14.235 8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.986 -13.062 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.891 -13.857 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.840 -15.035 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.113 -16.024 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.459 -16.057 7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.477 -14.916 6.801 1.00 0.00 H new TER 918 LYS A 84 ATOM 919 N PRO B 24 7.824 1.133 11.785 1.00 0.00 N ATOM 920 CA PRO B 24 8.480 1.572 10.535 1.00 0.00 C ATOM 921 C PRO B 24 8.244 3.056 10.301 1.00 0.00 C ATOM 922 O PRO B 24 7.106 3.525 10.324 1.00 0.00 O ATOM 923 CB PRO B 24 7.920 0.757 9.380 1.00 0.00 C ATOM 924 CG PRO B 24 6.811 -0.012 10.005 1.00 0.00 C ATOM 925 CD PRO B 24 7.184 -0.152 11.461 1.00 0.00 C ATOM 0 HA PRO B 24 9.556 1.413 10.611 1.00 0.00 H new ATOM 0 HB2 PRO B 24 7.561 1.397 8.574 1.00 0.00 H new ATOM 0 HB3 PRO B 24 8.674 0.097 8.951 1.00 0.00 H new ATOM 0 HG2 PRO B 24 5.860 0.509 9.892 1.00 0.00 H new ATOM 0 HG3 PRO B 24 6.697 -0.988 9.534 1.00 0.00 H new ATOM 0 HD2 PRO B 24 6.307 -0.330 12.083 1.00 0.00 H new ATOM 0 HD3 PRO B 24 7.864 -0.989 11.621 1.00 0.00 H new ATOM 933 N ALA B 25 9.324 3.791 10.087 1.00 0.00 N ATOM 934 CA ALA B 25 9.239 5.214 9.815 1.00 0.00 C ATOM 935 C ALA B 25 9.317 5.472 8.314 1.00 0.00 C ATOM 936 O ALA B 25 8.783 4.699 7.517 1.00 0.00 O ATOM 937 CB ALA B 25 10.346 5.955 10.549 1.00 0.00 C ATOM 0 H ALA B 25 10.274 3.421 10.097 1.00 0.00 H new ATOM 0 HA ALA B 25 8.280 5.585 10.175 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.272 7.022 10.337 1.00 0.00 H new ATOM 0 HB2 ALA B 25 10.245 5.790 11.622 1.00 0.00 H new ATOM 0 HB3 ALA B 25 11.315 5.585 10.215 1.00 0.00 H new ATOM 943 N ILE B 26 9.978 6.557 7.935 1.00 0.00 N ATOM 944 CA ILE B 26 10.170 6.889 6.531 1.00 0.00 C ATOM 945 C ILE B 26 11.221 5.962 5.921 1.00 0.00 C ATOM 946 O ILE B 26 12.398 6.315 5.816 1.00 0.00 O ATOM 947 CB ILE B 26 10.614 8.358 6.360 1.00 0.00 C ATOM 948 CG1 ILE B 26 9.743 9.288 7.215 1.00 0.00 C ATOM 949 CG2 ILE B 26 10.540 8.764 4.896 1.00 0.00 C ATOM 950 CD1 ILE B 26 8.260 9.192 6.918 1.00 0.00 C ATOM 0 H ILE B 26 10.392 7.225 8.585 1.00 0.00 H new ATOM 0 HA ILE B 26 9.218 6.757 6.017 1.00 0.00 H new ATOM 0 HB ILE B 26 11.647 8.448 6.697 1.00 0.00 H new ATOM 0 HG12 ILE B 26 9.908 9.057 8.267 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.068 10.317 7.060 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.856 9.802 4.790 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.196 8.123 4.307 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.515 8.658 4.540 1.00 0.00 H new ATOM 0 HD11 ILE B 26 7.714 9.880 7.564 1.00 0.00 H new ATOM 0 HD12 ILE B 26 8.080 9.453 5.875 1.00 0.00 H new ATOM 0 HD13 ILE B 26 7.917 8.174 7.101 1.00 0.00 H new ATOM 962 N LEU B 27 10.796 4.765 5.545 1.00 0.00 N ATOM 963 CA LEU B 27 11.707 3.758 5.031 1.00 0.00 C ATOM 964 C LEU B 27 10.968 2.753 4.157 1.00 0.00 C ATOM 965 O LEU B 27 9.739 2.728 4.126 1.00 0.00 O ATOM 966 CB LEU B 27 12.413 3.047 6.199 1.00 0.00 C ATOM 967 CG LEU B 27 11.502 2.449 7.277 1.00 0.00 C ATOM 968 CD1 LEU B 27 11.058 1.054 6.890 1.00 0.00 C ATOM 969 CD2 LEU B 27 12.211 2.427 8.622 1.00 0.00 C ATOM 0 H LEU B 27 9.821 4.468 5.587 1.00 0.00 H new ATOM 0 HA LEU B 27 12.458 4.250 4.412 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.031 2.247 5.790 1.00 0.00 H new ATOM 0 HB3 LEU B 27 13.087 3.758 6.676 1.00 0.00 H new ATOM 0 HG LEU B 27 10.616 3.079 7.363 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.412 0.648 7.669 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.510 1.095 5.949 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.932 0.413 6.773 1.00 0.00 H new ATOM 0 HD21 LEU B 27 11.549 1.999 9.375 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.115 1.822 8.547 1.00 0.00 H new ATOM 0 HD23 LEU B 27 12.478 3.444 8.909 1.00 0.00 H new ATOM 981 N ALA B 28 11.724 1.946 3.429 1.00 0.00 N ATOM 982 CA ALA B 28 11.147 0.875 2.632 1.00 0.00 C ATOM 983 C ALA B 28 11.124 -0.411 3.447 1.00 0.00 C ATOM 984 O ALA B 28 12.140 -0.805 4.019 1.00 0.00 O ATOM 985 CB ALA B 28 11.934 0.681 1.339 1.00 0.00 C ATOM 0 H ALA B 28 12.740 2.013 3.374 1.00 0.00 H new ATOM 0 HA ALA B 28 10.125 1.143 2.363 1.00 0.00 H new ATOM 0 HB1 ALA B 28 11.486 -0.125 0.758 1.00 0.00 H new ATOM 0 HB2 ALA B 28 11.912 1.603 0.758 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.967 0.426 1.576 1.00 0.00 H new ATOM 991 N GLU B 29 9.957 -1.042 3.508 1.00 0.00 N ATOM 992 CA GLU B 29 9.753 -2.247 4.314 1.00 0.00 C ATOM 993 C GLU B 29 10.594 -3.412 3.792 1.00 0.00 C ATOM 994 O GLU B 29 10.873 -4.368 4.513 1.00 0.00 O ATOM 995 CB GLU B 29 8.269 -2.618 4.299 1.00 0.00 C ATOM 996 CG GLU B 29 7.893 -3.764 5.223 1.00 0.00 C ATOM 997 CD GLU B 29 8.211 -3.484 6.678 1.00 0.00 C ATOM 998 OE1 GLU B 29 7.546 -2.610 7.277 1.00 0.00 O ATOM 999 OE2 GLU B 29 9.109 -4.149 7.232 1.00 0.00 O1- ATOM 0 H GLU B 29 9.125 -0.736 3.003 1.00 0.00 H new ATOM 0 HA GLU B 29 10.071 -2.041 5.336 1.00 0.00 H new ATOM 0 HB2 GLU B 29 7.686 -1.740 4.576 1.00 0.00 H new ATOM 0 HB3 GLU B 29 7.984 -2.882 3.280 1.00 0.00 H new ATOM 0 HG2 GLU B 29 6.827 -3.968 5.123 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.421 -4.664 4.909 1.00 0.00 H new ATOM 1006 N ILE B 30 10.992 -3.325 2.534 1.00 0.00 N ATOM 1007 CA ILE B 30 11.822 -4.343 1.910 1.00 0.00 C ATOM 1008 C ILE B 30 12.879 -3.690 1.037 1.00 0.00 C ATOM 1009 O ILE B 30 12.766 -2.513 0.689 1.00 0.00 O ATOM 1010 CB ILE B 30 10.986 -5.315 1.051 1.00 0.00 C ATOM 1011 CG1 ILE B 30 10.033 -4.531 0.148 1.00 0.00 C ATOM 1012 CG2 ILE B 30 10.219 -6.292 1.934 1.00 0.00 C ATOM 1013 CD1 ILE B 30 9.275 -5.395 -0.830 1.00 0.00 C ATOM 0 H ILE B 30 10.750 -2.549 1.917 1.00 0.00 H new ATOM 0 HA ILE B 30 12.296 -4.912 2.710 1.00 0.00 H new ATOM 0 HB ILE B 30 11.661 -5.894 0.421 1.00 0.00 H new ATOM 0 HG12 ILE B 30 9.320 -3.990 0.770 1.00 0.00 H new ATOM 0 HG13 ILE B 30 10.603 -3.785 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.636 -6.968 1.308 1.00 0.00 H new ATOM 0 HG22 ILE B 30 10.922 -6.869 2.534 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.549 -5.739 2.592 1.00 0.00 H new ATOM 0 HD11 ILE B 30 8.620 -4.770 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE B 30 9.980 -5.916 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE B 30 8.677 -6.124 -0.284 1.00 0.00 H new ATOM 1025 N SER B 31 13.901 -4.451 0.691 1.00 0.00 N ATOM 1026 CA SER B 31 14.994 -3.933 -0.105 1.00 0.00 C ATOM 1027 C SER B 31 14.765 -4.235 -1.570 1.00 0.00 C ATOM 1028 O SER B 31 14.405 -5.352 -1.945 1.00 0.00 O ATOM 1029 CB SER B 31 16.308 -4.557 0.328 1.00 0.00 C ATOM 1030 OG SER B 31 17.419 -3.927 -0.277 1.00 0.00 O ATOM 0 H SER B 31 13.995 -5.433 0.951 1.00 0.00 H new ATOM 0 HA SER B 31 15.039 -2.854 0.043 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.400 -4.492 1.412 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.308 -5.616 0.071 1.00 0.00 H new ATOM 0 HG SER B 31 18.160 -4.565 -0.346 1.00 0.00 H new ATOM 1036 N GLY B 32 15.010 -3.244 -2.387 1.00 0.00 N ATOM 1037 CA GLY B 32 14.822 -3.382 -3.808 1.00 0.00 C ATOM 1038 C GLY B 32 14.684 -2.051 -4.499 1.00 0.00 C ATOM 1039 O GLY B 32 15.158 -1.030 -4.001 1.00 0.00 O ATOM 0 H GLY B 32 15.342 -2.326 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY B 32 15.667 -3.923 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY B 32 13.932 -3.981 -3.998 1.00 0.00 H new ATOM 1043 N ILE B 33 14.047 -2.069 -5.654 1.00 0.00 N ATOM 1044 CA ILE B 33 13.795 -0.859 -6.407 1.00 0.00 C ATOM 1045 C ILE B 33 12.383 -0.369 -6.129 1.00 0.00 C ATOM 1046 O ILE B 33 11.409 -0.979 -6.564 1.00 0.00 O ATOM 1047 CB ILE B 33 13.962 -1.101 -7.923 1.00 0.00 C ATOM 1048 CG1 ILE B 33 15.336 -1.717 -8.221 1.00 0.00 C ATOM 1049 CG2 ILE B 33 13.775 0.194 -8.699 1.00 0.00 C ATOM 1050 CD1 ILE B 33 16.506 -0.842 -7.819 1.00 0.00 C ATOM 0 H ILE B 33 13.692 -2.918 -6.093 1.00 0.00 H new ATOM 0 HA ILE B 33 14.520 -0.107 -6.095 1.00 0.00 H new ATOM 0 HB ILE B 33 13.193 -1.804 -8.244 1.00 0.00 H new ATOM 0 HG12 ILE B 33 15.415 -2.672 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE B 33 15.404 -1.928 -9.288 1.00 0.00 H new ATOM 0 HG21 ILE B 33 13.897 0.000 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE B 33 12.776 0.588 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE B 33 14.518 0.923 -8.375 1.00 0.00 H new ATOM 0 HD11 ILE B 33 17.440 -1.349 -8.063 1.00 0.00 H new ATOM 0 HD12 ILE B 33 16.455 0.104 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE B 33 16.466 -0.651 -6.747 1.00 0.00 H new ATOM 1062 N VAL B 34 12.270 0.712 -5.384 1.00 0.00 N ATOM 1063 CA VAL B 34 10.968 1.269 -5.068 1.00 0.00 C ATOM 1064 C VAL B 34 10.496 2.155 -6.211 1.00 0.00 C ATOM 1065 O VAL B 34 11.262 2.949 -6.748 1.00 0.00 O ATOM 1066 CB VAL B 34 10.988 2.062 -3.740 1.00 0.00 C ATOM 1067 CG1 VAL B 34 12.043 3.153 -3.772 1.00 0.00 C ATOM 1068 CG2 VAL B 34 9.618 2.649 -3.441 1.00 0.00 C ATOM 0 H VAL B 34 13.060 1.221 -4.987 1.00 0.00 H new ATOM 0 HA VAL B 34 10.270 0.442 -4.939 1.00 0.00 H new ATOM 0 HB VAL B 34 11.245 1.368 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL B 34 12.035 3.695 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL B 34 13.025 2.705 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL B 34 11.828 3.844 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL B 34 9.656 3.202 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL B 34 9.327 3.322 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.888 1.844 -3.358 1.00 0.00 H new ATOM 1078 N SER B 35 9.245 1.994 -6.601 1.00 0.00 N ATOM 1079 CA SER B 35 8.699 2.727 -7.727 1.00 0.00 C ATOM 1080 C SER B 35 7.290 3.220 -7.418 1.00 0.00 C ATOM 1081 O SER B 35 6.660 2.762 -6.462 1.00 0.00 O ATOM 1082 CB SER B 35 8.704 1.832 -8.970 1.00 0.00 C ATOM 1083 OG SER B 35 8.256 0.522 -8.660 1.00 0.00 O ATOM 0 H SER B 35 8.585 1.359 -6.152 1.00 0.00 H new ATOM 0 HA SER B 35 9.321 3.602 -7.918 1.00 0.00 H new ATOM 0 HB2 SER B 35 8.063 2.267 -9.737 1.00 0.00 H new ATOM 0 HB3 SER B 35 9.711 1.786 -9.385 1.00 0.00 H new ATOM 0 HG SER B 35 8.052 0.464 -7.703 1.00 0.00 H new ATOM 1089 N PHE B 36 6.807 4.161 -8.215 1.00 0.00 N ATOM 1090 CA PHE B 36 5.473 4.706 -8.029 1.00 0.00 C ATOM 1091 C PHE B 36 4.575 4.287 -9.181 1.00 0.00 C ATOM 1092 O PHE B 36 5.057 3.993 -10.278 1.00 0.00 O ATOM 1093 CB PHE B 36 5.501 6.237 -7.940 1.00 0.00 C ATOM 1094 CG PHE B 36 6.340 6.786 -6.819 1.00 0.00 C ATOM 1095 CD1 PHE B 36 6.464 6.105 -5.619 1.00 0.00 C ATOM 1096 CD2 PHE B 36 7.008 7.989 -6.973 1.00 0.00 C ATOM 1097 CE1 PHE B 36 7.238 6.615 -4.596 1.00 0.00 C ATOM 1098 CE2 PHE B 36 7.782 8.504 -5.953 1.00 0.00 C ATOM 1099 CZ PHE B 36 7.898 7.815 -4.764 1.00 0.00 C ATOM 0 H PHE B 36 7.321 4.563 -8.999 1.00 0.00 H new ATOM 0 HA PHE B 36 5.082 4.313 -7.091 1.00 0.00 H new ATOM 0 HB2 PHE B 36 5.874 6.635 -8.884 1.00 0.00 H new ATOM 0 HB3 PHE B 36 4.480 6.599 -7.822 1.00 0.00 H new ATOM 0 HD1 PHE B 36 5.950 5.165 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE B 36 6.922 8.531 -7.903 1.00 0.00 H new ATOM 0 HE1 PHE B 36 7.327 6.075 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE B 36 8.296 9.445 -6.086 1.00 0.00 H new ATOM 0 HZ PHE B 36 8.505 8.214 -3.965 1.00 0.00 H new ATOM 1109 N GLY B 37 3.278 4.257 -8.926 1.00 0.00 N ATOM 1110 CA GLY B 37 2.331 3.887 -9.950 1.00 0.00 C ATOM 1111 C GLY B 37 1.083 4.741 -9.913 1.00 0.00 C ATOM 1112 O GLY B 37 0.978 5.658 -9.089 1.00 0.00 O ATOM 0 H GLY B 37 2.864 4.484 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY B 37 2.803 3.979 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY B 37 2.056 2.840 -9.826 1.00 0.00 H new ATOM 1116 N LYS B 38 0.131 4.410 -10.784 1.00 0.00 N ATOM 1117 CA LYS B 38 -1.104 5.176 -10.938 1.00 0.00 C ATOM 1118 C LYS B 38 -1.832 5.359 -9.608 1.00 0.00 C ATOM 1119 O LYS B 38 -2.036 4.410 -8.846 1.00 0.00 O ATOM 1120 CB LYS B 38 -2.042 4.513 -11.967 1.00 0.00 C ATOM 1121 CG LYS B 38 -2.670 3.191 -11.519 1.00 0.00 C ATOM 1122 CD LYS B 38 -1.637 2.092 -11.357 1.00 0.00 C ATOM 1123 CE LYS B 38 -2.292 0.767 -11.017 1.00 0.00 C ATOM 1124 NZ LYS B 38 -3.010 0.173 -12.176 1.00 0.00 N1+ ATOM 0 H LYS B 38 0.195 3.602 -11.403 1.00 0.00 H new ATOM 0 HA LYS B 38 -0.820 6.163 -11.304 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -2.842 5.213 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -1.482 4.338 -12.886 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -3.191 3.340 -10.573 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -3.418 2.880 -12.249 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -1.063 1.991 -12.278 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -0.933 2.365 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -1.532 0.068 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -2.993 0.912 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -3.129 -0.849 -12.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -3.944 0.620 -12.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -2.459 0.332 -13.044 1.00 0.00 H new ATOM 1138 N GLU B 39 -2.180 6.601 -9.339 1.00 0.00 N ATOM 1139 CA GLU B 39 -2.905 6.981 -8.138 1.00 0.00 C ATOM 1140 C GLU B 39 -4.098 7.866 -8.496 1.00 0.00 C ATOM 1141 O GLU B 39 -4.193 8.345 -9.626 1.00 0.00 O ATOM 1142 CB GLU B 39 -1.971 7.687 -7.146 1.00 0.00 C ATOM 1143 CG GLU B 39 -0.904 8.572 -7.792 1.00 0.00 C ATOM 1144 CD GLU B 39 -1.474 9.641 -8.704 1.00 0.00 C ATOM 1145 OE1 GLU B 39 -1.990 10.654 -8.192 1.00 0.00 O ATOM 1146 OE2 GLU B 39 -1.398 9.474 -9.940 1.00 0.00 O1- ATOM 0 H GLU B 39 -1.966 7.386 -9.954 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.284 6.079 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.573 8.299 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.476 6.933 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -0.317 9.050 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.221 7.944 -8.364 1.00 0.00 H new ATOM 1153 N THR B 40 -5.036 8.030 -7.570 1.00 0.00 N ATOM 1154 CA THR B 40 -6.166 8.932 -7.786 1.00 0.00 C ATOM 1155 C THR B 40 -5.695 10.357 -8.070 1.00 0.00 C ATOM 1156 O THR B 40 -5.661 10.796 -9.223 1.00 0.00 O ATOM 1157 CB THR B 40 -7.114 8.959 -6.575 1.00 0.00 C ATOM 1158 OG1 THR B 40 -6.353 8.893 -5.357 1.00 0.00 O ATOM 1159 CG2 THR B 40 -8.116 7.817 -6.636 1.00 0.00 C ATOM 0 H THR B 40 -5.039 7.555 -6.668 1.00 0.00 H new ATOM 0 HA THR B 40 -6.704 8.546 -8.652 1.00 0.00 H new ATOM 0 HB THR B 40 -7.673 9.895 -6.598 1.00 0.00 H new ATOM 0 HG1 THR B 40 -6.527 8.039 -4.908 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.772 7.862 -5.767 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.711 7.903 -7.545 1.00 0.00 H new ATOM 0 HG23 THR B 40 -7.584 6.866 -6.640 1.00 0.00 H new ATOM 1167 N LYS B 41 -5.329 11.066 -7.011 1.00 0.00 N ATOM 1168 CA LYS B 41 -4.855 12.439 -7.127 1.00 0.00 C ATOM 1169 C LYS B 41 -4.077 12.847 -5.883 1.00 0.00 C ATOM 1170 O LYS B 41 -3.079 13.560 -5.967 1.00 0.00 O ATOM 1171 CB LYS B 41 -6.029 13.403 -7.346 1.00 0.00 C ATOM 1172 CG LYS B 41 -7.075 13.364 -6.240 1.00 0.00 C ATOM 1173 CD LYS B 41 -8.147 14.424 -6.433 1.00 0.00 C ATOM 1174 CE LYS B 41 -7.567 15.830 -6.379 1.00 0.00 C ATOM 1175 NZ LYS B 41 -8.627 16.870 -6.439 1.00 0.00 N1+ ATOM 0 H LYS B 41 -5.352 10.710 -6.055 1.00 0.00 H new ATOM 0 HA LYS B 41 -4.192 12.492 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -5.642 14.418 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -6.509 13.165 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -7.540 12.378 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -6.589 13.511 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -8.641 14.271 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -8.909 14.315 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -6.992 15.950 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -6.875 15.969 -7.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -8.191 17.813 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -9.160 16.772 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -9.273 16.754 -5.633 1.00 0.00 H new ATOM 1189 N GLY B 42 -4.540 12.390 -4.725 1.00 0.00 N ATOM 1190 CA GLY B 42 -3.883 12.729 -3.480 1.00 0.00 C ATOM 1191 C GLY B 42 -3.064 11.580 -2.941 1.00 0.00 C ATOM 1192 O GLY B 42 -2.575 11.625 -1.811 1.00 0.00 O ATOM 0 H GLY B 42 -5.359 11.790 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY B 42 -3.237 13.593 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -4.631 13.018 -2.742 1.00 0.00 H new ATOM 1196 N LYS B 43 -2.915 10.541 -3.747 1.00 0.00 N ATOM 1197 CA LYS B 43 -2.147 9.381 -3.349 1.00 0.00 C ATOM 1198 C LYS B 43 -0.937 9.184 -4.239 1.00 0.00 C ATOM 1199 O LYS B 43 -0.634 10.010 -5.099 1.00 0.00 O ATOM 1200 CB LYS B 43 -3.011 8.125 -3.360 1.00 0.00 C ATOM 1201 CG LYS B 43 -3.418 7.673 -1.974 1.00 0.00 C ATOM 1202 CD LYS B 43 -4.212 8.738 -1.243 1.00 0.00 C ATOM 1203 CE LYS B 43 -5.660 8.330 -1.073 1.00 0.00 C ATOM 1204 NZ LYS B 43 -6.397 8.264 -2.368 1.00 0.00 N1+ ATOM 0 H LYS B 43 -3.318 10.481 -4.682 1.00 0.00 H new ATOM 0 HA LYS B 43 -1.798 9.559 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -3.907 8.312 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -2.466 7.320 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -4.014 6.763 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -2.527 7.424 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -3.766 8.919 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -4.159 9.676 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -5.704 7.356 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -6.158 9.040 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -7.419 8.216 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -6.186 9.113 -2.931 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -6.100 7.417 -2.894 1.00 0.00 H new ATOM 1218 N ARG B 44 -0.238 8.093 -3.993 1.00 0.00 N ATOM 1219 CA ARG B 44 0.967 7.752 -4.718 1.00 0.00 C ATOM 1220 C ARG B 44 1.240 6.260 -4.545 1.00 0.00 C ATOM 1221 O ARG B 44 1.587 5.806 -3.454 1.00 0.00 O ATOM 1222 CB ARG B 44 2.106 8.621 -4.186 1.00 0.00 C ATOM 1223 CG ARG B 44 3.473 8.321 -4.759 1.00 0.00 C ATOM 1224 CD ARG B 44 4.406 9.485 -4.491 1.00 0.00 C ATOM 1225 NE ARG B 44 4.263 9.991 -3.126 1.00 0.00 N ATOM 1226 CZ ARG B 44 4.346 11.280 -2.797 1.00 0.00 C ATOM 1227 NH1 ARG B 44 4.603 12.197 -3.724 1.00 0.00 N1+ ATOM 1228 NH2 ARG B 44 4.178 11.656 -1.535 1.00 0.00 N ATOM 0 H ARG B 44 -0.494 7.413 -3.277 1.00 0.00 H new ATOM 0 HA ARG B 44 0.866 7.944 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.868 9.665 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.152 8.507 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.874 7.411 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.397 8.143 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.437 9.171 -4.656 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.200 10.287 -5.200 1.00 0.00 H new ATOM 0 HE ARG B 44 4.089 9.317 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG B 44 4.738 11.916 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG B 44 4.665 13.181 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG B 44 3.985 10.958 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.242 12.643 -1.284 1.00 0.00 H new ATOM 1242 N ARG B 45 1.056 5.491 -5.609 1.00 0.00 N ATOM 1243 CA ARG B 45 1.114 4.039 -5.500 1.00 0.00 C ATOM 1244 C ARG B 45 2.549 3.573 -5.266 1.00 0.00 C ATOM 1245 O ARG B 45 3.358 3.556 -6.190 1.00 0.00 O ATOM 1246 CB ARG B 45 0.548 3.391 -6.766 1.00 0.00 C ATOM 1247 CG ARG B 45 0.370 1.889 -6.651 1.00 0.00 C ATOM 1248 CD ARG B 45 -0.052 1.262 -7.969 1.00 0.00 C ATOM 1249 NE ARG B 45 -0.300 -0.176 -7.835 1.00 0.00 N ATOM 1250 CZ ARG B 45 0.252 -1.113 -8.615 1.00 0.00 C ATOM 1251 NH1 ARG B 45 1.091 -0.776 -9.585 1.00 0.00 N1+ ATOM 1252 NH2 ARG B 45 -0.033 -2.395 -8.422 1.00 0.00 N ATOM 0 H ARG B 45 0.867 5.842 -6.548 1.00 0.00 H new ATOM 0 HA ARG B 45 0.509 3.734 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -0.415 3.846 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG B 45 1.212 3.607 -7.603 1.00 0.00 H new ATOM 0 HG2 ARG B 45 1.305 1.438 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.379 1.670 -5.890 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.954 1.754 -8.333 1.00 0.00 H new ATOM 0 HD3 ARG B 45 0.725 1.429 -8.715 1.00 0.00 H new ATOM 0 HE ARG B 45 -0.935 -0.483 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG B 45 1.321 0.205 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG B 45 1.506 -1.498 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -0.674 -2.668 -7.678 1.00 0.00 H new ATOM 0 HH22 ARG B 45 0.389 -3.107 -9.018 1.00 0.00 H new ATOM 1266 N LEU B 46 2.859 3.202 -4.030 1.00 0.00 N ATOM 1267 CA LEU B 46 4.200 2.758 -3.686 1.00 0.00 C ATOM 1268 C LEU B 46 4.349 1.274 -3.973 1.00 0.00 C ATOM 1269 O LEU B 46 3.819 0.436 -3.243 1.00 0.00 O ATOM 1270 CB LEU B 46 4.504 3.009 -2.209 1.00 0.00 C ATOM 1271 CG LEU B 46 5.972 2.821 -1.812 1.00 0.00 C ATOM 1272 CD1 LEU B 46 6.758 4.098 -2.059 1.00 0.00 C ATOM 1273 CD2 LEU B 46 6.096 2.376 -0.361 1.00 0.00 C ATOM 0 H LEU B 46 2.200 3.200 -3.252 1.00 0.00 H new ATOM 0 HA LEU B 46 4.903 3.328 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU B 46 4.202 4.026 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU B 46 3.891 2.338 -1.608 1.00 0.00 H new ATOM 0 HG LEU B 46 6.394 2.033 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU B 46 7.798 3.946 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU B 46 6.708 4.357 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU B 46 6.332 4.908 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU B 46 7.149 2.251 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU B 46 5.653 3.130 0.290 1.00 0.00 H new ATOM 0 HD23 LEU B 46 5.575 1.428 -0.225 1.00 0.00 H new ATOM 1285 N VAL B 47 5.055 0.952 -5.038 1.00 0.00 N ATOM 1286 CA VAL B 47 5.311 -0.432 -5.382 1.00 0.00 C ATOM 1287 C VAL B 47 6.807 -0.719 -5.323 1.00 0.00 C ATOM 1288 O VAL B 47 7.596 -0.136 -6.068 1.00 0.00 O ATOM 1289 CB VAL B 47 4.737 -0.795 -6.775 1.00 0.00 C ATOM 1290 CG1 VAL B 47 3.218 -0.825 -6.727 1.00 0.00 C ATOM 1291 CG2 VAL B 47 5.195 0.189 -7.841 1.00 0.00 C ATOM 0 H VAL B 47 5.462 1.631 -5.681 1.00 0.00 H new ATOM 0 HA VAL B 47 4.801 -1.058 -4.650 1.00 0.00 H new ATOM 0 HB VAL B 47 5.113 -1.783 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL B 47 2.828 -1.081 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL B 47 2.892 -1.571 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL B 47 2.844 0.155 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.774 -0.096 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.857 1.192 -7.580 1.00 0.00 H new ATOM 0 HG23 VAL B 47 6.283 0.178 -7.903 1.00 0.00 H new ATOM 1301 N ILE B 48 7.206 -1.586 -4.407 1.00 0.00 N ATOM 1302 CA ILE B 48 8.611 -1.905 -4.248 1.00 0.00 C ATOM 1303 C ILE B 48 8.946 -3.189 -4.988 1.00 0.00 C ATOM 1304 O ILE B 48 8.179 -4.151 -4.970 1.00 0.00 O ATOM 1305 CB ILE B 48 9.021 -2.040 -2.762 1.00 0.00 C ATOM 1306 CG1 ILE B 48 8.531 -0.828 -1.962 1.00 0.00 C ATOM 1307 CG2 ILE B 48 10.539 -2.176 -2.641 1.00 0.00 C ATOM 1308 CD1 ILE B 48 8.808 -0.925 -0.476 1.00 0.00 C ATOM 0 H ILE B 48 6.581 -2.077 -3.768 1.00 0.00 H new ATOM 0 HA ILE B 48 9.175 -1.074 -4.672 1.00 0.00 H new ATOM 0 HB ILE B 48 8.557 -2.938 -2.353 1.00 0.00 H new ATOM 0 HG12 ILE B 48 9.008 0.071 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE B 48 7.458 -0.712 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE B 48 10.813 -2.270 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE B 48 10.869 -3.062 -3.183 1.00 0.00 H new ATOM 0 HG23 ILE B 48 11.018 -1.293 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE B 48 8.433 -0.032 0.023 1.00 0.00 H new ATOM 0 HD12 ILE B 48 8.309 -1.804 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE B 48 9.882 -1.009 -0.311 1.00 0.00 H new ATOM 1320 N THR B 49 10.079 -3.180 -5.661 1.00 0.00 N ATOM 1321 CA THR B 49 10.556 -4.341 -6.384 1.00 0.00 C ATOM 1322 C THR B 49 11.733 -4.972 -5.631 1.00 0.00 C ATOM 1323 O THR B 49 12.888 -4.610 -5.855 1.00 0.00 O ATOM 1324 CB THR B 49 10.966 -3.940 -7.820 1.00 0.00 C ATOM 1325 OG1 THR B 49 9.844 -3.338 -8.482 1.00 0.00 O ATOM 1326 CG2 THR B 49 11.438 -5.146 -8.621 1.00 0.00 C ATOM 0 H THR B 49 10.694 -2.369 -5.722 1.00 0.00 H new ATOM 0 HA THR B 49 9.757 -5.079 -6.454 1.00 0.00 H new ATOM 0 HB THR B 49 11.792 -3.232 -7.754 1.00 0.00 H new ATOM 0 HG1 THR B 49 10.101 -3.081 -9.392 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.718 -4.829 -9.625 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.300 -5.595 -8.128 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.633 -5.879 -8.683 1.00 0.00 H new ATOM 1334 N PRO B 50 11.441 -5.903 -4.696 1.00 0.00 N ATOM 1335 CA PRO B 50 12.457 -6.504 -3.821 1.00 0.00 C ATOM 1336 C PRO B 50 13.506 -7.313 -4.580 1.00 0.00 C ATOM 1337 O PRO B 50 13.184 -8.253 -5.309 1.00 0.00 O ATOM 1338 CB PRO B 50 11.654 -7.420 -2.892 1.00 0.00 C ATOM 1339 CG PRO B 50 10.369 -7.668 -3.601 1.00 0.00 C ATOM 1340 CD PRO B 50 10.096 -6.437 -4.416 1.00 0.00 C ATOM 0 HA PRO B 50 13.024 -5.733 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO B 50 12.186 -8.353 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO B 50 11.485 -6.948 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO B 50 10.440 -8.549 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO B 50 9.562 -7.852 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO B 50 9.560 -6.675 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO B 50 9.486 -5.720 -3.867 1.00 0.00 H new ATOM 1348 N VAL B 51 14.765 -6.944 -4.390 1.00 0.00 N ATOM 1349 CA VAL B 51 15.870 -7.625 -5.052 1.00 0.00 C ATOM 1350 C VAL B 51 16.703 -8.417 -4.047 1.00 0.00 C ATOM 1351 O VAL B 51 17.568 -9.205 -4.426 1.00 0.00 O ATOM 1352 CB VAL B 51 16.784 -6.631 -5.796 1.00 0.00 C ATOM 1353 CG1 VAL B 51 15.991 -5.834 -6.820 1.00 0.00 C ATOM 1354 CG2 VAL B 51 17.487 -5.709 -4.815 1.00 0.00 C ATOM 0 H VAL B 51 15.047 -6.175 -3.782 1.00 0.00 H new ATOM 0 HA VAL B 51 15.432 -8.309 -5.779 1.00 0.00 H new ATOM 0 HB VAL B 51 17.546 -7.200 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL B 51 16.655 -5.139 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL B 51 15.547 -6.515 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL B 51 15.202 -5.276 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL B 51 18.127 -5.016 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL B 51 16.745 -5.147 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL B 51 18.095 -6.301 -4.131 1.00 0.00 H new ATOM 1364 N ASP B 52 16.436 -8.201 -2.763 1.00 0.00 N ATOM 1365 CA ASP B 52 17.143 -8.911 -1.701 1.00 0.00 C ATOM 1366 C ASP B 52 16.194 -9.852 -0.979 1.00 0.00 C ATOM 1367 O ASP B 52 16.210 -9.948 0.250 1.00 0.00 O ATOM 1368 CB ASP B 52 17.758 -7.938 -0.686 1.00 0.00 C ATOM 1369 CG ASP B 52 18.903 -7.119 -1.245 1.00 0.00 C ATOM 1370 OD1 ASP B 52 19.938 -7.710 -1.623 1.00 0.00 O1- ATOM 1371 OD2 ASP B 52 18.784 -5.878 -1.295 1.00 0.00 O ATOM 0 H ASP B 52 15.734 -7.539 -2.432 1.00 0.00 H new ATOM 0 HA ASP B 52 17.948 -9.480 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP B 52 16.981 -7.263 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP B 52 18.114 -8.503 0.176 1.00 0.00 H new ATOM 1376 N GLY B 53 15.357 -10.530 -1.745 1.00 0.00 N ATOM 1377 CA GLY B 53 14.400 -11.449 -1.168 1.00 0.00 C ATOM 1378 C GLY B 53 13.077 -11.423 -1.903 1.00 0.00 C ATOM 1379 O GLY B 53 12.678 -10.390 -2.438 1.00 0.00 O ATOM 0 H GLY B 53 15.323 -10.460 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY B 53 14.808 -12.459 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY B 53 14.238 -11.194 -0.121 1.00 0.00 H new ATOM 1383 N SER B 54 12.396 -12.557 -1.929 1.00 0.00 N ATOM 1384 CA SER B 54 11.128 -12.673 -2.629 1.00 0.00 C ATOM 1385 C SER B 54 9.963 -12.336 -1.702 1.00 0.00 C ATOM 1386 O SER B 54 9.122 -13.184 -1.391 1.00 0.00 O ATOM 1387 CB SER B 54 10.985 -14.085 -3.204 1.00 0.00 C ATOM 1388 OG SER B 54 11.610 -15.043 -2.360 1.00 0.00 O ATOM 0 H SER B 54 12.703 -13.415 -1.470 1.00 0.00 H new ATOM 0 HA SER B 54 11.109 -11.957 -3.451 1.00 0.00 H new ATOM 0 HB2 SER B 54 9.929 -14.330 -3.319 1.00 0.00 H new ATOM 0 HB3 SER B 54 11.431 -14.124 -4.198 1.00 0.00 H new ATOM 0 HG SER B 54 11.176 -15.037 -1.481 1.00 0.00 H new ATOM 1394 N ASP B 55 9.927 -11.090 -1.255 1.00 0.00 N ATOM 1395 CA ASP B 55 8.868 -10.613 -0.375 1.00 0.00 C ATOM 1396 C ASP B 55 8.214 -9.369 -0.951 1.00 0.00 C ATOM 1397 O ASP B 55 8.666 -8.260 -0.697 1.00 0.00 O ATOM 1398 CB ASP B 55 9.417 -10.302 1.020 1.00 0.00 C ATOM 1399 CG ASP B 55 9.564 -11.542 1.880 1.00 0.00 C ATOM 1400 OD1 ASP B 55 8.567 -11.961 2.507 1.00 0.00 O1- ATOM 1401 OD2 ASP B 55 10.680 -12.108 1.937 1.00 0.00 O ATOM 0 H ASP B 55 10.625 -10.384 -1.489 1.00 0.00 H new ATOM 0 HA ASP B 55 8.123 -11.404 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP B 55 10.387 -9.814 0.924 1.00 0.00 H new ATOM 0 HB3 ASP B 55 8.753 -9.596 1.518 1.00 0.00 H new ATOM 1406 N PRO B 56 7.147 -9.537 -1.744 1.00 0.00 N ATOM 1407 CA PRO B 56 6.426 -8.415 -2.353 1.00 0.00 C ATOM 1408 C PRO B 56 5.765 -7.521 -1.310 1.00 0.00 C ATOM 1409 O PRO B 56 5.177 -8.011 -0.341 1.00 0.00 O ATOM 1410 CB PRO B 56 5.353 -9.090 -3.218 1.00 0.00 C ATOM 1411 CG PRO B 56 5.804 -10.502 -3.370 1.00 0.00 C ATOM 1412 CD PRO B 56 6.556 -10.830 -2.115 1.00 0.00 C ATOM 0 HA PRO B 56 7.098 -7.766 -2.915 1.00 0.00 H new ATOM 0 HB2 PRO B 56 4.374 -9.039 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO B 56 5.262 -8.599 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO B 56 4.954 -11.171 -3.502 1.00 0.00 H new ATOM 0 HG3 PRO B 56 6.440 -10.617 -4.248 1.00 0.00 H new ATOM 0 HD2 PRO B 56 5.896 -11.212 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO B 56 7.319 -11.589 -2.287 1.00 0.00 H new ATOM 1420 N TYR B 57 5.861 -6.214 -1.508 1.00 0.00 N ATOM 1421 CA TYR B 57 5.213 -5.263 -0.622 1.00 0.00 C ATOM 1422 C TYR B 57 4.844 -4.000 -1.380 1.00 0.00 C ATOM 1423 O TYR B 57 5.709 -3.209 -1.773 1.00 0.00 O ATOM 1424 CB TYR B 57 6.099 -4.913 0.574 1.00 0.00 C ATOM 1425 CG TYR B 57 5.432 -3.971 1.553 1.00 0.00 C ATOM 1426 CD1 TYR B 57 4.307 -4.365 2.270 1.00 0.00 C ATOM 1427 CD2 TYR B 57 5.919 -2.687 1.754 1.00 0.00 C ATOM 1428 CE1 TYR B 57 3.691 -3.505 3.161 1.00 0.00 C ATOM 1429 CE2 TYR B 57 5.308 -1.823 2.643 1.00 0.00 C ATOM 1430 CZ TYR B 57 4.196 -2.237 3.344 1.00 0.00 C ATOM 1431 OH TYR B 57 3.585 -1.376 4.229 1.00 0.00 O ATOM 0 H TYR B 57 6.382 -5.790 -2.275 1.00 0.00 H new ATOM 0 HA TYR B 57 4.306 -5.733 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR B 57 6.376 -5.830 1.093 1.00 0.00 H new ATOM 0 HB3 TYR B 57 7.022 -4.459 0.214 1.00 0.00 H new ATOM 0 HD1 TYR B 57 3.908 -5.359 2.129 1.00 0.00 H new ATOM 0 HD2 TYR B 57 6.790 -2.358 1.207 1.00 0.00 H new ATOM 0 HE1 TYR B 57 2.818 -3.826 3.710 1.00 0.00 H new ATOM 0 HE2 TYR B 57 5.700 -0.827 2.788 1.00 0.00 H new ATOM 0 HH TYR B 57 3.961 -0.477 4.123 1.00 0.00 H new ATOM 1441 N GLU B 58 3.553 -3.828 -1.577 1.00 0.00 N ATOM 1442 CA GLU B 58 3.016 -2.667 -2.249 1.00 0.00 C ATOM 1443 C GLU B 58 1.973 -2.013 -1.347 1.00 0.00 C ATOM 1444 O GLU B 58 1.085 -2.697 -0.835 1.00 0.00 O ATOM 1445 CB GLU B 58 2.379 -3.072 -3.587 1.00 0.00 C ATOM 1446 CG GLU B 58 3.357 -3.581 -4.645 1.00 0.00 C ATOM 1447 CD GLU B 58 3.839 -5.005 -4.418 1.00 0.00 C ATOM 1448 OE1 GLU B 58 3.020 -5.939 -4.513 1.00 0.00 O1- ATOM 1449 OE2 GLU B 58 5.045 -5.197 -4.163 1.00 0.00 O ATOM 0 H GLU B 58 2.844 -4.495 -1.273 1.00 0.00 H new ATOM 0 HA GLU B 58 3.820 -1.960 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU B 58 1.637 -3.848 -3.398 1.00 0.00 H new ATOM 0 HB3 GLU B 58 1.845 -2.212 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU B 58 2.879 -3.523 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU B 58 4.221 -2.917 -4.673 1.00 0.00 H new ATOM 1456 N GLU B 59 2.076 -0.706 -1.134 1.00 0.00 N ATOM 1457 CA GLU B 59 1.162 -0.034 -0.216 1.00 0.00 C ATOM 1458 C GLU B 59 0.727 1.334 -0.739 1.00 0.00 C ATOM 1459 O GLU B 59 1.179 1.798 -1.789 1.00 0.00 O ATOM 1460 CB GLU B 59 1.795 0.121 1.170 1.00 0.00 C ATOM 1461 CG GLU B 59 2.874 1.186 1.251 1.00 0.00 C ATOM 1462 CD GLU B 59 3.176 1.578 2.680 1.00 0.00 C ATOM 1463 OE1 GLU B 59 2.439 2.424 3.237 1.00 0.00 O ATOM 1464 OE2 GLU B 59 4.135 1.036 3.259 1.00 0.00 O1- ATOM 0 H GLU B 59 2.768 -0.100 -1.574 1.00 0.00 H new ATOM 0 HA GLU B 59 0.276 -0.664 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU B 59 1.011 0.359 1.889 1.00 0.00 H new ATOM 0 HB3 GLU B 59 2.223 -0.836 1.470 1.00 0.00 H new ATOM 0 HG2 GLU B 59 3.783 0.818 0.776 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.557 2.067 0.693 1.00 0.00 H new ATOM 1471 N MET B 60 -0.150 1.973 0.026 1.00 0.00 N ATOM 1472 CA MET B 60 -0.766 3.230 -0.366 1.00 0.00 C ATOM 1473 C MET B 60 -0.039 4.399 0.277 1.00 0.00 C ATOM 1474 O MET B 60 -0.372 4.806 1.391 1.00 0.00 O ATOM 1475 CB MET B 60 -2.233 3.234 0.073 1.00 0.00 C ATOM 1476 CG MET B 60 -3.034 4.440 -0.387 1.00 0.00 C ATOM 1477 SD MET B 60 -3.839 4.145 -1.967 1.00 0.00 S ATOM 1478 CE MET B 60 -4.893 2.766 -1.520 1.00 0.00 C ATOM 0 H MET B 60 -0.453 1.631 0.938 1.00 0.00 H new ATOM 0 HA MET B 60 -0.704 3.333 -1.449 1.00 0.00 H new ATOM 0 HB2 MET B 60 -2.713 2.331 -0.305 1.00 0.00 H new ATOM 0 HB3 MET B 60 -2.272 3.184 1.161 1.00 0.00 H new ATOM 0 HG2 MET B 60 -3.786 4.685 0.364 1.00 0.00 H new ATOM 0 HG3 MET B 60 -2.374 5.304 -0.471 1.00 0.00 H new ATOM 0 HE1 MET B 60 -5.795 2.784 -2.132 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.359 1.831 -1.688 1.00 0.00 H new ATOM 0 HE3 MET B 60 -5.167 2.844 -0.468 1.00 0.00 H new ATOM 1488 N ILE B 61 0.957 4.930 -0.413 1.00 0.00 N ATOM 1489 CA ILE B 61 1.676 6.092 0.076 1.00 0.00 C ATOM 1490 C ILE B 61 1.004 7.358 -0.419 1.00 0.00 C ATOM 1491 O ILE B 61 1.054 7.676 -1.595 1.00 0.00 O ATOM 1492 CB ILE B 61 3.158 6.080 -0.360 1.00 0.00 C ATOM 1493 CG1 ILE B 61 3.931 5.007 0.408 1.00 0.00 C ATOM 1494 CG2 ILE B 61 3.801 7.447 -0.154 1.00 0.00 C ATOM 1495 CD1 ILE B 61 4.051 5.270 1.894 1.00 0.00 C ATOM 0 H ILE B 61 1.285 4.575 -1.311 1.00 0.00 H new ATOM 0 HA ILE B 61 1.652 6.062 1.165 1.00 0.00 H new ATOM 0 HB ILE B 61 3.195 5.845 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE B 61 3.440 4.045 0.259 1.00 0.00 H new ATOM 0 HG13 ILE B 61 4.931 4.923 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE B 61 4.844 7.410 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE B 61 3.269 8.192 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE B 61 3.750 7.718 0.901 1.00 0.00 H new ATOM 0 HD11 ILE B 61 4.613 4.462 2.362 1.00 0.00 H new ATOM 0 HD12 ILE B 61 4.571 6.214 2.056 1.00 0.00 H new ATOM 0 HD13 ILE B 61 3.056 5.323 2.336 1.00 0.00 H new ATOM 1507 N PRO B 62 0.336 8.083 0.471 1.00 0.00 N ATOM 1508 CA PRO B 62 -0.336 9.331 0.116 1.00 0.00 C ATOM 1509 C PRO B 62 0.641 10.388 -0.396 1.00 0.00 C ATOM 1510 O PRO B 62 1.844 10.334 -0.124 1.00 0.00 O ATOM 1511 CB PRO B 62 -0.955 9.786 1.434 1.00 0.00 C ATOM 1512 CG PRO B 62 -1.019 8.565 2.282 1.00 0.00 C ATOM 1513 CD PRO B 62 0.164 7.742 1.891 1.00 0.00 C ATOM 0 HA PRO B 62 -1.058 9.189 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO B 62 -0.350 10.561 1.905 1.00 0.00 H new ATOM 0 HB3 PRO B 62 -1.948 10.208 1.277 1.00 0.00 H new ATOM 0 HG2 PRO B 62 -0.986 8.821 3.341 1.00 0.00 H new ATOM 0 HG3 PRO B 62 -1.948 8.020 2.115 1.00 0.00 H new ATOM 0 HD2 PRO B 62 1.046 7.996 2.479 1.00 0.00 H new ATOM 0 HD3 PRO B 62 -0.018 6.677 2.033 1.00 0.00 H new ATOM 1521 N LYS B 63 0.108 11.354 -1.133 1.00 0.00 N ATOM 1522 CA LYS B 63 0.907 12.437 -1.692 1.00 0.00 C ATOM 1523 C LYS B 63 1.411 13.337 -0.565 1.00 0.00 C ATOM 1524 O LYS B 63 2.421 14.022 -0.702 1.00 0.00 O ATOM 1525 CB LYS B 63 0.053 13.242 -2.679 1.00 0.00 C ATOM 1526 CG LYS B 63 0.778 13.654 -3.956 1.00 0.00 C ATOM 1527 CD LYS B 63 1.875 14.678 -3.701 1.00 0.00 C ATOM 1528 CE LYS B 63 1.317 15.989 -3.163 1.00 0.00 C ATOM 1529 NZ LYS B 63 0.335 16.610 -4.093 1.00 0.00 N1+ ATOM 0 H LYS B 63 -0.885 11.409 -1.359 1.00 0.00 H new ATOM 0 HA LYS B 63 1.766 12.026 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -0.822 12.651 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -0.310 14.139 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS B 63 1.212 12.771 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS B 63 0.057 14.067 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS B 63 2.593 14.270 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS B 63 2.417 14.868 -4.628 1.00 0.00 H new ATOM 0 HE2 LYS B 63 0.839 15.810 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS B 63 2.137 16.685 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 0.150 17.590 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 0.721 16.605 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -0.553 16.069 -4.072 1.00 0.00 H new ATOM 1543 N TRP B 64 0.705 13.302 0.558 1.00 0.00 N ATOM 1544 CA TRP B 64 1.067 14.090 1.735 1.00 0.00 C ATOM 1545 C TRP B 64 1.963 13.290 2.677 1.00 0.00 C ATOM 1546 O TRP B 64 2.213 13.695 3.811 1.00 0.00 O ATOM 1547 CB TRP B 64 -0.191 14.575 2.472 1.00 0.00 C ATOM 1548 CG TRP B 64 -1.375 13.660 2.335 1.00 0.00 C ATOM 1549 CD1 TRP B 64 -2.317 13.691 1.344 1.00 0.00 C ATOM 1550 CD2 TRP B 64 -1.754 12.587 3.211 1.00 0.00 C ATOM 1551 NE1 TRP B 64 -3.247 12.703 1.545 1.00 0.00 N ATOM 1552 CE2 TRP B 64 -2.928 12.014 2.682 1.00 0.00 C ATOM 1553 CE3 TRP B 64 -1.217 12.051 4.386 1.00 0.00 C ATOM 1554 CZ2 TRP B 64 -3.570 10.935 3.285 1.00 0.00 C ATOM 1555 CZ3 TRP B 64 -1.857 10.978 4.982 1.00 0.00 C ATOM 1556 CH2 TRP B 64 -3.021 10.430 4.430 1.00 0.00 C ATOM 0 H TRP B 64 -0.131 12.731 0.681 1.00 0.00 H new ATOM 0 HA TRP B 64 1.626 14.962 1.395 1.00 0.00 H new ATOM 0 HB2 TRP B 64 0.044 14.692 3.530 1.00 0.00 H new ATOM 0 HB3 TRP B 64 -0.462 15.561 2.095 1.00 0.00 H new ATOM 0 HD1 TRP B 64 -2.327 14.392 0.522 1.00 0.00 H new ATOM 0 HE1 TRP B 64 -4.048 12.513 0.943 1.00 0.00 H new ATOM 0 HE3 TRP B 64 -0.320 12.467 4.820 1.00 0.00 H new ATOM 0 HZ2 TRP B 64 -4.470 10.512 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP B 64 -1.451 10.556 5.889 1.00 0.00 H new ATOM 0 HH2 TRP B 64 -3.495 9.591 4.919 1.00 0.00 H new ATOM 1567 N ARG B 65 2.449 12.157 2.193 1.00 0.00 N ATOM 1568 CA ARG B 65 3.345 11.305 2.963 1.00 0.00 C ATOM 1569 C ARG B 65 4.795 11.577 2.593 1.00 0.00 C ATOM 1570 O ARG B 65 5.129 11.722 1.415 1.00 0.00 O ATOM 1571 CB ARG B 65 3.006 9.831 2.713 1.00 0.00 C ATOM 1572 CG ARG B 65 4.033 8.842 3.251 1.00 0.00 C ATOM 1573 CD ARG B 65 4.170 8.933 4.766 1.00 0.00 C ATOM 1574 NE ARG B 65 4.895 7.793 5.331 1.00 0.00 N ATOM 1575 CZ ARG B 65 4.967 7.526 6.638 1.00 0.00 C ATOM 1576 NH1 ARG B 65 4.393 8.338 7.521 1.00 0.00 N1+ ATOM 1577 NH2 ARG B 65 5.614 6.448 7.061 1.00 0.00 N ATOM 0 H ARG B 65 2.235 11.803 1.261 1.00 0.00 H new ATOM 0 HA ARG B 65 3.212 11.529 4.021 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.039 9.613 3.166 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.898 9.674 1.640 1.00 0.00 H new ATOM 0 HG2 ARG B 65 3.742 7.829 2.973 1.00 0.00 H new ATOM 0 HG3 ARG B 65 5.000 9.034 2.787 1.00 0.00 H new ATOM 0 HD2 ARG B 65 4.689 9.855 5.026 1.00 0.00 H new ATOM 0 HD3 ARG B 65 3.178 8.988 5.215 1.00 0.00 H new ATOM 0 HE ARG B 65 5.375 7.164 4.687 1.00 0.00 H new ATOM 0 HH11 ARG B 65 3.895 9.169 7.201 1.00 0.00 H new ATOM 0 HH12 ARG B 65 4.451 8.130 8.518 1.00 0.00 H new ATOM 0 HH21 ARG B 65 6.057 5.822 6.388 1.00 0.00 H new ATOM 0 HH22 ARG B 65 5.669 6.245 8.059 1.00 0.00 H new ATOM 1591 N GLN B 66 5.642 11.646 3.611 1.00 0.00 N ATOM 1592 CA GLN B 66 7.073 11.780 3.415 1.00 0.00 C ATOM 1593 C GLN B 66 7.627 10.490 2.821 1.00 0.00 C ATOM 1594 O GLN B 66 7.395 9.398 3.345 1.00 0.00 O ATOM 1595 CB GLN B 66 7.758 12.100 4.749 1.00 0.00 C ATOM 1596 CG GLN B 66 9.273 12.183 4.662 1.00 0.00 C ATOM 1597 CD GLN B 66 9.746 13.281 3.731 1.00 0.00 C ATOM 1598 OE1 GLN B 66 9.928 13.062 2.535 1.00 0.00 O ATOM 1599 NE2 GLN B 66 9.945 14.472 4.268 1.00 0.00 N ATOM 0 H GLN B 66 5.356 11.611 4.589 1.00 0.00 H new ATOM 0 HA GLN B 66 7.271 12.599 2.724 1.00 0.00 H new ATOM 0 HB2 GLN B 66 7.373 13.048 5.125 1.00 0.00 H new ATOM 0 HB3 GLN B 66 7.488 11.335 5.477 1.00 0.00 H new ATOM 0 HG2 GLN B 66 9.681 12.356 5.658 1.00 0.00 H new ATOM 0 HG3 GLN B 66 9.666 11.226 4.318 1.00 0.00 H new ATOM 0 HE21 GLN B 66 9.783 14.615 5.265 1.00 0.00 H new ATOM 0 HE22 GLN B 66 10.260 15.248 3.686 1.00 0.00 H new ATOM 1608 N LEU B 67 8.342 10.626 1.721 1.00 0.00 N ATOM 1609 CA LEU B 67 8.818 9.480 0.965 1.00 0.00 C ATOM 1610 C LEU B 67 10.217 9.071 1.370 1.00 0.00 C ATOM 1611 O LEU B 67 11.015 9.887 1.836 1.00 0.00 O ATOM 1612 CB LEU B 67 8.808 9.807 -0.519 1.00 0.00 C ATOM 1613 CG LEU B 67 7.430 9.855 -1.155 1.00 0.00 C ATOM 1614 CD1 LEU B 67 7.497 10.617 -2.469 1.00 0.00 C ATOM 1615 CD2 LEU B 67 6.913 8.447 -1.386 1.00 0.00 C ATOM 0 H LEU B 67 8.609 11.528 1.327 1.00 0.00 H new ATOM 0 HA LEU B 67 8.148 8.648 1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 67 9.294 10.771 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU B 67 9.408 9.064 -1.044 1.00 0.00 H new ATOM 0 HG LEU B 67 6.743 10.370 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU B 67 6.506 10.649 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU B 67 7.844 11.633 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU B 67 8.189 10.116 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU B 67 5.924 8.493 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU B 67 7.594 7.913 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU B 67 6.849 7.922 -0.433 1.00 0.00 H new ATOM 1627 N ASN B 68 10.505 7.794 1.168 1.00 0.00 N ATOM 1628 CA ASN B 68 11.832 7.261 1.400 1.00 0.00 C ATOM 1629 C ASN B 68 12.767 7.704 0.281 1.00 0.00 C ATOM 1630 O ASN B 68 13.912 8.076 0.528 1.00 0.00 O ATOM 1631 CB ASN B 68 11.789 5.726 1.523 1.00 0.00 C ATOM 1632 CG ASN B 68 10.857 5.054 0.521 1.00 0.00 C ATOM 1633 OD1 ASN B 68 10.661 5.529 -0.593 1.00 0.00 O ATOM 1634 ND2 ASN B 68 10.256 3.945 0.925 1.00 0.00 N ATOM 0 H ASN B 68 9.828 7.105 0.841 1.00 0.00 H new ATOM 0 HA ASN B 68 12.214 7.652 2.343 1.00 0.00 H new ATOM 0 HB2 ASN B 68 12.796 5.332 1.389 1.00 0.00 H new ATOM 0 HB3 ASN B 68 11.474 5.460 2.532 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.609 3.460 0.303 1.00 0.00 H new ATOM 0 HD22 ASN B 68 10.441 3.576 1.858 1.00 0.00 H new ATOM 1641 N VAL B 69 12.264 7.672 -0.943 1.00 0.00 N ATOM 1642 CA VAL B 69 13.000 8.144 -2.101 1.00 0.00 C ATOM 1643 C VAL B 69 12.047 8.213 -3.300 1.00 0.00 C ATOM 1644 O VAL B 69 10.864 7.889 -3.165 1.00 0.00 O ATOM 1645 CB VAL B 69 14.214 7.226 -2.392 1.00 0.00 C ATOM 1646 CG1 VAL B 69 13.762 5.894 -2.955 1.00 0.00 C ATOM 1647 CG2 VAL B 69 15.231 7.896 -3.308 1.00 0.00 C ATOM 0 H VAL B 69 11.333 7.317 -1.160 1.00 0.00 H new ATOM 0 HA VAL B 69 13.395 9.141 -1.905 1.00 0.00 H new ATOM 0 HB VAL B 69 14.716 7.041 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.632 5.268 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL B 69 13.112 5.397 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL B 69 13.216 6.058 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL B 69 16.065 7.216 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.757 8.144 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL B 69 15.600 8.808 -2.837 1.00 0.00 H new ATOM 1657 N PHE B 70 12.541 8.643 -4.453 1.00 0.00 N ATOM 1658 CA PHE B 70 11.726 8.712 -5.659 1.00 0.00 C ATOM 1659 C PHE B 70 11.570 7.331 -6.289 1.00 0.00 C ATOM 1660 O PHE B 70 12.107 6.343 -5.788 1.00 0.00 O ATOM 1661 CB PHE B 70 12.340 9.685 -6.663 1.00 0.00 C ATOM 1662 CG PHE B 70 12.450 11.088 -6.140 1.00 0.00 C ATOM 1663 CD1 PHE B 70 11.313 11.843 -5.907 1.00 0.00 C ATOM 1664 CD2 PHE B 70 13.689 11.651 -5.886 1.00 0.00 C ATOM 1665 CE1 PHE B 70 11.409 13.135 -5.429 1.00 0.00 C ATOM 1666 CE2 PHE B 70 13.792 12.943 -5.407 1.00 0.00 C ATOM 1667 CZ PHE B 70 12.650 13.686 -5.178 1.00 0.00 C ATOM 0 H PHE B 70 13.505 8.950 -4.579 1.00 0.00 H new ATOM 0 HA PHE B 70 10.737 9.075 -5.380 1.00 0.00 H new ATOM 0 HB2 PHE B 70 13.332 9.330 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE B 70 11.736 9.689 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.340 11.417 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE B 70 14.585 11.074 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.515 13.714 -5.252 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.764 13.371 -5.212 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.728 14.696 -4.803 1.00 0.00 H new ATOM 1677 N GLU B 71 10.831 7.264 -7.387 1.00 0.00 N ATOM 1678 CA GLU B 71 10.528 5.989 -8.016 1.00 0.00 C ATOM 1679 C GLU B 71 11.683 5.490 -8.879 1.00 0.00 C ATOM 1680 O GLU B 71 12.482 6.276 -9.395 1.00 0.00 O ATOM 1681 CB GLU B 71 9.254 6.089 -8.850 1.00 0.00 C ATOM 1682 CG GLU B 71 9.340 7.060 -10.015 1.00 0.00 C ATOM 1683 CD GLU B 71 8.113 7.003 -10.902 1.00 0.00 C ATOM 1684 OE1 GLU B 71 8.038 6.097 -11.759 1.00 0.00 O ATOM 1685 OE2 GLU B 71 7.216 7.856 -10.745 1.00 0.00 O1- ATOM 0 H GLU B 71 10.432 8.075 -7.859 1.00 0.00 H new ATOM 0 HA GLU B 71 10.374 5.264 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU B 71 9.008 5.099 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU B 71 8.432 6.392 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.462 8.073 -9.632 1.00 0.00 H new ATOM 0 HG3 GLU B 71 10.226 6.834 -10.609 1.00 0.00 H new ATOM 1692 N GLY B 72 11.760 4.170 -9.019 1.00 0.00 N ATOM 1693 CA GLY B 72 12.812 3.544 -9.793 1.00 0.00 C ATOM 1694 C GLY B 72 14.161 3.714 -9.133 1.00 0.00 C ATOM 1695 O GLY B 72 15.193 3.736 -9.801 1.00 0.00 O ATOM 0 H GLY B 72 11.099 3.515 -8.601 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.595 2.482 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.837 3.978 -10.792 1.00 0.00 H new ATOM 1699 N GLU B 73 14.144 3.827 -7.815 1.00 0.00 N ATOM 1700 CA GLU B 73 15.350 4.060 -7.044 1.00 0.00 C ATOM 1701 C GLU B 73 15.674 2.853 -6.170 1.00 0.00 C ATOM 1702 O GLU B 73 14.779 2.138 -5.715 1.00 0.00 O ATOM 1703 CB GLU B 73 15.177 5.314 -6.188 1.00 0.00 C ATOM 1704 CG GLU B 73 15.205 6.609 -6.989 1.00 0.00 C ATOM 1705 CD GLU B 73 16.565 6.894 -7.591 1.00 0.00 C ATOM 1706 OE1 GLU B 73 17.437 7.431 -6.878 1.00 0.00 O ATOM 1707 OE2 GLU B 73 16.774 6.591 -8.784 1.00 0.00 O1- ATOM 0 H GLU B 73 13.296 3.760 -7.253 1.00 0.00 H new ATOM 0 HA GLU B 73 16.184 4.210 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU B 73 14.231 5.249 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU B 73 15.967 5.344 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU B 73 14.463 6.555 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU B 73 14.917 7.438 -6.342 1.00 0.00 H new ATOM 1714 N ARG B 74 16.959 2.634 -5.950 1.00 0.00 N ATOM 1715 CA ARG B 74 17.432 1.474 -5.213 1.00 0.00 C ATOM 1716 C ARG B 74 17.619 1.789 -3.734 1.00 0.00 C ATOM 1717 O ARG B 74 18.441 2.626 -3.361 1.00 0.00 O ATOM 1718 CB ARG B 74 18.740 0.985 -5.834 1.00 0.00 C ATOM 1719 CG ARG B 74 19.469 -0.077 -5.033 1.00 0.00 C ATOM 1720 CD ARG B 74 18.689 -1.376 -4.985 1.00 0.00 C ATOM 1721 NE ARG B 74 19.496 -2.470 -4.460 1.00 0.00 N ATOM 1722 CZ ARG B 74 19.204 -3.147 -3.356 1.00 0.00 C ATOM 1723 NH1 ARG B 74 18.191 -2.771 -2.589 1.00 0.00 N1+ ATOM 1724 NH2 ARG B 74 19.944 -4.187 -3.010 1.00 0.00 N ATOM 0 H ARG B 74 17.702 3.253 -6.276 1.00 0.00 H new ATOM 0 HA ARG B 74 16.681 0.687 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG B 74 18.528 0.589 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG B 74 19.404 1.839 -5.967 1.00 0.00 H new ATOM 0 HG2 ARG B 74 20.449 -0.257 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG B 74 19.638 0.284 -4.018 1.00 0.00 H new ATOM 0 HD2 ARG B 74 17.803 -1.246 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG B 74 18.341 -1.629 -5.987 1.00 0.00 H new ATOM 0 HE ARG B 74 20.338 -2.732 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG B 74 17.631 -1.958 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG B 74 17.971 -3.295 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG B 74 20.735 -4.466 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG B 74 19.724 -4.710 -2.163 1.00 0.00 H new ATOM 1738 N VAL B 75 16.847 1.105 -2.903 1.00 0.00 N ATOM 1739 CA VAL B 75 16.928 1.269 -1.455 1.00 0.00 C ATOM 1740 C VAL B 75 16.902 -0.088 -0.765 1.00 0.00 C ATOM 1741 O VAL B 75 16.417 -1.069 -1.329 1.00 0.00 O ATOM 1742 CB VAL B 75 15.772 2.131 -0.903 1.00 0.00 C ATOM 1743 CG1 VAL B 75 15.878 3.561 -1.407 1.00 0.00 C ATOM 1744 CG2 VAL B 75 14.425 1.527 -1.274 1.00 0.00 C ATOM 0 H VAL B 75 16.151 0.425 -3.208 1.00 0.00 H new ATOM 0 HA VAL B 75 17.869 1.779 -1.247 1.00 0.00 H new ATOM 0 HB VAL B 75 15.850 2.148 0.184 1.00 0.00 H new ATOM 0 HG11 VAL B 75 15.054 4.150 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL B 75 16.825 3.992 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL B 75 15.832 3.567 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL B 75 13.625 2.150 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL B 75 14.337 1.473 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL B 75 14.348 0.524 -0.854 1.00 0.00 H new ATOM 1754 N GLU B 76 17.431 -0.135 0.447 1.00 0.00 N ATOM 1755 CA GLU B 76 17.454 -1.360 1.232 1.00 0.00 C ATOM 1756 C GLU B 76 16.430 -1.261 2.360 1.00 0.00 C ATOM 1757 O GLU B 76 16.036 -0.161 2.749 1.00 0.00 O ATOM 1758 CB GLU B 76 18.861 -1.588 1.794 1.00 0.00 C ATOM 1759 CG GLU B 76 19.079 -2.979 2.366 1.00 0.00 C ATOM 1760 CD GLU B 76 20.509 -3.214 2.800 1.00 0.00 C ATOM 1761 OE1 GLU B 76 21.369 -3.462 1.929 1.00 0.00 O ATOM 1762 OE2 GLU B 76 20.779 -3.159 4.017 1.00 0.00 O1- ATOM 0 H GLU B 76 17.854 0.668 0.912 1.00 0.00 H new ATOM 0 HA GLU B 76 17.195 -2.208 0.598 1.00 0.00 H new ATOM 0 HB2 GLU B 76 19.590 -1.413 1.003 1.00 0.00 H new ATOM 0 HB3 GLU B 76 19.054 -0.851 2.574 1.00 0.00 H new ATOM 0 HG2 GLU B 76 18.416 -3.125 3.219 1.00 0.00 H new ATOM 0 HG3 GLU B 76 18.804 -3.722 1.618 1.00 0.00 H new ATOM 1769 N ARG B 77 15.999 -2.414 2.867 1.00 0.00 N ATOM 1770 CA ARG B 77 14.985 -2.478 3.910 1.00 0.00 C ATOM 1771 C ARG B 77 15.371 -1.646 5.125 1.00 0.00 C ATOM 1772 O ARG B 77 16.369 -1.922 5.795 1.00 0.00 O ATOM 1773 CB ARG B 77 14.757 -3.927 4.338 1.00 0.00 C ATOM 1774 CG ARG B 77 13.793 -4.059 5.505 1.00 0.00 C ATOM 1775 CD ARG B 77 13.637 -5.501 5.948 1.00 0.00 C ATOM 1776 NE ARG B 77 12.696 -5.624 7.057 1.00 0.00 N ATOM 1777 CZ ARG B 77 12.565 -6.720 7.802 1.00 0.00 C ATOM 1778 NH1 ARG B 77 13.307 -7.790 7.550 1.00 0.00 N1+ ATOM 1779 NH2 ARG B 77 11.686 -6.755 8.792 1.00 0.00 N ATOM 0 H ARG B 77 16.343 -3.326 2.566 1.00 0.00 H new ATOM 0 HA ARG B 77 14.065 -2.067 3.494 1.00 0.00 H new ATOM 0 HB2 ARG B 77 14.372 -4.494 3.490 1.00 0.00 H new ATOM 0 HB3 ARG B 77 15.713 -4.373 4.612 1.00 0.00 H new ATOM 0 HG2 ARG B 77 14.151 -3.459 6.341 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.820 -3.659 5.219 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.292 -6.105 5.109 1.00 0.00 H new ATOM 0 HD3 ARG B 77 14.607 -5.897 6.248 1.00 0.00 H new ATOM 0 HE ARG B 77 12.103 -4.823 7.274 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.980 -7.775 6.784 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.204 -8.628 8.122 1.00 0.00 H new ATOM 0 HH21 ARG B 77 11.105 -5.940 8.987 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.590 -7.597 9.359 1.00 0.00 H new ATOM 1793 N GLY B 78 14.581 -0.615 5.385 1.00 0.00 N ATOM 1794 CA GLY B 78 14.771 0.202 6.562 1.00 0.00 C ATOM 1795 C GLY B 78 15.774 1.310 6.351 1.00 0.00 C ATOM 1796 O GLY B 78 15.533 2.456 6.722 1.00 0.00 O ATOM 0 H GLY B 78 13.802 -0.328 4.792 1.00 0.00 H new ATOM 0 HA2 GLY B 78 13.815 0.635 6.856 1.00 0.00 H new ATOM 0 HA3 GLY B 78 15.102 -0.429 7.387 1.00 0.00 H new ATOM 1800 N ASP B 79 16.894 0.973 5.737 1.00 0.00 N ATOM 1801 CA ASP B 79 17.970 1.930 5.539 1.00 0.00 C ATOM 1802 C ASP B 79 17.680 2.828 4.351 1.00 0.00 C ATOM 1803 O ASP B 79 17.688 2.376 3.205 1.00 0.00 O ATOM 1804 CB ASP B 79 19.304 1.213 5.329 1.00 0.00 C ATOM 1805 CG ASP B 79 19.854 0.611 6.606 1.00 0.00 C ATOM 1806 OD1 ASP B 79 20.420 1.361 7.425 1.00 0.00 O ATOM 1807 OD2 ASP B 79 19.740 -0.620 6.790 1.00 0.00 O1- ATOM 0 H ASP B 79 17.083 0.042 5.366 1.00 0.00 H new ATOM 0 HA ASP B 79 18.037 2.543 6.437 1.00 0.00 H new ATOM 0 HB2 ASP B 79 19.175 0.425 4.587 1.00 0.00 H new ATOM 0 HB3 ASP B 79 20.030 1.917 4.923 1.00 0.00 H new ATOM 1812 N VAL B 80 17.433 4.100 4.632 1.00 0.00 N ATOM 1813 CA VAL B 80 17.190 5.080 3.588 1.00 0.00 C ATOM 1814 C VAL B 80 17.054 6.493 4.165 1.00 0.00 C ATOM 1815 O VAL B 80 17.817 7.385 3.793 1.00 0.00 O ATOM 1816 CB VAL B 80 15.954 4.717 2.719 1.00 0.00 C ATOM 1817 CG1 VAL B 80 14.701 4.529 3.557 1.00 0.00 C ATOM 1818 CG2 VAL B 80 15.732 5.764 1.640 1.00 0.00 C ATOM 0 H VAL B 80 17.396 4.476 5.579 1.00 0.00 H new ATOM 0 HA VAL B 80 18.063 5.063 2.935 1.00 0.00 H new ATOM 0 HB VAL B 80 16.164 3.761 2.239 1.00 0.00 H new ATOM 0 HG11 VAL B 80 13.863 4.277 2.907 1.00 0.00 H new ATOM 0 HG12 VAL B 80 14.860 3.723 4.274 1.00 0.00 H new ATOM 0 HG13 VAL B 80 14.480 5.452 4.092 1.00 0.00 H new ATOM 0 HG21 VAL B 80 14.862 5.492 1.042 1.00 0.00 H new ATOM 0 HG22 VAL B 80 15.563 6.735 2.105 1.00 0.00 H new ATOM 0 HG23 VAL B 80 16.611 5.817 0.998 1.00 0.00 H new ATOM 1828 N ILE B 81 16.103 6.705 5.076 1.00 0.00 N ATOM 1829 CA ILE B 81 15.896 8.033 5.647 1.00 0.00 C ATOM 1830 C ILE B 81 16.060 8.030 7.163 1.00 0.00 C ATOM 1831 O ILE B 81 16.856 8.799 7.706 1.00 0.00 O ATOM 1832 CB ILE B 81 14.492 8.587 5.308 1.00 0.00 C ATOM 1833 CG1 ILE B 81 14.307 8.727 3.795 1.00 0.00 C ATOM 1834 CG2 ILE B 81 14.257 9.929 5.994 1.00 0.00 C ATOM 1835 CD1 ILE B 81 15.281 9.687 3.144 1.00 0.00 C ATOM 0 H ILE B 81 15.473 5.985 5.429 1.00 0.00 H new ATOM 0 HA ILE B 81 16.658 8.673 5.203 1.00 0.00 H new ATOM 0 HB ILE B 81 13.756 7.874 5.680 1.00 0.00 H new ATOM 0 HG12 ILE B 81 14.416 7.746 3.333 1.00 0.00 H new ATOM 0 HG13 ILE B 81 13.290 9.064 3.593 1.00 0.00 H new ATOM 0 HG21 ILE B 81 13.263 10.298 5.740 1.00 0.00 H new ATOM 0 HG22 ILE B 81 14.333 9.804 7.074 1.00 0.00 H new ATOM 0 HG23 ILE B 81 15.007 10.645 5.658 1.00 0.00 H new ATOM 0 HD11 ILE B 81 15.086 9.732 2.072 1.00 0.00 H new ATOM 0 HD12 ILE B 81 15.158 10.680 3.577 1.00 0.00 H new ATOM 0 HD13 ILE B 81 16.301 9.341 3.313 1.00 0.00 H new ATOM 1847 N SER B 82 15.341 7.142 7.842 1.00 0.00 N ATOM 1848 CA SER B 82 15.317 7.143 9.298 1.00 0.00 C ATOM 1849 C SER B 82 14.562 5.935 9.825 1.00 0.00 C ATOM 1850 O SER B 82 13.534 5.538 9.272 1.00 0.00 O ATOM 1851 CB SER B 82 14.668 8.438 9.805 1.00 0.00 C ATOM 1852 OG SER B 82 14.824 8.589 11.207 1.00 0.00 O ATOM 0 H SER B 82 14.770 6.416 7.409 1.00 0.00 H new ATOM 0 HA SER B 82 16.342 7.089 9.664 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.114 9.292 9.295 1.00 0.00 H new ATOM 0 HB3 SER B 82 13.607 8.435 9.555 1.00 0.00 H new ATOM 0 HG SER B 82 14.401 9.425 11.495 1.00 0.00 H new ATOM 1858 N ASP B 83 15.090 5.356 10.892 1.00 0.00 N ATOM 1859 CA ASP B 83 14.485 4.196 11.520 1.00 0.00 C ATOM 1860 C ASP B 83 13.435 4.614 12.529 1.00 0.00 C ATOM 1861 O ASP B 83 13.556 5.653 13.188 1.00 0.00 O ATOM 1862 CB ASP B 83 15.541 3.341 12.219 1.00 0.00 C ATOM 1863 CG ASP B 83 16.326 2.463 11.269 1.00 0.00 C ATOM 1864 OD1 ASP B 83 17.312 2.949 10.674 1.00 0.00 O ATOM 1865 OD2 ASP B 83 15.975 1.273 11.128 1.00 0.00 O1- ATOM 0 H ASP B 83 15.946 5.677 11.344 1.00 0.00 H new ATOM 0 HA ASP B 83 14.012 3.608 10.733 1.00 0.00 H new ATOM 0 HB2 ASP B 83 16.231 3.994 12.754 1.00 0.00 H new ATOM 0 HB3 ASP B 83 15.054 2.713 12.965 1.00 0.00 H new ATOM 1870 N GLY B 84 12.410 3.800 12.634 1.00 0.00 N ATOM 1871 CA GLY B 84 11.356 4.037 13.588 1.00 0.00 C ATOM 1872 C GLY B 84 10.439 2.845 13.694 1.00 0.00 C ATOM 1873 O GLY B 84 9.844 2.632 14.770 1.00 0.00 O ATOM 1874 OXT GLY B 84 10.316 2.104 12.698 1.00 0.00 O ATOM 0 H GLY B 84 12.285 2.963 12.065 1.00 0.00 H new ATOM 0 HA2 GLY B 84 11.788 4.255 14.565 1.00 0.00 H new ATOM 0 HA3 GLY B 84 10.783 4.915 13.290 1.00 0.00 H new TER 1878 GLY B 84