USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1170 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 MET CE :methyl -148:sc= -0.375 (180deg=-1.6!) USER MOD Set 1.2: A 99 TYR OH : rot 118:sc= 0.706 USER MOD Set 2.1: A 38 THR OG1 : rot -77:sc= 0.26 USER MOD Set 2.2: A 41 SER OG : rot -64:sc= -0.156 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.146 (180deg=-0.864) USER MOD Single : A 2 THR OG1 : rot 21:sc= 0.384 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 21 GLN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 28 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.27) USER MOD Single : A 31 SER OG : rot -70:sc= -0.563 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0686 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 0.305 (180deg=0.138) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.0315 (180deg=-0.427) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 3:sc= 0.889 USER MOD Single : A 81 TYR OH : rot 138:sc= 0.245 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 87 CYS SG : rot -90:sc= -12.7! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.323) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 85:sc= 0.107 USER MOD Single : A 106 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.4) USER MOD Single : A 109 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5.3!) USER MOD Single : A 110 ASN : amide:sc= -1.2! C(o=-1.2!,f=-6.8!) USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= -0.0577 (180deg=-0.565) USER MOD Single : A 112 GLN : amide:sc= -0.681 K(o=-0.68,f=0.43) USER MOD Single : A 117 LYS NZ :NH3+ 147:sc= -0.242 (180deg=-1.03) USER MOD Single : A 118 SER OG : rot -62:sc= 1.22 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.52) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 THR OG1 : rot 93:sc= 0.182 USER MOD Single : A 130 LYS NZ :NH3+ -107:sc= -1.14 (180deg=-3.46!) USER MOD Single : A 139 HIS : no HD1:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 140 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 142 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-0.29) USER MOD Single : A 143 HIS : no HD1:sc= -0.426 K(o=-0.43,f=-2.5) USER MOD Single : A 144 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.862 13.850 -12.840 1.00 9.55 N ATOM 2 CA MET A 1 24.836 12.997 -11.617 1.00 8.99 C ATOM 3 C MET A 1 23.551 13.273 -10.829 1.00 8.11 C ATOM 4 O MET A 1 22.683 12.430 -10.720 1.00 8.07 O ATOM 5 CB MET A 1 26.053 13.323 -10.746 1.00 9.53 C ATOM 6 CG MET A 1 27.324 13.261 -11.598 1.00 9.86 C ATOM 7 SD MET A 1 28.768 13.575 -10.553 1.00 10.51 S ATOM 8 CE MET A 1 29.980 13.752 -11.885 1.00 11.01 C ATOM 0 H1 MET A 1 25.562 13.474 -13.511 1.00 9.55 H new ATOM 0 H2 MET A 1 23.921 13.849 -13.284 1.00 9.55 H new ATOM 0 H3 MET A 1 25.121 14.823 -12.579 1.00 9.55 H new ATOM 0 HA MET A 1 24.865 11.946 -11.903 1.00 8.99 H new ATOM 0 HB2 MET A 1 25.944 14.315 -10.308 1.00 9.53 H new ATOM 0 HB3 MET A 1 26.122 12.616 -9.920 1.00 9.53 H new ATOM 0 HG2 MET A 1 27.410 12.283 -12.071 1.00 9.86 H new ATOM 0 HG3 MET A 1 27.274 13.999 -12.399 1.00 9.86 H new ATOM 0 HE1 MET A 1 30.962 13.954 -11.458 1.00 11.01 H new ATOM 0 HE2 MET A 1 30.019 12.830 -12.466 1.00 11.01 H new ATOM 0 HE3 MET A 1 29.689 14.578 -12.534 1.00 11.01 H new ATOM 20 N THR A 2 23.427 14.450 -10.282 1.00 7.65 N ATOM 21 CA THR A 2 22.205 14.796 -9.501 1.00 6.99 C ATOM 22 C THR A 2 21.879 13.666 -8.519 1.00 6.39 C ATOM 23 O THR A 2 20.833 13.050 -8.593 1.00 6.45 O ATOM 24 CB THR A 2 21.027 14.997 -10.458 1.00 7.19 C ATOM 25 OG1 THR A 2 20.817 13.808 -11.206 1.00 7.73 O ATOM 26 CG2 THR A 2 21.335 16.154 -11.410 1.00 7.47 C ATOM 0 H THR A 2 24.124 15.192 -10.342 1.00 7.65 H new ATOM 0 HA THR A 2 22.383 15.716 -8.944 1.00 6.99 H new ATOM 0 HB THR A 2 20.129 15.229 -9.886 1.00 7.19 H new ATOM 0 HG1 THR A 2 21.226 13.050 -10.738 1.00 7.73 H new ATOM 0 HG21 THR A 2 20.497 16.297 -12.092 1.00 7.47 H new ATOM 0 HG22 THR A 2 21.495 17.066 -10.835 1.00 7.47 H new ATOM 0 HG23 THR A 2 22.233 15.924 -11.983 1.00 7.47 H new ATOM 34 N LYS A 3 22.764 13.387 -7.601 1.00 6.19 N ATOM 35 CA LYS A 3 22.502 12.296 -6.618 1.00 6.01 C ATOM 36 C LYS A 3 21.474 12.772 -5.586 1.00 5.30 C ATOM 37 O LYS A 3 21.819 13.182 -4.496 1.00 5.35 O ATOM 38 CB LYS A 3 23.810 11.927 -5.909 1.00 6.71 C ATOM 39 CG LYS A 3 23.561 10.777 -4.928 1.00 7.63 C ATOM 40 CD LYS A 3 24.894 10.124 -4.547 1.00 8.30 C ATOM 41 CE LYS A 3 25.818 11.168 -3.917 1.00 9.15 C ATOM 42 NZ LYS A 3 26.948 10.480 -3.230 1.00 9.76 N ATOM 0 H LYS A 3 23.657 13.867 -7.489 1.00 6.19 H new ATOM 0 HA LYS A 3 22.111 11.422 -7.138 1.00 6.01 H new ATOM 0 HB2 LYS A 3 24.562 11.636 -6.642 1.00 6.71 H new ATOM 0 HB3 LYS A 3 24.203 12.793 -5.376 1.00 6.71 H new ATOM 0 HG2 LYS A 3 23.060 11.150 -4.035 1.00 7.63 H new ATOM 0 HG3 LYS A 3 22.899 10.038 -5.380 1.00 7.63 H new ATOM 0 HD2 LYS A 3 24.722 9.306 -3.847 1.00 8.30 H new ATOM 0 HD3 LYS A 3 25.365 9.694 -5.431 1.00 8.30 H new ATOM 0 HE2 LYS A 3 26.200 11.841 -4.684 1.00 9.15 H new ATOM 0 HE3 LYS A 3 25.263 11.779 -3.205 1.00 9.15 H new ATOM 0 HZ1 LYS A 3 27.577 11.189 -2.801 1.00 9.76 H new ATOM 0 HZ2 LYS A 3 26.574 9.855 -2.488 1.00 9.76 H new ATOM 0 HZ3 LYS A 3 27.483 9.916 -3.921 1.00 9.76 H new ATOM 56 N VAL A 4 20.210 12.719 -5.923 1.00 4.99 N ATOM 57 CA VAL A 4 19.153 13.165 -4.965 1.00 4.62 C ATOM 58 C VAL A 4 17.879 12.348 -5.197 1.00 3.72 C ATOM 59 O VAL A 4 16.829 12.886 -5.486 1.00 3.85 O ATOM 60 CB VAL A 4 18.850 14.649 -5.190 1.00 5.40 C ATOM 61 CG1 VAL A 4 19.993 15.498 -4.632 1.00 5.99 C ATOM 62 CG2 VAL A 4 18.703 14.918 -6.690 1.00 5.96 C ATOM 0 H VAL A 4 19.864 12.385 -6.823 1.00 4.99 H new ATOM 0 HA VAL A 4 19.504 13.016 -3.944 1.00 4.62 H new ATOM 0 HB VAL A 4 17.923 14.909 -4.679 1.00 5.40 H new ATOM 0 HG11 VAL A 4 19.775 16.554 -4.794 1.00 5.99 H new ATOM 0 HG12 VAL A 4 20.099 15.309 -3.564 1.00 5.99 H new ATOM 0 HG13 VAL A 4 20.921 15.238 -5.140 1.00 5.99 H new ATOM 0 HG21 VAL A 4 18.487 15.974 -6.851 1.00 5.96 H new ATOM 0 HG22 VAL A 4 19.630 14.655 -7.199 1.00 5.96 H new ATOM 0 HG23 VAL A 4 17.887 14.316 -7.089 1.00 5.96 H new ATOM 72 N ASP A 5 17.964 11.050 -5.072 1.00 3.31 N ATOM 73 CA ASP A 5 16.759 10.198 -5.285 1.00 2.92 C ATOM 74 C ASP A 5 15.790 10.381 -4.113 1.00 2.11 C ATOM 75 O ASP A 5 16.110 10.085 -2.979 1.00 2.43 O ATOM 76 CB ASP A 5 17.183 8.730 -5.376 1.00 3.73 C ATOM 77 CG ASP A 5 15.980 7.872 -5.773 1.00 4.37 C ATOM 78 OD1 ASP A 5 15.629 7.884 -6.942 1.00 4.87 O ATOM 79 OD2 ASP A 5 15.431 7.218 -4.902 1.00 4.78 O ATOM 0 H ASP A 5 18.816 10.544 -4.832 1.00 3.31 H new ATOM 0 HA ASP A 5 16.265 10.491 -6.211 1.00 2.92 H new ATOM 0 HB2 ASP A 5 17.981 8.616 -6.109 1.00 3.73 H new ATOM 0 HB3 ASP A 5 17.581 8.396 -4.418 1.00 3.73 H new ATOM 84 N PHE A 6 14.608 10.874 -4.377 1.00 1.65 N ATOM 85 CA PHE A 6 13.616 11.084 -3.279 1.00 1.63 C ATOM 86 C PHE A 6 12.800 9.807 -3.071 1.00 1.38 C ATOM 87 O PHE A 6 13.067 9.033 -2.174 1.00 1.88 O ATOM 88 CB PHE A 6 12.679 12.237 -3.654 1.00 2.27 C ATOM 89 CG PHE A 6 13.381 13.553 -3.418 1.00 2.46 C ATOM 90 CD1 PHE A 6 13.307 14.168 -2.163 1.00 2.80 C ATOM 91 CD2 PHE A 6 14.108 14.155 -4.452 1.00 3.07 C ATOM 92 CE1 PHE A 6 13.959 15.386 -1.941 1.00 3.39 C ATOM 93 CE2 PHE A 6 14.762 15.372 -4.230 1.00 3.67 C ATOM 94 CZ PHE A 6 14.687 15.988 -2.974 1.00 3.70 C ATOM 0 H PHE A 6 14.286 11.141 -5.307 1.00 1.65 H new ATOM 0 HA PHE A 6 14.142 11.328 -2.356 1.00 1.63 H new ATOM 0 HB2 PHE A 6 12.382 12.153 -4.699 1.00 2.27 H new ATOM 0 HB3 PHE A 6 11.767 12.187 -3.059 1.00 2.27 H new ATOM 0 HD1 PHE A 6 12.747 13.702 -1.366 1.00 2.80 H new ATOM 0 HD2 PHE A 6 14.164 13.680 -5.420 1.00 3.07 H new ATOM 0 HE1 PHE A 6 13.901 15.861 -0.973 1.00 3.39 H new ATOM 0 HE2 PHE A 6 15.324 15.836 -5.027 1.00 3.67 H new ATOM 0 HZ PHE A 6 15.191 16.928 -2.803 1.00 3.70 H new ATOM 104 N TRP A 7 11.801 9.578 -3.887 1.00 1.09 N ATOM 105 CA TRP A 7 10.971 8.345 -3.723 1.00 0.88 C ATOM 106 C TRP A 7 10.460 7.881 -5.105 1.00 0.73 C ATOM 107 O TRP A 7 10.254 8.705 -5.974 1.00 0.71 O ATOM 108 CB TRP A 7 9.771 8.666 -2.822 1.00 0.91 C ATOM 109 CG TRP A 7 10.211 8.718 -1.393 1.00 0.90 C ATOM 110 CD1 TRP A 7 10.748 7.681 -0.710 1.00 1.12 C ATOM 111 CD2 TRP A 7 10.162 9.839 -0.465 1.00 0.83 C ATOM 112 NE1 TRP A 7 11.033 8.095 0.579 1.00 1.12 N ATOM 113 CE2 TRP A 7 10.690 9.418 0.778 1.00 0.95 C ATOM 114 CE3 TRP A 7 9.718 11.169 -0.580 1.00 0.89 C ATOM 115 CZ2 TRP A 7 10.772 10.283 1.870 1.00 1.04 C ATOM 116 CZ3 TRP A 7 9.799 12.043 0.517 1.00 1.09 C ATOM 117 CH2 TRP A 7 10.326 11.601 1.738 1.00 1.12 C ATOM 0 H TRP A 7 11.525 10.189 -4.656 1.00 1.09 H new ATOM 0 HA TRP A 7 11.572 7.555 -3.273 1.00 0.88 H new ATOM 0 HB2 TRP A 7 9.332 9.620 -3.112 1.00 0.91 H new ATOM 0 HB3 TRP A 7 8.998 7.908 -2.947 1.00 0.91 H new ATOM 0 HD1 TRP A 7 10.925 6.692 -1.106 1.00 1.12 H new ATOM 0 HE1 TRP A 7 11.446 7.497 1.295 1.00 1.12 H new ATOM 0 HE3 TRP A 7 9.312 11.520 -1.517 1.00 0.89 H new ATOM 0 HZ2 TRP A 7 11.177 9.937 2.810 1.00 1.04 H new ATOM 0 HZ3 TRP A 7 9.453 13.061 0.419 1.00 1.09 H new ATOM 0 HH2 TRP A 7 10.387 12.279 2.577 1.00 1.12 H new ATOM 128 N PRO A 8 10.250 6.583 -5.284 1.00 0.67 N ATOM 129 CA PRO A 8 9.746 6.057 -6.571 1.00 0.58 C ATOM 130 C PRO A 8 8.382 6.683 -6.891 1.00 0.52 C ATOM 131 O PRO A 8 7.941 7.601 -6.227 1.00 0.58 O ATOM 132 CB PRO A 8 9.620 4.527 -6.359 1.00 0.62 C ATOM 133 CG PRO A 8 10.004 4.228 -4.881 1.00 0.71 C ATOM 134 CD PRO A 8 10.491 5.551 -4.250 1.00 0.75 C ATOM 0 HA PRO A 8 10.405 6.291 -7.407 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.603 4.193 -6.566 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.277 3.990 -7.042 1.00 0.62 H new ATOM 0 HG2 PRO A 8 9.147 3.835 -4.334 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.786 3.470 -4.834 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.945 5.776 -3.334 1.00 0.75 H new ATOM 0 HD3 PRO A 8 11.547 5.497 -3.986 1.00 0.75 H new ATOM 142 N THR A 9 7.713 6.185 -7.905 1.00 0.48 N ATOM 143 CA THR A 9 6.372 6.729 -8.284 1.00 0.46 C ATOM 144 C THR A 9 5.322 5.627 -8.145 1.00 0.43 C ATOM 145 O THR A 9 5.623 4.497 -7.813 1.00 0.44 O ATOM 146 CB THR A 9 6.403 7.206 -9.745 1.00 0.47 C ATOM 147 OG1 THR A 9 6.060 6.127 -10.604 1.00 0.72 O ATOM 148 CG2 THR A 9 7.803 7.707 -10.095 1.00 0.73 C ATOM 0 H THR A 9 8.043 5.418 -8.490 1.00 0.48 H new ATOM 0 HA THR A 9 6.124 7.565 -7.630 1.00 0.46 H new ATOM 0 HB THR A 9 5.686 8.017 -9.873 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.078 6.432 -11.535 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.820 8.044 -11.131 1.00 0.73 H new ATOM 0 HG22 THR A 9 8.067 8.537 -9.439 1.00 0.73 H new ATOM 0 HG23 THR A 9 8.522 6.898 -9.964 1.00 0.73 H new ATOM 156 N LEU A 10 4.097 5.949 -8.439 1.00 0.41 N ATOM 157 CA LEU A 10 3.030 4.921 -8.370 1.00 0.40 C ATOM 158 C LEU A 10 3.182 3.987 -9.565 1.00 0.39 C ATOM 159 O LEU A 10 2.760 2.853 -9.528 1.00 0.39 O ATOM 160 CB LEU A 10 1.637 5.567 -8.402 1.00 0.41 C ATOM 161 CG LEU A 10 0.549 4.474 -8.487 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.735 3.432 -7.371 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.825 5.120 -8.322 1.00 0.41 C ATOM 0 H LEU A 10 3.789 6.879 -8.724 1.00 0.41 H new ATOM 0 HA LEU A 10 3.127 4.370 -7.434 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.487 6.172 -7.508 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.558 6.238 -9.258 1.00 0.41 H new ATOM 0 HG LEU A 10 0.630 3.980 -9.455 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.042 2.672 -7.450 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.714 2.962 -7.471 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.665 3.922 -6.400 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.597 4.353 -8.381 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.880 5.616 -7.353 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -0.980 5.853 -9.114 1.00 0.41 H new ATOM 175 N LYS A 11 3.788 4.434 -10.633 1.00 0.42 N ATOM 176 CA LYS A 11 3.952 3.547 -11.804 1.00 0.44 C ATOM 177 C LYS A 11 4.876 2.394 -11.436 1.00 0.43 C ATOM 178 O LYS A 11 4.780 1.312 -11.979 1.00 0.45 O ATOM 179 CB LYS A 11 4.578 4.364 -12.939 1.00 0.49 C ATOM 180 CG LYS A 11 4.534 3.572 -14.245 1.00 0.83 C ATOM 181 CD LYS A 11 5.270 4.352 -15.339 1.00 0.98 C ATOM 182 CE LYS A 11 5.193 3.577 -16.656 1.00 1.64 C ATOM 183 NZ LYS A 11 5.971 4.296 -17.705 1.00 2.31 N ATOM 0 H LYS A 11 4.173 5.373 -10.738 1.00 0.42 H new ATOM 0 HA LYS A 11 2.988 3.146 -12.116 1.00 0.44 H new ATOM 0 HB2 LYS A 11 4.042 5.306 -13.058 1.00 0.49 H new ATOM 0 HB3 LYS A 11 5.610 4.614 -12.691 1.00 0.49 H new ATOM 0 HG2 LYS A 11 4.997 2.595 -14.106 1.00 0.83 H new ATOM 0 HG3 LYS A 11 3.500 3.396 -14.542 1.00 0.83 H new ATOM 0 HD2 LYS A 11 4.825 5.340 -15.459 1.00 0.98 H new ATOM 0 HD3 LYS A 11 6.311 4.504 -15.054 1.00 0.98 H new ATOM 0 HE2 LYS A 11 5.589 2.570 -16.521 1.00 1.64 H new ATOM 0 HE3 LYS A 11 4.154 3.472 -16.968 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 5.918 3.768 -18.600 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 5.574 5.248 -17.840 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 6.965 4.374 -17.408 1.00 2.31 H new ATOM 197 N ASP A 12 5.794 2.619 -10.536 1.00 0.43 N ATOM 198 CA ASP A 12 6.734 1.531 -10.176 1.00 0.45 C ATOM 199 C ASP A 12 5.939 0.341 -9.636 1.00 0.44 C ATOM 200 O ASP A 12 6.409 -0.779 -9.614 1.00 0.46 O ATOM 201 CB ASP A 12 7.714 2.026 -9.110 1.00 0.48 C ATOM 202 CG ASP A 12 8.869 1.031 -8.971 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.825 0.004 -9.629 1.00 1.94 O ATOM 204 OD2 ASP A 12 9.778 1.312 -8.207 1.00 1.88 O ATOM 0 H ASP A 12 5.930 3.501 -10.041 1.00 0.43 H new ATOM 0 HA ASP A 12 7.296 1.225 -11.059 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.098 3.009 -9.383 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.201 2.139 -8.155 1.00 0.48 H new ATOM 209 N ALA A 13 4.732 0.585 -9.180 1.00 0.43 N ATOM 210 CA ALA A 13 3.906 -0.522 -8.624 1.00 0.45 C ATOM 211 C ALA A 13 3.494 -1.470 -9.749 1.00 0.49 C ATOM 212 O ALA A 13 3.118 -2.601 -9.514 1.00 0.57 O ATOM 213 CB ALA A 13 2.655 0.059 -7.959 1.00 0.44 C ATOM 0 H ALA A 13 4.288 1.503 -9.171 1.00 0.43 H new ATOM 0 HA ALA A 13 4.488 -1.072 -7.885 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.050 -0.751 -7.552 1.00 0.44 H new ATOM 0 HB2 ALA A 13 2.950 0.732 -7.154 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.073 0.611 -8.698 1.00 0.44 H new ATOM 219 N TYR A 14 3.563 -1.021 -10.975 1.00 0.54 N ATOM 220 CA TYR A 14 3.178 -1.899 -12.120 1.00 0.60 C ATOM 221 C TYR A 14 4.420 -2.618 -12.655 1.00 0.67 C ATOM 222 O TYR A 14 4.403 -3.172 -13.735 1.00 1.15 O ATOM 223 CB TYR A 14 2.548 -1.055 -13.237 1.00 0.61 C ATOM 224 CG TYR A 14 1.611 -0.006 -12.664 1.00 0.58 C ATOM 225 CD1 TYR A 14 0.835 -0.271 -11.521 1.00 1.32 C ATOM 226 CD2 TYR A 14 1.511 1.242 -13.294 1.00 1.37 C ATOM 227 CE1 TYR A 14 -0.029 0.710 -11.017 1.00 1.33 C ATOM 228 CE2 TYR A 14 0.645 2.219 -12.788 1.00 1.41 C ATOM 229 CZ TYR A 14 -0.124 1.953 -11.651 1.00 0.70 C ATOM 230 OH TYR A 14 -0.978 2.917 -11.154 1.00 0.82 O ATOM 0 H TYR A 14 3.870 -0.083 -11.233 1.00 0.54 H new ATOM 0 HA TYR A 14 2.452 -2.636 -11.778 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.333 -0.569 -13.817 1.00 0.61 H new ATOM 0 HB3 TYR A 14 2.000 -1.702 -13.922 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.905 -1.231 -11.032 1.00 1.32 H new ATOM 0 HD2 TYR A 14 2.104 1.451 -14.172 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -0.622 0.506 -10.138 1.00 1.33 H new ATOM 0 HE2 TYR A 14 0.571 3.179 -13.277 1.00 1.41 H new ATOM 0 HH TYR A 14 -0.923 3.722 -11.711 1.00 0.82 H new ATOM 240 N GLU A 15 5.491 -2.630 -11.897 1.00 0.57 N ATOM 241 CA GLU A 15 6.737 -3.335 -12.341 1.00 0.60 C ATOM 242 C GLU A 15 6.867 -4.635 -11.514 1.00 0.53 C ATOM 243 O GLU A 15 7.223 -4.564 -10.354 1.00 0.57 O ATOM 244 CB GLU A 15 7.960 -2.431 -12.073 1.00 0.68 C ATOM 245 CG GLU A 15 8.294 -1.624 -13.331 1.00 0.89 C ATOM 246 CD GLU A 15 7.057 -0.840 -13.775 1.00 1.59 C ATOM 247 OE1 GLU A 15 6.864 0.256 -13.277 1.00 2.32 O ATOM 248 OE2 GLU A 15 6.322 -1.351 -14.604 1.00 2.12 O ATOM 0 H GLU A 15 5.556 -2.179 -10.984 1.00 0.57 H new ATOM 0 HA GLU A 15 6.690 -3.563 -13.406 1.00 0.60 H new ATOM 0 HB2 GLU A 15 7.751 -1.757 -11.242 1.00 0.68 H new ATOM 0 HB3 GLU A 15 8.816 -3.039 -11.782 1.00 0.68 H new ATOM 0 HG2 GLU A 15 9.119 -0.940 -13.130 1.00 0.89 H new ATOM 0 HG3 GLU A 15 8.621 -2.291 -14.128 1.00 0.89 H new ATOM 255 N PRO A 16 6.563 -5.788 -12.090 1.00 0.51 N ATOM 256 CA PRO A 16 6.646 -7.046 -11.331 1.00 0.48 C ATOM 257 C PRO A 16 8.076 -7.294 -10.816 1.00 0.51 C ATOM 258 O PRO A 16 8.926 -6.425 -10.816 1.00 0.76 O ATOM 259 CB PRO A 16 6.191 -8.151 -12.320 1.00 0.53 C ATOM 260 CG PRO A 16 5.827 -7.454 -13.662 1.00 0.64 C ATOM 261 CD PRO A 16 6.122 -5.947 -13.497 1.00 0.60 C ATOM 0 HA PRO A 16 6.017 -7.026 -10.441 1.00 0.48 H new ATOM 0 HB2 PRO A 16 6.985 -8.882 -12.470 1.00 0.53 H new ATOM 0 HB3 PRO A 16 5.332 -8.691 -11.923 1.00 0.53 H new ATOM 0 HG2 PRO A 16 6.411 -7.872 -14.482 1.00 0.64 H new ATOM 0 HG3 PRO A 16 4.777 -7.615 -13.905 1.00 0.64 H new ATOM 0 HD2 PRO A 16 6.896 -5.619 -14.191 1.00 0.60 H new ATOM 0 HD3 PRO A 16 5.235 -5.348 -13.702 1.00 0.60 H new ATOM 269 N LEU A 17 8.301 -8.487 -10.358 1.00 0.63 N ATOM 270 CA LEU A 17 9.614 -8.904 -9.793 1.00 0.74 C ATOM 271 C LEU A 17 9.885 -10.353 -10.189 1.00 0.79 C ATOM 272 O LEU A 17 8.976 -11.112 -10.459 1.00 1.03 O ATOM 273 CB LEU A 17 9.538 -8.812 -8.258 1.00 0.79 C ATOM 274 CG LEU A 17 9.595 -7.332 -7.813 1.00 1.26 C ATOM 275 CD1 LEU A 17 9.490 -7.258 -6.288 1.00 1.12 C ATOM 276 CD2 LEU A 17 10.919 -6.665 -8.263 1.00 2.28 C ATOM 0 H LEU A 17 7.597 -9.225 -10.351 1.00 0.63 H new ATOM 0 HA LEU A 17 10.409 -8.261 -10.171 1.00 0.74 H new ATOM 0 HB2 LEU A 17 8.616 -9.272 -7.903 1.00 0.79 H new ATOM 0 HB3 LEU A 17 10.363 -9.367 -7.811 1.00 0.79 H new ATOM 0 HG LEU A 17 8.764 -6.801 -8.277 1.00 1.26 H new ATOM 0 HD11 LEU A 17 9.530 -6.216 -5.971 1.00 1.12 H new ATOM 0 HD12 LEU A 17 8.547 -7.699 -5.966 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.319 -7.806 -5.839 1.00 1.12 H new ATOM 0 HD21 LEU A 17 10.932 -5.625 -7.937 1.00 2.28 H new ATOM 0 HD22 LEU A 17 11.762 -7.195 -7.820 1.00 2.28 H new ATOM 0 HD23 LEU A 17 10.996 -6.705 -9.350 1.00 2.28 H new ATOM 288 N TYR A 18 11.134 -10.744 -10.228 1.00 0.78 N ATOM 289 CA TYR A 18 11.474 -12.147 -10.610 1.00 0.88 C ATOM 290 C TYR A 18 11.442 -13.012 -9.331 1.00 0.76 C ATOM 291 O TYR A 18 11.576 -12.478 -8.247 1.00 0.63 O ATOM 292 CB TYR A 18 12.883 -12.174 -11.246 1.00 1.09 C ATOM 293 CG TYR A 18 13.180 -10.853 -11.913 1.00 0.78 C ATOM 294 CD1 TYR A 18 12.180 -10.183 -12.626 1.00 1.46 C ATOM 295 CD2 TYR A 18 14.465 -10.308 -11.828 1.00 1.41 C ATOM 296 CE1 TYR A 18 12.466 -8.964 -13.250 1.00 1.64 C ATOM 297 CE2 TYR A 18 14.752 -9.094 -12.450 1.00 1.67 C ATOM 298 CZ TYR A 18 13.754 -8.419 -13.164 1.00 1.40 C ATOM 299 OH TYR A 18 14.038 -7.218 -13.780 1.00 1.95 O ATOM 0 H TYR A 18 11.934 -10.150 -10.011 1.00 0.78 H new ATOM 0 HA TYR A 18 10.760 -12.537 -11.335 1.00 0.88 H new ATOM 0 HB2 TYR A 18 13.631 -12.379 -10.481 1.00 1.09 H new ATOM 0 HB3 TYR A 18 12.945 -12.980 -11.977 1.00 1.09 H new ATOM 0 HD1 TYR A 18 11.189 -10.606 -12.695 1.00 1.46 H new ATOM 0 HD2 TYR A 18 15.236 -10.828 -11.280 1.00 1.41 H new ATOM 0 HE1 TYR A 18 11.694 -8.443 -13.798 1.00 1.64 H new ATOM 0 HE2 TYR A 18 15.744 -8.674 -12.381 1.00 1.67 H new ATOM 0 HH TYR A 18 14.976 -6.983 -13.621 1.00 1.95 H new ATOM 309 N PRO A 19 11.266 -14.315 -9.467 1.00 0.88 N ATOM 310 CA PRO A 19 11.227 -15.206 -8.288 1.00 0.87 C ATOM 311 C PRO A 19 12.535 -15.092 -7.485 1.00 0.80 C ATOM 312 O PRO A 19 12.587 -15.426 -6.318 1.00 0.77 O ATOM 313 CB PRO A 19 11.047 -16.632 -8.868 1.00 1.11 C ATOM 314 CG PRO A 19 10.984 -16.504 -10.417 1.00 1.24 C ATOM 315 CD PRO A 19 11.093 -15.004 -10.767 1.00 1.09 C ATOM 0 HA PRO A 19 10.422 -14.948 -7.600 1.00 0.87 H new ATOM 0 HB2 PRO A 19 11.876 -17.274 -8.570 1.00 1.11 H new ATOM 0 HB3 PRO A 19 10.135 -17.090 -8.484 1.00 1.11 H new ATOM 0 HG2 PRO A 19 11.795 -17.065 -10.881 1.00 1.24 H new ATOM 0 HG3 PRO A 19 10.051 -16.919 -10.798 1.00 1.24 H new ATOM 0 HD2 PRO A 19 11.938 -14.814 -11.429 1.00 1.09 H new ATOM 0 HD3 PRO A 19 10.199 -14.654 -11.283 1.00 1.09 H new ATOM 323 N GLN A 20 13.595 -14.639 -8.106 1.00 0.80 N ATOM 324 CA GLN A 20 14.894 -14.533 -7.367 1.00 0.77 C ATOM 325 C GLN A 20 14.939 -13.221 -6.580 1.00 0.68 C ATOM 326 O GLN A 20 15.425 -13.174 -5.467 1.00 0.67 O ATOM 327 CB GLN A 20 16.066 -14.586 -8.349 1.00 0.85 C ATOM 328 CG GLN A 20 16.187 -15.995 -8.930 1.00 1.41 C ATOM 329 CD GLN A 20 17.253 -16.001 -10.027 1.00 1.86 C ATOM 330 OE1 GLN A 20 18.319 -15.442 -9.858 1.00 2.60 O ATOM 331 NE2 GLN A 20 17.010 -16.613 -11.154 1.00 2.30 N ATOM 0 H GLN A 20 13.620 -14.341 -9.081 1.00 0.80 H new ATOM 0 HA GLN A 20 14.974 -15.371 -6.675 1.00 0.77 H new ATOM 0 HB2 GLN A 20 15.914 -13.863 -9.151 1.00 0.85 H new ATOM 0 HB3 GLN A 20 16.991 -14.310 -7.842 1.00 0.85 H new ATOM 0 HG2 GLN A 20 16.453 -16.703 -8.145 1.00 1.41 H new ATOM 0 HG3 GLN A 20 15.228 -16.316 -9.337 1.00 1.41 H new ATOM 0 HE21 GLN A 20 16.116 -17.082 -11.297 1.00 2.30 H new ATOM 0 HE22 GLN A 20 17.714 -16.622 -11.892 1.00 2.30 H new ATOM 340 N GLN A 21 14.441 -12.158 -7.142 1.00 0.64 N ATOM 341 CA GLN A 21 14.464 -10.857 -6.417 1.00 0.59 C ATOM 342 C GLN A 21 13.603 -10.952 -5.157 1.00 0.50 C ATOM 343 O GLN A 21 14.009 -10.549 -4.085 1.00 0.47 O ATOM 344 CB GLN A 21 13.911 -9.757 -7.323 1.00 0.64 C ATOM 345 CG GLN A 21 14.808 -9.615 -8.552 1.00 1.02 C ATOM 346 CD GLN A 21 16.139 -8.982 -8.143 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.227 -8.334 -7.118 1.00 2.34 O ATOM 348 NE2 GLN A 21 17.185 -9.144 -8.905 1.00 1.94 N ATOM 0 H GLN A 21 14.019 -12.132 -8.070 1.00 0.64 H new ATOM 0 HA GLN A 21 15.491 -10.621 -6.138 1.00 0.59 H new ATOM 0 HB2 GLN A 21 12.893 -9.999 -7.628 1.00 0.64 H new ATOM 0 HB3 GLN A 21 13.865 -8.812 -6.781 1.00 0.64 H new ATOM 0 HG2 GLN A 21 14.981 -10.592 -9.003 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.316 -8.999 -9.305 1.00 1.02 H new ATOM 0 HE21 GLN A 21 17.110 -9.688 -9.765 1.00 1.94 H new ATOM 0 HE22 GLN A 21 18.078 -8.727 -8.641 1.00 1.94 H new ATOM 357 N LEU A 22 12.413 -11.473 -5.275 1.00 0.52 N ATOM 358 CA LEU A 22 11.528 -11.581 -4.086 1.00 0.46 C ATOM 359 C LEU A 22 12.106 -12.596 -3.098 1.00 0.42 C ATOM 360 O LEU A 22 11.937 -12.470 -1.900 1.00 0.40 O ATOM 361 CB LEU A 22 10.138 -12.039 -4.541 1.00 0.52 C ATOM 362 CG LEU A 22 9.156 -12.046 -3.359 1.00 0.59 C ATOM 363 CD1 LEU A 22 8.902 -10.612 -2.860 1.00 0.52 C ATOM 364 CD2 LEU A 22 7.837 -12.669 -3.827 1.00 0.93 C ATOM 0 H LEU A 22 12.017 -11.828 -6.145 1.00 0.52 H new ATOM 0 HA LEU A 22 11.456 -10.611 -3.594 1.00 0.46 H new ATOM 0 HB2 LEU A 22 9.769 -11.376 -5.323 1.00 0.52 H new ATOM 0 HB3 LEU A 22 10.202 -13.037 -4.973 1.00 0.52 H new ATOM 0 HG LEU A 22 9.579 -12.625 -2.538 1.00 0.59 H new ATOM 0 HD11 LEU A 22 8.204 -10.636 -2.023 1.00 0.52 H new ATOM 0 HD12 LEU A 22 9.843 -10.168 -2.535 1.00 0.52 H new ATOM 0 HD13 LEU A 22 8.479 -10.015 -3.668 1.00 0.52 H new ATOM 0 HD21 LEU A 22 7.127 -12.682 -3.000 1.00 0.93 H new ATOM 0 HD22 LEU A 22 7.427 -12.080 -4.647 1.00 0.93 H new ATOM 0 HD23 LEU A 22 8.017 -13.689 -4.167 1.00 0.93 H new ATOM 376 N GLU A 23 12.776 -13.615 -3.577 1.00 0.44 N ATOM 377 CA GLU A 23 13.331 -14.630 -2.635 1.00 0.42 C ATOM 378 C GLU A 23 14.575 -14.055 -1.951 1.00 0.38 C ATOM 379 O GLU A 23 14.886 -14.383 -0.823 1.00 0.37 O ATOM 380 CB GLU A 23 13.694 -15.903 -3.407 1.00 0.47 C ATOM 381 CG GLU A 23 14.101 -17.010 -2.432 1.00 1.13 C ATOM 382 CD GLU A 23 12.875 -17.478 -1.649 1.00 1.66 C ATOM 383 OE1 GLU A 23 11.809 -17.543 -2.238 1.00 2.30 O ATOM 384 OE2 GLU A 23 13.023 -17.767 -0.473 1.00 2.28 O ATOM 0 H GLU A 23 12.960 -13.785 -4.566 1.00 0.44 H new ATOM 0 HA GLU A 23 12.587 -14.877 -1.878 1.00 0.42 H new ATOM 0 HB2 GLU A 23 12.844 -16.229 -4.006 1.00 0.47 H new ATOM 0 HB3 GLU A 23 14.511 -15.698 -4.099 1.00 0.47 H new ATOM 0 HG2 GLU A 23 14.538 -17.846 -2.977 1.00 1.13 H new ATOM 0 HG3 GLU A 23 14.865 -16.642 -1.747 1.00 1.13 H new ATOM 391 N ILE A 24 15.284 -13.194 -2.631 1.00 0.39 N ATOM 392 CA ILE A 24 16.504 -12.587 -2.035 1.00 0.39 C ATOM 393 C ILE A 24 16.094 -11.731 -0.829 1.00 0.36 C ATOM 394 O ILE A 24 16.667 -11.832 0.238 1.00 0.37 O ATOM 395 CB ILE A 24 17.202 -11.727 -3.109 1.00 0.44 C ATOM 396 CG1 ILE A 24 18.032 -12.635 -4.025 1.00 0.52 C ATOM 397 CG2 ILE A 24 18.124 -10.694 -2.455 1.00 0.48 C ATOM 398 CD1 ILE A 24 18.416 -11.874 -5.296 1.00 0.89 C ATOM 0 H ILE A 24 15.067 -12.885 -3.579 1.00 0.39 H new ATOM 0 HA ILE A 24 17.196 -13.358 -1.696 1.00 0.39 H new ATOM 0 HB ILE A 24 16.441 -11.204 -3.688 1.00 0.44 H new ATOM 0 HG12 ILE A 24 18.930 -12.970 -3.505 1.00 0.52 H new ATOM 0 HG13 ILE A 24 17.461 -13.527 -4.282 1.00 0.52 H new ATOM 0 HG21 ILE A 24 18.608 -10.097 -3.228 1.00 0.48 H new ATOM 0 HG22 ILE A 24 17.538 -10.043 -1.806 1.00 0.48 H new ATOM 0 HG23 ILE A 24 18.883 -11.206 -1.864 1.00 0.48 H new ATOM 0 HD11 ILE A 24 19.006 -12.522 -5.944 1.00 0.89 H new ATOM 0 HD12 ILE A 24 17.513 -11.562 -5.820 1.00 0.89 H new ATOM 0 HD13 ILE A 24 19.004 -10.995 -5.030 1.00 0.89 H new ATOM 410 N LEU A 25 15.109 -10.890 -0.989 1.00 0.34 N ATOM 411 CA LEU A 25 14.671 -10.036 0.152 1.00 0.34 C ATOM 412 C LEU A 25 14.169 -10.930 1.290 1.00 0.32 C ATOM 413 O LEU A 25 14.263 -10.584 2.451 1.00 0.34 O ATOM 414 CB LEU A 25 13.543 -9.103 -0.305 1.00 0.36 C ATOM 415 CG LEU A 25 14.057 -8.145 -1.393 1.00 0.38 C ATOM 416 CD1 LEU A 25 12.866 -7.532 -2.134 1.00 0.44 C ATOM 417 CD2 LEU A 25 14.888 -7.013 -0.767 1.00 0.41 C ATOM 0 H LEU A 25 14.590 -10.757 -1.857 1.00 0.34 H new ATOM 0 HA LEU A 25 15.512 -9.437 0.502 1.00 0.34 H new ATOM 0 HB2 LEU A 25 12.709 -9.690 -0.691 1.00 0.36 H new ATOM 0 HB3 LEU A 25 13.166 -8.533 0.544 1.00 0.36 H new ATOM 0 HG LEU A 25 14.684 -8.708 -2.084 1.00 0.38 H new ATOM 0 HD11 LEU A 25 13.228 -6.853 -2.906 1.00 0.44 H new ATOM 0 HD12 LEU A 25 12.278 -8.325 -2.596 1.00 0.44 H new ATOM 0 HD13 LEU A 25 12.243 -6.981 -1.429 1.00 0.44 H new ATOM 0 HD21 LEU A 25 15.243 -6.345 -1.552 1.00 0.41 H new ATOM 0 HD22 LEU A 25 14.269 -6.452 -0.066 1.00 0.41 H new ATOM 0 HD23 LEU A 25 15.741 -7.438 -0.238 1.00 0.41 H new ATOM 429 N ARG A 26 13.641 -12.080 0.967 1.00 0.31 N ATOM 430 CA ARG A 26 13.140 -12.999 2.026 1.00 0.33 C ATOM 431 C ARG A 26 14.328 -13.709 2.678 1.00 0.31 C ATOM 432 O ARG A 26 14.360 -13.915 3.875 1.00 0.32 O ATOM 433 CB ARG A 26 12.197 -14.035 1.406 1.00 0.38 C ATOM 434 CG ARG A 26 11.554 -14.871 2.517 1.00 0.69 C ATOM 435 CD ARG A 26 10.346 -15.629 1.961 1.00 1.00 C ATOM 436 NE ARG A 26 10.809 -16.659 0.988 1.00 1.36 N ATOM 437 CZ ARG A 26 9.997 -17.608 0.607 1.00 1.86 C ATOM 438 NH1 ARG A 26 8.777 -17.649 1.069 1.00 2.36 N ATOM 439 NH2 ARG A 26 10.404 -18.515 -0.239 1.00 2.46 N ATOM 0 H ARG A 26 13.535 -12.422 0.012 1.00 0.31 H new ATOM 0 HA ARG A 26 12.597 -12.428 2.779 1.00 0.33 H new ATOM 0 HB2 ARG A 26 11.426 -13.535 0.820 1.00 0.38 H new ATOM 0 HB3 ARG A 26 12.748 -14.681 0.723 1.00 0.38 H new ATOM 0 HG2 ARG A 26 12.281 -15.574 2.923 1.00 0.69 H new ATOM 0 HG3 ARG A 26 11.243 -14.225 3.338 1.00 0.69 H new ATOM 0 HD2 ARG A 26 9.795 -16.103 2.774 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.661 -14.935 1.474 1.00 1.00 H new ATOM 0 HE ARG A 26 11.760 -16.623 0.620 1.00 1.36 H new ATOM 0 HH11 ARG A 26 8.457 -16.939 1.728 1.00 2.36 H new ATOM 0 HH12 ARG A 26 8.143 -18.391 0.771 1.00 2.36 H new ATOM 0 HH21 ARG A 26 11.356 -18.483 -0.603 1.00 2.46 H new ATOM 0 HH22 ARG A 26 9.770 -19.256 -0.536 1.00 2.46 H new ATOM 453 N GLN A 27 15.320 -14.057 1.902 1.00 0.31 N ATOM 454 CA GLN A 27 16.525 -14.720 2.472 1.00 0.32 C ATOM 455 C GLN A 27 17.110 -13.835 3.570 1.00 0.31 C ATOM 456 O GLN A 27 17.479 -14.297 4.631 1.00 0.33 O ATOM 457 CB GLN A 27 17.571 -14.879 1.363 1.00 0.33 C ATOM 458 CG GLN A 27 18.682 -15.816 1.851 1.00 0.99 C ATOM 459 CD GLN A 27 19.759 -15.950 0.773 1.00 1.48 C ATOM 460 OE1 GLN A 27 20.283 -14.964 0.295 1.00 2.02 O ATOM 461 NE2 GLN A 27 20.115 -17.140 0.370 1.00 2.23 N ATOM 0 H GLN A 27 15.346 -13.909 0.893 1.00 0.31 H new ATOM 0 HA GLN A 27 16.254 -15.693 2.881 1.00 0.32 H new ATOM 0 HB2 GLN A 27 17.107 -15.283 0.463 1.00 0.33 H new ATOM 0 HB3 GLN A 27 17.988 -13.908 1.098 1.00 0.33 H new ATOM 0 HG2 GLN A 27 19.121 -15.427 2.770 1.00 0.99 H new ATOM 0 HG3 GLN A 27 18.266 -16.796 2.086 1.00 0.99 H new ATOM 0 HE21 GLN A 27 19.674 -17.968 0.772 1.00 2.23 H new ATOM 0 HE22 GLN A 27 20.834 -17.242 -0.347 1.00 2.23 H new ATOM 470 N GLN A 28 17.198 -12.555 3.312 1.00 0.30 N ATOM 471 CA GLN A 28 17.758 -11.620 4.326 1.00 0.31 C ATOM 472 C GLN A 28 16.800 -11.536 5.515 1.00 0.30 C ATOM 473 O GLN A 28 17.217 -11.405 6.648 1.00 0.34 O ATOM 474 CB GLN A 28 17.928 -10.228 3.701 1.00 0.33 C ATOM 475 CG GLN A 28 19.213 -10.184 2.864 1.00 1.10 C ATOM 476 CD GLN A 28 20.442 -10.252 3.779 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.514 -10.623 3.343 1.00 2.28 O ATOM 478 NE2 GLN A 28 20.338 -9.907 5.034 1.00 2.28 N ATOM 0 H GLN A 28 16.904 -12.118 2.438 1.00 0.30 H new ATOM 0 HA GLN A 28 18.729 -11.983 4.664 1.00 0.31 H new ATOM 0 HB2 GLN A 28 17.067 -9.994 3.074 1.00 0.33 H new ATOM 0 HB3 GLN A 28 17.968 -9.471 4.484 1.00 0.33 H new ATOM 0 HG2 GLN A 28 19.227 -11.017 2.161 1.00 1.10 H new ATOM 0 HG3 GLN A 28 19.240 -9.268 2.273 1.00 1.10 H new ATOM 0 HE21 GLN A 28 19.440 -9.595 5.404 1.00 2.28 H new ATOM 0 HE22 GLN A 28 21.154 -9.950 5.644 1.00 2.28 H new ATOM 487 N VAL A 29 15.520 -11.611 5.272 1.00 0.27 N ATOM 488 CA VAL A 29 14.557 -11.534 6.405 1.00 0.28 C ATOM 489 C VAL A 29 14.623 -12.840 7.207 1.00 0.30 C ATOM 490 O VAL A 29 14.795 -12.832 8.410 1.00 0.33 O ATOM 491 CB VAL A 29 13.144 -11.314 5.849 1.00 0.27 C ATOM 492 CG1 VAL A 29 12.095 -11.576 6.937 1.00 0.30 C ATOM 493 CG2 VAL A 29 13.021 -9.870 5.355 1.00 0.27 C ATOM 0 H VAL A 29 15.103 -11.721 4.348 1.00 0.27 H new ATOM 0 HA VAL A 29 14.810 -10.702 7.062 1.00 0.28 H new ATOM 0 HB VAL A 29 12.972 -12.006 5.025 1.00 0.27 H new ATOM 0 HG11 VAL A 29 11.098 -11.416 6.527 1.00 0.30 H new ATOM 0 HG12 VAL A 29 12.183 -12.605 7.287 1.00 0.30 H new ATOM 0 HG13 VAL A 29 12.258 -10.894 7.771 1.00 0.30 H new ATOM 0 HG21 VAL A 29 12.019 -9.705 4.958 1.00 0.27 H new ATOM 0 HG22 VAL A 29 13.200 -9.185 6.184 1.00 0.27 H new ATOM 0 HG23 VAL A 29 13.756 -9.690 4.571 1.00 0.27 H new ATOM 503 N VAL A 30 14.489 -13.958 6.551 1.00 0.31 N ATOM 504 CA VAL A 30 14.543 -15.263 7.267 1.00 0.35 C ATOM 505 C VAL A 30 15.925 -15.463 7.894 1.00 0.37 C ATOM 506 O VAL A 30 16.050 -15.897 9.022 1.00 0.42 O ATOM 507 CB VAL A 30 14.281 -16.384 6.264 1.00 0.35 C ATOM 508 CG1 VAL A 30 14.316 -17.731 6.978 1.00 0.40 C ATOM 509 CG2 VAL A 30 12.909 -16.179 5.624 1.00 0.35 C ATOM 0 H VAL A 30 14.344 -14.025 5.544 1.00 0.31 H new ATOM 0 HA VAL A 30 13.790 -15.275 8.055 1.00 0.35 H new ATOM 0 HB VAL A 30 15.050 -16.368 5.492 1.00 0.35 H new ATOM 0 HG11 VAL A 30 14.129 -18.529 6.259 1.00 0.40 H new ATOM 0 HG12 VAL A 30 15.295 -17.876 7.434 1.00 0.40 H new ATOM 0 HG13 VAL A 30 13.549 -17.753 7.752 1.00 0.40 H new ATOM 0 HG21 VAL A 30 12.719 -16.978 4.907 1.00 0.35 H new ATOM 0 HG22 VAL A 30 12.141 -16.195 6.397 1.00 0.35 H new ATOM 0 HG23 VAL A 30 12.887 -15.218 5.110 1.00 0.35 H new ATOM 519 N SER A 31 16.963 -15.167 7.164 1.00 0.36 N ATOM 520 CA SER A 31 18.340 -15.356 7.706 1.00 0.39 C ATOM 521 C SER A 31 18.521 -14.551 8.997 1.00 0.42 C ATOM 522 O SER A 31 19.273 -14.934 9.871 1.00 0.47 O ATOM 523 CB SER A 31 19.364 -14.890 6.671 1.00 0.38 C ATOM 524 OG SER A 31 19.191 -13.501 6.430 1.00 1.36 O ATOM 0 H SER A 31 16.919 -14.801 6.213 1.00 0.36 H new ATOM 0 HA SER A 31 18.489 -16.413 7.925 1.00 0.39 H new ATOM 0 HB2 SER A 31 20.375 -15.085 7.029 1.00 0.38 H new ATOM 0 HB3 SER A 31 19.241 -15.450 5.744 1.00 0.38 H new ATOM 0 HG SER A 31 18.353 -13.355 5.944 1.00 1.36 H new ATOM 530 N GLU A 32 17.853 -13.434 9.130 1.00 0.42 N ATOM 531 CA GLU A 32 18.015 -12.621 10.370 1.00 0.47 C ATOM 532 C GLU A 32 17.119 -13.178 11.482 1.00 0.49 C ATOM 533 O GLU A 32 17.228 -12.786 12.627 1.00 0.54 O ATOM 534 CB GLU A 32 17.637 -11.167 10.084 1.00 0.48 C ATOM 535 CG GLU A 32 18.661 -10.549 9.129 1.00 0.79 C ATOM 536 CD GLU A 32 18.104 -9.243 8.559 1.00 1.50 C ATOM 537 OE1 GLU A 32 17.601 -8.447 9.336 1.00 2.23 O ATOM 538 OE2 GLU A 32 18.189 -9.060 7.356 1.00 2.22 O ATOM 0 H GLU A 32 17.207 -13.053 8.439 1.00 0.42 H new ATOM 0 HA GLU A 32 19.055 -12.668 10.694 1.00 0.47 H new ATOM 0 HB2 GLU A 32 16.640 -11.119 9.645 1.00 0.48 H new ATOM 0 HB3 GLU A 32 17.603 -10.600 11.014 1.00 0.48 H new ATOM 0 HG2 GLU A 32 19.596 -10.359 9.655 1.00 0.79 H new ATOM 0 HG3 GLU A 32 18.886 -11.244 8.320 1.00 0.79 H new ATOM 545 N GLY A 33 16.240 -14.097 11.154 1.00 0.47 N ATOM 546 CA GLY A 33 15.330 -14.700 12.188 1.00 0.50 C ATOM 547 C GLY A 33 13.877 -14.569 11.729 1.00 0.50 C ATOM 548 O GLY A 33 12.967 -15.082 12.348 1.00 0.66 O ATOM 0 H GLY A 33 16.112 -14.459 10.209 1.00 0.47 H new ATOM 0 HA2 GLY A 33 15.581 -15.750 12.341 1.00 0.50 H new ATOM 0 HA3 GLY A 33 15.467 -14.197 13.145 1.00 0.50 H new ATOM 552 N GLY A 34 13.661 -13.887 10.640 1.00 0.43 N ATOM 553 CA GLY A 34 12.271 -13.712 10.117 1.00 0.43 C ATOM 554 C GLY A 34 11.622 -12.457 10.761 1.00 0.43 C ATOM 555 O GLY A 34 12.083 -11.363 10.501 1.00 0.41 O ATOM 0 H GLY A 34 14.390 -13.439 10.084 1.00 0.43 H new ATOM 0 HA2 GLY A 34 12.291 -13.606 9.032 1.00 0.43 H new ATOM 0 HA3 GLY A 34 11.674 -14.597 10.340 1.00 0.43 H new ATOM 559 N PRO A 35 10.580 -12.609 11.581 1.00 0.47 N ATOM 560 CA PRO A 35 9.936 -11.433 12.217 1.00 0.51 C ATOM 561 C PRO A 35 10.972 -10.609 13.000 1.00 0.52 C ATOM 562 O PRO A 35 10.946 -9.394 13.003 1.00 0.64 O ATOM 563 CB PRO A 35 8.869 -12.028 13.174 1.00 0.57 C ATOM 564 CG PRO A 35 8.854 -13.567 12.962 1.00 0.58 C ATOM 565 CD PRO A 35 9.966 -13.911 11.944 1.00 0.52 C ATOM 0 HA PRO A 35 9.494 -10.759 11.483 1.00 0.51 H new ATOM 0 HB2 PRO A 35 9.107 -11.786 14.210 1.00 0.57 H new ATOM 0 HB3 PRO A 35 7.887 -11.603 12.965 1.00 0.57 H new ATOM 0 HG2 PRO A 35 9.026 -14.085 13.906 1.00 0.58 H new ATOM 0 HG3 PRO A 35 7.882 -13.893 12.592 1.00 0.58 H new ATOM 0 HD2 PRO A 35 10.703 -14.586 12.379 1.00 0.52 H new ATOM 0 HD3 PRO A 35 9.555 -14.411 11.067 1.00 0.52 H new ATOM 573 N THR A 36 11.874 -11.273 13.670 1.00 0.50 N ATOM 574 CA THR A 36 12.907 -10.555 14.469 1.00 0.50 C ATOM 575 C THR A 36 13.917 -9.874 13.543 1.00 0.48 C ATOM 576 O THR A 36 14.916 -9.345 13.988 1.00 0.48 O ATOM 577 CB THR A 36 13.639 -11.566 15.355 1.00 0.51 C ATOM 578 OG1 THR A 36 14.431 -12.425 14.548 1.00 0.69 O ATOM 579 CG2 THR A 36 12.615 -12.392 16.135 1.00 0.80 C ATOM 0 H THR A 36 11.940 -12.290 13.698 1.00 0.50 H new ATOM 0 HA THR A 36 12.422 -9.795 15.082 1.00 0.50 H new ATOM 0 HB THR A 36 14.286 -11.035 16.053 1.00 0.51 H new ATOM 0 HG1 THR A 36 14.899 -13.070 15.118 1.00 0.69 H new ATOM 0 HG21 THR A 36 13.134 -13.113 16.767 1.00 0.80 H new ATOM 0 HG22 THR A 36 12.013 -11.731 16.758 1.00 0.80 H new ATOM 0 HG23 THR A 36 11.967 -12.922 15.437 1.00 0.80 H new ATOM 587 N ALA A 37 13.678 -9.886 12.260 1.00 0.48 N ATOM 588 CA ALA A 37 14.643 -9.242 11.325 1.00 0.48 C ATOM 589 C ALA A 37 14.642 -7.728 11.546 1.00 0.55 C ATOM 590 O ALA A 37 13.708 -7.171 12.086 1.00 1.10 O ATOM 591 CB ALA A 37 14.251 -9.556 9.879 1.00 0.42 C ATOM 0 H ALA A 37 12.861 -10.311 11.821 1.00 0.48 H new ATOM 0 HA ALA A 37 15.643 -9.631 11.516 1.00 0.48 H new ATOM 0 HB1 ALA A 37 14.960 -9.083 9.199 1.00 0.42 H new ATOM 0 HB2 ALA A 37 14.265 -10.635 9.724 1.00 0.42 H new ATOM 0 HB3 ALA A 37 13.249 -9.174 9.682 1.00 0.42 H new ATOM 597 N THR A 38 15.685 -7.058 11.133 1.00 0.45 N ATOM 598 CA THR A 38 15.747 -5.579 11.322 1.00 0.46 C ATOM 599 C THR A 38 14.491 -4.938 10.729 1.00 0.40 C ATOM 600 O THR A 38 13.703 -5.592 10.076 1.00 0.36 O ATOM 601 CB THR A 38 16.988 -5.027 10.617 1.00 0.48 C ATOM 602 OG1 THR A 38 17.054 -5.550 9.298 1.00 0.66 O ATOM 603 CG2 THR A 38 18.241 -5.436 11.394 1.00 0.66 C ATOM 0 H THR A 38 16.496 -7.471 10.673 1.00 0.45 H new ATOM 0 HA THR A 38 15.803 -5.348 12.386 1.00 0.46 H new ATOM 0 HB THR A 38 16.929 -3.939 10.573 1.00 0.48 H new ATOM 0 HG1 THR A 38 17.378 -6.475 9.328 1.00 0.66 H new ATOM 0 HG21 THR A 38 19.125 -5.043 10.892 1.00 0.66 H new ATOM 0 HG22 THR A 38 18.189 -5.034 12.406 1.00 0.66 H new ATOM 0 HG23 THR A 38 18.303 -6.523 11.439 1.00 0.66 H new ATOM 611 N ILE A 39 14.298 -3.664 10.943 1.00 0.47 N ATOM 612 CA ILE A 39 13.096 -2.984 10.387 1.00 0.45 C ATOM 613 C ILE A 39 13.270 -2.794 8.876 1.00 0.40 C ATOM 614 O ILE A 39 12.358 -3.010 8.103 1.00 0.38 O ATOM 615 CB ILE A 39 12.944 -1.614 11.065 1.00 0.55 C ATOM 616 CG1 ILE A 39 12.588 -1.797 12.561 1.00 0.73 C ATOM 617 CG2 ILE A 39 11.863 -0.794 10.353 1.00 0.53 C ATOM 618 CD1 ILE A 39 11.072 -1.967 12.758 1.00 0.73 C ATOM 0 H ILE A 39 14.924 -3.065 11.481 1.00 0.47 H new ATOM 0 HA ILE A 39 12.208 -3.588 10.572 1.00 0.45 H new ATOM 0 HB ILE A 39 13.890 -1.077 10.997 1.00 0.55 H new ATOM 0 HG12 ILE A 39 13.108 -2.669 12.957 1.00 0.73 H new ATOM 0 HG13 ILE A 39 12.936 -0.934 13.128 1.00 0.73 H new ATOM 0 HG21 ILE A 39 11.762 0.176 10.840 1.00 0.53 H new ATOM 0 HG22 ILE A 39 12.145 -0.648 9.310 1.00 0.53 H new ATOM 0 HG23 ILE A 39 10.912 -1.325 10.401 1.00 0.53 H new ATOM 0 HD11 ILE A 39 10.855 -2.093 13.819 1.00 0.73 H new ATOM 0 HD12 ILE A 39 10.555 -1.083 12.385 1.00 0.73 H new ATOM 0 HD13 ILE A 39 10.730 -2.845 12.211 1.00 0.73 H new ATOM 630 N GLN A 40 14.433 -2.382 8.454 1.00 0.42 N ATOM 631 CA GLN A 40 14.670 -2.166 6.998 1.00 0.43 C ATOM 632 C GLN A 40 14.465 -3.478 6.239 1.00 0.35 C ATOM 633 O GLN A 40 14.113 -3.485 5.076 1.00 0.37 O ATOM 634 CB GLN A 40 16.104 -1.675 6.780 1.00 0.53 C ATOM 635 CG GLN A 40 16.328 -0.380 7.563 1.00 1.38 C ATOM 636 CD GLN A 40 17.804 0.015 7.484 1.00 1.91 C ATOM 637 OE1 GLN A 40 18.628 -0.526 8.194 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.175 0.942 6.643 1.00 2.43 N ATOM 0 H GLN A 40 15.232 -2.185 9.056 1.00 0.42 H new ATOM 0 HA GLN A 40 13.966 -1.420 6.628 1.00 0.43 H new ATOM 0 HB2 GLN A 40 16.813 -2.436 7.106 1.00 0.53 H new ATOM 0 HB3 GLN A 40 16.284 -1.506 5.718 1.00 0.53 H new ATOM 0 HG2 GLN A 40 15.705 0.416 7.155 1.00 1.38 H new ATOM 0 HG3 GLN A 40 16.032 -0.516 8.603 1.00 1.38 H new ATOM 0 HE21 GLN A 40 17.483 1.396 6.047 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.157 1.212 6.582 1.00 2.43 H new ATOM 647 N SER A 41 14.691 -4.588 6.884 1.00 0.31 N ATOM 648 CA SER A 41 14.520 -5.899 6.196 1.00 0.28 C ATOM 649 C SER A 41 13.043 -6.123 5.875 1.00 0.24 C ATOM 650 O SER A 41 12.685 -6.486 4.772 1.00 0.25 O ATOM 651 CB SER A 41 15.016 -7.020 7.108 1.00 0.29 C ATOM 652 OG SER A 41 14.091 -7.205 8.171 1.00 1.32 O ATOM 0 H SER A 41 14.987 -4.645 7.858 1.00 0.31 H new ATOM 0 HA SER A 41 15.095 -5.898 5.270 1.00 0.28 H new ATOM 0 HB2 SER A 41 15.125 -7.944 6.541 1.00 0.29 H new ATOM 0 HB3 SER A 41 16.000 -6.772 7.506 1.00 0.29 H new ATOM 0 HG SER A 41 14.064 -6.397 8.725 1.00 1.32 H new ATOM 658 N ARG A 42 12.181 -5.908 6.828 1.00 0.22 N ATOM 659 CA ARG A 42 10.729 -6.107 6.573 1.00 0.21 C ATOM 660 C ARG A 42 10.215 -4.975 5.680 1.00 0.20 C ATOM 661 O ARG A 42 9.371 -5.177 4.830 1.00 0.20 O ATOM 662 CB ARG A 42 9.974 -6.103 7.905 1.00 0.24 C ATOM 663 CG ARG A 42 10.604 -7.130 8.849 1.00 0.52 C ATOM 664 CD ARG A 42 9.774 -7.228 10.131 1.00 0.82 C ATOM 665 NE ARG A 42 8.513 -7.972 9.851 1.00 1.50 N ATOM 666 CZ ARG A 42 7.793 -8.432 10.837 1.00 1.92 C ATOM 667 NH1 ARG A 42 8.172 -8.236 12.071 1.00 1.83 N ATOM 668 NH2 ARG A 42 6.692 -9.087 10.590 1.00 2.91 N ATOM 0 H ARG A 42 12.419 -5.603 7.772 1.00 0.22 H new ATOM 0 HA ARG A 42 10.568 -7.062 6.073 1.00 0.21 H new ATOM 0 HB2 ARG A 42 10.010 -5.110 8.353 1.00 0.24 H new ATOM 0 HB3 ARG A 42 8.923 -6.340 7.741 1.00 0.24 H new ATOM 0 HG2 ARG A 42 10.655 -8.104 8.362 1.00 0.52 H new ATOM 0 HG3 ARG A 42 11.627 -6.840 9.088 1.00 0.52 H new ATOM 0 HD2 ARG A 42 10.344 -7.737 10.908 1.00 0.82 H new ATOM 0 HD3 ARG A 42 9.545 -6.230 10.506 1.00 0.82 H new ATOM 0 HE ARG A 42 8.213 -8.122 8.888 1.00 1.50 H new ATOM 0 HH11 ARG A 42 9.032 -7.723 12.265 1.00 1.83 H new ATOM 0 HH12 ARG A 42 7.608 -8.596 12.841 1.00 1.83 H new ATOM 0 HH21 ARG A 42 6.394 -9.239 9.626 1.00 2.91 H new ATOM 0 HH22 ARG A 42 6.129 -9.447 11.361 1.00 2.91 H new ATOM 682 N PHE A 43 10.706 -3.783 5.880 1.00 0.22 N ATOM 683 CA PHE A 43 10.240 -2.630 5.059 1.00 0.24 C ATOM 684 C PHE A 43 10.365 -2.953 3.564 1.00 0.23 C ATOM 685 O PHE A 43 9.421 -2.812 2.813 1.00 0.23 O ATOM 686 CB PHE A 43 11.091 -1.393 5.398 1.00 0.28 C ATOM 687 CG PHE A 43 10.298 -0.130 5.130 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.000 0.244 3.814 1.00 1.40 C ATOM 689 CD2 PHE A 43 9.860 0.662 6.199 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.264 1.409 3.568 1.00 1.48 C ATOM 691 CE2 PHE A 43 9.125 1.827 5.953 1.00 1.22 C ATOM 692 CZ PHE A 43 8.827 2.200 4.637 1.00 0.70 C ATOM 0 H PHE A 43 11.413 -3.557 6.580 1.00 0.22 H new ATOM 0 HA PHE A 43 9.192 -2.430 5.284 1.00 0.24 H new ATOM 0 HB2 PHE A 43 11.395 -1.426 6.444 1.00 0.28 H new ATOM 0 HB3 PHE A 43 12.003 -1.394 4.801 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.338 -0.366 2.989 1.00 1.40 H new ATOM 0 HD2 PHE A 43 10.090 0.373 7.214 1.00 1.18 H new ATOM 0 HE1 PHE A 43 9.033 1.698 2.553 1.00 1.48 H new ATOM 0 HE2 PHE A 43 8.788 2.438 6.777 1.00 1.22 H new ATOM 0 HZ PHE A 43 8.259 3.099 4.446 1.00 0.70 H new ATOM 702 N ASN A 44 11.520 -3.374 3.120 1.00 0.24 N ATOM 703 CA ASN A 44 11.693 -3.688 1.673 1.00 0.24 C ATOM 704 C ASN A 44 10.881 -4.933 1.309 1.00 0.22 C ATOM 705 O ASN A 44 10.324 -5.029 0.234 1.00 0.23 O ATOM 706 CB ASN A 44 13.175 -3.943 1.390 1.00 0.25 C ATOM 707 CG ASN A 44 13.407 -4.008 -0.120 1.00 0.95 C ATOM 708 OD1 ASN A 44 12.629 -4.601 -0.841 1.00 1.73 O ATOM 709 ND2 ASN A 44 14.452 -3.418 -0.633 1.00 1.67 N ATOM 0 H ASN A 44 12.350 -3.514 3.697 1.00 0.24 H new ATOM 0 HA ASN A 44 11.341 -2.847 1.075 1.00 0.24 H new ATOM 0 HB2 ASN A 44 13.781 -3.149 1.827 1.00 0.25 H new ATOM 0 HB3 ASN A 44 13.489 -4.877 1.857 1.00 0.25 H new ATOM 0 HD21 ASN A 44 14.616 -3.455 -1.639 1.00 1.67 H new ATOM 0 HD22 ASN A 44 15.105 -2.920 -0.028 1.00 1.67 H new ATOM 716 N TYR A 45 10.813 -5.890 2.193 1.00 0.21 N ATOM 717 CA TYR A 45 10.041 -7.128 1.891 1.00 0.20 C ATOM 718 C TYR A 45 8.582 -6.765 1.602 1.00 0.21 C ATOM 719 O TYR A 45 7.933 -7.377 0.777 1.00 0.22 O ATOM 720 CB TYR A 45 10.114 -8.073 3.092 1.00 0.20 C ATOM 721 CG TYR A 45 9.398 -9.370 2.776 1.00 0.21 C ATOM 722 CD1 TYR A 45 9.869 -10.199 1.749 1.00 1.12 C ATOM 723 CD2 TYR A 45 8.267 -9.747 3.514 1.00 1.33 C ATOM 724 CE1 TYR A 45 9.209 -11.400 1.460 1.00 1.05 C ATOM 725 CE2 TYR A 45 7.610 -10.948 3.225 1.00 1.43 C ATOM 726 CZ TYR A 45 8.080 -11.774 2.197 1.00 0.43 C ATOM 727 OH TYR A 45 7.432 -12.959 1.913 1.00 0.57 O ATOM 0 H TYR A 45 11.258 -5.868 3.110 1.00 0.21 H new ATOM 0 HA TYR A 45 10.465 -7.621 1.016 1.00 0.20 H new ATOM 0 HB2 TYR A 45 11.155 -8.275 3.343 1.00 0.20 H new ATOM 0 HB3 TYR A 45 9.661 -7.601 3.964 1.00 0.20 H new ATOM 0 HD1 TYR A 45 10.741 -9.912 1.180 1.00 1.12 H new ATOM 0 HD2 TYR A 45 7.903 -9.110 4.306 1.00 1.33 H new ATOM 0 HE1 TYR A 45 9.572 -12.038 0.668 1.00 1.05 H new ATOM 0 HE2 TYR A 45 6.740 -11.238 3.795 1.00 1.43 H new ATOM 0 HH TYR A 45 6.669 -13.068 2.518 1.00 0.57 H new ATOM 737 N ALA A 46 8.062 -5.772 2.272 1.00 0.22 N ATOM 738 CA ALA A 46 6.647 -5.369 2.031 1.00 0.24 C ATOM 739 C ALA A 46 6.548 -4.632 0.698 1.00 0.25 C ATOM 740 O ALA A 46 5.538 -4.680 0.023 1.00 0.28 O ATOM 741 CB ALA A 46 6.178 -4.447 3.156 1.00 0.26 C ATOM 0 H ALA A 46 8.556 -5.223 2.975 1.00 0.22 H new ATOM 0 HA ALA A 46 6.018 -6.258 2.004 1.00 0.24 H new ATOM 0 HB1 ALA A 46 5.143 -4.153 2.978 1.00 0.26 H new ATOM 0 HB2 ALA A 46 6.248 -4.971 4.109 1.00 0.26 H new ATOM 0 HB3 ALA A 46 6.808 -3.558 3.184 1.00 0.26 H new ATOM 747 N TRP A 47 7.587 -3.948 0.312 1.00 0.26 N ATOM 748 CA TRP A 47 7.549 -3.206 -0.975 1.00 0.29 C ATOM 749 C TRP A 47 7.456 -4.201 -2.136 1.00 0.29 C ATOM 750 O TRP A 47 6.678 -4.018 -3.051 1.00 0.29 O ATOM 751 CB TRP A 47 8.814 -2.346 -1.102 1.00 0.33 C ATOM 752 CG TRP A 47 8.922 -1.763 -2.479 1.00 0.34 C ATOM 753 CD1 TRP A 47 9.957 -1.976 -3.324 1.00 0.38 C ATOM 754 CD2 TRP A 47 7.999 -0.873 -3.182 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.730 -1.283 -4.498 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.538 -0.590 -4.461 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.760 -0.291 -2.845 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.874 0.237 -5.369 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.092 0.541 -3.758 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.648 0.804 -5.017 1.00 0.44 C ATOM 0 H TRP A 47 8.461 -3.871 0.833 1.00 0.26 H new ATOM 0 HA TRP A 47 6.676 -2.554 -1.003 1.00 0.29 H new ATOM 0 HB2 TRP A 47 8.791 -1.545 -0.363 1.00 0.33 H new ATOM 0 HB3 TRP A 47 9.695 -2.952 -0.888 1.00 0.33 H new ATOM 0 HD1 TRP A 47 10.821 -2.589 -3.115 1.00 0.38 H new ATOM 0 HE1 TRP A 47 10.367 -1.284 -5.295 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.321 -0.486 -1.878 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.306 0.437 -6.338 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.143 0.981 -3.488 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.129 1.445 -5.714 1.00 0.44 H new ATOM 771 N GLY A 48 8.242 -5.246 -2.123 1.00 0.29 N ATOM 772 CA GLY A 48 8.185 -6.225 -3.243 1.00 0.30 C ATOM 773 C GLY A 48 6.809 -6.887 -3.287 1.00 0.27 C ATOM 774 O GLY A 48 6.276 -7.163 -4.343 1.00 0.29 O ATOM 0 H GLY A 48 8.916 -5.461 -1.389 1.00 0.29 H new ATOM 0 HA2 GLY A 48 8.386 -5.721 -4.188 1.00 0.30 H new ATOM 0 HA3 GLY A 48 8.958 -6.982 -3.115 1.00 0.30 H new ATOM 778 N LEU A 49 6.233 -7.155 -2.150 1.00 0.25 N ATOM 779 CA LEU A 49 4.896 -7.811 -2.135 1.00 0.24 C ATOM 780 C LEU A 49 3.862 -6.887 -2.778 1.00 0.24 C ATOM 781 O LEU A 49 2.876 -7.336 -3.327 1.00 0.29 O ATOM 782 CB LEU A 49 4.489 -8.128 -0.691 1.00 0.23 C ATOM 783 CG LEU A 49 5.379 -9.248 -0.121 1.00 0.23 C ATOM 784 CD1 LEU A 49 5.229 -9.295 1.408 1.00 0.24 C ATOM 785 CD2 LEU A 49 4.967 -10.615 -0.704 1.00 0.26 C ATOM 0 H LEU A 49 6.628 -6.949 -1.232 1.00 0.25 H new ATOM 0 HA LEU A 49 4.945 -8.741 -2.702 1.00 0.24 H new ATOM 0 HB2 LEU A 49 4.579 -7.233 -0.075 1.00 0.23 H new ATOM 0 HB3 LEU A 49 3.443 -8.433 -0.659 1.00 0.23 H new ATOM 0 HG LEU A 49 6.414 -9.040 -0.392 1.00 0.23 H new ATOM 0 HD11 LEU A 49 5.859 -10.088 1.811 1.00 0.24 H new ATOM 0 HD12 LEU A 49 5.533 -8.338 1.833 1.00 0.24 H new ATOM 0 HD13 LEU A 49 4.188 -9.492 1.666 1.00 0.24 H new ATOM 0 HD21 LEU A 49 5.607 -11.395 -0.290 1.00 0.26 H new ATOM 0 HD22 LEU A 49 3.929 -10.823 -0.446 1.00 0.26 H new ATOM 0 HD23 LEU A 49 5.074 -10.595 -1.789 1.00 0.26 H new ATOM 797 N ILE A 50 4.075 -5.602 -2.723 1.00 0.24 N ATOM 798 CA ILE A 50 3.097 -4.669 -3.343 1.00 0.26 C ATOM 799 C ILE A 50 3.300 -4.639 -4.860 1.00 0.27 C ATOM 800 O ILE A 50 2.372 -4.390 -5.601 1.00 0.29 O ATOM 801 CB ILE A 50 3.279 -3.263 -2.769 1.00 0.28 C ATOM 802 CG1 ILE A 50 2.895 -3.269 -1.288 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.376 -2.279 -3.519 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.317 -1.948 -0.644 1.00 0.73 C ATOM 0 H ILE A 50 4.880 -5.160 -2.278 1.00 0.24 H new ATOM 0 HA ILE A 50 2.087 -5.015 -3.122 1.00 0.26 H new ATOM 0 HB ILE A 50 4.320 -2.959 -2.881 1.00 0.28 H new ATOM 0 HG12 ILE A 50 1.819 -3.410 -1.181 1.00 0.32 H new ATOM 0 HG13 ILE A 50 3.378 -4.104 -0.780 1.00 0.32 H new ATOM 0 HG21 ILE A 50 2.508 -1.278 -3.108 1.00 0.32 H new ATOM 0 HG22 ILE A 50 2.641 -2.275 -4.576 1.00 0.32 H new ATOM 0 HG23 ILE A 50 1.335 -2.583 -3.407 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.043 -1.954 0.411 1.00 0.73 H new ATOM 0 HD12 ILE A 50 4.396 -1.826 -0.738 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.813 -1.122 -1.145 1.00 0.73 H new ATOM 816 N LYS A 51 4.494 -4.891 -5.340 1.00 0.28 N ATOM 817 CA LYS A 51 4.721 -4.871 -6.812 1.00 0.31 C ATOM 818 C LYS A 51 4.150 -6.148 -7.430 1.00 0.31 C ATOM 819 O LYS A 51 4.013 -6.259 -8.631 1.00 0.36 O ATOM 820 CB LYS A 51 6.228 -4.809 -7.078 1.00 0.37 C ATOM 821 CG LYS A 51 6.797 -3.497 -6.518 1.00 0.72 C ATOM 822 CD LYS A 51 8.300 -3.357 -6.881 1.00 0.79 C ATOM 823 CE LYS A 51 8.474 -2.437 -8.097 1.00 0.87 C ATOM 824 NZ LYS A 51 9.907 -2.421 -8.508 1.00 1.58 N ATOM 0 H LYS A 51 5.315 -5.108 -4.776 1.00 0.28 H new ATOM 0 HA LYS A 51 4.229 -4.004 -7.253 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.725 -5.660 -6.613 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.421 -4.873 -8.149 1.00 0.37 H new ATOM 0 HG2 LYS A 51 6.239 -2.651 -6.920 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.675 -3.474 -5.435 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.850 -2.954 -6.031 1.00 0.79 H new ATOM 0 HD3 LYS A 51 8.721 -4.339 -7.097 1.00 0.79 H new ATOM 0 HE2 LYS A 51 7.852 -2.785 -8.922 1.00 0.87 H new ATOM 0 HE3 LYS A 51 8.143 -1.427 -7.853 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 10.098 -1.566 -9.069 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 10.511 -2.421 -7.661 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 10.113 -3.264 -9.081 1.00 1.58 H new ATOM 838 N SER A 52 3.818 -7.113 -6.618 1.00 0.32 N ATOM 839 CA SER A 52 3.258 -8.382 -7.161 1.00 0.34 C ATOM 840 C SER A 52 1.961 -8.080 -7.914 1.00 0.35 C ATOM 841 O SER A 52 1.293 -7.101 -7.646 1.00 0.36 O ATOM 842 CB SER A 52 2.968 -9.340 -6.008 1.00 0.36 C ATOM 843 OG SER A 52 2.197 -10.433 -6.487 1.00 1.14 O ATOM 0 H SER A 52 3.910 -7.078 -5.603 1.00 0.32 H new ATOM 0 HA SER A 52 3.976 -8.840 -7.842 1.00 0.34 H new ATOM 0 HB2 SER A 52 3.902 -9.700 -5.576 1.00 0.36 H new ATOM 0 HB3 SER A 52 2.430 -8.820 -5.215 1.00 0.36 H new ATOM 0 HG SER A 52 2.011 -11.050 -5.749 1.00 1.14 H new ATOM 849 N THR A 53 1.601 -8.908 -8.858 1.00 0.38 N ATOM 850 CA THR A 53 0.349 -8.660 -9.628 1.00 0.41 C ATOM 851 C THR A 53 -0.856 -9.163 -8.832 1.00 0.40 C ATOM 852 O THR A 53 -1.938 -8.617 -8.916 1.00 0.52 O ATOM 853 CB THR A 53 0.423 -9.399 -10.966 1.00 0.46 C ATOM 854 OG1 THR A 53 0.463 -10.799 -10.729 1.00 0.51 O ATOM 855 CG2 THR A 53 1.685 -8.970 -11.716 1.00 0.49 C ATOM 0 H THR A 53 2.119 -9.744 -9.128 1.00 0.38 H new ATOM 0 HA THR A 53 0.239 -7.590 -9.806 1.00 0.41 H new ATOM 0 HB THR A 53 -0.454 -9.157 -11.566 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.509 -11.274 -11.585 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.738 -9.496 -12.669 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.654 -7.895 -11.896 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.564 -9.212 -11.118 1.00 0.49 H new ATOM 863 N ASP A 54 -0.685 -10.200 -8.055 1.00 0.39 N ATOM 864 CA ASP A 54 -1.833 -10.721 -7.260 1.00 0.38 C ATOM 865 C ASP A 54 -2.093 -9.786 -6.074 1.00 0.37 C ATOM 866 O ASP A 54 -1.201 -9.159 -5.538 1.00 0.36 O ATOM 867 CB ASP A 54 -1.548 -12.146 -6.771 1.00 0.38 C ATOM 868 CG ASP A 54 -1.184 -13.040 -7.959 1.00 1.31 C ATOM 869 OD1 ASP A 54 -1.925 -13.040 -8.927 1.00 2.18 O ATOM 870 OD2 ASP A 54 -0.169 -13.715 -7.877 1.00 1.86 O ATOM 0 H ASP A 54 0.193 -10.705 -7.938 1.00 0.39 H new ATOM 0 HA ASP A 54 -2.721 -10.755 -7.892 1.00 0.38 H new ATOM 0 HB2 ASP A 54 -0.732 -12.136 -6.049 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -2.423 -12.546 -6.258 1.00 0.38 H new ATOM 875 N VAL A 55 -3.340 -9.698 -5.689 1.00 0.37 N ATOM 876 CA VAL A 55 -3.753 -8.815 -4.560 1.00 0.37 C ATOM 877 C VAL A 55 -3.453 -9.501 -3.223 1.00 0.35 C ATOM 878 O VAL A 55 -3.387 -8.870 -2.187 1.00 0.35 O ATOM 879 CB VAL A 55 -5.259 -8.521 -4.683 1.00 0.39 C ATOM 880 CG1 VAL A 55 -6.080 -9.723 -4.201 1.00 0.42 C ATOM 881 CG2 VAL A 55 -5.611 -7.297 -3.837 1.00 0.40 C ATOM 0 H VAL A 55 -4.106 -10.214 -6.121 1.00 0.37 H new ATOM 0 HA VAL A 55 -3.195 -7.879 -4.599 1.00 0.37 H new ATOM 0 HB VAL A 55 -5.494 -8.328 -5.730 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -7.143 -9.499 -4.294 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -5.838 -10.596 -4.808 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -5.843 -9.930 -3.157 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -6.677 -7.089 -3.924 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -5.364 -7.492 -2.794 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -5.043 -6.436 -4.189 1.00 0.40 H new ATOM 891 N ASN A 56 -3.257 -10.786 -3.249 1.00 0.34 N ATOM 892 CA ASN A 56 -2.947 -11.522 -1.992 1.00 0.34 C ATOM 893 C ASN A 56 -1.673 -10.944 -1.372 1.00 0.31 C ATOM 894 O ASN A 56 -1.629 -10.615 -0.201 1.00 0.31 O ATOM 895 CB ASN A 56 -2.728 -13.001 -2.314 1.00 0.36 C ATOM 896 CG ASN A 56 -2.317 -13.745 -1.041 1.00 1.34 C ATOM 897 OD1 ASN A 56 -1.377 -14.514 -1.050 1.00 2.14 O ATOM 898 ND2 ASN A 56 -2.986 -13.547 0.063 1.00 2.11 N ATOM 0 H ASN A 56 -3.298 -11.363 -4.089 1.00 0.34 H new ATOM 0 HA ASN A 56 -3.775 -11.419 -1.291 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -3.641 -13.434 -2.723 1.00 0.36 H new ATOM 0 HB3 ASN A 56 -1.956 -13.108 -3.076 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -2.719 -14.038 0.916 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -3.776 -12.901 0.072 1.00 2.11 H new ATOM 905 N ASP A 57 -0.635 -10.818 -2.150 1.00 0.30 N ATOM 906 CA ASP A 57 0.640 -10.267 -1.617 1.00 0.30 C ATOM 907 C ASP A 57 0.467 -8.783 -1.278 1.00 0.29 C ATOM 908 O ASP A 57 1.071 -8.275 -0.354 1.00 0.28 O ATOM 909 CB ASP A 57 1.730 -10.422 -2.677 1.00 0.33 C ATOM 910 CG ASP A 57 2.151 -11.890 -2.765 1.00 0.42 C ATOM 911 OD1 ASP A 57 1.563 -12.698 -2.065 1.00 1.09 O ATOM 912 OD2 ASP A 57 3.053 -12.182 -3.533 1.00 1.23 O ATOM 0 H ASP A 57 -0.616 -11.074 -3.137 1.00 0.30 H new ATOM 0 HA ASP A 57 0.919 -10.808 -0.713 1.00 0.30 H new ATOM 0 HB2 ASP A 57 1.363 -10.079 -3.644 1.00 0.33 H new ATOM 0 HB3 ASP A 57 2.589 -9.801 -2.424 1.00 0.33 H new ATOM 917 N GLU A 58 -0.347 -8.083 -2.020 1.00 0.33 N ATOM 918 CA GLU A 58 -0.552 -6.631 -1.742 1.00 0.36 C ATOM 919 C GLU A 58 -1.136 -6.445 -0.338 1.00 0.34 C ATOM 920 O GLU A 58 -0.773 -5.534 0.379 1.00 0.34 O ATOM 921 CB GLU A 58 -1.521 -6.048 -2.773 1.00 0.42 C ATOM 922 CG GLU A 58 -0.867 -6.056 -4.156 1.00 0.92 C ATOM 923 CD GLU A 58 -1.882 -5.589 -5.201 1.00 1.66 C ATOM 924 OE1 GLU A 58 -2.821 -4.908 -4.823 1.00 2.45 O ATOM 925 OE2 GLU A 58 -1.703 -5.920 -6.361 1.00 2.21 O ATOM 0 H GLU A 58 -0.880 -8.453 -2.807 1.00 0.33 H new ATOM 0 HA GLU A 58 0.407 -6.117 -1.804 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -2.442 -6.631 -2.792 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.794 -5.030 -2.495 1.00 0.42 H new ATOM 0 HG2 GLU A 58 0.005 -5.402 -4.162 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.515 -7.059 -4.398 1.00 0.92 H new ATOM 932 N ARG A 59 -2.042 -7.297 0.056 1.00 0.33 N ATOM 933 CA ARG A 59 -2.655 -7.167 1.411 1.00 0.34 C ATOM 934 C ARG A 59 -1.644 -7.576 2.480 1.00 0.30 C ATOM 935 O ARG A 59 -1.711 -7.131 3.609 1.00 0.31 O ATOM 936 CB ARG A 59 -3.878 -8.083 1.510 1.00 0.40 C ATOM 937 CG ARG A 59 -4.975 -7.596 0.563 1.00 0.68 C ATOM 938 CD ARG A 59 -6.218 -8.472 0.738 1.00 0.95 C ATOM 939 NE ARG A 59 -7.347 -7.898 -0.047 1.00 1.62 N ATOM 940 CZ ARG A 59 -8.409 -8.618 -0.288 1.00 2.13 C ATOM 941 NH1 ARG A 59 -8.480 -9.845 0.151 1.00 2.23 N ATOM 942 NH2 ARG A 59 -9.399 -8.112 -0.970 1.00 3.12 N ATOM 0 H ARG A 59 -2.386 -8.079 -0.502 1.00 0.33 H new ATOM 0 HA ARG A 59 -2.953 -6.130 1.567 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -3.598 -9.106 1.259 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -4.250 -8.097 2.534 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -5.217 -6.554 0.773 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -4.627 -7.640 -0.469 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -6.009 -9.488 0.404 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -6.488 -8.532 1.792 1.00 0.95 H new ATOM 0 HE ARG A 59 -7.290 -6.941 -0.396 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -7.705 -10.242 0.683 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -9.310 -10.407 -0.038 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -9.343 -7.154 -1.315 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -10.229 -8.675 -1.158 1.00 3.12 H new ATOM 956 N LEU A 60 -0.704 -8.412 2.140 1.00 0.28 N ATOM 957 CA LEU A 60 0.305 -8.830 3.151 1.00 0.27 C ATOM 958 C LEU A 60 1.254 -7.659 3.412 1.00 0.25 C ATOM 959 O LEU A 60 1.655 -7.410 4.532 1.00 0.26 O ATOM 960 CB LEU A 60 1.088 -10.037 2.618 1.00 0.29 C ATOM 961 CG LEU A 60 2.150 -10.483 3.635 1.00 0.30 C ATOM 962 CD1 LEU A 60 1.487 -10.864 4.970 1.00 0.32 C ATOM 963 CD2 LEU A 60 2.897 -11.696 3.067 1.00 0.34 C ATOM 0 H LEU A 60 -0.591 -8.821 1.213 1.00 0.28 H new ATOM 0 HA LEU A 60 -0.187 -9.112 4.082 1.00 0.27 H new ATOM 0 HB2 LEU A 60 0.403 -10.860 2.414 1.00 0.29 H new ATOM 0 HB3 LEU A 60 1.567 -9.779 1.673 1.00 0.29 H new ATOM 0 HG LEU A 60 2.846 -9.663 3.815 1.00 0.30 H new ATOM 0 HD11 LEU A 60 2.252 -11.178 5.680 1.00 0.32 H new ATOM 0 HD12 LEU A 60 0.953 -10.002 5.370 1.00 0.32 H new ATOM 0 HD13 LEU A 60 0.786 -11.682 4.807 1.00 0.32 H new ATOM 0 HD21 LEU A 60 3.654 -12.023 3.779 1.00 0.34 H new ATOM 0 HD22 LEU A 60 2.191 -12.507 2.889 1.00 0.34 H new ATOM 0 HD23 LEU A 60 3.377 -11.421 2.128 1.00 0.34 H new ATOM 975 N GLY A 61 1.618 -6.939 2.385 1.00 0.22 N ATOM 976 CA GLY A 61 2.542 -5.785 2.571 1.00 0.21 C ATOM 977 C GLY A 61 1.904 -4.743 3.494 1.00 0.20 C ATOM 978 O GLY A 61 2.549 -4.207 4.373 1.00 0.21 O ATOM 0 H GLY A 61 1.315 -7.101 1.425 1.00 0.22 H new ATOM 0 HA2 GLY A 61 3.485 -6.129 2.995 1.00 0.21 H new ATOM 0 HA3 GLY A 61 2.772 -5.334 1.606 1.00 0.21 H new ATOM 982 N VAL A 62 0.647 -4.444 3.302 1.00 0.20 N ATOM 983 CA VAL A 62 -0.012 -3.429 4.173 1.00 0.21 C ATOM 984 C VAL A 62 0.106 -3.873 5.638 1.00 0.22 C ATOM 985 O VAL A 62 0.494 -3.108 6.499 1.00 0.25 O ATOM 986 CB VAL A 62 -1.504 -3.281 3.760 1.00 0.23 C ATOM 987 CG1 VAL A 62 -2.387 -2.938 4.975 1.00 0.28 C ATOM 988 CG2 VAL A 62 -1.662 -2.169 2.706 1.00 0.31 C ATOM 0 H VAL A 62 0.051 -4.856 2.584 1.00 0.20 H new ATOM 0 HA VAL A 62 0.476 -2.461 4.057 1.00 0.21 H new ATOM 0 HB VAL A 62 -1.823 -4.237 3.344 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -3.424 -2.841 4.655 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -2.309 -3.732 5.717 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -2.053 -1.998 5.414 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -2.712 -2.078 2.428 1.00 0.31 H new ATOM 0 HG22 VAL A 62 -1.313 -1.223 3.120 1.00 0.31 H new ATOM 0 HG23 VAL A 62 -1.073 -2.418 1.823 1.00 0.31 H new ATOM 998 N LYS A 63 -0.238 -5.094 5.928 1.00 0.24 N ATOM 999 CA LYS A 63 -0.158 -5.570 7.335 1.00 0.28 C ATOM 1000 C LYS A 63 1.259 -5.351 7.872 1.00 0.26 C ATOM 1001 O LYS A 63 1.447 -4.937 8.999 1.00 0.29 O ATOM 1002 CB LYS A 63 -0.516 -7.055 7.382 1.00 0.33 C ATOM 1003 CG LYS A 63 -0.765 -7.476 8.832 1.00 0.47 C ATOM 1004 CD LYS A 63 -0.785 -9.004 8.931 1.00 0.58 C ATOM 1005 CE LYS A 63 -1.921 -9.564 8.071 1.00 1.60 C ATOM 1006 NZ LYS A 63 -2.207 -10.969 8.481 1.00 2.36 N ATOM 0 H LYS A 63 -0.571 -5.783 5.253 1.00 0.24 H new ATOM 0 HA LYS A 63 -0.859 -5.011 7.955 1.00 0.28 H new ATOM 0 HB2 LYS A 63 -1.404 -7.245 6.780 1.00 0.33 H new ATOM 0 HB3 LYS A 63 0.292 -7.648 6.954 1.00 0.33 H new ATOM 0 HG2 LYS A 63 0.014 -7.071 9.477 1.00 0.47 H new ATOM 0 HG3 LYS A 63 -1.713 -7.067 9.182 1.00 0.47 H new ATOM 0 HD2 LYS A 63 0.170 -9.412 8.599 1.00 0.58 H new ATOM 0 HD3 LYS A 63 -0.918 -9.309 9.969 1.00 0.58 H new ATOM 0 HE2 LYS A 63 -2.815 -8.951 8.186 1.00 1.60 H new ATOM 0 HE3 LYS A 63 -1.645 -9.530 7.017 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -2.979 -11.351 7.897 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 -1.354 -11.549 8.350 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 -2.488 -10.988 9.482 1.00 2.36 H new ATOM 1020 N ILE A 64 2.257 -5.613 7.074 1.00 0.25 N ATOM 1021 CA ILE A 64 3.658 -5.407 7.540 1.00 0.25 C ATOM 1022 C ILE A 64 3.926 -3.905 7.673 1.00 0.22 C ATOM 1023 O ILE A 64 4.411 -3.437 8.683 1.00 0.22 O ATOM 1024 CB ILE A 64 4.624 -6.028 6.518 1.00 0.28 C ATOM 1025 CG1 ILE A 64 4.598 -7.551 6.664 1.00 0.33 C ATOM 1026 CG2 ILE A 64 6.051 -5.526 6.763 1.00 0.32 C ATOM 1027 CD1 ILE A 64 5.222 -8.197 5.425 1.00 0.35 C ATOM 0 H ILE A 64 2.163 -5.961 6.120 1.00 0.25 H new ATOM 0 HA ILE A 64 3.806 -5.884 8.509 1.00 0.25 H new ATOM 0 HB ILE A 64 4.312 -5.740 5.514 1.00 0.28 H new ATOM 0 HG12 ILE A 64 5.146 -7.850 7.557 1.00 0.33 H new ATOM 0 HG13 ILE A 64 3.572 -7.897 6.789 1.00 0.33 H new ATOM 0 HG21 ILE A 64 6.725 -5.974 6.032 1.00 0.32 H new ATOM 0 HG22 ILE A 64 6.077 -4.441 6.664 1.00 0.32 H new ATOM 0 HG23 ILE A 64 6.368 -5.806 7.768 1.00 0.32 H new ATOM 0 HD11 ILE A 64 5.202 -9.282 5.531 1.00 0.35 H new ATOM 0 HD12 ILE A 64 4.655 -7.909 4.540 1.00 0.35 H new ATOM 0 HD13 ILE A 64 6.254 -7.861 5.320 1.00 0.35 H new ATOM 1039 N LEU A 65 3.608 -3.149 6.660 1.00 0.20 N ATOM 1040 CA LEU A 65 3.837 -1.681 6.720 1.00 0.19 C ATOM 1041 C LEU A 65 3.050 -1.086 7.888 1.00 0.19 C ATOM 1042 O LEU A 65 3.450 -0.096 8.469 1.00 0.20 O ATOM 1043 CB LEU A 65 3.372 -1.031 5.411 1.00 0.22 C ATOM 1044 CG LEU A 65 4.370 -1.341 4.273 1.00 0.29 C ATOM 1045 CD1 LEU A 65 3.646 -1.293 2.924 1.00 0.69 C ATOM 1046 CD2 LEU A 65 5.502 -0.303 4.264 1.00 0.42 C ATOM 0 H LEU A 65 3.198 -3.487 5.790 1.00 0.20 H new ATOM 0 HA LEU A 65 4.901 -1.490 6.862 1.00 0.19 H new ATOM 0 HB2 LEU A 65 2.381 -1.400 5.146 1.00 0.22 H new ATOM 0 HB3 LEU A 65 3.285 0.047 5.544 1.00 0.22 H new ATOM 0 HG LEU A 65 4.788 -2.334 4.437 1.00 0.29 H new ATOM 0 HD11 LEU A 65 4.353 -1.512 2.124 1.00 0.69 H new ATOM 0 HD12 LEU A 65 2.846 -2.033 2.914 1.00 0.69 H new ATOM 0 HD13 LEU A 65 3.223 -0.300 2.773 1.00 0.69 H new ATOM 0 HD21 LEU A 65 6.199 -0.532 3.458 1.00 0.42 H new ATOM 0 HD22 LEU A 65 5.083 0.691 4.110 1.00 0.42 H new ATOM 0 HD23 LEU A 65 6.029 -0.331 5.218 1.00 0.42 H new ATOM 1058 N THR A 66 1.943 -1.681 8.252 1.00 0.21 N ATOM 1059 CA THR A 66 1.151 -1.151 9.387 1.00 0.25 C ATOM 1060 C THR A 66 1.762 -1.647 10.696 1.00 0.28 C ATOM 1061 O THR A 66 1.681 -0.997 11.719 1.00 0.31 O ATOM 1062 CB THR A 66 -0.282 -1.668 9.269 1.00 0.29 C ATOM 1063 OG1 THR A 66 -0.848 -1.232 8.041 1.00 0.43 O ATOM 1064 CG2 THR A 66 -1.108 -1.138 10.432 1.00 0.36 C ATOM 0 H THR A 66 1.557 -2.514 7.806 1.00 0.21 H new ATOM 0 HA THR A 66 1.155 -0.061 9.372 1.00 0.25 H new ATOM 0 HB THR A 66 -0.278 -2.758 9.294 1.00 0.29 H new ATOM 0 HG1 THR A 66 -0.511 -1.790 7.309 1.00 0.43 H new ATOM 0 HG21 THR A 66 -2.131 -1.506 10.349 1.00 0.36 H new ATOM 0 HG22 THR A 66 -0.674 -1.480 11.372 1.00 0.36 H new ATOM 0 HG23 THR A 66 -1.111 -0.048 10.409 1.00 0.36 H new ATOM 1072 N ASP A 67 2.397 -2.787 10.663 1.00 0.29 N ATOM 1073 CA ASP A 67 3.034 -3.314 11.900 1.00 0.34 C ATOM 1074 C ASP A 67 4.290 -2.490 12.173 1.00 0.32 C ATOM 1075 O ASP A 67 4.558 -2.092 13.288 1.00 0.35 O ATOM 1076 CB ASP A 67 3.414 -4.786 11.709 1.00 0.40 C ATOM 1077 CG ASP A 67 2.145 -5.630 11.561 1.00 1.30 C ATOM 1078 OD1 ASP A 67 1.069 -5.057 11.589 1.00 2.12 O ATOM 1079 OD2 ASP A 67 2.273 -6.836 11.423 1.00 1.94 O ATOM 0 H ASP A 67 2.501 -3.374 9.835 1.00 0.29 H new ATOM 0 HA ASP A 67 2.341 -3.242 12.738 1.00 0.34 H new ATOM 0 HB2 ASP A 67 4.042 -4.898 10.825 1.00 0.40 H new ATOM 0 HB3 ASP A 67 3.997 -5.135 12.561 1.00 0.40 H new ATOM 1084 N ILE A 68 5.056 -2.223 11.149 1.00 0.30 N ATOM 1085 CA ILE A 68 6.295 -1.413 11.318 1.00 0.29 C ATOM 1086 C ILE A 68 5.905 0.021 11.686 1.00 0.27 C ATOM 1087 O ILE A 68 6.614 0.716 12.387 1.00 0.31 O ATOM 1088 CB ILE A 68 7.070 -1.413 9.997 1.00 0.30 C ATOM 1089 CG1 ILE A 68 7.412 -2.856 9.610 1.00 0.34 C ATOM 1090 CG2 ILE A 68 8.360 -0.606 10.154 1.00 0.33 C ATOM 1091 CD1 ILE A 68 7.830 -2.912 8.138 1.00 0.35 C ATOM 0 H ILE A 68 4.874 -2.535 10.195 1.00 0.30 H new ATOM 0 HA ILE A 68 6.918 -1.835 12.107 1.00 0.29 H new ATOM 0 HB ILE A 68 6.457 -0.960 9.218 1.00 0.30 H new ATOM 0 HG12 ILE A 68 8.218 -3.230 10.241 1.00 0.34 H new ATOM 0 HG13 ILE A 68 6.550 -3.501 9.778 1.00 0.34 H new ATOM 0 HG21 ILE A 68 8.908 -0.609 9.212 1.00 0.33 H new ATOM 0 HG22 ILE A 68 8.116 0.420 10.429 1.00 0.33 H new ATOM 0 HG23 ILE A 68 8.977 -1.054 10.934 1.00 0.33 H new ATOM 0 HD11 ILE A 68 8.072 -3.940 7.867 1.00 0.35 H new ATOM 0 HD12 ILE A 68 7.011 -2.556 7.513 1.00 0.35 H new ATOM 0 HD13 ILE A 68 8.705 -2.280 7.984 1.00 0.35 H new ATOM 1103 N TYR A 69 4.764 0.453 11.228 1.00 0.26 N ATOM 1104 CA TYR A 69 4.295 1.831 11.554 1.00 0.26 C ATOM 1105 C TYR A 69 4.146 1.948 13.072 1.00 0.28 C ATOM 1106 O TYR A 69 4.708 2.822 13.701 1.00 0.34 O ATOM 1107 CB TYR A 69 2.940 2.084 10.887 1.00 0.29 C ATOM 1108 CG TYR A 69 2.427 3.456 11.267 1.00 0.27 C ATOM 1109 CD1 TYR A 69 1.807 3.655 12.507 1.00 1.25 C ATOM 1110 CD2 TYR A 69 2.566 4.527 10.375 1.00 1.22 C ATOM 1111 CE1 TYR A 69 1.328 4.924 12.855 1.00 1.28 C ATOM 1112 CE2 TYR A 69 2.087 5.796 10.724 1.00 1.23 C ATOM 1113 CZ TYR A 69 1.468 5.994 11.964 1.00 0.38 C ATOM 1114 OH TYR A 69 0.994 7.245 12.307 1.00 0.47 O ATOM 0 H TYR A 69 4.132 -0.090 10.639 1.00 0.26 H new ATOM 0 HA TYR A 69 5.014 2.565 11.190 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.039 2.010 9.804 1.00 0.29 H new ATOM 0 HB3 TYR A 69 2.225 1.321 11.195 1.00 0.29 H new ATOM 0 HD1 TYR A 69 1.698 2.830 13.195 1.00 1.25 H new ATOM 0 HD2 TYR A 69 3.043 4.374 9.418 1.00 1.22 H new ATOM 0 HE1 TYR A 69 0.850 5.077 13.811 1.00 1.28 H new ATOM 0 HE2 TYR A 69 2.195 6.622 10.036 1.00 1.23 H new ATOM 0 HH TYR A 69 1.173 7.874 11.577 1.00 0.47 H new ATOM 1124 N LYS A 70 3.388 1.063 13.658 1.00 0.31 N ATOM 1125 CA LYS A 70 3.185 1.095 15.134 1.00 0.38 C ATOM 1126 C LYS A 70 4.420 0.559 15.861 1.00 0.38 C ATOM 1127 O LYS A 70 4.638 0.868 17.016 1.00 0.45 O ATOM 1128 CB LYS A 70 1.992 0.221 15.512 1.00 0.50 C ATOM 1129 CG LYS A 70 0.766 0.636 14.703 1.00 0.79 C ATOM 1130 CD LYS A 70 -0.394 -0.302 15.036 1.00 0.88 C ATOM 1131 CE LYS A 70 -1.603 0.060 14.176 1.00 1.50 C ATOM 1132 NZ LYS A 70 -2.064 1.434 14.525 1.00 2.26 N ATOM 0 H LYS A 70 2.896 0.312 13.173 1.00 0.31 H new ATOM 0 HA LYS A 70 3.008 2.130 15.427 1.00 0.38 H new ATOM 0 HB2 LYS A 70 2.224 -0.827 15.324 1.00 0.50 H new ATOM 0 HB3 LYS A 70 1.784 0.316 16.578 1.00 0.50 H new ATOM 0 HG2 LYS A 70 0.495 1.666 14.933 1.00 0.79 H new ATOM 0 HG3 LYS A 70 0.988 0.596 13.637 1.00 0.79 H new ATOM 0 HD2 LYS A 70 -0.103 -1.337 14.856 1.00 0.88 H new ATOM 0 HD3 LYS A 70 -0.649 -0.222 16.093 1.00 0.88 H new ATOM 0 HE2 LYS A 70 -1.340 0.010 13.119 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -2.407 -0.658 14.339 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -3.031 1.577 14.169 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -2.055 1.551 15.558 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 -1.429 2.134 14.091 1.00 2.26 H new ATOM 1146 N GLU A 71 5.233 -0.242 15.211 1.00 0.40 N ATOM 1147 CA GLU A 71 6.448 -0.794 15.889 1.00 0.52 C ATOM 1148 C GLU A 71 7.667 0.019 15.455 1.00 0.55 C ATOM 1149 O GLU A 71 8.733 -0.514 15.222 1.00 1.13 O ATOM 1150 CB GLU A 71 6.629 -2.260 15.465 1.00 0.63 C ATOM 1151 CG GLU A 71 7.525 -2.992 16.476 1.00 0.99 C ATOM 1152 CD GLU A 71 6.700 -3.413 17.697 1.00 1.55 C ATOM 1153 OE1 GLU A 71 5.689 -2.781 17.954 1.00 2.13 O ATOM 1154 OE2 GLU A 71 7.094 -4.363 18.353 1.00 2.27 O ATOM 0 H GLU A 71 5.107 -0.536 14.242 1.00 0.40 H new ATOM 0 HA GLU A 71 6.337 -0.737 16.972 1.00 0.52 H new ATOM 0 HB2 GLU A 71 5.658 -2.752 15.404 1.00 0.63 H new ATOM 0 HB3 GLU A 71 7.074 -2.308 14.471 1.00 0.63 H new ATOM 0 HG2 GLU A 71 7.973 -3.869 16.009 1.00 0.99 H new ATOM 0 HG3 GLU A 71 8.344 -2.343 16.786 1.00 0.99 H new ATOM 1161 N ALA A 72 7.512 1.305 15.333 1.00 0.59 N ATOM 1162 CA ALA A 72 8.654 2.157 14.902 1.00 0.57 C ATOM 1163 C ALA A 72 8.329 3.621 15.187 1.00 0.65 C ATOM 1164 O ALA A 72 7.363 3.934 15.854 1.00 1.23 O ATOM 1165 CB ALA A 72 8.897 1.972 13.401 1.00 0.60 C ATOM 0 H ALA A 72 6.642 1.805 15.513 1.00 0.59 H new ATOM 0 HA ALA A 72 9.550 1.867 15.451 1.00 0.57 H new ATOM 0 HB1 ALA A 72 9.734 2.597 13.088 1.00 0.60 H new ATOM 0 HB2 ALA A 72 9.128 0.927 13.196 1.00 0.60 H new ATOM 0 HB3 ALA A 72 8.002 2.261 12.849 1.00 0.60 H new ATOM 1171 N GLU A 73 9.136 4.520 14.688 1.00 0.71 N ATOM 1172 CA GLU A 73 8.895 5.980 14.925 1.00 0.77 C ATOM 1173 C GLU A 73 9.080 6.746 13.616 1.00 0.65 C ATOM 1174 O GLU A 73 8.295 6.613 12.698 1.00 1.06 O ATOM 1175 CB GLU A 73 9.896 6.494 15.962 1.00 1.08 C ATOM 1176 CG GLU A 73 9.730 5.708 17.263 1.00 1.79 C ATOM 1177 CD GLU A 73 10.641 6.301 18.339 1.00 2.15 C ATOM 1178 OE1 GLU A 73 10.523 7.487 18.599 1.00 2.62 O ATOM 1179 OE2 GLU A 73 11.442 5.559 18.883 1.00 2.60 O ATOM 0 H GLU A 73 9.958 4.307 14.122 1.00 0.71 H new ATOM 0 HA GLU A 73 7.879 6.129 15.291 1.00 0.77 H new ATOM 0 HB2 GLU A 73 10.913 6.385 15.586 1.00 1.08 H new ATOM 0 HB3 GLU A 73 9.735 7.557 16.143 1.00 1.08 H new ATOM 0 HG2 GLU A 73 8.691 5.743 17.591 1.00 1.79 H new ATOM 0 HG3 GLU A 73 9.977 4.659 17.100 1.00 1.79 H new ATOM 1186 N SER A 74 10.105 7.557 13.527 1.00 0.75 N ATOM 1187 CA SER A 74 10.339 8.342 12.282 1.00 0.62 C ATOM 1188 C SER A 74 10.071 7.488 11.038 1.00 0.55 C ATOM 1189 O SER A 74 9.686 7.999 10.021 1.00 0.63 O ATOM 1190 CB SER A 74 11.786 8.830 12.248 1.00 0.82 C ATOM 1191 OG SER A 74 12.059 9.568 13.430 1.00 1.55 O ATOM 0 H SER A 74 10.790 7.708 14.267 1.00 0.75 H new ATOM 0 HA SER A 74 9.655 9.191 12.280 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.466 7.982 12.169 1.00 0.82 H new ATOM 0 HB3 SER A 74 11.951 9.454 11.369 1.00 0.82 H new ATOM 0 HG SER A 74 12.987 9.882 13.413 1.00 1.55 H new ATOM 1197 N ARG A 75 10.269 6.198 11.097 1.00 0.48 N ATOM 1198 CA ARG A 75 10.014 5.364 9.887 1.00 0.45 C ATOM 1199 C ARG A 75 8.512 5.395 9.556 1.00 0.42 C ATOM 1200 O ARG A 75 8.062 4.753 8.628 1.00 0.50 O ATOM 1201 CB ARG A 75 10.474 3.909 10.159 1.00 0.52 C ATOM 1202 CG ARG A 75 11.850 3.646 9.517 1.00 0.81 C ATOM 1203 CD ARG A 75 12.935 4.471 10.226 1.00 1.10 C ATOM 1204 NE ARG A 75 14.025 4.780 9.260 1.00 1.49 N ATOM 1205 CZ ARG A 75 14.910 5.694 9.546 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.846 6.330 10.684 1.00 2.63 N ATOM 1207 NH2 ARG A 75 15.860 5.973 8.695 1.00 2.72 N ATOM 0 H ARG A 75 10.592 5.690 11.921 1.00 0.48 H new ATOM 0 HA ARG A 75 10.573 5.759 9.039 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.529 3.734 11.233 1.00 0.52 H new ATOM 0 HB3 ARG A 75 9.740 3.209 9.759 1.00 0.52 H new ATOM 0 HG2 ARG A 75 12.091 2.585 9.580 1.00 0.81 H new ATOM 0 HG3 ARG A 75 11.821 3.904 8.458 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.508 5.394 10.619 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.333 3.917 11.076 1.00 1.10 H new ATOM 0 HE ARG A 75 14.079 4.277 8.374 1.00 1.49 H new ATOM 0 HH11 ARG A 75 14.104 6.112 11.349 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.538 7.045 10.908 1.00 2.63 H new ATOM 0 HH21 ARG A 75 15.910 5.476 7.806 1.00 2.72 H new ATOM 0 HH22 ARG A 75 16.552 6.688 8.919 1.00 2.72 H new ATOM 1221 N ARG A 76 7.736 6.126 10.309 1.00 0.41 N ATOM 1222 CA ARG A 76 6.270 6.184 10.039 1.00 0.47 C ATOM 1223 C ARG A 76 5.982 7.039 8.799 1.00 0.43 C ATOM 1224 O ARG A 76 5.107 6.730 8.015 1.00 0.45 O ATOM 1225 CB ARG A 76 5.566 6.798 11.251 1.00 0.57 C ATOM 1226 CG ARG A 76 6.062 8.236 11.453 1.00 1.08 C ATOM 1227 CD ARG A 76 5.663 8.754 12.852 1.00 1.14 C ATOM 1228 NE ARG A 76 5.240 10.190 12.768 1.00 1.76 N ATOM 1229 CZ ARG A 76 5.946 11.072 12.107 1.00 2.01 C ATOM 1230 NH1 ARG A 76 7.102 10.753 11.595 1.00 1.55 N ATOM 1231 NH2 ARG A 76 5.510 12.297 11.996 1.00 3.05 N ATOM 0 H ARG A 76 8.054 6.686 11.100 1.00 0.41 H new ATOM 0 HA ARG A 76 5.902 5.174 9.858 1.00 0.47 H new ATOM 0 HB2 ARG A 76 4.486 6.792 11.100 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.767 6.203 12.142 1.00 0.57 H new ATOM 0 HG2 ARG A 76 7.146 8.272 11.341 1.00 1.08 H new ATOM 0 HG3 ARG A 76 5.640 8.884 10.685 1.00 1.08 H new ATOM 0 HD2 ARG A 76 4.849 8.150 13.254 1.00 1.14 H new ATOM 0 HD3 ARG A 76 6.503 8.654 13.539 1.00 1.14 H new ATOM 0 HE ARG A 76 4.383 10.486 13.236 1.00 1.76 H new ATOM 0 HH11 ARG A 76 7.466 9.807 11.707 1.00 1.55 H new ATOM 0 HH12 ARG A 76 7.642 11.450 11.082 1.00 1.55 H new ATOM 0 HH21 ARG A 76 4.623 12.563 12.423 1.00 3.05 H new ATOM 0 HH22 ARG A 76 6.056 12.988 11.482 1.00 3.05 H new ATOM 1245 N ARG A 77 6.694 8.120 8.623 1.00 0.40 N ATOM 1246 CA ARG A 77 6.436 8.996 7.440 1.00 0.43 C ATOM 1247 C ARG A 77 6.592 8.195 6.141 1.00 0.39 C ATOM 1248 O ARG A 77 5.801 8.329 5.228 1.00 0.39 O ATOM 1249 CB ARG A 77 7.413 10.182 7.445 1.00 0.48 C ATOM 1250 CG ARG A 77 8.848 9.663 7.443 1.00 1.10 C ATOM 1251 CD ARG A 77 9.817 10.775 7.860 1.00 1.24 C ATOM 1252 NE ARG A 77 9.494 12.052 7.141 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.408 12.107 5.837 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.767 11.093 5.101 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.021 13.211 5.261 1.00 3.22 N ATOM 0 H ARG A 77 7.440 8.435 9.243 1.00 0.40 H new ATOM 0 HA ARG A 77 5.415 9.373 7.498 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.242 10.811 6.571 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.242 10.804 8.324 1.00 0.48 H new ATOM 0 HG2 ARG A 77 8.937 8.818 8.126 1.00 1.10 H new ATOM 0 HG3 ARG A 77 9.108 9.298 6.449 1.00 1.10 H new ATOM 0 HD2 ARG A 77 9.757 10.932 8.937 1.00 1.24 H new ATOM 0 HD3 ARG A 77 10.841 10.475 7.638 1.00 1.24 H new ATOM 0 HE ARG A 77 9.337 12.901 7.684 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.120 10.243 5.541 1.00 2.43 H new ATOM 0 HH12 ARG A 77 9.695 11.149 4.085 1.00 2.43 H new ATOM 0 HH21 ARG A 77 8.787 14.027 5.827 1.00 3.22 H new ATOM 0 HH22 ARG A 77 8.952 13.259 4.244 1.00 3.22 H new ATOM 1269 N GLU A 78 7.598 7.362 6.036 1.00 0.36 N ATOM 1270 CA GLU A 78 7.772 6.573 4.782 1.00 0.36 C ATOM 1271 C GLU A 78 6.617 5.584 4.642 1.00 0.30 C ATOM 1272 O GLU A 78 6.116 5.347 3.561 1.00 0.32 O ATOM 1273 CB GLU A 78 9.093 5.792 4.826 1.00 0.40 C ATOM 1274 CG GLU A 78 10.284 6.758 4.965 1.00 0.91 C ATOM 1275 CD GLU A 78 10.529 7.068 6.442 1.00 1.56 C ATOM 1276 OE1 GLU A 78 9.625 6.841 7.226 1.00 2.13 O ATOM 1277 OE2 GLU A 78 11.616 7.521 6.763 1.00 2.33 O ATOM 0 H GLU A 78 8.299 7.197 6.758 1.00 0.36 H new ATOM 0 HA GLU A 78 7.786 7.257 3.934 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.083 5.095 5.664 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.202 5.198 3.918 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.177 6.315 4.524 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.082 7.680 4.419 1.00 0.91 H new ATOM 1284 N CYS A 79 6.192 5.001 5.729 1.00 0.27 N ATOM 1285 CA CYS A 79 5.072 4.024 5.661 1.00 0.25 C ATOM 1286 C CYS A 79 3.815 4.718 5.130 1.00 0.23 C ATOM 1287 O CYS A 79 3.116 4.191 4.288 1.00 0.24 O ATOM 1288 CB CYS A 79 4.801 3.468 7.060 1.00 0.29 C ATOM 1289 SG CYS A 79 6.144 2.350 7.534 1.00 1.19 S ATOM 0 H CYS A 79 6.573 5.160 6.662 1.00 0.27 H new ATOM 0 HA CYS A 79 5.340 3.208 4.990 1.00 0.25 H new ATOM 0 HB2 CYS A 79 4.722 4.284 7.778 1.00 0.29 H new ATOM 0 HB3 CYS A 79 3.849 2.937 7.074 1.00 0.29 H new ATOM 0 HG CYS A 79 7.045 2.333 6.597 1.00 1.19 H new ATOM 1295 N LEU A 80 3.522 5.895 5.612 1.00 0.23 N ATOM 1296 CA LEU A 80 2.308 6.612 5.127 1.00 0.23 C ATOM 1297 C LEU A 80 2.364 6.723 3.600 1.00 0.21 C ATOM 1298 O LEU A 80 1.363 6.596 2.924 1.00 0.21 O ATOM 1299 CB LEU A 80 2.253 8.014 5.747 1.00 0.26 C ATOM 1300 CG LEU A 80 1.984 7.917 7.259 1.00 0.27 C ATOM 1301 CD1 LEU A 80 2.128 9.310 7.882 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.561 7.381 7.523 1.00 0.42 C ATOM 0 H LEU A 80 4.068 6.390 6.318 1.00 0.23 H new ATOM 0 HA LEU A 80 1.416 6.058 5.420 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.194 8.535 5.570 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.469 8.601 5.268 1.00 0.26 H new ATOM 0 HG LEU A 80 2.703 7.230 7.705 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.939 9.251 8.954 1.00 0.34 H new ATOM 0 HD12 LEU A 80 3.138 9.682 7.712 1.00 0.34 H new ATOM 0 HD13 LEU A 80 1.409 9.989 7.424 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.389 7.319 8.598 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.170 8.055 7.077 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.458 6.390 7.082 1.00 0.42 H new ATOM 1314 N TYR A 81 3.524 6.963 3.051 1.00 0.22 N ATOM 1315 CA TYR A 81 3.637 7.085 1.567 1.00 0.23 C ATOM 1316 C TYR A 81 3.351 5.732 0.906 1.00 0.22 C ATOM 1317 O TYR A 81 2.547 5.628 0.000 1.00 0.22 O ATOM 1318 CB TYR A 81 5.052 7.537 1.201 1.00 0.26 C ATOM 1319 CG TYR A 81 5.176 7.636 -0.302 1.00 0.30 C ATOM 1320 CD1 TYR A 81 4.529 8.670 -0.988 1.00 1.05 C ATOM 1321 CD2 TYR A 81 5.937 6.695 -1.009 1.00 1.26 C ATOM 1322 CE1 TYR A 81 4.643 8.765 -2.380 1.00 1.04 C ATOM 1323 CE2 TYR A 81 6.051 6.791 -2.401 1.00 1.31 C ATOM 1324 CZ TYR A 81 5.403 7.825 -3.087 1.00 0.46 C ATOM 1325 OH TYR A 81 5.515 7.920 -4.459 1.00 0.55 O ATOM 0 H TYR A 81 4.398 7.080 3.564 1.00 0.22 H new ATOM 0 HA TYR A 81 2.911 7.817 1.213 1.00 0.23 H new ATOM 0 HB2 TYR A 81 5.267 8.503 1.659 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.784 6.830 1.591 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.942 9.395 -0.444 1.00 1.05 H new ATOM 0 HD2 TYR A 81 6.435 5.896 -0.480 1.00 1.26 H new ATOM 0 HE1 TYR A 81 4.144 9.564 -2.909 1.00 1.04 H new ATOM 0 HE2 TYR A 81 6.639 6.067 -2.946 1.00 1.31 H new ATOM 0 HH TYR A 81 6.443 7.748 -4.724 1.00 0.55 H new ATOM 1335 N TYR A 82 4.007 4.695 1.351 1.00 0.23 N ATOM 1336 CA TYR A 82 3.778 3.345 0.747 1.00 0.23 C ATOM 1337 C TYR A 82 2.389 2.815 1.122 1.00 0.22 C ATOM 1338 O TYR A 82 1.766 2.110 0.352 1.00 0.24 O ATOM 1339 CB TYR A 82 4.838 2.364 1.254 1.00 0.25 C ATOM 1340 CG TYR A 82 6.161 2.648 0.584 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.355 2.298 -0.758 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.196 3.254 1.306 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.583 2.556 -1.377 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.423 3.512 0.687 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.617 3.163 -0.655 1.00 0.31 C ATOM 1346 OH TYR A 82 9.828 3.416 -1.266 1.00 0.36 O ATOM 0 H TYR A 82 4.692 4.721 2.106 1.00 0.23 H new ATOM 0 HA TYR A 82 3.845 3.439 -0.337 1.00 0.23 H new ATOM 0 HB2 TYR A 82 4.941 2.453 2.335 1.00 0.25 H new ATOM 0 HB3 TYR A 82 4.528 1.340 1.047 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.557 1.829 -1.315 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.047 3.522 2.341 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.733 2.287 -2.412 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.221 3.980 1.244 1.00 1.12 H new ATOM 0 HH TYR A 82 10.435 3.842 -0.625 1.00 0.36 H new ATOM 1356 N LEU A 83 1.878 3.156 2.276 1.00 0.21 N ATOM 1357 CA LEU A 83 0.525 2.669 2.643 1.00 0.20 C ATOM 1358 C LEU A 83 -0.486 3.354 1.736 1.00 0.20 C ATOM 1359 O LEU A 83 -1.469 2.759 1.346 1.00 0.25 O ATOM 1360 CB LEU A 83 0.222 3.010 4.107 1.00 0.20 C ATOM 1361 CG LEU A 83 1.005 2.072 5.050 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.167 2.739 6.419 1.00 0.24 C ATOM 1363 CD2 LEU A 83 0.250 0.746 5.235 1.00 0.25 C ATOM 0 H LEU A 83 2.337 3.745 2.971 1.00 0.21 H new ATOM 0 HA LEU A 83 0.472 1.587 2.523 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.491 4.047 4.309 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.847 2.916 4.295 1.00 0.20 H new ATOM 0 HG LEU A 83 1.982 1.874 4.609 1.00 0.22 H new ATOM 0 HD11 LEU A 83 1.720 2.076 7.084 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.713 3.676 6.305 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.184 2.941 6.844 1.00 0.24 H new ATOM 0 HD21 LEU A 83 0.815 0.096 5.903 1.00 0.25 H new ATOM 0 HD22 LEU A 83 -0.732 0.943 5.666 1.00 0.25 H new ATOM 0 HD23 LEU A 83 0.130 0.257 4.268 1.00 0.25 H new ATOM 1375 N THR A 84 -0.251 4.588 1.363 1.00 0.19 N ATOM 1376 CA THR A 84 -1.200 5.275 0.457 1.00 0.19 C ATOM 1377 C THR A 84 -1.277 4.491 -0.848 1.00 0.22 C ATOM 1378 O THR A 84 -2.339 4.245 -1.383 1.00 0.24 O ATOM 1379 CB THR A 84 -0.678 6.687 0.180 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.569 7.395 1.407 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.636 7.426 -0.754 1.00 0.18 C ATOM 0 H THR A 84 0.556 5.141 1.650 1.00 0.19 H new ATOM 0 HA THR A 84 -2.190 5.334 0.909 1.00 0.19 H new ATOM 0 HB THR A 84 0.300 6.622 -0.296 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.353 7.342 1.734 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.256 8.430 -0.945 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.717 6.883 -1.696 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.619 7.493 -0.288 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.145 4.101 -1.363 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.127 3.336 -2.635 1.00 0.27 C ATOM 1391 C ILE A 85 -0.660 1.928 -2.394 1.00 0.29 C ATOM 1392 O ILE A 85 -1.491 1.430 -3.128 1.00 0.31 O ATOM 1393 CB ILE A 85 1.314 3.247 -3.152 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.782 4.648 -3.574 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.383 2.270 -4.344 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.274 4.616 -3.913 1.00 0.61 C ATOM 0 H ILE A 85 0.772 4.281 -0.954 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.754 3.841 -3.370 1.00 0.27 H new ATOM 0 HB ILE A 85 1.969 2.874 -2.364 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.211 4.987 -4.438 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.598 5.361 -2.770 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.409 2.211 -4.707 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.054 1.281 -4.024 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.735 2.626 -5.145 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.601 5.612 -4.212 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.839 4.296 -3.038 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.446 3.917 -4.732 1.00 0.61 H new ATOM 1408 N GLY A 86 -0.175 1.279 -1.379 1.00 0.30 N ATOM 1409 CA GLY A 86 -0.636 -0.099 -1.096 1.00 0.33 C ATOM 1410 C GLY A 86 -2.134 -0.100 -0.798 1.00 0.33 C ATOM 1411 O GLY A 86 -2.846 -0.983 -1.216 1.00 0.39 O ATOM 0 H GLY A 86 0.523 1.646 -0.732 1.00 0.30 H new ATOM 0 HA2 GLY A 86 -0.427 -0.743 -1.950 1.00 0.33 H new ATOM 0 HA3 GLY A 86 -0.088 -0.507 -0.247 1.00 0.33 H new ATOM 1415 N CYS A 87 -2.629 0.868 -0.072 1.00 0.29 N ATOM 1416 CA CYS A 87 -4.081 0.871 0.246 1.00 0.30 C ATOM 1417 C CYS A 87 -4.899 1.354 -0.959 1.00 0.35 C ATOM 1418 O CYS A 87 -6.026 0.942 -1.151 1.00 0.42 O ATOM 1419 CB CYS A 87 -4.340 1.769 1.451 1.00 0.29 C ATOM 1420 SG CYS A 87 -4.035 3.480 0.994 1.00 1.29 S ATOM 0 H CYS A 87 -2.094 1.648 0.310 1.00 0.29 H new ATOM 0 HA CYS A 87 -4.390 -0.147 0.482 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -5.368 1.650 1.793 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -3.693 1.481 2.279 1.00 0.29 H new ATOM 0 HG CYS A 87 -2.791 3.777 1.229 1.00 1.29 H new ATOM 1426 N TYR A 88 -4.359 2.233 -1.765 1.00 0.33 N ATOM 1427 CA TYR A 88 -5.129 2.741 -2.935 1.00 0.40 C ATOM 1428 C TYR A 88 -5.487 1.591 -3.884 1.00 0.43 C ATOM 1429 O TYR A 88 -6.610 1.470 -4.334 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.279 3.775 -3.683 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.950 4.147 -4.987 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -6.042 5.022 -4.988 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -4.481 3.610 -6.193 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.665 5.362 -6.195 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.104 3.950 -7.399 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.195 4.826 -7.400 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.810 5.161 -8.590 1.00 0.66 O ATOM 0 H TYR A 88 -3.420 2.619 -1.662 1.00 0.33 H new ATOM 0 HA TYR A 88 -6.052 3.200 -2.581 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.146 4.664 -3.066 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.286 3.370 -3.878 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -6.404 5.435 -4.058 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.639 2.934 -6.192 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -7.508 6.037 -6.196 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -4.743 3.536 -8.329 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.360 4.704 -9.331 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.536 0.768 -4.215 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.805 -0.353 -5.163 1.00 0.51 C ATOM 1449 C LYS A 89 -5.570 -1.486 -4.471 1.00 0.36 C ATOM 1450 O LYS A 89 -6.150 -2.334 -5.119 1.00 0.37 O ATOM 1451 CB LYS A 89 -3.465 -0.890 -5.687 1.00 0.70 C ATOM 1452 CG LYS A 89 -3.685 -1.677 -6.992 1.00 1.00 C ATOM 1453 CD LYS A 89 -3.700 -0.715 -8.202 1.00 1.24 C ATOM 1454 CE LYS A 89 -4.589 -1.282 -9.315 1.00 1.56 C ATOM 1455 NZ LYS A 89 -4.154 -2.668 -9.641 1.00 2.05 N ATOM 0 H LYS A 89 -3.578 0.821 -3.870 1.00 0.43 H new ATOM 0 HA LYS A 89 -5.416 0.020 -5.985 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.777 -0.063 -5.863 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -3.004 -1.534 -4.938 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -2.894 -2.417 -7.116 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -4.627 -2.223 -6.941 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -4.069 0.263 -7.894 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -2.686 -0.570 -8.574 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -5.632 -1.282 -8.998 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -4.526 -0.652 -10.202 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -4.559 -2.953 -10.555 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -3.116 -2.702 -9.696 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -4.483 -3.319 -8.899 1.00 2.05 H new ATOM 1469 N LEU A 90 -5.541 -1.543 -3.171 1.00 0.32 N ATOM 1470 CA LEU A 90 -6.229 -2.656 -2.463 1.00 0.47 C ATOM 1471 C LEU A 90 -7.739 -2.421 -2.305 1.00 0.56 C ATOM 1472 O LEU A 90 -8.445 -3.367 -2.020 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.612 -2.815 -1.067 1.00 0.55 C ATOM 1474 CG LEU A 90 -4.254 -3.525 -1.165 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.555 -3.449 0.195 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -4.440 -4.998 -1.584 1.00 0.56 C ATOM 0 H LEU A 90 -5.071 -0.868 -2.568 1.00 0.32 H new ATOM 0 HA LEU A 90 -6.096 -3.554 -3.067 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.486 -1.837 -0.603 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.284 -3.387 -0.427 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.644 -3.032 -1.922 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.589 -3.951 0.136 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.405 -2.405 0.469 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -4.172 -3.937 0.949 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -3.466 -5.484 -1.648 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -5.054 -5.512 -0.844 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.931 -5.041 -2.556 1.00 0.56 H new ATOM 1488 N GLY A 91 -8.257 -1.197 -2.407 1.00 0.56 N ATOM 1489 CA GLY A 91 -9.743 -1.016 -2.160 1.00 0.91 C ATOM 1490 C GLY A 91 -9.972 -0.146 -0.924 1.00 0.69 C ATOM 1491 O GLY A 91 -11.042 0.398 -0.737 1.00 0.69 O ATOM 0 H GLY A 91 -7.738 -0.351 -2.641 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -10.210 -0.554 -3.030 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -10.217 -1.988 -2.022 1.00 0.91 H new ATOM 1495 N GLU A 92 -8.987 0.010 -0.081 1.00 0.54 N ATOM 1496 CA GLU A 92 -9.167 0.868 1.134 1.00 0.42 C ATOM 1497 C GLU A 92 -8.750 2.313 0.794 1.00 0.34 C ATOM 1498 O GLU A 92 -7.807 2.852 1.341 1.00 0.39 O ATOM 1499 CB GLU A 92 -8.311 0.301 2.293 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.204 -0.600 1.732 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.201 -0.928 2.838 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -5.725 -0.001 3.472 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -5.926 -2.101 3.032 1.00 2.06 O ATOM 0 H GLU A 92 -8.066 -0.417 -0.178 1.00 0.54 H new ATOM 0 HA GLU A 92 -10.211 0.870 1.447 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -7.872 1.118 2.866 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -8.941 -0.266 2.978 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -7.635 -1.519 1.334 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.699 -0.101 0.905 1.00 0.55 H new ATOM 1510 N TYR A 93 -9.441 2.939 -0.131 1.00 0.33 N ATOM 1511 CA TYR A 93 -9.057 4.333 -0.502 1.00 0.31 C ATOM 1512 C TYR A 93 -9.360 5.272 0.670 1.00 0.25 C ATOM 1513 O TYR A 93 -8.773 6.330 0.782 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.777 4.830 -1.769 1.00 0.41 C ATOM 1515 CG TYR A 93 -10.085 3.686 -2.696 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -9.161 3.313 -3.677 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -11.307 3.017 -2.590 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -9.461 2.267 -4.554 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.607 1.968 -3.464 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.684 1.593 -4.447 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.981 0.563 -5.315 1.00 1.19 O ATOM 0 H TYR A 93 -10.239 2.551 -0.635 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.990 4.331 -0.723 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.701 5.337 -1.492 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.154 5.562 -2.283 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.217 3.832 -3.757 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -12.020 3.310 -1.833 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.750 1.979 -5.314 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -12.550 1.448 -3.381 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.867 0.202 -5.104 1.00 1.19 H new ATOM 1531 N SER A 94 -10.240 4.897 1.563 1.00 0.24 N ATOM 1532 CA SER A 94 -10.526 5.777 2.725 1.00 0.28 C ATOM 1533 C SER A 94 -9.278 5.876 3.559 1.00 0.29 C ATOM 1534 O SER A 94 -9.011 6.877 4.194 1.00 0.39 O ATOM 1535 CB SER A 94 -11.670 5.183 3.547 1.00 0.30 C ATOM 1536 OG SER A 94 -11.796 5.898 4.767 1.00 1.12 O ATOM 0 H SER A 94 -10.767 4.024 1.535 1.00 0.24 H new ATOM 0 HA SER A 94 -10.823 6.770 2.389 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.602 5.235 2.984 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.478 4.129 3.749 1.00 0.30 H new ATOM 0 HG SER A 94 -12.530 5.519 5.294 1.00 1.12 H new ATOM 1542 N MET A 95 -8.498 4.853 3.545 1.00 0.27 N ATOM 1543 CA MET A 95 -7.250 4.886 4.313 1.00 0.36 C ATOM 1544 C MET A 95 -6.220 5.712 3.553 1.00 0.26 C ATOM 1545 O MET A 95 -5.517 6.524 4.122 1.00 0.26 O ATOM 1546 CB MET A 95 -6.725 3.470 4.486 1.00 0.48 C ATOM 1547 CG MET A 95 -5.389 3.526 5.238 1.00 0.81 C ATOM 1548 SD MET A 95 -5.296 2.175 6.443 1.00 1.25 S ATOM 1549 CE MET A 95 -6.688 2.689 7.487 1.00 0.83 C ATOM 0 H MET A 95 -8.673 3.990 3.031 1.00 0.27 H new ATOM 0 HA MET A 95 -7.433 5.329 5.292 1.00 0.36 H new ATOM 0 HB2 MET A 95 -7.444 2.866 5.039 1.00 0.48 H new ATOM 0 HB3 MET A 95 -6.591 2.996 3.514 1.00 0.48 H new ATOM 0 HG2 MET A 95 -4.562 3.452 4.532 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.289 4.485 5.746 1.00 0.81 H new ATOM 0 HE1 MET A 95 -6.494 2.401 8.520 1.00 0.83 H new ATOM 0 HE2 MET A 95 -6.807 3.771 7.429 1.00 0.83 H new ATOM 0 HE3 MET A 95 -7.601 2.205 7.140 1.00 0.83 H new ATOM 1559 N ALA A 96 -6.134 5.524 2.265 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.160 6.308 1.470 1.00 0.20 C ATOM 1561 C ALA A 96 -5.447 7.804 1.688 1.00 0.18 C ATOM 1562 O ALA A 96 -4.555 8.593 1.932 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.303 5.919 -0.019 1.00 0.23 C ATOM 0 H ALA A 96 -6.698 4.861 1.733 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.137 6.099 1.782 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.591 6.490 -0.614 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -5.104 4.854 -0.138 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.316 6.138 -0.357 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.692 8.192 1.584 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.066 9.626 1.764 1.00 0.21 C ATOM 1571 C LYS A 97 -6.615 10.155 3.128 1.00 0.21 C ATOM 1572 O LYS A 97 -5.961 11.173 3.204 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.585 9.776 1.651 1.00 0.29 C ATOM 1574 CG LYS A 97 -8.964 11.259 1.746 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.472 11.415 1.541 1.00 0.78 C ATOM 1576 CE LYS A 97 -10.879 12.861 1.829 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.360 12.988 1.735 1.00 2.10 N ATOM 0 H LYS A 97 -7.473 7.569 1.380 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.566 10.203 0.986 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.932 9.361 0.705 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.076 9.213 2.445 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.675 11.657 2.719 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.423 11.832 0.993 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -10.740 11.147 0.519 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.012 10.736 2.201 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -10.540 13.154 2.823 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.400 13.534 1.118 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -12.637 13.971 1.931 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.671 12.725 0.778 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -12.807 12.357 2.430 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.971 9.521 4.213 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.564 10.051 5.537 1.00 0.25 C ATOM 1593 C ARG A 98 -5.043 10.005 5.695 1.00 0.20 C ATOM 1594 O ARG A 98 -4.451 10.855 6.330 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.209 9.173 6.610 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.115 9.873 7.959 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.473 8.899 9.089 1.00 1.28 C ATOM 1598 NE ARG A 98 -7.058 9.493 10.392 1.00 1.90 N ATOM 1599 CZ ARG A 98 -7.495 8.991 11.516 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -8.296 7.961 11.506 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -7.127 9.520 12.652 1.00 3.20 N ATOM 0 H ARG A 98 -7.523 8.664 4.236 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.885 11.088 5.632 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -8.252 8.981 6.360 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -6.708 8.206 6.654 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -6.106 10.258 8.107 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.789 10.729 7.980 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.545 8.701 9.090 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.973 7.943 8.935 1.00 1.28 H new ATOM 0 HE ARG A 98 -6.429 10.296 10.406 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.582 7.546 10.619 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -8.636 7.571 12.385 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -6.499 10.324 12.661 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -7.467 9.129 13.531 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.407 9.008 5.154 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.929 8.896 5.312 1.00 0.22 C ATOM 1617 C TYR A 99 -2.236 9.927 4.411 1.00 0.19 C ATOM 1618 O TYR A 99 -1.353 10.647 4.835 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.496 7.473 4.931 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.891 6.457 6.008 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -3.874 6.740 6.989 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.261 5.203 6.017 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -4.205 5.777 7.949 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.601 4.246 6.983 1.00 1.34 C ATOM 1625 CZ TYR A 99 -3.572 4.534 7.946 1.00 0.40 C ATOM 1626 OH TYR A 99 -3.904 3.591 8.896 1.00 0.47 O ATOM 0 H TYR A 99 -4.844 8.265 4.609 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.646 9.093 6.346 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.954 7.195 3.982 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.416 7.447 4.784 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -4.368 7.700 6.996 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -1.510 4.974 5.275 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -4.954 5.997 8.695 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.111 3.283 6.983 1.00 1.34 H new ATOM 0 HH TYR A 99 -4.279 2.800 8.455 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.624 9.994 3.169 1.00 0.18 N ATOM 1637 CA VAL A 100 -1.983 10.969 2.240 1.00 0.19 C ATOM 1638 C VAL A 100 -2.320 12.395 2.689 1.00 0.21 C ATOM 1639 O VAL A 100 -1.517 13.300 2.572 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.465 10.724 0.797 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -3.848 11.349 0.575 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -1.467 11.348 -0.184 1.00 0.20 C ATOM 0 H VAL A 100 -3.357 9.417 2.756 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.901 10.837 2.263 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.534 9.649 0.630 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.170 11.165 -0.450 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.564 10.904 1.266 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -3.794 12.423 0.751 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -1.805 11.176 -1.206 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -1.398 12.420 -0.000 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -0.487 10.892 -0.045 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.499 12.601 3.210 1.00 0.23 N ATOM 1653 CA ASP A 101 -3.875 13.964 3.674 1.00 0.27 C ATOM 1654 C ASP A 101 -2.913 14.388 4.785 1.00 0.26 C ATOM 1655 O ASP A 101 -2.369 15.474 4.771 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.308 13.944 4.213 1.00 0.30 C ATOM 1657 CG ASP A 101 -5.713 15.355 4.648 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.414 15.715 5.774 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -6.317 16.050 3.847 1.00 1.79 O ATOM 0 H ASP A 101 -4.215 11.886 3.334 1.00 0.23 H new ATOM 0 HA ASP A 101 -3.816 14.669 2.845 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.991 13.579 3.446 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.380 13.258 5.057 1.00 0.30 H new ATOM 1664 N THR A 102 -2.706 13.534 5.750 1.00 0.25 N ATOM 1665 CA THR A 102 -1.787 13.868 6.873 1.00 0.26 C ATOM 1666 C THR A 102 -0.389 14.192 6.334 1.00 0.26 C ATOM 1667 O THR A 102 0.193 15.205 6.668 1.00 0.27 O ATOM 1668 CB THR A 102 -1.709 12.659 7.817 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.930 12.543 8.531 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.554 12.831 8.808 1.00 0.29 C ATOM 0 H THR A 102 -3.138 12.612 5.808 1.00 0.25 H new ATOM 0 HA THR A 102 -2.164 14.740 7.408 1.00 0.26 H new ATOM 0 HB THR A 102 -1.536 11.759 7.227 1.00 0.27 H new ATOM 0 HG1 THR A 102 -3.578 12.044 7.992 1.00 0.32 H new ATOM 0 HG21 THR A 102 -0.511 11.967 9.471 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.385 12.916 8.261 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.713 13.733 9.399 1.00 0.29 H new ATOM 1678 N LEU A 103 0.162 13.337 5.517 1.00 0.25 N ATOM 1679 CA LEU A 103 1.526 13.601 4.983 1.00 0.27 C ATOM 1680 C LEU A 103 1.504 14.839 4.085 1.00 0.29 C ATOM 1681 O LEU A 103 2.379 15.678 4.164 1.00 0.31 O ATOM 1682 CB LEU A 103 2.012 12.384 4.183 1.00 0.29 C ATOM 1683 CG LEU A 103 3.539 12.460 3.969 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.278 11.892 5.188 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.927 11.636 2.735 1.00 0.41 C ATOM 0 H LEU A 103 -0.272 12.471 5.198 1.00 0.25 H new ATOM 0 HA LEU A 103 2.208 13.779 5.815 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.757 11.466 4.713 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.504 12.347 3.219 1.00 0.29 H new ATOM 0 HG LEU A 103 3.817 13.505 3.829 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.354 11.952 5.022 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.015 12.469 6.075 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.991 10.851 5.334 1.00 0.36 H new ATOM 0 HD21 LEU A 103 5.005 11.691 2.585 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.634 10.597 2.884 1.00 0.41 H new ATOM 0 HD23 LEU A 103 3.418 12.034 1.857 1.00 0.41 H new ATOM 1697 N PHE A 104 0.528 14.967 3.225 1.00 0.29 N ATOM 1698 CA PHE A 104 0.486 16.157 2.332 1.00 0.32 C ATOM 1699 C PHE A 104 0.368 17.429 3.176 1.00 0.37 C ATOM 1700 O PHE A 104 0.861 18.476 2.805 1.00 0.41 O ATOM 1701 CB PHE A 104 -0.721 16.041 1.392 1.00 0.33 C ATOM 1702 CG PHE A 104 -0.921 17.341 0.643 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -0.030 17.705 -0.373 1.00 1.17 C ATOM 1704 CD2 PHE A 104 -1.996 18.179 0.965 1.00 1.23 C ATOM 1705 CE1 PHE A 104 -0.213 18.908 -1.066 1.00 1.19 C ATOM 1706 CE2 PHE A 104 -2.179 19.381 0.272 1.00 1.29 C ATOM 1707 CZ PHE A 104 -1.288 19.746 -0.744 1.00 0.60 C ATOM 0 H PHE A 104 -0.236 14.302 3.104 1.00 0.29 H new ATOM 0 HA PHE A 104 1.401 16.206 1.742 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -0.565 15.225 0.686 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -1.617 15.800 1.965 1.00 0.33 H new ATOM 0 HD1 PHE A 104 0.798 17.058 -0.622 1.00 1.17 H new ATOM 0 HD2 PHE A 104 -2.684 17.897 1.748 1.00 1.23 H new ATOM 0 HE1 PHE A 104 0.475 19.190 -1.849 1.00 1.19 H new ATOM 0 HE2 PHE A 104 -3.008 20.027 0.521 1.00 1.29 H new ATOM 0 HZ PHE A 104 -1.429 20.673 -1.279 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.279 17.353 4.306 1.00 0.42 N ATOM 1718 CA GLU A 105 -0.416 18.567 5.154 1.00 0.52 C ATOM 1719 C GLU A 105 0.978 19.030 5.579 1.00 0.56 C ATOM 1720 O GLU A 105 1.287 20.206 5.550 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.260 18.222 6.390 1.00 0.58 C ATOM 1722 CG GLU A 105 -1.578 19.491 7.190 1.00 1.20 C ATOM 1723 CD GLU A 105 -0.384 19.865 8.073 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -0.005 19.050 8.898 1.00 2.47 O ATOM 1725 OE2 GLU A 105 0.129 20.959 7.909 1.00 2.31 O ATOM 0 H GLU A 105 -0.715 16.509 4.676 1.00 0.42 H new ATOM 0 HA GLU A 105 -0.908 19.366 4.599 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.186 17.737 6.082 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.722 17.513 7.019 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.809 20.311 6.510 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.462 19.330 7.808 1.00 1.20 H new ATOM 1732 N HIS A 106 1.814 18.112 5.994 1.00 0.57 N ATOM 1733 CA HIS A 106 3.189 18.491 6.447 1.00 0.65 C ATOM 1734 C HIS A 106 3.787 19.541 5.497 1.00 1.07 C ATOM 1735 O HIS A 106 3.584 20.728 5.665 1.00 1.90 O ATOM 1736 CB HIS A 106 4.084 17.249 6.470 1.00 0.88 C ATOM 1737 CG HIS A 106 5.453 17.629 6.971 1.00 1.61 C ATOM 1738 ND1 HIS A 106 5.643 18.611 7.932 1.00 2.41 N ATOM 1739 CD2 HIS A 106 6.707 17.166 6.656 1.00 2.42 C ATOM 1740 CE1 HIS A 106 6.966 18.705 8.159 1.00 3.18 C ATOM 1741 NE2 HIS A 106 7.660 17.847 7.408 1.00 3.21 N ATOM 0 H HIS A 106 1.604 17.115 6.039 1.00 0.57 H new ATOM 0 HA HIS A 106 3.128 18.913 7.450 1.00 0.65 H new ATOM 0 HB2 HIS A 106 3.648 16.485 7.114 1.00 0.88 H new ATOM 0 HB3 HIS A 106 4.156 16.821 5.470 1.00 0.88 H new ATOM 0 HD2 HIS A 106 6.921 16.391 5.935 1.00 2.42 H new ATOM 0 HE1 HIS A 106 7.412 19.391 8.863 1.00 3.18 H new ATOM 0 HE2 HIS A 106 8.672 17.718 7.389 1.00 3.21 H new ATOM 1749 N GLU A 107 4.521 19.105 4.495 1.00 1.47 N ATOM 1750 CA GLU A 107 5.140 20.055 3.514 1.00 2.05 C ATOM 1751 C GLU A 107 4.639 19.719 2.105 1.00 1.90 C ATOM 1752 O GLU A 107 4.344 18.581 1.797 1.00 2.18 O ATOM 1753 CB GLU A 107 6.662 19.898 3.559 1.00 2.77 C ATOM 1754 CG GLU A 107 7.321 21.044 2.790 1.00 3.57 C ATOM 1755 CD GLU A 107 7.152 22.348 3.572 1.00 4.22 C ATOM 1756 OE1 GLU A 107 7.863 22.527 4.547 1.00 4.64 O ATOM 1757 OE2 GLU A 107 6.314 23.144 3.183 1.00 4.69 O ATOM 0 H GLU A 107 4.718 18.121 4.315 1.00 1.47 H new ATOM 0 HA GLU A 107 4.867 21.080 3.767 1.00 2.05 H new ATOM 0 HB2 GLU A 107 7.007 19.896 4.593 1.00 2.77 H new ATOM 0 HB3 GLU A 107 6.952 18.941 3.124 1.00 2.77 H new ATOM 0 HG2 GLU A 107 8.380 20.833 2.639 1.00 3.57 H new ATOM 0 HG3 GLU A 107 6.871 21.139 1.802 1.00 3.57 H new ATOM 1764 N ARG A 108 4.541 20.698 1.246 1.00 2.18 N ATOM 1765 CA ARG A 108 4.059 20.433 -0.141 1.00 2.54 C ATOM 1766 C ARG A 108 5.214 19.894 -0.991 1.00 2.14 C ATOM 1767 O ARG A 108 5.880 18.949 -0.619 1.00 2.49 O ATOM 1768 CB ARG A 108 3.537 21.737 -0.750 1.00 3.58 C ATOM 1769 CG ARG A 108 2.424 22.304 0.142 1.00 4.39 C ATOM 1770 CD ARG A 108 1.724 23.487 -0.558 1.00 5.40 C ATOM 1771 NE ARG A 108 1.354 24.534 0.451 1.00 5.98 N ATOM 1772 CZ ARG A 108 0.755 24.221 1.572 1.00 6.94 C ATOM 1773 NH1 ARG A 108 0.348 23.003 1.792 1.00 7.44 N ATOM 1774 NH2 ARG A 108 0.521 25.148 2.460 1.00 7.59 N ATOM 0 H ARG A 108 4.774 21.671 1.445 1.00 2.18 H new ATOM 0 HA ARG A 108 3.257 19.695 -0.116 1.00 2.54 H new ATOM 0 HB2 ARG A 108 4.348 22.459 -0.842 1.00 3.58 H new ATOM 0 HB3 ARG A 108 3.156 21.556 -1.755 1.00 3.58 H new ATOM 0 HG2 ARG A 108 1.696 21.524 0.367 1.00 4.39 H new ATOM 0 HG3 ARG A 108 2.843 22.632 1.093 1.00 4.39 H new ATOM 0 HD2 ARG A 108 2.383 23.915 -1.313 1.00 5.40 H new ATOM 0 HD3 ARG A 108 0.831 23.137 -1.076 1.00 5.40 H new ATOM 0 HE ARG A 108 1.574 25.511 0.259 1.00 5.98 H new ATOM 0 HH11 ARG A 108 0.495 22.281 1.087 1.00 7.44 H new ATOM 0 HH12 ARG A 108 -0.118 22.772 2.670 1.00 7.44 H new ATOM 0 HH21 ARG A 108 0.805 26.111 2.279 1.00 7.59 H new ATOM 0 HH22 ARG A 108 0.055 24.910 3.335 1.00 7.59 H new ATOM 1788 N ASN A 109 5.457 20.487 -2.129 1.00 2.11 N ATOM 1789 CA ASN A 109 6.571 20.006 -2.998 1.00 2.18 C ATOM 1790 C ASN A 109 6.367 18.523 -3.326 1.00 1.51 C ATOM 1791 O ASN A 109 5.295 17.980 -3.147 1.00 2.14 O ATOM 1792 CB ASN A 109 7.901 20.192 -2.261 1.00 2.98 C ATOM 1793 CG ASN A 109 9.061 20.083 -3.254 1.00 3.48 C ATOM 1794 OD1 ASN A 109 8.871 20.215 -4.446 1.00 3.96 O ATOM 1795 ND2 ASN A 109 10.265 19.845 -2.807 1.00 3.98 N ATOM 0 H ASN A 109 4.933 21.282 -2.494 1.00 2.11 H new ATOM 0 HA ASN A 109 6.583 20.578 -3.926 1.00 2.18 H new ATOM 0 HB2 ASN A 109 7.922 21.164 -1.768 1.00 2.98 H new ATOM 0 HB3 ASN A 109 8.005 19.437 -1.482 1.00 2.98 H new ATOM 0 HD21 ASN A 109 11.046 19.770 -3.459 1.00 3.98 H new ATOM 0 HD22 ASN A 109 10.425 19.734 -1.806 1.00 3.98 H new ATOM 1802 N ASN A 110 7.389 17.866 -3.807 1.00 1.10 N ATOM 1803 CA ASN A 110 7.260 16.420 -4.149 1.00 1.20 C ATOM 1804 C ASN A 110 6.082 16.212 -5.102 1.00 0.86 C ATOM 1805 O ASN A 110 5.040 15.718 -4.718 1.00 0.83 O ATOM 1806 CB ASN A 110 7.031 15.607 -2.873 1.00 2.17 C ATOM 1807 CG ASN A 110 8.153 15.896 -1.875 1.00 2.97 C ATOM 1808 OD1 ASN A 110 8.617 17.014 -1.772 1.00 3.39 O ATOM 1809 ND2 ASN A 110 8.614 14.928 -1.130 1.00 3.76 N ATOM 0 H ASN A 110 8.310 18.270 -3.978 1.00 1.10 H new ATOM 0 HA ASN A 110 8.178 16.087 -4.634 1.00 1.20 H new ATOM 0 HB2 ASN A 110 6.066 15.862 -2.435 1.00 2.17 H new ATOM 0 HB3 ASN A 110 7.004 14.543 -3.107 1.00 2.17 H new ATOM 0 HD21 ASN A 110 9.363 15.111 -0.462 1.00 3.76 H new ATOM 0 HD22 ASN A 110 8.225 13.989 -1.216 1.00 3.76 H new ATOM 1816 N LYS A 111 6.232 16.595 -6.340 1.00 0.77 N ATOM 1817 CA LYS A 111 5.111 16.424 -7.315 1.00 0.66 C ATOM 1818 C LYS A 111 4.542 14.987 -7.279 1.00 0.57 C ATOM 1819 O LYS A 111 3.482 14.735 -7.814 1.00 0.57 O ATOM 1820 CB LYS A 111 5.615 16.721 -8.732 1.00 0.94 C ATOM 1821 CG LYS A 111 6.268 18.106 -8.772 1.00 1.52 C ATOM 1822 CD LYS A 111 6.435 18.549 -10.227 1.00 1.85 C ATOM 1823 CE LYS A 111 7.336 19.784 -10.283 1.00 2.32 C ATOM 1824 NZ LYS A 111 6.885 20.775 -9.265 1.00 3.06 N ATOM 0 H LYS A 111 7.079 17.018 -6.721 1.00 0.77 H new ATOM 0 HA LYS A 111 4.318 17.118 -7.037 1.00 0.66 H new ATOM 0 HB2 LYS A 111 6.334 15.961 -9.039 1.00 0.94 H new ATOM 0 HB3 LYS A 111 4.786 16.679 -9.439 1.00 0.94 H new ATOM 0 HG2 LYS A 111 5.654 18.825 -8.230 1.00 1.52 H new ATOM 0 HG3 LYS A 111 7.238 18.077 -8.276 1.00 1.52 H new ATOM 0 HD2 LYS A 111 6.869 17.742 -10.817 1.00 1.85 H new ATOM 0 HD3 LYS A 111 5.462 18.775 -10.664 1.00 1.85 H new ATOM 0 HE2 LYS A 111 8.372 19.500 -10.096 1.00 2.32 H new ATOM 0 HE3 LYS A 111 7.302 20.228 -11.278 1.00 2.32 H new ATOM 0 HZ1 LYS A 111 7.235 21.720 -9.522 1.00 3.06 H new ATOM 0 HZ2 LYS A 111 5.846 20.788 -9.230 1.00 3.06 H new ATOM 0 HZ3 LYS A 111 7.259 20.509 -8.332 1.00 3.06 H new ATOM 1838 N GLN A 112 5.216 14.039 -6.665 1.00 0.54 N ATOM 1839 CA GLN A 112 4.678 12.651 -6.627 1.00 0.49 C ATOM 1840 C GLN A 112 3.551 12.581 -5.598 1.00 0.39 C ATOM 1841 O GLN A 112 2.628 11.800 -5.719 1.00 0.37 O ATOM 1842 CB GLN A 112 5.801 11.688 -6.227 1.00 0.54 C ATOM 1843 CG GLN A 112 6.906 11.725 -7.287 1.00 1.05 C ATOM 1844 CD GLN A 112 8.011 10.734 -6.911 1.00 1.82 C ATOM 1845 OE1 GLN A 112 8.805 10.346 -7.746 1.00 2.54 O ATOM 1846 NE2 GLN A 112 8.098 10.307 -5.681 1.00 2.56 N ATOM 0 H GLN A 112 6.110 14.172 -6.193 1.00 0.54 H new ATOM 0 HA GLN A 112 4.293 12.373 -7.608 1.00 0.49 H new ATOM 0 HB2 GLN A 112 6.206 11.968 -5.254 1.00 0.54 H new ATOM 0 HB3 GLN A 112 5.409 10.676 -6.130 1.00 0.54 H new ATOM 0 HG2 GLN A 112 6.495 11.473 -8.265 1.00 1.05 H new ATOM 0 HG3 GLN A 112 7.317 12.732 -7.364 1.00 1.05 H new ATOM 0 HE21 GLN A 112 7.432 10.632 -4.980 1.00 2.56 H new ATOM 0 HE22 GLN A 112 8.832 9.648 -5.421 1.00 2.56 H new ATOM 1855 N VAL A 113 3.623 13.397 -4.587 1.00 0.37 N ATOM 1856 CA VAL A 113 2.563 13.395 -3.541 1.00 0.32 C ATOM 1857 C VAL A 113 1.321 14.076 -4.108 1.00 0.32 C ATOM 1858 O VAL A 113 0.219 13.571 -4.013 1.00 0.30 O ATOM 1859 CB VAL A 113 3.057 14.165 -2.312 1.00 0.35 C ATOM 1860 CG1 VAL A 113 1.951 14.211 -1.256 1.00 0.41 C ATOM 1861 CG2 VAL A 113 4.285 13.462 -1.728 1.00 0.40 C ATOM 0 H VAL A 113 4.375 14.070 -4.438 1.00 0.37 H new ATOM 0 HA VAL A 113 2.326 12.372 -3.248 1.00 0.32 H new ATOM 0 HB VAL A 113 3.322 15.181 -2.606 1.00 0.35 H new ATOM 0 HG11 VAL A 113 2.304 14.759 -0.383 1.00 0.41 H new ATOM 0 HG12 VAL A 113 1.075 14.711 -1.668 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.685 13.195 -0.964 1.00 0.41 H new ATOM 0 HG21 VAL A 113 4.636 14.010 -0.854 1.00 0.40 H new ATOM 0 HG22 VAL A 113 4.018 12.446 -1.437 1.00 0.40 H new ATOM 0 HG23 VAL A 113 5.076 13.429 -2.477 1.00 0.40 H new ATOM 1871 N GLY A 114 1.498 15.219 -4.708 1.00 0.37 N ATOM 1872 CA GLY A 114 0.333 15.937 -5.297 1.00 0.40 C ATOM 1873 C GLY A 114 -0.290 15.054 -6.377 1.00 0.38 C ATOM 1874 O GLY A 114 -1.492 15.005 -6.544 1.00 0.38 O ATOM 0 H GLY A 114 2.398 15.687 -4.816 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -0.401 16.164 -4.524 1.00 0.40 H new ATOM 0 HA3 GLY A 114 0.651 16.888 -5.723 1.00 0.40 H new ATOM 1878 N ALA A 115 0.527 14.349 -7.108 1.00 0.38 N ATOM 1879 CA ALA A 115 0.000 13.457 -8.177 1.00 0.38 C ATOM 1880 C ALA A 115 -0.562 12.179 -7.544 1.00 0.33 C ATOM 1881 O ALA A 115 -1.654 11.746 -7.870 1.00 0.34 O ATOM 1882 CB ALA A 115 1.129 13.115 -9.152 1.00 0.43 C ATOM 0 H ALA A 115 1.542 14.353 -7.010 1.00 0.38 H new ATOM 0 HA ALA A 115 -0.799 13.961 -8.721 1.00 0.38 H new ATOM 0 HB1 ALA A 115 0.747 12.462 -9.936 1.00 0.43 H new ATOM 0 HB2 ALA A 115 1.514 14.032 -9.599 1.00 0.43 H new ATOM 0 HB3 ALA A 115 1.931 12.608 -8.616 1.00 0.43 H new ATOM 1888 N LEU A 116 0.146 11.574 -6.639 1.00 0.31 N ATOM 1889 CA LEU A 116 -0.399 10.343 -6.009 1.00 0.29 C ATOM 1890 C LEU A 116 -1.734 10.691 -5.349 1.00 0.26 C ATOM 1891 O LEU A 116 -2.720 9.998 -5.510 1.00 0.25 O ATOM 1892 CB LEU A 116 0.589 9.827 -4.954 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.037 8.688 -4.134 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.497 7.561 -5.065 1.00 0.49 C ATOM 1895 CD2 LEU A 116 1.010 8.145 -3.158 1.00 0.68 C ATOM 0 H LEU A 116 1.065 11.871 -6.311 1.00 0.31 H new ATOM 0 HA LEU A 116 -0.547 9.566 -6.759 1.00 0.29 H new ATOM 0 HB2 LEU A 116 1.498 9.474 -5.442 1.00 0.32 H new ATOM 0 HB3 LEU A 116 0.879 10.642 -4.291 1.00 0.32 H new ATOM 0 HG LEU A 116 -0.899 9.068 -3.585 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -0.939 6.759 -4.474 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.238 7.947 -5.765 1.00 0.49 H new ATOM 0 HD13 LEU A 116 0.359 7.175 -5.619 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.575 7.336 -2.571 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.867 7.768 -3.716 1.00 0.68 H new ATOM 0 HD23 LEU A 116 1.334 8.944 -2.491 1.00 0.68 H new ATOM 1907 N LYS A 117 -1.770 11.756 -4.593 1.00 0.27 N ATOM 1908 CA LYS A 117 -3.036 12.138 -3.910 1.00 0.28 C ATOM 1909 C LYS A 117 -4.131 12.358 -4.957 1.00 0.28 C ATOM 1910 O LYS A 117 -5.303 12.167 -4.696 1.00 0.29 O ATOM 1911 CB LYS A 117 -2.815 13.428 -3.114 1.00 0.33 C ATOM 1912 CG LYS A 117 -4.083 13.778 -2.327 1.00 0.78 C ATOM 1913 CD LYS A 117 -3.760 14.835 -1.259 1.00 0.86 C ATOM 1914 CE LYS A 117 -3.414 16.173 -1.923 1.00 1.44 C ATOM 1915 NZ LYS A 117 -4.473 16.535 -2.909 1.00 2.16 N ATOM 0 H LYS A 117 -0.978 12.375 -4.420 1.00 0.27 H new ATOM 0 HA LYS A 117 -3.341 11.342 -3.230 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -1.975 13.305 -2.431 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -2.559 14.244 -3.790 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -4.849 14.155 -3.004 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -4.487 12.883 -1.855 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.613 14.962 -0.593 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -2.924 14.499 -0.646 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -3.326 16.953 -1.167 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -2.448 16.103 -2.422 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -4.580 17.569 -2.939 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -4.203 16.187 -3.851 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -5.375 16.101 -2.625 1.00 2.16 H new ATOM 1929 N SER A 118 -3.754 12.776 -6.137 1.00 0.29 N ATOM 1930 CA SER A 118 -4.761 13.030 -7.204 1.00 0.31 C ATOM 1931 C SER A 118 -5.489 11.738 -7.581 1.00 0.29 C ATOM 1932 O SER A 118 -6.654 11.765 -7.911 1.00 0.30 O ATOM 1933 CB SER A 118 -4.064 13.589 -8.443 1.00 0.34 C ATOM 1934 OG SER A 118 -5.040 14.124 -9.329 1.00 1.35 O ATOM 0 H SER A 118 -2.786 12.953 -6.407 1.00 0.29 H new ATOM 0 HA SER A 118 -5.488 13.749 -6.827 1.00 0.31 H new ATOM 0 HB2 SER A 118 -3.353 14.364 -8.156 1.00 0.34 H new ATOM 0 HB3 SER A 118 -3.496 12.803 -8.941 1.00 0.34 H new ATOM 0 HG SER A 118 -5.648 13.411 -9.615 1.00 1.35 H new ATOM 1940 N MET A 119 -4.842 10.601 -7.512 1.00 0.26 N ATOM 1941 CA MET A 119 -5.556 9.334 -7.853 1.00 0.25 C ATOM 1942 C MET A 119 -6.548 9.033 -6.725 1.00 0.23 C ATOM 1943 O MET A 119 -7.686 8.674 -6.951 1.00 0.24 O ATOM 1944 CB MET A 119 -4.537 8.193 -7.968 1.00 0.26 C ATOM 1945 CG MET A 119 -3.860 8.233 -9.342 1.00 0.61 C ATOM 1946 SD MET A 119 -2.991 9.814 -9.544 1.00 1.03 S ATOM 1947 CE MET A 119 -1.341 9.158 -9.908 1.00 0.69 C ATOM 0 H MET A 119 -3.865 10.496 -7.239 1.00 0.26 H new ATOM 0 HA MET A 119 -6.084 9.432 -8.802 1.00 0.25 H new ATOM 0 HB2 MET A 119 -3.788 8.283 -7.181 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.035 7.234 -7.826 1.00 0.26 H new ATOM 0 HG2 MET A 119 -3.157 7.405 -9.437 1.00 0.61 H new ATOM 0 HG3 MET A 119 -4.604 8.112 -10.129 1.00 0.61 H new ATOM 0 HE1 MET A 119 -0.648 9.984 -10.067 1.00 0.69 H new ATOM 0 HE2 MET A 119 -0.997 8.552 -9.070 1.00 0.69 H new ATOM 0 HE3 MET A 119 -1.384 8.543 -10.807 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.109 9.209 -5.512 1.00 0.21 N ATOM 1958 CA VAL A 120 -6.985 8.977 -4.328 1.00 0.20 C ATOM 1959 C VAL A 120 -8.180 9.934 -4.356 1.00 0.22 C ATOM 1960 O VAL A 120 -9.314 9.519 -4.228 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.173 9.245 -3.061 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.024 8.911 -1.837 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -4.923 8.363 -3.063 1.00 0.23 C ATOM 0 H VAL A 120 -5.161 9.510 -5.285 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.349 7.950 -4.346 1.00 0.20 H new ATOM 0 HB VAL A 120 -5.880 10.294 -3.030 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.448 9.101 -0.931 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -7.919 9.533 -1.835 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.313 7.860 -1.870 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.342 8.553 -2.160 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.218 7.314 -3.091 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.317 8.593 -3.939 1.00 0.23 H new ATOM 1973 N GLU A 121 -7.945 11.205 -4.506 1.00 0.25 N ATOM 1974 CA GLU A 121 -9.082 12.169 -4.522 1.00 0.29 C ATOM 1975 C GLU A 121 -9.907 11.991 -5.797 1.00 0.28 C ATOM 1976 O GLU A 121 -11.114 12.128 -5.788 1.00 0.31 O ATOM 1977 CB GLU A 121 -8.539 13.597 -4.463 1.00 0.35 C ATOM 1978 CG GLU A 121 -7.929 13.857 -3.085 1.00 1.07 C ATOM 1979 CD GLU A 121 -9.046 14.053 -2.058 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.510 13.061 -1.520 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -9.420 15.192 -1.829 1.00 2.27 O ATOM 0 H GLU A 121 -7.020 11.619 -4.618 1.00 0.25 H new ATOM 0 HA GLU A 121 -9.719 11.981 -3.658 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -7.787 13.743 -5.238 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -9.340 14.310 -4.658 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -7.295 13.020 -2.793 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -7.293 14.741 -3.119 1.00 1.07 H new ATOM 1988 N ASP A 122 -9.272 11.693 -6.895 1.00 0.28 N ATOM 1989 CA ASP A 122 -10.034 11.516 -8.161 1.00 0.30 C ATOM 1990 C ASP A 122 -10.871 10.238 -8.090 1.00 0.28 C ATOM 1991 O ASP A 122 -12.024 10.223 -8.483 1.00 0.31 O ATOM 1992 CB ASP A 122 -9.068 11.419 -9.342 1.00 0.34 C ATOM 1993 CG ASP A 122 -8.386 12.770 -9.562 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -8.999 13.779 -9.255 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -7.259 12.772 -10.029 1.00 1.89 O ATOM 0 H ASP A 122 -8.263 11.565 -6.971 1.00 0.28 H new ATOM 0 HA ASP A 122 -10.691 12.375 -8.298 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -8.320 10.650 -9.150 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.607 11.122 -10.242 1.00 0.34 H new ATOM 2000 N LYS A 123 -10.318 9.163 -7.595 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.098 7.903 -7.517 1.00 0.27 C ATOM 2002 C LYS A 123 -12.158 8.013 -6.422 1.00 0.26 C ATOM 2003 O LYS A 123 -13.247 7.486 -6.553 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.141 6.747 -7.190 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.819 5.390 -7.460 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.639 4.987 -8.930 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.365 3.666 -9.189 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.358 3.374 -10.650 1.00 1.95 N ATOM 0 H LYS A 123 -9.362 9.107 -7.243 1.00 0.27 H new ATOM 0 HA LYS A 123 -11.593 7.720 -8.471 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -9.237 6.834 -7.793 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -9.835 6.805 -6.146 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.390 4.626 -6.811 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -11.881 5.452 -7.220 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -11.034 5.765 -9.583 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -9.579 4.884 -9.163 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -10.878 2.858 -8.643 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -12.390 3.724 -8.824 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -11.852 2.476 -10.827 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -11.841 4.141 -11.160 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -10.376 3.301 -10.985 1.00 1.95 H new ATOM 2022 N ILE A 124 -11.869 8.688 -5.334 1.00 0.27 N ATOM 2023 CA ILE A 124 -12.898 8.792 -4.263 1.00 0.29 C ATOM 2024 C ILE A 124 -13.954 9.797 -4.735 1.00 0.35 C ATOM 2025 O ILE A 124 -15.077 9.808 -4.281 1.00 0.43 O ATOM 2026 CB ILE A 124 -12.252 9.232 -2.938 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.447 8.063 -2.349 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -13.339 9.661 -1.946 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -10.669 8.529 -1.109 1.00 0.30 C ATOM 0 H ILE A 124 -10.984 9.160 -5.148 1.00 0.27 H new ATOM 0 HA ILE A 124 -13.366 7.825 -4.079 1.00 0.29 H new ATOM 0 HB ILE A 124 -11.587 10.075 -3.124 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.119 7.247 -2.081 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -10.756 7.674 -3.097 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -12.875 9.971 -1.010 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -13.905 10.493 -2.364 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.011 8.824 -1.758 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.102 7.693 -0.700 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -9.984 9.329 -1.389 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.368 8.896 -0.357 1.00 0.30 H new ATOM 2041 N GLN A 125 -13.585 10.652 -5.648 1.00 0.35 N ATOM 2042 CA GLN A 125 -14.567 11.655 -6.147 1.00 0.40 C ATOM 2043 C GLN A 125 -15.675 10.912 -6.912 1.00 0.43 C ATOM 2044 O GLN A 125 -16.830 11.286 -6.866 1.00 0.54 O ATOM 2045 CB GLN A 125 -13.867 12.679 -7.064 1.00 0.53 C ATOM 2046 CG GLN A 125 -13.419 13.897 -6.253 1.00 1.22 C ATOM 2047 CD GLN A 125 -14.629 14.783 -5.955 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -15.399 15.099 -6.841 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -14.832 15.200 -4.736 1.00 2.64 N ATOM 0 H GLN A 125 -12.656 10.700 -6.067 1.00 0.35 H new ATOM 0 HA GLN A 125 -15.001 12.200 -5.309 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -13.005 12.217 -7.546 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -14.546 12.991 -7.857 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -12.952 13.576 -5.322 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -12.669 14.461 -6.808 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -14.186 14.935 -3.992 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.637 15.791 -4.526 1.00 2.64 H new ATOM 2058 N LYS A 126 -15.334 9.852 -7.601 1.00 0.65 N ATOM 2059 CA LYS A 126 -16.379 9.080 -8.352 1.00 1.01 C ATOM 2060 C LYS A 126 -17.294 8.369 -7.336 1.00 1.25 C ATOM 2061 O LYS A 126 -18.499 8.319 -7.487 1.00 1.67 O ATOM 2062 CB LYS A 126 -15.694 8.042 -9.265 1.00 1.37 C ATOM 2063 CG LYS A 126 -15.324 8.669 -10.621 1.00 1.43 C ATOM 2064 CD LYS A 126 -14.133 9.614 -10.448 1.00 1.89 C ATOM 2065 CE LYS A 126 -13.776 10.236 -11.799 1.00 1.98 C ATOM 2066 NZ LYS A 126 -12.652 11.199 -11.624 1.00 2.69 N ATOM 0 H LYS A 126 -14.385 9.487 -7.678 1.00 0.65 H new ATOM 0 HA LYS A 126 -16.973 9.754 -8.969 1.00 1.01 H new ATOM 0 HB2 LYS A 126 -14.797 7.659 -8.779 1.00 1.37 H new ATOM 0 HB3 LYS A 126 -16.359 7.193 -9.421 1.00 1.37 H new ATOM 0 HG2 LYS A 126 -15.078 7.886 -11.339 1.00 1.43 H new ATOM 0 HG3 LYS A 126 -16.177 9.214 -11.025 1.00 1.43 H new ATOM 0 HD2 LYS A 126 -14.377 10.396 -9.729 1.00 1.89 H new ATOM 0 HD3 LYS A 126 -13.278 9.069 -10.049 1.00 1.89 H new ATOM 0 HE2 LYS A 126 -13.494 9.456 -12.507 1.00 1.98 H new ATOM 0 HE3 LYS A 126 -14.644 10.746 -12.217 1.00 1.98 H new ATOM 0 HZ1 LYS A 126 -12.410 11.621 -12.543 1.00 2.69 H new ATOM 0 HZ2 LYS A 126 -12.937 11.949 -10.963 1.00 2.69 H new ATOM 0 HZ3 LYS A 126 -11.823 10.699 -11.244 1.00 2.69 H new ATOM 2080 N GLU A 127 -16.716 7.858 -6.282 1.00 1.12 N ATOM 2081 CA GLU A 127 -17.526 7.189 -5.213 1.00 1.55 C ATOM 2082 C GLU A 127 -18.730 8.065 -4.857 1.00 1.69 C ATOM 2083 O GLU A 127 -19.782 7.568 -4.512 1.00 2.06 O ATOM 2084 CB GLU A 127 -16.669 6.999 -3.960 1.00 1.61 C ATOM 2085 CG GLU A 127 -15.571 5.973 -4.249 1.00 1.66 C ATOM 2086 CD GLU A 127 -16.197 4.583 -4.396 1.00 2.28 C ATOM 2087 OE1 GLU A 127 -16.693 4.070 -3.407 1.00 3.00 O ATOM 2088 OE2 GLU A 127 -16.170 4.057 -5.497 1.00 2.61 O ATOM 0 H GLU A 127 -15.711 7.874 -6.111 1.00 1.12 H new ATOM 0 HA GLU A 127 -17.866 6.220 -5.579 1.00 1.55 H new ATOM 0 HB2 GLU A 127 -16.226 7.949 -3.661 1.00 1.61 H new ATOM 0 HB3 GLU A 127 -17.289 6.661 -3.129 1.00 1.61 H new ATOM 0 HG2 GLU A 127 -15.038 6.242 -5.161 1.00 1.66 H new ATOM 0 HG3 GLU A 127 -14.839 5.970 -3.441 1.00 1.66 H new ATOM 2095 N THR A 128 -18.596 9.360 -4.936 1.00 1.49 N ATOM 2096 CA THR A 128 -19.750 10.243 -4.597 1.00 1.74 C ATOM 2097 C THR A 128 -20.932 9.925 -5.521 1.00 2.38 C ATOM 2098 O THR A 128 -22.079 10.105 -5.162 1.00 2.92 O ATOM 2099 CB THR A 128 -19.342 11.707 -4.773 1.00 1.89 C ATOM 2100 OG1 THR A 128 -18.076 11.917 -4.163 1.00 2.46 O ATOM 2101 CG2 THR A 128 -20.384 12.613 -4.115 1.00 2.41 C ATOM 0 H THR A 128 -17.744 9.844 -5.219 1.00 1.49 H new ATOM 0 HA THR A 128 -20.045 10.070 -3.562 1.00 1.74 H new ATOM 0 HB THR A 128 -19.280 11.943 -5.835 1.00 1.89 H new ATOM 0 HG1 THR A 128 -17.368 11.794 -4.829 1.00 2.46 H new ATOM 0 HG21 THR A 128 -20.092 13.655 -4.241 1.00 2.41 H new ATOM 0 HG22 THR A 128 -21.355 12.449 -4.582 1.00 2.41 H new ATOM 0 HG23 THR A 128 -20.449 12.381 -3.052 1.00 2.41 H new ATOM 2109 N LEU A 129 -20.660 9.454 -6.708 1.00 2.91 N ATOM 2110 CA LEU A 129 -21.765 9.124 -7.656 1.00 3.76 C ATOM 2111 C LEU A 129 -22.360 7.756 -7.284 1.00 3.99 C ATOM 2112 O LEU A 129 -21.900 7.096 -6.373 1.00 4.43 O ATOM 2113 CB LEU A 129 -21.198 9.090 -9.091 1.00 4.48 C ATOM 2114 CG LEU A 129 -22.284 9.477 -10.121 1.00 5.08 C ATOM 2115 CD1 LEU A 129 -22.359 11.001 -10.264 1.00 5.76 C ATOM 2116 CD2 LEU A 129 -21.945 8.865 -11.486 1.00 5.70 C ATOM 0 H LEU A 129 -19.719 9.283 -7.063 1.00 2.91 H new ATOM 0 HA LEU A 129 -22.551 9.877 -7.598 1.00 3.76 H new ATOM 0 HB2 LEU A 129 -20.355 9.776 -9.170 1.00 4.48 H new ATOM 0 HB3 LEU A 129 -20.819 8.093 -9.313 1.00 4.48 H new ATOM 0 HG LEU A 129 -23.245 9.098 -9.773 1.00 5.08 H new ATOM 0 HD11 LEU A 129 -23.127 11.261 -10.992 1.00 5.76 H new ATOM 0 HD12 LEU A 129 -22.608 11.445 -9.300 1.00 5.76 H new ATOM 0 HD13 LEU A 129 -21.395 11.383 -10.602 1.00 5.76 H new ATOM 0 HD21 LEU A 129 -22.713 9.140 -12.209 1.00 5.70 H new ATOM 0 HD22 LEU A 129 -20.978 9.240 -11.823 1.00 5.70 H new ATOM 0 HD23 LEU A 129 -21.902 7.779 -11.398 1.00 5.70 H new ATOM 2128 N LYS A 130 -23.378 7.327 -7.982 1.00 4.26 N ATOM 2129 CA LYS A 130 -24.000 6.009 -7.674 1.00 5.01 C ATOM 2130 C LYS A 130 -22.928 4.918 -7.695 1.00 5.21 C ATOM 2131 O LYS A 130 -22.645 4.330 -8.720 1.00 5.67 O ATOM 2132 CB LYS A 130 -25.066 5.699 -8.727 1.00 5.74 C ATOM 2133 CG LYS A 130 -26.240 6.669 -8.564 1.00 6.32 C ATOM 2134 CD LYS A 130 -27.222 6.513 -9.738 1.00 7.29 C ATOM 2135 CE LYS A 130 -26.692 7.213 -11.004 1.00 7.78 C ATOM 2136 NZ LYS A 130 -25.782 6.292 -11.742 1.00 8.42 N ATOM 0 H LYS A 130 -23.806 7.836 -8.755 1.00 4.26 H new ATOM 0 HA LYS A 130 -24.459 6.043 -6.686 1.00 5.01 H new ATOM 0 HB2 LYS A 130 -24.642 5.789 -9.727 1.00 5.74 H new ATOM 0 HB3 LYS A 130 -25.412 4.671 -8.619 1.00 5.74 H new ATOM 0 HG2 LYS A 130 -26.753 6.476 -7.622 1.00 6.32 H new ATOM 0 HG3 LYS A 130 -25.872 7.694 -8.522 1.00 6.32 H new ATOM 0 HD2 LYS A 130 -27.381 5.455 -9.944 1.00 7.29 H new ATOM 0 HD3 LYS A 130 -28.190 6.934 -9.465 1.00 7.29 H new ATOM 0 HE2 LYS A 130 -27.524 7.508 -11.644 1.00 7.78 H new ATOM 0 HE3 LYS A 130 -26.160 8.125 -10.732 1.00 7.78 H new ATOM 0 HZ1 LYS A 130 -24.798 6.609 -11.625 1.00 8.42 H new ATOM 0 HZ2 LYS A 130 -25.882 5.328 -11.364 1.00 8.42 H new ATOM 0 HZ3 LYS A 130 -26.029 6.295 -12.752 1.00 8.42 H new ATOM 2150 N GLY A 131 -22.329 4.643 -6.568 1.00 5.31 N ATOM 2151 CA GLY A 131 -21.272 3.589 -6.513 1.00 5.94 C ATOM 2152 C GLY A 131 -21.930 2.224 -6.297 1.00 6.20 C ATOM 2153 O GLY A 131 -23.075 2.136 -5.903 1.00 6.51 O ATOM 0 H GLY A 131 -22.526 5.104 -5.680 1.00 5.31 H new ATOM 0 HA2 GLY A 131 -20.697 3.586 -7.439 1.00 5.94 H new ATOM 0 HA3 GLY A 131 -20.573 3.801 -5.704 1.00 5.94 H new ATOM 2157 N VAL A 132 -21.211 1.156 -6.547 1.00 6.39 N ATOM 2158 CA VAL A 132 -21.784 -0.216 -6.351 1.00 6.87 C ATOM 2159 C VAL A 132 -21.157 -0.853 -5.108 1.00 7.31 C ATOM 2160 O VAL A 132 -19.983 -0.688 -4.844 1.00 7.54 O ATOM 2161 CB VAL A 132 -21.468 -1.077 -7.576 1.00 7.38 C ATOM 2162 CG1 VAL A 132 -22.156 -0.483 -8.806 1.00 7.84 C ATOM 2163 CG2 VAL A 132 -19.955 -1.105 -7.804 1.00 7.83 C ATOM 0 H VAL A 132 -20.247 1.175 -6.880 1.00 6.39 H new ATOM 0 HA VAL A 132 -22.864 -0.147 -6.222 1.00 6.87 H new ATOM 0 HB VAL A 132 -21.830 -2.092 -7.410 1.00 7.38 H new ATOM 0 HG11 VAL A 132 -21.932 -1.095 -9.679 1.00 7.84 H new ATOM 0 HG12 VAL A 132 -23.234 -0.461 -8.645 1.00 7.84 H new ATOM 0 HG13 VAL A 132 -21.793 0.532 -8.971 1.00 7.84 H new ATOM 0 HG21 VAL A 132 -19.730 -1.718 -8.677 1.00 7.83 H new ATOM 0 HG22 VAL A 132 -19.593 -0.090 -7.971 1.00 7.83 H new ATOM 0 HG23 VAL A 132 -19.463 -1.526 -6.928 1.00 7.83 H new ATOM 2173 N VAL A 133 -21.938 -1.579 -4.343 1.00 7.71 N ATOM 2174 CA VAL A 133 -21.408 -2.239 -3.105 1.00 8.45 C ATOM 2175 C VAL A 133 -21.560 -3.755 -3.232 1.00 8.66 C ATOM 2176 O VAL A 133 -22.236 -4.250 -4.111 1.00 8.87 O ATOM 2177 CB VAL A 133 -22.203 -1.751 -1.891 1.00 9.00 C ATOM 2178 CG1 VAL A 133 -21.931 -0.263 -1.667 1.00 9.52 C ATOM 2179 CG2 VAL A 133 -23.698 -1.963 -2.141 1.00 9.12 C ATOM 0 H VAL A 133 -22.928 -1.744 -4.524 1.00 7.71 H new ATOM 0 HA VAL A 133 -20.355 -1.987 -2.980 1.00 8.45 H new ATOM 0 HB VAL A 133 -21.898 -2.313 -1.008 1.00 9.00 H new ATOM 0 HG11 VAL A 133 -22.497 0.084 -0.803 1.00 9.52 H new ATOM 0 HG12 VAL A 133 -20.867 -0.111 -1.489 1.00 9.52 H new ATOM 0 HG13 VAL A 133 -22.235 0.299 -2.550 1.00 9.52 H new ATOM 0 HG21 VAL A 133 -24.264 -1.616 -1.277 1.00 9.12 H new ATOM 0 HG22 VAL A 133 -24.002 -1.401 -3.024 1.00 9.12 H new ATOM 0 HG23 VAL A 133 -23.893 -3.023 -2.300 1.00 9.12 H new ATOM 2189 N VAL A 134 -20.933 -4.497 -2.360 1.00 8.83 N ATOM 2190 CA VAL A 134 -21.038 -5.982 -2.429 1.00 9.26 C ATOM 2191 C VAL A 134 -22.394 -6.425 -1.874 1.00 9.25 C ATOM 2192 O VAL A 134 -22.779 -6.056 -0.782 1.00 9.26 O ATOM 2193 CB VAL A 134 -19.917 -6.609 -1.599 1.00 9.44 C ATOM 2194 CG1 VAL A 134 -19.933 -8.128 -1.781 1.00 10.00 C ATOM 2195 CG2 VAL A 134 -18.568 -6.056 -2.066 1.00 9.45 C ATOM 0 H VAL A 134 -20.352 -4.138 -1.602 1.00 8.83 H new ATOM 0 HA VAL A 134 -20.948 -6.306 -3.466 1.00 9.26 H new ATOM 0 HB VAL A 134 -20.067 -6.368 -0.547 1.00 9.44 H new ATOM 0 HG11 VAL A 134 -19.134 -8.574 -1.189 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -20.893 -8.524 -1.451 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -19.783 -8.370 -2.833 1.00 10.00 H new ATOM 0 HG21 VAL A 134 -17.768 -6.502 -1.475 1.00 9.45 H new ATOM 0 HG22 VAL A 134 -18.420 -6.298 -3.118 1.00 9.45 H new ATOM 0 HG23 VAL A 134 -18.554 -4.974 -1.937 1.00 9.45 H new ATOM 2205 N ALA A 135 -23.119 -7.215 -2.617 1.00 9.49 N ATOM 2206 CA ALA A 135 -24.449 -7.682 -2.132 1.00 9.78 C ATOM 2207 C ALA A 135 -24.932 -8.839 -3.007 1.00 10.09 C ATOM 2208 O ALA A 135 -25.007 -9.971 -2.571 1.00 10.21 O ATOM 2209 CB ALA A 135 -25.453 -6.530 -2.209 1.00 10.09 C ATOM 0 H ALA A 135 -22.848 -7.557 -3.539 1.00 9.49 H new ATOM 0 HA ALA A 135 -24.362 -8.019 -1.099 1.00 9.78 H new ATOM 0 HB1 ALA A 135 -26.426 -6.871 -1.855 1.00 10.09 H new ATOM 0 HB2 ALA A 135 -25.108 -5.705 -1.586 1.00 10.09 H new ATOM 0 HB3 ALA A 135 -25.541 -6.193 -3.242 1.00 10.09 H new ATOM 2215 N GLY A 136 -25.259 -8.566 -4.240 1.00 10.42 N ATOM 2216 CA GLY A 136 -25.737 -9.651 -5.143 1.00 10.92 C ATOM 2217 C GLY A 136 -26.448 -9.036 -6.351 1.00 10.81 C ATOM 2218 O GLY A 136 -25.867 -8.288 -7.111 1.00 10.79 O ATOM 0 H GLY A 136 -25.216 -7.638 -4.662 1.00 10.42 H new ATOM 0 HA2 GLY A 136 -24.896 -10.260 -5.474 1.00 10.92 H new ATOM 0 HA3 GLY A 136 -26.417 -10.312 -4.606 1.00 10.92 H new ATOM 2222 N GLY A 137 -27.703 -9.347 -6.532 1.00 10.95 N ATOM 2223 CA GLY A 137 -28.453 -8.782 -7.690 1.00 11.08 C ATOM 2224 C GLY A 137 -29.885 -9.320 -7.678 1.00 10.93 C ATOM 2225 O GLY A 137 -30.127 -10.473 -7.972 1.00 10.97 O ATOM 0 H GLY A 137 -28.241 -9.968 -5.928 1.00 10.95 H new ATOM 0 HA2 GLY A 137 -28.461 -7.693 -7.636 1.00 11.08 H new ATOM 0 HA3 GLY A 137 -27.959 -9.051 -8.624 1.00 11.08 H new ATOM 2229 N VAL A 138 -30.837 -8.495 -7.334 1.00 10.96 N ATOM 2230 CA VAL A 138 -32.251 -8.965 -7.297 1.00 11.02 C ATOM 2231 C VAL A 138 -32.332 -10.238 -6.448 1.00 11.10 C ATOM 2232 O VAL A 138 -33.152 -11.104 -6.681 1.00 11.23 O ATOM 2233 CB VAL A 138 -32.731 -9.254 -8.727 1.00 11.24 C ATOM 2234 CG1 VAL A 138 -34.262 -9.250 -8.776 1.00 11.29 C ATOM 2235 CG2 VAL A 138 -32.196 -8.172 -9.669 1.00 11.73 C ATOM 0 H VAL A 138 -30.697 -7.518 -7.078 1.00 10.96 H new ATOM 0 HA VAL A 138 -32.888 -8.197 -6.858 1.00 11.02 H new ATOM 0 HB VAL A 138 -32.363 -10.232 -9.036 1.00 11.24 H new ATOM 0 HG11 VAL A 138 -34.594 -9.456 -9.794 1.00 11.29 H new ATOM 0 HG12 VAL A 138 -34.649 -10.017 -8.106 1.00 11.29 H new ATOM 0 HG13 VAL A 138 -34.633 -8.274 -8.463 1.00 11.29 H new ATOM 0 HG21 VAL A 138 -32.535 -8.374 -10.685 1.00 11.73 H new ATOM 0 HG22 VAL A 138 -32.565 -7.197 -9.350 1.00 11.73 H new ATOM 0 HG23 VAL A 138 -31.106 -8.173 -9.643 1.00 11.73 H new ATOM 2245 N HIS A 139 -31.483 -10.357 -5.463 1.00 11.24 N ATOM 2246 CA HIS A 139 -31.506 -11.572 -4.599 1.00 11.56 C ATOM 2247 C HIS A 139 -31.510 -12.824 -5.478 1.00 11.58 C ATOM 2248 O HIS A 139 -31.259 -12.759 -6.665 1.00 11.58 O ATOM 2249 CB HIS A 139 -32.763 -11.555 -3.727 1.00 11.70 C ATOM 2250 CG HIS A 139 -32.650 -10.458 -2.704 1.00 12.07 C ATOM 2251 ND1 HIS A 139 -31.639 -9.511 -2.745 1.00 12.47 N ATOM 2252 CD2 HIS A 139 -33.413 -10.145 -1.606 1.00 12.33 C ATOM 2253 CE1 HIS A 139 -31.819 -8.681 -1.702 1.00 12.93 C ATOM 2254 NE2 HIS A 139 -32.886 -9.022 -0.975 1.00 12.88 N ATOM 0 H HIS A 139 -30.774 -9.665 -5.219 1.00 11.24 H new ATOM 0 HA HIS A 139 -30.622 -11.580 -3.961 1.00 11.56 H new ATOM 0 HB2 HIS A 139 -33.646 -11.399 -4.347 1.00 11.70 H new ATOM 0 HB3 HIS A 139 -32.887 -12.518 -3.231 1.00 11.70 H new ATOM 0 HD2 HIS A 139 -34.289 -10.688 -1.282 1.00 12.33 H new ATOM 0 HE1 HIS A 139 -31.178 -7.841 -1.479 1.00 12.93 H new ATOM 0 HE2 HIS A 139 -33.239 -8.559 -0.137 1.00 12.88 H new ATOM 2262 N HIS A 140 -31.795 -13.965 -4.900 1.00 11.84 N ATOM 2263 CA HIS A 140 -31.820 -15.239 -5.687 1.00 12.12 C ATOM 2264 C HIS A 140 -33.088 -16.023 -5.339 1.00 12.14 C ATOM 2265 O HIS A 140 -34.146 -15.784 -5.887 1.00 12.31 O ATOM 2266 CB HIS A 140 -30.590 -16.079 -5.334 1.00 12.66 C ATOM 2267 CG HIS A 140 -29.346 -15.361 -5.784 1.00 12.85 C ATOM 2268 ND1 HIS A 140 -28.885 -15.428 -7.090 1.00 13.12 N ATOM 2269 CD2 HIS A 140 -28.457 -14.557 -5.114 1.00 13.01 C ATOM 2270 CE1 HIS A 140 -27.766 -14.684 -7.163 1.00 13.43 C ATOM 2271 NE2 HIS A 140 -27.460 -14.131 -5.987 1.00 13.38 N ATOM 0 H HIS A 140 -32.013 -14.070 -3.909 1.00 11.84 H new ATOM 0 HA HIS A 140 -31.811 -15.011 -6.753 1.00 12.12 H new ATOM 0 HB2 HIS A 140 -30.553 -16.255 -4.259 1.00 12.66 H new ATOM 0 HB3 HIS A 140 -30.653 -17.055 -5.814 1.00 12.66 H new ATOM 0 HD2 HIS A 140 -28.522 -14.295 -4.068 1.00 13.01 H new ATOM 0 HE1 HIS A 140 -27.186 -14.550 -8.064 1.00 13.43 H new ATOM 0 HE2 HIS A 140 -26.666 -13.527 -5.774 1.00 13.38 H new ATOM 2279 N HIS A 141 -32.994 -16.956 -4.432 1.00 12.15 N ATOM 2280 CA HIS A 141 -34.199 -17.749 -4.056 1.00 12.34 C ATOM 2281 C HIS A 141 -34.858 -18.299 -5.323 1.00 12.56 C ATOM 2282 O HIS A 141 -34.211 -18.897 -6.159 1.00 12.54 O ATOM 2283 CB HIS A 141 -35.188 -16.849 -3.311 1.00 12.27 C ATOM 2284 CG HIS A 141 -34.468 -16.110 -2.216 1.00 12.29 C ATOM 2285 ND1 HIS A 141 -34.492 -14.727 -2.118 1.00 12.49 N ATOM 2286 CD2 HIS A 141 -33.700 -16.546 -1.165 1.00 12.37 C ATOM 2287 CE1 HIS A 141 -33.759 -14.384 -1.043 1.00 12.67 C ATOM 2288 NE2 HIS A 141 -33.253 -15.455 -0.425 1.00 12.62 N ATOM 0 H HIS A 141 -32.138 -17.203 -3.936 1.00 12.15 H new ATOM 0 HA HIS A 141 -33.907 -18.577 -3.410 1.00 12.34 H new ATOM 0 HB2 HIS A 141 -35.644 -16.141 -4.003 1.00 12.27 H new ATOM 0 HB3 HIS A 141 -35.995 -17.448 -2.890 1.00 12.27 H new ATOM 0 HD2 HIS A 141 -33.476 -17.580 -0.945 1.00 12.37 H new ATOM 0 HE1 HIS A 141 -33.599 -13.366 -0.719 1.00 12.67 H new ATOM 0 HE2 HIS A 141 -32.666 -15.470 0.409 1.00 12.62 H new ATOM 2296 N HIS A 142 -36.140 -18.102 -5.475 1.00 12.97 N ATOM 2297 CA HIS A 142 -36.832 -18.616 -6.691 1.00 13.40 C ATOM 2298 C HIS A 142 -36.501 -17.724 -7.893 1.00 13.78 C ATOM 2299 O HIS A 142 -36.003 -16.628 -7.745 1.00 13.99 O ATOM 2300 CB HIS A 142 -38.347 -18.626 -6.460 1.00 13.68 C ATOM 2301 CG HIS A 142 -38.809 -17.292 -5.927 1.00 13.93 C ATOM 2302 ND1 HIS A 142 -40.133 -17.059 -5.587 1.00 14.12 N ATOM 2303 CD2 HIS A 142 -38.147 -16.113 -5.671 1.00 14.22 C ATOM 2304 CE1 HIS A 142 -40.225 -15.789 -5.153 1.00 14.49 C ATOM 2305 NE2 HIS A 142 -39.044 -15.168 -5.184 1.00 14.57 N ATOM 0 H HIS A 142 -36.737 -17.608 -4.811 1.00 12.97 H new ATOM 0 HA HIS A 142 -36.492 -19.632 -6.892 1.00 13.40 H new ATOM 0 HB2 HIS A 142 -38.862 -18.849 -7.395 1.00 13.68 H new ATOM 0 HB3 HIS A 142 -38.608 -19.416 -5.756 1.00 13.68 H new ATOM 0 HD2 HIS A 142 -37.091 -15.947 -5.825 1.00 14.22 H new ATOM 0 HE1 HIS A 142 -41.143 -15.328 -4.820 1.00 14.49 H new ATOM 0 HE2 HIS A 142 -38.842 -14.207 -4.909 1.00 14.57 H new ATOM 2313 N HIS A 143 -36.776 -18.189 -9.083 1.00 14.05 N ATOM 2314 CA HIS A 143 -36.481 -17.371 -10.297 1.00 14.61 C ATOM 2315 C HIS A 143 -34.994 -17.000 -10.330 1.00 14.84 C ATOM 2316 O HIS A 143 -34.503 -16.272 -9.491 1.00 15.15 O ATOM 2317 CB HIS A 143 -37.326 -16.095 -10.268 1.00 15.10 C ATOM 2318 CG HIS A 143 -37.306 -15.445 -11.626 1.00 15.48 C ATOM 2319 ND1 HIS A 143 -36.482 -15.893 -12.647 1.00 15.71 N ATOM 2320 CD2 HIS A 143 -38.004 -14.383 -12.146 1.00 15.83 C ATOM 2321 CE1 HIS A 143 -36.703 -15.109 -13.719 1.00 16.18 C ATOM 2322 NE2 HIS A 143 -37.621 -14.173 -13.467 1.00 16.28 N ATOM 0 H HIS A 143 -37.193 -19.101 -9.267 1.00 14.05 H new ATOM 0 HA HIS A 143 -36.723 -17.951 -11.187 1.00 14.61 H new ATOM 0 HB2 HIS A 143 -38.351 -16.332 -9.982 1.00 15.10 H new ATOM 0 HB3 HIS A 143 -36.937 -15.406 -9.518 1.00 15.10 H new ATOM 0 HD2 HIS A 143 -38.739 -13.799 -11.611 1.00 15.83 H new ATOM 0 HE1 HIS A 143 -36.199 -15.223 -14.667 1.00 16.18 H new ATOM 0 HE2 HIS A 143 -37.967 -13.457 -14.106 1.00 16.28 H new ATOM 2330 N HIS A 144 -34.271 -17.492 -11.298 1.00 14.86 N ATOM 2331 CA HIS A 144 -32.819 -17.165 -11.383 1.00 15.27 C ATOM 2332 C HIS A 144 -32.306 -17.488 -12.787 1.00 15.55 C ATOM 2333 O HIS A 144 -32.265 -16.584 -13.605 1.00 15.64 O ATOM 2334 CB HIS A 144 -32.050 -17.996 -10.353 1.00 15.46 C ATOM 2335 CG HIS A 144 -30.580 -17.695 -10.458 1.00 15.63 C ATOM 2336 ND1 HIS A 144 -30.103 -16.441 -10.808 1.00 15.72 N ATOM 2337 CD2 HIS A 144 -29.468 -18.476 -10.259 1.00 15.90 C ATOM 2338 CE1 HIS A 144 -28.759 -16.504 -10.809 1.00 16.03 C ATOM 2339 NE2 HIS A 144 -28.320 -17.722 -10.481 1.00 16.15 N ATOM 2340 OXT HIS A 144 -31.962 -18.635 -13.021 1.00 15.80 O ATOM 0 H HIS A 144 -34.622 -18.106 -12.033 1.00 14.86 H new ATOM 0 HA HIS A 144 -32.671 -16.105 -11.178 1.00 15.27 H new ATOM 0 HB2 HIS A 144 -32.407 -17.770 -9.348 1.00 15.46 H new ATOM 0 HB3 HIS A 144 -32.227 -19.058 -10.522 1.00 15.46 H new ATOM 0 HD2 HIS A 144 -29.482 -19.517 -9.973 1.00 15.90 H new ATOM 0 HE1 HIS A 144 -28.114 -15.671 -11.046 1.00 16.03 H new ATOM 0 HE2 HIS A 144 -27.351 -18.033 -10.409 1.00 16.15 H new TER 2348 HIS A 144