USER MOD reduce.3.24.130724 H: found=0, std=0, add=1177, rem=0, adj=39 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 -119:sc= -0.0315 (180deg=-0.527) USER MOD Set 1.2: A 99 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 28 GLN : amide:sc= 0 X(o=2.5,f=2.3) USER MOD Set 2.2: A 38 THR OG1 : rot -63:sc= 1.42 USER MOD Set 2.3: A 41 SER OG : rot 51:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc=-0.000199 (180deg=-0.466) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 3 LYS NZ :NH3+ 161:sc= -0.0578 (180deg=-0.591) USER MOD Single : A 9 THR OG1 : rot -75:sc= 0.899 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= -2.54 K(o=-2.5,f=-6.3!) USER MOD Single : A 21 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.8!) USER MOD Single : A 27 GLN : amide:sc= -0.188 K(o=-0.19,f=-2!) USER MOD Single : A 31 SER OG : rot -74:sc= -0.0902 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.907 X(o=-0.91,f=-0.63) USER MOD Single : A 44 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.873 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -3.17! (180deg=-3.74!) USER MOD Single : A 52 SER OG : rot -139:sc= 0.00389 USER MOD Single : A 53 THR OG1 : rot 70:sc= 0.124 USER MOD Single : A 56 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -112:sc= -2.61! (180deg=-5!) USER MOD Single : A 66 THR OG1 : rot 81:sc= 0.414 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.0549 (180deg=-0.494) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 97:sc= 1.23 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 75:sc= 0.391 USER MOD Single : A 87 CYS SG : rot -5:sc= -2.84 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -159:sc= -0.0247 (180deg=-0.282) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 97 LYS NZ :NH3+ -137:sc= 1.01 (180deg=-1.91!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.14) USER MOD Single : A 109 ASN : amide:sc= 0.498 K(o=0.5,f=-0.46) USER MOD Single : A 110 ASN : amide:sc= -2.02 K(o=-2,f=-0.95) USER MOD Single : A 111 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.384) USER MOD Single : A 112 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.75) USER MOD Single : A 117 LYS NZ :NH3+ -171:sc= -1.14! (180deg=-1.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 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= -2.62! C(o=-2.6!,f=-1.6!) USER MOD Single : A 126 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.105) USER MOD Single : A 128 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.57) USER MOD Single : A 140 HIS : no HE2:sc= -3.83 X(o=-3.8,f=-3.5) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 142 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.27) USER MOD Single : A 143 HIS : no HE2:sc= -0.448 K(o=-0.45,f=-4.9!) USER MOD Single : A 144 HIS : no HD1:sc= -0.717 X(o=-0.72,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.548 19.162 -14.488 1.00 9.55 N ATOM 2 CA MET A 1 12.696 19.134 -13.267 1.00 8.99 C ATOM 3 C MET A 1 13.553 19.449 -12.038 1.00 8.11 C ATOM 4 O MET A 1 14.766 19.451 -12.101 1.00 8.07 O ATOM 5 CB MET A 1 12.071 17.745 -13.114 1.00 9.53 C ATOM 6 CG MET A 1 11.159 17.462 -14.310 1.00 9.86 C ATOM 7 SD MET A 1 10.367 15.848 -14.098 1.00 10.51 S ATOM 8 CE MET A 1 11.595 14.864 -14.993 1.00 11.01 C ATOM 0 H1 MET A 1 13.059 19.688 -15.240 1.00 9.55 H new ATOM 0 H2 MET A 1 14.452 19.629 -14.270 1.00 9.55 H new ATOM 0 H3 MET A 1 13.729 18.189 -14.807 1.00 9.55 H new ATOM 0 HA MET A 1 11.906 19.880 -13.357 1.00 8.99 H new ATOM 0 HB2 MET A 1 12.852 16.988 -13.052 1.00 9.53 H new ATOM 0 HB3 MET A 1 11.500 17.691 -12.187 1.00 9.53 H new ATOM 0 HG2 MET A 1 10.402 18.242 -14.396 1.00 9.86 H new ATOM 0 HG3 MET A 1 11.738 17.476 -15.234 1.00 9.86 H new ATOM 0 HE1 MET A 1 11.297 13.816 -14.985 1.00 11.01 H new ATOM 0 HE2 MET A 1 11.662 15.214 -16.023 1.00 11.01 H new ATOM 0 HE3 MET A 1 12.567 14.969 -14.511 1.00 11.01 H new ATOM 20 N THR A 2 12.932 19.718 -10.922 1.00 7.65 N ATOM 21 CA THR A 2 13.712 20.036 -9.693 1.00 6.99 C ATOM 22 C THR A 2 14.399 18.770 -9.179 1.00 6.39 C ATOM 23 O THR A 2 13.941 17.667 -9.406 1.00 6.45 O ATOM 24 CB THR A 2 12.768 20.576 -8.616 1.00 7.19 C ATOM 25 OG1 THR A 2 11.758 19.613 -8.347 1.00 7.73 O ATOM 26 CG2 THR A 2 12.121 21.873 -9.105 1.00 7.47 C ATOM 0 H THR A 2 11.918 19.731 -10.808 1.00 7.65 H new ATOM 0 HA THR A 2 14.466 20.787 -9.928 1.00 6.99 H new ATOM 0 HB THR A 2 13.332 20.775 -7.705 1.00 7.19 H new ATOM 0 HG1 THR A 2 11.154 19.957 -7.656 1.00 7.73 H new ATOM 0 HG21 THR A 2 11.449 22.256 -8.337 1.00 7.47 H new ATOM 0 HG22 THR A 2 12.896 22.611 -9.310 1.00 7.47 H new ATOM 0 HG23 THR A 2 11.556 21.677 -10.016 1.00 7.47 H new ATOM 34 N LYS A 3 15.497 18.918 -8.486 1.00 6.19 N ATOM 35 CA LYS A 3 16.214 17.723 -7.958 1.00 6.01 C ATOM 36 C LYS A 3 15.510 17.232 -6.688 1.00 5.30 C ATOM 37 O LYS A 3 16.106 16.597 -5.841 1.00 5.35 O ATOM 38 CB LYS A 3 17.668 18.104 -7.637 1.00 6.71 C ATOM 39 CG LYS A 3 18.545 16.847 -7.611 1.00 7.63 C ATOM 40 CD LYS A 3 19.988 17.238 -7.282 1.00 8.30 C ATOM 41 CE LYS A 3 20.809 15.976 -7.011 1.00 9.15 C ATOM 42 NZ LYS A 3 20.659 15.030 -8.153 1.00 9.76 N ATOM 0 H LYS A 3 15.928 19.815 -8.263 1.00 6.19 H new ATOM 0 HA LYS A 3 16.208 16.927 -8.703 1.00 6.01 H new ATOM 0 HB2 LYS A 3 18.043 18.804 -8.384 1.00 6.71 H new ATOM 0 HB3 LYS A 3 17.716 18.611 -6.673 1.00 6.71 H new ATOM 0 HG2 LYS A 3 18.169 16.144 -6.868 1.00 7.63 H new ATOM 0 HG3 LYS A 3 18.505 16.343 -8.576 1.00 7.63 H new ATOM 0 HD2 LYS A 3 20.423 17.797 -8.111 1.00 8.30 H new ATOM 0 HD3 LYS A 3 20.009 17.893 -6.411 1.00 8.30 H new ATOM 0 HE2 LYS A 3 21.859 16.235 -6.875 1.00 9.15 H new ATOM 0 HE3 LYS A 3 20.475 15.503 -6.087 1.00 9.15 H new ATOM 0 HZ1 LYS A 3 21.437 14.340 -8.137 1.00 9.76 H new ATOM 0 HZ2 LYS A 3 19.751 14.530 -8.072 1.00 9.76 H new ATOM 0 HZ3 LYS A 3 20.684 15.559 -9.048 1.00 9.76 H new ATOM 56 N VAL A 4 14.245 17.523 -6.548 1.00 4.99 N ATOM 57 CA VAL A 4 13.508 17.073 -5.334 1.00 4.62 C ATOM 58 C VAL A 4 13.583 15.549 -5.233 1.00 3.72 C ATOM 59 O VAL A 4 13.860 14.867 -6.200 1.00 3.85 O ATOM 60 CB VAL A 4 12.045 17.510 -5.432 1.00 5.40 C ATOM 61 CG1 VAL A 4 11.424 16.935 -6.706 1.00 5.99 C ATOM 62 CG2 VAL A 4 11.275 16.993 -4.214 1.00 5.96 C ATOM 0 H VAL A 4 13.691 18.052 -7.221 1.00 4.99 H new ATOM 0 HA VAL A 4 13.958 17.519 -4.447 1.00 4.62 H new ATOM 0 HB VAL A 4 11.994 18.598 -5.461 1.00 5.40 H new ATOM 0 HG11 VAL A 4 10.382 17.247 -6.775 1.00 5.99 H new ATOM 0 HG12 VAL A 4 11.971 17.301 -7.575 1.00 5.99 H new ATOM 0 HG13 VAL A 4 11.476 15.847 -6.677 1.00 5.99 H new ATOM 0 HG21 VAL A 4 10.233 17.304 -4.284 1.00 5.96 H new ATOM 0 HG22 VAL A 4 11.328 15.905 -4.185 1.00 5.96 H new ATOM 0 HG23 VAL A 4 11.716 17.402 -3.305 1.00 5.96 H new ATOM 72 N ASP A 5 13.339 15.008 -4.071 1.00 3.31 N ATOM 73 CA ASP A 5 13.399 13.528 -3.913 1.00 2.92 C ATOM 74 C ASP A 5 12.573 12.861 -5.015 1.00 2.11 C ATOM 75 O ASP A 5 11.823 13.505 -5.720 1.00 2.43 O ATOM 76 CB ASP A 5 12.835 13.136 -2.546 1.00 3.73 C ATOM 77 CG ASP A 5 13.071 11.644 -2.305 1.00 4.37 C ATOM 78 OD1 ASP A 5 14.184 11.290 -1.950 1.00 4.78 O ATOM 79 OD2 ASP A 5 12.136 10.880 -2.480 1.00 4.87 O ATOM 0 H ASP A 5 13.101 15.526 -3.225 1.00 3.31 H new ATOM 0 HA ASP A 5 14.435 13.199 -3.987 1.00 2.92 H new ATOM 0 HB2 ASP A 5 13.314 13.722 -1.762 1.00 3.73 H new ATOM 0 HB3 ASP A 5 11.769 13.358 -2.504 1.00 3.73 H new ATOM 84 N PHE A 6 12.705 11.571 -5.164 1.00 1.65 N ATOM 85 CA PHE A 6 11.931 10.846 -6.215 1.00 1.63 C ATOM 86 C PHE A 6 11.567 9.459 -5.689 1.00 1.38 C ATOM 87 O PHE A 6 12.303 8.870 -4.922 1.00 1.88 O ATOM 88 CB PHE A 6 12.789 10.706 -7.476 1.00 2.27 C ATOM 89 CG PHE A 6 12.011 9.966 -8.539 1.00 2.46 C ATOM 90 CD1 PHE A 6 11.087 10.653 -9.336 1.00 2.80 C ATOM 91 CD2 PHE A 6 12.214 8.593 -8.728 1.00 3.07 C ATOM 92 CE1 PHE A 6 10.367 9.968 -10.322 1.00 3.39 C ATOM 93 CE2 PHE A 6 11.493 7.908 -9.715 1.00 3.67 C ATOM 94 CZ PHE A 6 10.570 8.596 -10.512 1.00 3.70 C ATOM 0 H PHE A 6 13.319 10.984 -4.600 1.00 1.65 H new ATOM 0 HA PHE A 6 11.024 11.400 -6.458 1.00 1.63 H new ATOM 0 HB2 PHE A 6 13.078 11.691 -7.842 1.00 2.27 H new ATOM 0 HB3 PHE A 6 13.709 10.169 -7.244 1.00 2.27 H new ATOM 0 HD1 PHE A 6 10.930 11.711 -9.190 1.00 2.80 H new ATOM 0 HD2 PHE A 6 12.926 8.063 -8.113 1.00 3.07 H new ATOM 0 HE1 PHE A 6 9.655 10.498 -10.936 1.00 3.39 H new ATOM 0 HE2 PHE A 6 11.649 6.849 -9.861 1.00 3.67 H new ATOM 0 HZ PHE A 6 10.015 8.068 -11.273 1.00 3.70 H new ATOM 104 N TRP A 7 10.433 8.935 -6.091 1.00 1.09 N ATOM 105 CA TRP A 7 10.003 7.581 -5.614 1.00 0.88 C ATOM 106 C TRP A 7 9.715 6.689 -6.841 1.00 0.73 C ATOM 107 O TRP A 7 9.389 7.204 -7.893 1.00 0.71 O ATOM 108 CB TRP A 7 8.720 7.739 -4.775 1.00 0.91 C ATOM 109 CG TRP A 7 9.072 8.046 -3.350 1.00 0.90 C ATOM 110 CD1 TRP A 7 9.838 7.264 -2.554 1.00 1.12 C ATOM 111 CD2 TRP A 7 8.689 9.198 -2.545 1.00 0.83 C ATOM 112 NE1 TRP A 7 9.945 7.860 -1.312 1.00 1.12 N ATOM 113 CE2 TRP A 7 9.255 9.054 -1.256 1.00 0.95 C ATOM 114 CE3 TRP A 7 7.912 10.341 -2.803 1.00 0.89 C ATOM 115 CZ2 TRP A 7 9.058 10.010 -0.259 1.00 1.04 C ATOM 116 CZ3 TRP A 7 7.712 11.306 -1.802 1.00 1.09 C ATOM 117 CH2 TRP A 7 8.283 11.140 -0.533 1.00 1.12 C ATOM 0 H TRP A 7 9.783 9.390 -6.733 1.00 1.09 H new ATOM 0 HA TRP A 7 10.784 7.124 -5.007 1.00 0.88 H new ATOM 0 HB2 TRP A 7 8.103 8.538 -5.186 1.00 0.91 H new ATOM 0 HB3 TRP A 7 8.129 6.824 -4.823 1.00 0.91 H new ATOM 0 HD1 TRP A 7 10.291 6.327 -2.842 1.00 1.12 H new ATOM 0 HE1 TRP A 7 10.470 7.466 -0.532 1.00 1.12 H new ATOM 0 HE3 TRP A 7 7.466 10.478 -3.777 1.00 0.89 H new ATOM 0 HZ2 TRP A 7 9.501 9.878 0.717 1.00 1.04 H new ATOM 0 HZ3 TRP A 7 7.115 12.181 -2.012 1.00 1.09 H new ATOM 0 HH2 TRP A 7 8.124 11.885 0.233 1.00 1.12 H new ATOM 128 N PRO A 8 9.827 5.379 -6.689 1.00 0.67 N ATOM 129 CA PRO A 8 9.557 4.448 -7.806 1.00 0.58 C ATOM 130 C PRO A 8 8.113 4.622 -8.330 1.00 0.52 C ATOM 131 O PRO A 8 7.641 3.850 -9.133 1.00 0.58 O ATOM 132 CB PRO A 8 9.775 3.036 -7.207 1.00 0.62 C ATOM 133 CG PRO A 8 10.149 3.209 -5.709 1.00 0.71 C ATOM 134 CD PRO A 8 10.233 4.721 -5.423 1.00 0.75 C ATOM 0 HA PRO A 8 10.208 4.628 -8.662 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.872 2.434 -7.308 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.568 2.513 -7.741 1.00 0.62 H new ATOM 0 HG2 PRO A 8 9.401 2.739 -5.071 1.00 0.71 H new ATOM 0 HG3 PRO A 8 11.101 2.725 -5.493 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.573 5.004 -4.603 1.00 0.75 H new ATOM 0 HD3 PRO A 8 11.243 5.012 -5.134 1.00 0.75 H new ATOM 142 N THR A 9 7.415 5.627 -7.884 1.00 0.48 N ATOM 143 CA THR A 9 6.014 5.845 -8.357 1.00 0.46 C ATOM 144 C THR A 9 5.151 4.636 -8.015 1.00 0.43 C ATOM 145 O THR A 9 5.641 3.574 -7.686 1.00 0.44 O ATOM 146 CB THR A 9 5.974 6.040 -9.879 1.00 0.47 C ATOM 147 OG1 THR A 9 5.953 4.769 -10.514 1.00 0.72 O ATOM 148 CG2 THR A 9 7.196 6.820 -10.352 1.00 0.73 C ATOM 0 H THR A 9 7.753 6.312 -7.209 1.00 0.48 H new ATOM 0 HA THR A 9 5.634 6.738 -7.861 1.00 0.46 H new ATOM 0 HB THR A 9 5.077 6.603 -10.138 1.00 0.47 H new ATOM 0 HG1 THR A 9 6.848 4.370 -10.478 1.00 0.72 H new ATOM 0 HG21 THR A 9 7.150 6.948 -11.433 1.00 0.73 H new ATOM 0 HG22 THR A 9 7.212 7.798 -9.871 1.00 0.73 H new ATOM 0 HG23 THR A 9 8.101 6.272 -10.090 1.00 0.73 H new ATOM 156 N LEU A 10 3.864 4.794 -8.118 1.00 0.41 N ATOM 157 CA LEU A 10 2.950 3.662 -7.831 1.00 0.40 C ATOM 158 C LEU A 10 3.010 2.671 -8.991 1.00 0.39 C ATOM 159 O LEU A 10 2.698 1.507 -8.832 1.00 0.39 O ATOM 160 CB LEU A 10 1.510 4.186 -7.662 1.00 0.41 C ATOM 161 CG LEU A 10 0.477 3.040 -7.746 1.00 0.37 C ATOM 162 CD1 LEU A 10 0.695 2.038 -6.614 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.920 3.625 -7.608 1.00 0.41 C ATOM 0 H LEU A 10 3.405 5.663 -8.390 1.00 0.41 H new ATOM 0 HA LEU A 10 3.254 3.166 -6.909 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.416 4.692 -6.701 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.298 4.926 -8.434 1.00 0.41 H new ATOM 0 HG LEU A 10 0.593 2.532 -8.703 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -0.042 1.238 -6.689 1.00 0.41 H new ATOM 0 HD12 LEU A 10 1.697 1.617 -6.689 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.585 2.543 -5.655 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.657 2.824 -7.666 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -1.009 4.131 -6.647 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.096 4.339 -8.412 1.00 0.41 H new ATOM 175 N LYS A 11 3.371 3.106 -10.170 1.00 0.42 N ATOM 176 CA LYS A 11 3.396 2.166 -11.323 1.00 0.44 C ATOM 177 C LYS A 11 4.448 1.085 -11.110 1.00 0.43 C ATOM 178 O LYS A 11 4.304 -0.028 -11.575 1.00 0.45 O ATOM 179 CB LYS A 11 3.728 2.956 -12.592 1.00 0.49 C ATOM 180 CG LYS A 11 3.714 2.025 -13.806 1.00 0.83 C ATOM 181 CD LYS A 11 3.861 2.857 -15.082 1.00 0.98 C ATOM 182 CE LYS A 11 3.891 1.931 -16.299 1.00 1.64 C ATOM 183 NZ LYS A 11 3.993 2.751 -17.539 1.00 2.31 N ATOM 0 H LYS A 11 3.647 4.065 -10.381 1.00 0.42 H new ATOM 0 HA LYS A 11 2.422 1.687 -11.417 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.004 3.759 -12.731 1.00 0.49 H new ATOM 0 HB3 LYS A 11 4.708 3.424 -12.493 1.00 0.49 H new ATOM 0 HG2 LYS A 11 4.526 1.302 -13.734 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.784 1.458 -13.833 1.00 0.83 H new ATOM 0 HD2 LYS A 11 3.032 3.559 -15.167 1.00 0.98 H new ATOM 0 HD3 LYS A 11 4.776 3.448 -15.039 1.00 0.98 H new ATOM 0 HE2 LYS A 11 4.738 1.248 -16.230 1.00 1.64 H new ATOM 0 HE3 LYS A 11 2.989 1.319 -16.327 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 4.014 2.124 -18.369 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 3.171 3.385 -17.604 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 4.865 3.317 -17.510 1.00 2.31 H new ATOM 197 N ASP A 12 5.517 1.397 -10.436 1.00 0.43 N ATOM 198 CA ASP A 12 6.567 0.368 -10.241 1.00 0.45 C ATOM 199 C ASP A 12 5.985 -0.803 -9.451 1.00 0.44 C ATOM 200 O ASP A 12 6.464 -1.917 -9.522 1.00 0.46 O ATOM 201 CB ASP A 12 7.732 0.971 -9.468 1.00 0.48 C ATOM 202 CG ASP A 12 8.819 -0.088 -9.278 1.00 1.16 C ATOM 203 OD1 ASP A 12 8.927 -0.955 -10.129 1.00 1.94 O ATOM 204 OD2 ASP A 12 9.529 -0.010 -8.289 1.00 1.88 O ATOM 0 H ASP A 12 5.706 2.308 -10.017 1.00 0.43 H new ATOM 0 HA ASP A 12 6.919 0.017 -11.211 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.135 1.829 -10.007 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.390 1.335 -8.499 1.00 0.48 H new ATOM 209 N ALA A 13 4.955 -0.547 -8.676 1.00 0.43 N ATOM 210 CA ALA A 13 4.348 -1.635 -7.862 1.00 0.45 C ATOM 211 C ALA A 13 3.956 -2.796 -8.773 1.00 0.49 C ATOM 212 O ALA A 13 3.780 -3.914 -8.330 1.00 0.57 O ATOM 213 CB ALA A 13 3.109 -1.100 -7.142 1.00 0.44 C ATOM 0 H ALA A 13 4.514 0.367 -8.577 1.00 0.43 H new ATOM 0 HA ALA A 13 5.070 -1.986 -7.125 1.00 0.45 H new ATOM 0 HB1 ALA A 13 2.663 -1.896 -6.545 1.00 0.44 H new ATOM 0 HB2 ALA A 13 3.395 -0.274 -6.490 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.385 -0.748 -7.877 1.00 0.44 H new ATOM 219 N TYR A 14 3.824 -2.542 -10.045 1.00 0.54 N ATOM 220 CA TYR A 14 3.449 -3.630 -10.991 1.00 0.60 C ATOM 221 C TYR A 14 4.713 -4.380 -11.418 1.00 0.67 C ATOM 222 O TYR A 14 4.748 -5.593 -11.432 1.00 1.15 O ATOM 223 CB TYR A 14 2.773 -3.021 -12.222 1.00 0.61 C ATOM 224 CG TYR A 14 1.374 -2.573 -11.861 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.187 -1.421 -11.085 1.00 1.37 C ATOM 226 CD2 TYR A 14 0.264 -3.307 -12.300 1.00 1.32 C ATOM 227 CE1 TYR A 14 -0.108 -1.005 -10.749 1.00 1.41 C ATOM 228 CE2 TYR A 14 -1.030 -2.891 -11.963 1.00 1.33 C ATOM 229 CZ TYR A 14 -1.216 -1.740 -11.188 1.00 0.70 C ATOM 230 OH TYR A 14 -2.491 -1.330 -10.857 1.00 0.82 O ATOM 0 H TYR A 14 3.960 -1.625 -10.471 1.00 0.54 H new ATOM 0 HA TYR A 14 2.760 -4.321 -10.506 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.354 -2.174 -12.587 1.00 0.61 H new ATOM 0 HB3 TYR A 14 2.735 -3.753 -13.028 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.041 -0.854 -10.746 1.00 1.37 H new ATOM 0 HD2 TYR A 14 0.407 -4.194 -12.899 1.00 1.32 H new ATOM 0 HE1 TYR A 14 -0.252 -0.117 -10.151 1.00 1.41 H new ATOM 0 HE2 TYR A 14 -1.885 -3.458 -12.301 1.00 1.33 H new ATOM 0 HH TYR A 14 -3.144 -1.951 -11.242 1.00 0.82 H new ATOM 240 N GLU A 15 5.750 -3.661 -11.764 1.00 0.57 N ATOM 241 CA GLU A 15 7.021 -4.317 -12.194 1.00 0.60 C ATOM 242 C GLU A 15 7.359 -5.490 -11.238 1.00 0.53 C ATOM 243 O GLU A 15 7.746 -5.243 -10.113 1.00 0.57 O ATOM 244 CB GLU A 15 8.154 -3.281 -12.137 1.00 0.68 C ATOM 245 CG GLU A 15 9.337 -3.747 -12.995 1.00 0.89 C ATOM 246 CD GLU A 15 9.943 -5.018 -12.395 1.00 1.59 C ATOM 247 OE1 GLU A 15 10.660 -4.902 -11.415 1.00 2.32 O ATOM 248 OE2 GLU A 15 9.679 -6.084 -12.926 1.00 2.12 O ATOM 0 H GLU A 15 5.771 -2.641 -11.767 1.00 0.57 H new ATOM 0 HA GLU A 15 6.909 -4.701 -13.208 1.00 0.60 H new ATOM 0 HB2 GLU A 15 7.794 -2.316 -12.494 1.00 0.68 H new ATOM 0 HB3 GLU A 15 8.476 -3.139 -11.105 1.00 0.68 H new ATOM 0 HG2 GLU A 15 9.005 -3.938 -14.016 1.00 0.89 H new ATOM 0 HG3 GLU A 15 10.092 -2.962 -13.047 1.00 0.89 H new ATOM 255 N PRO A 16 7.214 -6.731 -11.682 1.00 0.51 N ATOM 256 CA PRO A 16 7.521 -7.891 -10.819 1.00 0.48 C ATOM 257 C PRO A 16 9.009 -7.911 -10.420 1.00 0.51 C ATOM 258 O PRO A 16 9.719 -6.932 -10.526 1.00 0.76 O ATOM 259 CB PRO A 16 7.159 -9.136 -11.668 1.00 0.53 C ATOM 260 CG PRO A 16 6.638 -8.631 -13.042 1.00 0.64 C ATOM 261 CD PRO A 16 6.745 -7.092 -13.044 1.00 0.60 C ATOM 0 HA PRO A 16 6.960 -7.857 -9.885 1.00 0.48 H new ATOM 0 HB2 PRO A 16 8.031 -9.776 -11.801 1.00 0.53 H new ATOM 0 HB3 PRO A 16 6.398 -9.734 -11.166 1.00 0.53 H new ATOM 0 HG2 PRO A 16 7.226 -9.057 -13.855 1.00 0.64 H new ATOM 0 HG3 PRO A 16 5.605 -8.943 -13.198 1.00 0.64 H new ATOM 0 HD2 PRO A 16 7.445 -6.747 -13.805 1.00 0.60 H new ATOM 0 HD3 PRO A 16 5.782 -6.631 -13.264 1.00 0.60 H new ATOM 269 N LEU A 17 9.450 -9.040 -9.934 1.00 0.63 N ATOM 270 CA LEU A 17 10.859 -9.208 -9.472 1.00 0.74 C ATOM 271 C LEU A 17 11.311 -10.644 -9.744 1.00 0.79 C ATOM 272 O LEU A 17 10.512 -11.554 -9.843 1.00 1.03 O ATOM 273 CB LEU A 17 10.923 -8.952 -7.953 1.00 0.79 C ATOM 274 CG LEU A 17 10.996 -7.440 -7.659 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.985 -7.232 -6.140 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.286 -6.825 -8.257 1.00 2.28 C ATOM 0 H LEU A 17 8.875 -9.877 -9.835 1.00 0.63 H new ATOM 0 HA LEU A 17 11.504 -8.507 -10.001 1.00 0.74 H new ATOM 0 HB2 LEU A 17 10.045 -9.380 -7.470 1.00 0.79 H new ATOM 0 HB3 LEU A 17 11.795 -9.452 -7.531 1.00 0.79 H new ATOM 0 HG LEU A 17 10.138 -6.946 -8.115 1.00 1.26 H new ATOM 0 HD11 LEU A 17 11.036 -6.166 -5.918 1.00 1.12 H new ATOM 0 HD12 LEU A 17 10.067 -7.646 -5.723 1.00 1.12 H new ATOM 0 HD13 LEU A 17 11.844 -7.736 -5.697 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.316 -5.758 -8.037 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.158 -7.310 -7.818 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.293 -6.973 -9.337 1.00 2.28 H new ATOM 288 N TYR A 18 12.597 -10.847 -9.865 1.00 0.78 N ATOM 289 CA TYR A 18 13.127 -12.219 -10.132 1.00 0.88 C ATOM 290 C TYR A 18 13.350 -12.935 -8.780 1.00 0.76 C ATOM 291 O TYR A 18 13.596 -12.276 -7.789 1.00 0.63 O ATOM 292 CB TYR A 18 14.470 -12.111 -10.897 1.00 1.09 C ATOM 293 CG TYR A 18 14.589 -10.741 -11.533 1.00 0.78 C ATOM 294 CD1 TYR A 18 13.590 -10.288 -12.403 1.00 1.46 C ATOM 295 CD2 TYR A 18 15.691 -9.923 -11.246 1.00 1.41 C ATOM 296 CE1 TYR A 18 13.692 -9.020 -12.986 1.00 1.64 C ATOM 297 CE2 TYR A 18 15.791 -8.656 -11.828 1.00 1.67 C ATOM 298 CZ TYR A 18 14.793 -8.203 -12.698 1.00 1.40 C ATOM 299 OH TYR A 18 14.892 -6.952 -13.272 1.00 1.95 O ATOM 0 H TYR A 18 13.307 -10.118 -9.790 1.00 0.78 H new ATOM 0 HA TYR A 18 12.418 -12.785 -10.736 1.00 0.88 H new ATOM 0 HB2 TYR A 18 15.303 -12.279 -10.214 1.00 1.09 H new ATOM 0 HB3 TYR A 18 14.526 -12.884 -11.663 1.00 1.09 H new ATOM 0 HD1 TYR A 18 12.741 -10.917 -12.624 1.00 1.46 H new ATOM 0 HD2 TYR A 18 16.462 -10.272 -10.575 1.00 1.41 H new ATOM 0 HE1 TYR A 18 12.922 -8.671 -13.658 1.00 1.64 H new ATOM 0 HE2 TYR A 18 16.640 -8.026 -11.606 1.00 1.67 H new ATOM 0 HH TYR A 18 15.715 -6.516 -12.966 1.00 1.95 H new ATOM 309 N PRO A 19 13.280 -14.253 -8.761 1.00 0.88 N ATOM 310 CA PRO A 19 13.500 -15.010 -7.513 1.00 0.87 C ATOM 311 C PRO A 19 14.933 -14.782 -7.002 1.00 0.80 C ATOM 312 O PRO A 19 15.205 -14.896 -5.823 1.00 0.77 O ATOM 313 CB PRO A 19 13.284 -16.492 -7.903 1.00 1.11 C ATOM 314 CG PRO A 19 13.095 -16.544 -9.446 1.00 1.24 C ATOM 315 CD PRO A 19 12.978 -15.088 -9.946 1.00 1.09 C ATOM 0 HA PRO A 19 12.828 -14.700 -6.713 1.00 0.87 H new ATOM 0 HB2 PRO A 19 14.139 -17.097 -7.600 1.00 1.11 H new ATOM 0 HB3 PRO A 19 12.410 -16.899 -7.395 1.00 1.11 H new ATOM 0 HG2 PRO A 19 13.939 -17.046 -9.919 1.00 1.24 H new ATOM 0 HG3 PRO A 19 12.201 -17.112 -9.704 1.00 1.24 H new ATOM 0 HD2 PRO A 19 13.679 -14.891 -10.757 1.00 1.09 H new ATOM 0 HD3 PRO A 19 11.979 -14.881 -10.331 1.00 1.09 H new ATOM 323 N GLN A 20 15.852 -14.485 -7.881 1.00 0.80 N ATOM 324 CA GLN A 20 17.262 -14.281 -7.448 1.00 0.77 C ATOM 325 C GLN A 20 17.410 -12.932 -6.729 1.00 0.68 C ATOM 326 O GLN A 20 18.133 -12.813 -5.759 1.00 0.67 O ATOM 327 CB GLN A 20 18.171 -14.319 -8.691 1.00 0.85 C ATOM 328 CG GLN A 20 19.555 -14.853 -8.317 1.00 1.41 C ATOM 329 CD GLN A 20 20.193 -13.939 -7.269 1.00 1.86 C ATOM 330 OE1 GLN A 20 20.084 -12.732 -7.351 1.00 2.60 O ATOM 331 NE2 GLN A 20 20.860 -14.468 -6.280 1.00 2.30 N ATOM 0 H GLN A 20 15.686 -14.375 -8.881 1.00 0.80 H new ATOM 0 HA GLN A 20 17.549 -15.071 -6.754 1.00 0.77 H new ATOM 0 HB2 GLN A 20 17.724 -14.951 -9.458 1.00 0.85 H new ATOM 0 HB3 GLN A 20 18.261 -13.319 -9.115 1.00 0.85 H new ATOM 0 HG2 GLN A 20 19.471 -15.867 -7.927 1.00 1.41 H new ATOM 0 HG3 GLN A 20 20.188 -14.904 -9.203 1.00 1.41 H new ATOM 0 HE21 GLN A 20 20.952 -15.482 -6.211 1.00 2.30 H new ATOM 0 HE22 GLN A 20 21.290 -13.868 -5.576 1.00 2.30 H new ATOM 340 N GLN A 21 16.740 -11.917 -7.198 1.00 0.64 N ATOM 341 CA GLN A 21 16.854 -10.588 -6.549 1.00 0.59 C ATOM 342 C GLN A 21 16.146 -10.637 -5.186 1.00 0.50 C ATOM 343 O GLN A 21 16.628 -10.103 -4.205 1.00 0.47 O ATOM 344 CB GLN A 21 16.221 -9.543 -7.500 1.00 0.64 C ATOM 345 CG GLN A 21 15.473 -8.448 -6.734 1.00 1.02 C ATOM 346 CD GLN A 21 16.383 -7.843 -5.661 1.00 1.57 C ATOM 347 OE1 GLN A 21 15.944 -7.564 -4.563 1.00 2.34 O ATOM 348 NE2 GLN A 21 17.641 -7.630 -5.933 1.00 1.94 N ATOM 0 H GLN A 21 16.117 -11.954 -8.005 1.00 0.64 H new ATOM 0 HA GLN A 21 17.892 -10.311 -6.368 1.00 0.59 H new ATOM 0 HB2 GLN A 21 17.001 -9.089 -8.111 1.00 0.64 H new ATOM 0 HB3 GLN A 21 15.533 -10.043 -8.182 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.144 -7.671 -7.424 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.578 -8.863 -6.271 1.00 1.02 H new ATOM 0 HE21 GLN A 21 18.010 -7.864 -6.855 1.00 1.94 H new ATOM 0 HE22 GLN A 21 18.255 -7.230 -5.224 1.00 1.94 H new ATOM 357 N LEU A 22 15.011 -11.270 -5.119 1.00 0.52 N ATOM 358 CA LEU A 22 14.283 -11.346 -3.825 1.00 0.46 C ATOM 359 C LEU A 22 15.120 -12.131 -2.815 1.00 0.42 C ATOM 360 O LEU A 22 15.003 -11.941 -1.618 1.00 0.40 O ATOM 361 CB LEU A 22 12.944 -12.052 -4.046 1.00 0.52 C ATOM 362 CG LEU A 22 12.090 -11.983 -2.774 1.00 0.59 C ATOM 363 CD1 LEU A 22 11.655 -10.531 -2.488 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.854 -12.866 -2.969 1.00 0.93 C ATOM 0 H LEU A 22 14.556 -11.738 -5.903 1.00 0.52 H new ATOM 0 HA LEU A 22 14.107 -10.342 -3.440 1.00 0.46 H new ATOM 0 HB2 LEU A 22 12.412 -11.586 -4.875 1.00 0.52 H new ATOM 0 HB3 LEU A 22 13.115 -13.093 -4.322 1.00 0.52 H new ATOM 0 HG LEU A 22 12.676 -12.335 -1.925 1.00 0.59 H new ATOM 0 HD11 LEU A 22 11.050 -10.504 -1.582 1.00 0.52 H new ATOM 0 HD12 LEU A 22 12.538 -9.906 -2.354 1.00 0.52 H new ATOM 0 HD13 LEU A 22 11.069 -10.155 -3.327 1.00 0.52 H new ATOM 0 HD21 LEU A 22 10.235 -12.828 -2.073 1.00 0.93 H new ATOM 0 HD22 LEU A 22 10.280 -12.505 -3.822 1.00 0.93 H new ATOM 0 HD23 LEU A 22 11.166 -13.894 -3.151 1.00 0.93 H new ATOM 376 N GLU A 23 15.961 -13.017 -3.278 1.00 0.44 N ATOM 377 CA GLU A 23 16.787 -13.810 -2.325 1.00 0.42 C ATOM 378 C GLU A 23 17.905 -12.920 -1.768 1.00 0.38 C ATOM 379 O GLU A 23 18.353 -13.094 -0.652 1.00 0.37 O ATOM 380 CB GLU A 23 17.382 -15.029 -3.052 1.00 0.47 C ATOM 381 CG GLU A 23 17.637 -16.164 -2.056 1.00 1.13 C ATOM 382 CD GLU A 23 18.624 -15.696 -0.986 1.00 1.66 C ATOM 383 OE1 GLU A 23 19.721 -15.305 -1.350 1.00 2.30 O ATOM 384 OE2 GLU A 23 18.267 -15.738 0.180 1.00 2.28 O ATOM 0 H GLU A 23 16.110 -13.224 -4.266 1.00 0.44 H new ATOM 0 HA GLU A 23 16.169 -14.163 -1.500 1.00 0.42 H new ATOM 0 HB2 GLU A 23 16.699 -15.366 -3.832 1.00 0.47 H new ATOM 0 HB3 GLU A 23 18.314 -14.750 -3.543 1.00 0.47 H new ATOM 0 HG2 GLU A 23 16.700 -16.471 -1.591 1.00 1.13 H new ATOM 0 HG3 GLU A 23 18.035 -17.035 -2.576 1.00 1.13 H new ATOM 391 N ILE A 24 18.356 -11.964 -2.540 1.00 0.39 N ATOM 392 CA ILE A 24 19.436 -11.063 -2.061 1.00 0.39 C ATOM 393 C ILE A 24 18.928 -10.254 -0.864 1.00 0.36 C ATOM 394 O ILE A 24 19.618 -10.093 0.123 1.00 0.37 O ATOM 395 CB ILE A 24 19.846 -10.120 -3.198 1.00 0.44 C ATOM 396 CG1 ILE A 24 20.544 -10.933 -4.296 1.00 0.52 C ATOM 397 CG2 ILE A 24 20.802 -9.054 -2.658 1.00 0.48 C ATOM 398 CD1 ILE A 24 20.809 -10.049 -5.520 1.00 0.89 C ATOM 0 H ILE A 24 18.019 -11.772 -3.483 1.00 0.39 H new ATOM 0 HA ILE A 24 20.301 -11.650 -1.752 1.00 0.39 H new ATOM 0 HB ILE A 24 18.963 -9.632 -3.610 1.00 0.44 H new ATOM 0 HG12 ILE A 24 21.484 -11.336 -3.919 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.924 -11.783 -4.579 1.00 0.52 H new ATOM 0 HG21 ILE A 24 21.094 -8.384 -3.466 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.305 -8.483 -1.874 1.00 0.48 H new ATOM 0 HG23 ILE A 24 21.690 -9.536 -2.248 1.00 0.48 H new ATOM 0 HD11 ILE A 24 21.305 -10.637 -6.293 1.00 0.89 H new ATOM 0 HD12 ILE A 24 19.863 -9.667 -5.905 1.00 0.89 H new ATOM 0 HD13 ILE A 24 21.448 -9.213 -5.234 1.00 0.89 H new ATOM 410 N LEU A 25 17.726 -9.748 -0.936 1.00 0.34 N ATOM 411 CA LEU A 25 17.188 -8.958 0.208 1.00 0.34 C ATOM 412 C LEU A 25 17.040 -9.875 1.425 1.00 0.32 C ATOM 413 O LEU A 25 17.192 -9.453 2.554 1.00 0.34 O ATOM 414 CB LEU A 25 15.822 -8.372 -0.165 1.00 0.36 C ATOM 415 CG LEU A 25 15.967 -7.413 -1.356 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.577 -7.078 -1.905 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.672 -6.115 -0.920 1.00 0.41 C ATOM 0 H LEU A 25 17.097 -9.847 -1.733 1.00 0.34 H new ATOM 0 HA LEU A 25 17.873 -8.143 0.444 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.129 -9.175 -0.417 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.399 -7.843 0.689 1.00 0.36 H new ATOM 0 HG LEU A 25 16.567 -7.895 -2.128 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.674 -6.397 -2.751 1.00 0.44 H new ATOM 0 HD12 LEU A 25 14.084 -7.994 -2.231 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.982 -6.604 -1.124 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.766 -5.447 -1.776 1.00 0.41 H new ATOM 0 HD22 LEU A 25 16.086 -5.627 -0.141 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.663 -6.352 -0.533 1.00 0.41 H new ATOM 429 N ARG A 26 16.752 -11.130 1.204 1.00 0.31 N ATOM 430 CA ARG A 26 16.605 -12.076 2.348 1.00 0.33 C ATOM 431 C ARG A 26 17.999 -12.460 2.856 1.00 0.31 C ATOM 432 O ARG A 26 18.220 -12.622 4.040 1.00 0.32 O ATOM 433 CB ARG A 26 15.851 -13.335 1.883 1.00 0.38 C ATOM 434 CG ARG A 26 15.228 -14.053 3.096 1.00 0.69 C ATOM 435 CD ARG A 26 15.017 -15.541 2.787 1.00 1.00 C ATOM 436 NE ARG A 26 14.570 -15.720 1.366 1.00 1.36 N ATOM 437 CZ ARG A 26 13.521 -15.100 0.895 1.00 1.86 C ATOM 438 NH1 ARG A 26 12.734 -14.429 1.690 1.00 2.36 N ATOM 439 NH2 ARG A 26 13.230 -15.198 -0.373 1.00 2.46 N ATOM 0 H ARG A 26 16.612 -11.541 0.281 1.00 0.31 H new ATOM 0 HA ARG A 26 16.040 -11.603 3.151 1.00 0.33 H new ATOM 0 HB2 ARG A 26 15.071 -13.061 1.172 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.534 -14.007 1.363 1.00 0.38 H new ATOM 0 HG2 ARG A 26 15.878 -13.944 3.964 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.275 -13.589 3.351 1.00 0.69 H new ATOM 0 HD2 ARG A 26 15.944 -16.089 2.956 1.00 1.00 H new ATOM 0 HD3 ARG A 26 14.272 -15.958 3.465 1.00 1.00 H new ATOM 0 HE ARG A 26 15.098 -16.341 0.753 1.00 1.36 H new ATOM 0 HH11 ARG A 26 12.935 -14.385 2.689 1.00 2.36 H new ATOM 0 HH12 ARG A 26 11.917 -13.948 1.313 1.00 2.36 H new ATOM 0 HH21 ARG A 26 13.820 -15.756 -0.990 1.00 2.46 H new ATOM 0 HH22 ARG A 26 12.412 -14.717 -0.747 1.00 2.46 H new ATOM 453 N GLN A 27 18.943 -12.583 1.964 1.00 0.31 N ATOM 454 CA GLN A 27 20.334 -12.929 2.369 1.00 0.32 C ATOM 455 C GLN A 27 20.899 -11.816 3.251 1.00 0.31 C ATOM 456 O GLN A 27 21.514 -12.063 4.270 1.00 0.33 O ATOM 457 CB GLN A 27 21.194 -13.037 1.105 1.00 0.33 C ATOM 458 CG GLN A 27 22.574 -13.600 1.463 1.00 0.99 C ATOM 459 CD GLN A 27 22.443 -15.070 1.872 1.00 1.48 C ATOM 460 OE1 GLN A 27 21.444 -15.703 1.595 1.00 2.02 O ATOM 461 NE2 GLN A 27 23.417 -15.642 2.526 1.00 2.23 N ATOM 0 H GLN A 27 18.808 -12.457 0.961 1.00 0.31 H new ATOM 0 HA GLN A 27 20.337 -13.870 2.918 1.00 0.32 H new ATOM 0 HB2 GLN A 27 20.705 -13.683 0.376 1.00 0.33 H new ATOM 0 HB3 GLN A 27 21.300 -12.056 0.641 1.00 0.33 H new ATOM 0 HG2 GLN A 27 23.247 -13.509 0.610 1.00 0.99 H new ATOM 0 HG3 GLN A 27 23.012 -13.024 2.278 1.00 0.99 H new ATOM 0 HE21 GLN A 27 24.256 -15.111 2.759 1.00 2.23 H new ATOM 0 HE22 GLN A 27 23.339 -16.620 2.804 1.00 2.23 H new ATOM 470 N GLN A 28 20.695 -10.588 2.858 1.00 0.30 N ATOM 471 CA GLN A 28 21.218 -9.444 3.657 1.00 0.31 C ATOM 472 C GLN A 28 20.446 -9.348 4.972 1.00 0.30 C ATOM 473 O GLN A 28 20.972 -8.927 5.983 1.00 0.34 O ATOM 474 CB GLN A 28 21.036 -8.151 2.859 1.00 0.33 C ATOM 475 CG GLN A 28 21.843 -7.027 3.510 1.00 1.10 C ATOM 476 CD GLN A 28 21.735 -5.763 2.655 1.00 1.61 C ATOM 477 OE1 GLN A 28 21.086 -4.810 3.038 1.00 2.28 O ATOM 478 NE2 GLN A 28 22.346 -5.715 1.503 1.00 2.28 N ATOM 0 H GLN A 28 20.186 -10.327 2.013 1.00 0.30 H new ATOM 0 HA GLN A 28 22.276 -9.596 3.871 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.363 -8.298 1.830 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.981 -7.880 2.822 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.470 -6.832 4.516 1.00 1.10 H new ATOM 0 HG3 GLN A 28 22.887 -7.324 3.609 1.00 1.10 H new ATOM 0 HE21 GLN A 28 22.891 -6.515 1.181 1.00 2.28 H new ATOM 0 HE22 GLN A 28 22.279 -4.878 0.924 1.00 2.28 H new ATOM 487 N VAL A 29 19.203 -9.740 4.966 1.00 0.27 N ATOM 488 CA VAL A 29 18.405 -9.672 6.221 1.00 0.28 C ATOM 489 C VAL A 29 18.809 -10.834 7.135 1.00 0.30 C ATOM 490 O VAL A 29 19.112 -10.647 8.297 1.00 0.33 O ATOM 491 CB VAL A 29 16.912 -9.757 5.873 1.00 0.27 C ATOM 492 CG1 VAL A 29 16.085 -10.071 7.132 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.463 -8.418 5.280 1.00 0.27 C ATOM 0 H VAL A 29 18.707 -10.103 4.151 1.00 0.27 H new ATOM 0 HA VAL A 29 18.594 -8.732 6.739 1.00 0.28 H new ATOM 0 HB VAL A 29 16.756 -10.556 5.148 1.00 0.27 H new ATOM 0 HG11 VAL A 29 15.029 -10.128 6.869 1.00 0.30 H new ATOM 0 HG12 VAL A 29 16.407 -11.025 7.550 1.00 0.30 H new ATOM 0 HG13 VAL A 29 16.233 -9.283 7.870 1.00 0.30 H new ATOM 0 HG21 VAL A 29 15.403 -8.468 5.029 1.00 0.27 H new ATOM 0 HG22 VAL A 29 16.626 -7.624 6.009 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.039 -8.207 4.379 1.00 0.27 H new ATOM 503 N VAL A 30 18.810 -12.029 6.619 1.00 0.31 N ATOM 504 CA VAL A 30 19.187 -13.205 7.449 1.00 0.35 C ATOM 505 C VAL A 30 20.660 -13.113 7.848 1.00 0.37 C ATOM 506 O VAL A 30 21.027 -13.378 8.975 1.00 0.42 O ATOM 507 CB VAL A 30 18.973 -14.471 6.626 1.00 0.35 C ATOM 508 CG1 VAL A 30 19.388 -15.694 7.441 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.497 -14.585 6.241 1.00 0.35 C ATOM 0 H VAL A 30 18.565 -12.243 5.652 1.00 0.31 H new ATOM 0 HA VAL A 30 18.573 -13.227 8.350 1.00 0.35 H new ATOM 0 HB VAL A 30 19.581 -14.421 5.723 1.00 0.35 H new ATOM 0 HG11 VAL A 30 19.233 -16.596 6.849 1.00 0.40 H new ATOM 0 HG12 VAL A 30 20.441 -15.612 7.709 1.00 0.40 H new ATOM 0 HG13 VAL A 30 18.786 -15.748 8.348 1.00 0.40 H new ATOM 0 HG21 VAL A 30 17.343 -15.490 5.653 1.00 0.35 H new ATOM 0 HG22 VAL A 30 16.888 -14.631 7.144 1.00 0.35 H new ATOM 0 HG23 VAL A 30 17.206 -13.715 5.652 1.00 0.35 H new ATOM 519 N SER A 31 21.509 -12.757 6.925 1.00 0.36 N ATOM 520 CA SER A 31 22.962 -12.669 7.247 1.00 0.39 C ATOM 521 C SER A 31 23.175 -11.770 8.469 1.00 0.42 C ATOM 522 O SER A 31 24.088 -11.974 9.244 1.00 0.47 O ATOM 523 CB SER A 31 23.722 -12.100 6.049 1.00 0.38 C ATOM 524 OG SER A 31 23.234 -10.796 5.760 1.00 1.36 O ATOM 0 H SER A 31 21.261 -12.523 5.963 1.00 0.36 H new ATOM 0 HA SER A 31 23.337 -13.667 7.471 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.790 -12.062 6.266 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.596 -12.749 5.182 1.00 0.38 H new ATOM 0 HG SER A 31 22.355 -10.863 5.332 1.00 1.36 H new ATOM 530 N GLU A 32 22.348 -10.774 8.649 1.00 0.42 N ATOM 531 CA GLU A 32 22.521 -9.871 9.824 1.00 0.47 C ATOM 532 C GLU A 32 21.888 -10.511 11.062 1.00 0.49 C ATOM 533 O GLU A 32 22.069 -10.045 12.169 1.00 0.54 O ATOM 534 CB GLU A 32 21.848 -8.527 9.541 1.00 0.48 C ATOM 535 CG GLU A 32 22.574 -7.825 8.391 1.00 0.79 C ATOM 536 CD GLU A 32 21.764 -6.607 7.942 1.00 1.50 C ATOM 537 OE1 GLU A 32 20.775 -6.799 7.254 1.00 2.23 O ATOM 538 OE2 GLU A 32 22.147 -5.504 8.294 1.00 2.22 O ATOM 0 H GLU A 32 21.564 -10.548 8.037 1.00 0.42 H new ATOM 0 HA GLU A 32 23.584 -9.712 10.004 1.00 0.47 H new ATOM 0 HB2 GLU A 32 20.800 -8.680 9.284 1.00 0.48 H new ATOM 0 HB3 GLU A 32 21.869 -7.902 10.434 1.00 0.48 H new ATOM 0 HG2 GLU A 32 23.569 -7.515 8.711 1.00 0.79 H new ATOM 0 HG3 GLU A 32 22.707 -8.514 7.557 1.00 0.79 H new ATOM 545 N GLY A 33 21.150 -11.579 10.881 1.00 0.47 N ATOM 546 CA GLY A 33 20.497 -12.270 12.041 1.00 0.50 C ATOM 547 C GLY A 33 19.005 -12.443 11.751 1.00 0.50 C ATOM 548 O GLY A 33 18.313 -13.175 12.427 1.00 0.66 O ATOM 0 H GLY A 33 20.970 -12.006 9.973 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.962 -13.242 12.209 1.00 0.50 H new ATOM 0 HA3 GLY A 33 20.637 -11.688 12.952 1.00 0.50 H new ATOM 552 N GLY A 34 18.509 -11.769 10.746 1.00 0.43 N ATOM 553 CA GLY A 34 17.059 -11.879 10.398 1.00 0.43 C ATOM 554 C GLY A 34 16.285 -10.713 11.057 1.00 0.43 C ATOM 555 O GLY A 34 16.473 -9.582 10.654 1.00 0.41 O ATOM 0 H GLY A 34 19.048 -11.143 10.148 1.00 0.43 H new ATOM 0 HA2 GLY A 34 16.930 -11.851 9.316 1.00 0.43 H new ATOM 0 HA3 GLY A 34 16.662 -12.834 10.742 1.00 0.43 H new ATOM 559 N PRO A 35 15.440 -10.979 12.047 1.00 0.47 N ATOM 560 CA PRO A 35 14.687 -9.891 12.705 1.00 0.51 C ATOM 561 C PRO A 35 15.655 -8.838 13.264 1.00 0.52 C ATOM 562 O PRO A 35 15.398 -7.652 13.212 1.00 0.64 O ATOM 563 CB PRO A 35 13.894 -10.581 13.845 1.00 0.57 C ATOM 564 CG PRO A 35 14.181 -12.107 13.758 1.00 0.58 C ATOM 565 CD PRO A 35 15.164 -12.332 12.589 1.00 0.52 C ATOM 0 HA PRO A 35 14.024 -9.368 12.015 1.00 0.51 H new ATOM 0 HB2 PRO A 35 14.198 -10.189 14.815 1.00 0.57 H new ATOM 0 HB3 PRO A 35 12.827 -10.385 13.742 1.00 0.57 H new ATOM 0 HG2 PRO A 35 14.608 -12.470 14.693 1.00 0.58 H new ATOM 0 HG3 PRO A 35 13.257 -12.661 13.593 1.00 0.58 H new ATOM 0 HD2 PRO A 35 16.080 -12.813 12.932 1.00 0.52 H new ATOM 0 HD3 PRO A 35 14.729 -12.980 11.828 1.00 0.52 H new ATOM 573 N THR A 36 16.760 -9.269 13.810 1.00 0.50 N ATOM 574 CA THR A 36 17.738 -8.304 14.386 1.00 0.50 C ATOM 575 C THR A 36 18.455 -7.543 13.268 1.00 0.48 C ATOM 576 O THR A 36 19.380 -6.795 13.514 1.00 0.48 O ATOM 577 CB THR A 36 18.769 -9.067 15.221 1.00 0.51 C ATOM 578 OG1 THR A 36 19.671 -9.741 14.355 1.00 0.69 O ATOM 579 CG2 THR A 36 18.054 -10.085 16.111 1.00 0.80 C ATOM 0 H THR A 36 17.028 -10.251 13.882 1.00 0.50 H new ATOM 0 HA THR A 36 17.204 -7.591 15.014 1.00 0.50 H new ATOM 0 HB THR A 36 19.322 -8.367 15.847 1.00 0.51 H new ATOM 0 HG1 THR A 36 20.333 -10.229 14.888 1.00 0.69 H new ATOM 0 HG21 THR A 36 18.789 -10.628 16.705 1.00 0.80 H new ATOM 0 HG22 THR A 36 17.363 -9.566 16.775 1.00 0.80 H new ATOM 0 HG23 THR A 36 17.500 -10.788 15.488 1.00 0.80 H new ATOM 587 N ALA A 37 18.040 -7.719 12.044 1.00 0.48 N ATOM 588 CA ALA A 37 18.710 -6.992 10.929 1.00 0.48 C ATOM 589 C ALA A 37 18.386 -5.500 11.036 1.00 0.55 C ATOM 590 O ALA A 37 17.403 -5.112 11.636 1.00 1.10 O ATOM 591 CB ALA A 37 18.211 -7.536 9.589 1.00 0.42 C ATOM 0 H ALA A 37 17.271 -8.330 11.769 1.00 0.48 H new ATOM 0 HA ALA A 37 19.789 -7.136 10.992 1.00 0.48 H new ATOM 0 HB1 ALA A 37 18.702 -7.003 8.775 1.00 0.42 H new ATOM 0 HB2 ALA A 37 18.442 -8.599 9.519 1.00 0.42 H new ATOM 0 HB3 ALA A 37 17.133 -7.394 9.517 1.00 0.42 H new ATOM 597 N THR A 38 19.201 -4.657 10.462 1.00 0.45 N ATOM 598 CA THR A 38 18.930 -3.192 10.539 1.00 0.46 C ATOM 599 C THR A 38 17.520 -2.911 10.024 1.00 0.40 C ATOM 600 O THR A 38 16.923 -3.726 9.349 1.00 0.36 O ATOM 601 CB THR A 38 19.946 -2.435 9.680 1.00 0.48 C ATOM 602 OG1 THR A 38 19.825 -2.853 8.327 1.00 0.66 O ATOM 603 CG2 THR A 38 21.360 -2.725 10.182 1.00 0.66 C ATOM 0 H THR A 38 20.040 -4.918 9.944 1.00 0.45 H new ATOM 0 HA THR A 38 19.015 -2.861 11.574 1.00 0.46 H new ATOM 0 HB THR A 38 19.753 -1.364 9.748 1.00 0.48 H new ATOM 0 HG1 THR A 38 20.041 -3.806 8.259 1.00 0.66 H new ATOM 0 HG21 THR A 38 22.082 -2.185 9.569 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.451 -2.402 11.219 1.00 0.66 H new ATOM 0 HG23 THR A 38 21.557 -3.795 10.117 1.00 0.66 H new ATOM 611 N ILE A 39 16.978 -1.765 10.332 1.00 0.47 N ATOM 612 CA ILE A 39 15.606 -1.439 9.855 1.00 0.45 C ATOM 613 C ILE A 39 15.622 -1.267 8.334 1.00 0.40 C ATOM 614 O ILE A 39 14.726 -1.706 7.640 1.00 0.38 O ATOM 615 CB ILE A 39 15.138 -0.139 10.520 1.00 0.55 C ATOM 616 CG1 ILE A 39 14.901 -0.392 12.012 1.00 0.73 C ATOM 617 CG2 ILE A 39 13.835 0.336 9.871 1.00 0.53 C ATOM 618 CD1 ILE A 39 14.729 0.945 12.736 1.00 0.73 C ATOM 0 H ILE A 39 17.426 -1.041 10.893 1.00 0.47 H new ATOM 0 HA ILE A 39 14.923 -2.247 10.116 1.00 0.45 H new ATOM 0 HB ILE A 39 15.902 0.628 10.393 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.013 -1.009 12.150 1.00 0.73 H new ATOM 0 HG13 ILE A 39 15.741 -0.942 12.436 1.00 0.73 H new ATOM 0 HG21 ILE A 39 13.507 1.260 10.347 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.002 0.515 8.809 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.067 -0.428 9.994 1.00 0.53 H new ATOM 0 HD11 ILE A 39 14.560 0.765 13.798 1.00 0.73 H new ATOM 0 HD12 ILE A 39 15.629 1.546 12.609 1.00 0.73 H new ATOM 0 HD13 ILE A 39 13.875 1.478 12.318 1.00 0.73 H new ATOM 630 N GLN A 40 16.632 -0.630 7.810 1.00 0.42 N ATOM 631 CA GLN A 40 16.702 -0.430 6.336 1.00 0.43 C ATOM 632 C GLN A 40 16.694 -1.790 5.638 1.00 0.35 C ATOM 633 O GLN A 40 16.243 -1.923 4.518 1.00 0.37 O ATOM 634 CB GLN A 40 17.990 0.316 5.981 1.00 0.53 C ATOM 635 CG GLN A 40 18.059 1.622 6.774 1.00 1.38 C ATOM 636 CD GLN A 40 19.273 2.433 6.317 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.320 3.634 6.498 1.00 2.54 O ATOM 638 NE2 GLN A 40 20.266 1.824 5.729 1.00 2.43 N ATOM 0 H GLN A 40 17.412 -0.239 8.339 1.00 0.42 H new ATOM 0 HA GLN A 40 15.842 0.154 6.008 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.857 -0.305 6.207 1.00 0.53 H new ATOM 0 HB3 GLN A 40 18.018 0.526 4.912 1.00 0.53 H new ATOM 0 HG2 GLN A 40 17.146 2.199 6.625 1.00 1.38 H new ATOM 0 HG3 GLN A 40 18.131 1.409 7.841 1.00 1.38 H new ATOM 0 HE21 GLN A 40 20.228 0.816 5.577 1.00 2.43 H new ATOM 0 HE22 GLN A 40 21.080 2.356 5.422 1.00 2.43 H new ATOM 647 N SER A 41 17.192 -2.802 6.292 1.00 0.31 N ATOM 648 CA SER A 41 17.214 -4.155 5.668 1.00 0.28 C ATOM 649 C SER A 41 15.804 -4.743 5.685 1.00 0.24 C ATOM 650 O SER A 41 15.355 -5.336 4.724 1.00 0.25 O ATOM 651 CB SER A 41 18.161 -5.069 6.448 1.00 0.29 C ATOM 652 OG SER A 41 19.420 -4.425 6.596 1.00 1.32 O ATOM 0 H SER A 41 17.585 -2.751 7.232 1.00 0.31 H new ATOM 0 HA SER A 41 17.563 -4.074 4.639 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.740 -5.298 7.427 1.00 0.29 H new ATOM 0 HB3 SER A 41 18.284 -6.017 5.924 1.00 0.29 H new ATOM 0 HG SER A 41 19.286 -3.524 6.957 1.00 1.32 H new ATOM 658 N ARG A 42 15.100 -4.578 6.770 1.00 0.22 N ATOM 659 CA ARG A 42 13.717 -5.122 6.851 1.00 0.21 C ATOM 660 C ARG A 42 12.803 -4.276 5.958 1.00 0.20 C ATOM 661 O ARG A 42 11.926 -4.783 5.287 1.00 0.20 O ATOM 662 CB ARG A 42 13.237 -5.063 8.319 1.00 0.24 C ATOM 663 CG ARG A 42 12.359 -6.288 8.652 1.00 0.52 C ATOM 664 CD ARG A 42 13.245 -7.491 9.023 1.00 0.82 C ATOM 665 NE ARG A 42 12.564 -8.765 8.629 1.00 1.50 N ATOM 666 CZ ARG A 42 11.325 -9.006 8.966 1.00 1.92 C ATOM 667 NH1 ARG A 42 10.700 -8.223 9.802 1.00 1.83 N ATOM 668 NH2 ARG A 42 10.726 -10.071 8.507 1.00 2.91 N ATOM 0 H ARG A 42 15.424 -4.089 7.605 1.00 0.22 H new ATOM 0 HA ARG A 42 13.693 -6.158 6.512 1.00 0.21 H new ATOM 0 HB2 ARG A 42 14.097 -5.032 8.988 1.00 0.24 H new ATOM 0 HB3 ARG A 42 12.671 -4.147 8.486 1.00 0.24 H new ATOM 0 HG2 ARG A 42 11.690 -6.051 9.479 1.00 0.52 H new ATOM 0 HG3 ARG A 42 11.732 -6.539 7.796 1.00 0.52 H new ATOM 0 HD2 ARG A 42 14.209 -7.413 8.520 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.444 -7.491 10.095 1.00 0.82 H new ATOM 0 HE ARG A 42 13.078 -9.459 8.086 1.00 1.50 H new ATOM 0 HH11 ARG A 42 11.179 -7.414 10.199 1.00 1.83 H new ATOM 0 HH12 ARG A 42 9.733 -8.420 10.059 1.00 1.83 H new ATOM 0 HH21 ARG A 42 11.225 -10.710 7.888 1.00 2.91 H new ATOM 0 HH22 ARG A 42 9.759 -10.264 8.767 1.00 2.91 H new ATOM 682 N PHE A 43 13.002 -2.985 5.958 1.00 0.22 N ATOM 683 CA PHE A 43 12.147 -2.094 5.126 1.00 0.24 C ATOM 684 C PHE A 43 12.243 -2.493 3.652 1.00 0.23 C ATOM 685 O PHE A 43 11.243 -2.611 2.972 1.00 0.23 O ATOM 686 CB PHE A 43 12.608 -0.645 5.289 1.00 0.28 C ATOM 687 CG PHE A 43 11.600 0.275 4.641 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.465 0.680 5.353 1.00 1.40 C ATOM 689 CD2 PHE A 43 11.799 0.720 3.329 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.529 1.531 4.753 1.00 1.48 C ATOM 691 CE2 PHE A 43 10.863 1.570 2.729 1.00 1.22 C ATOM 692 CZ PHE A 43 9.728 1.976 3.441 1.00 0.70 C ATOM 0 H PHE A 43 13.723 -2.509 6.501 1.00 0.22 H new ATOM 0 HA PHE A 43 11.112 -2.191 5.455 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.713 -0.401 6.346 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.588 -0.509 4.832 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.311 0.336 6.365 1.00 1.40 H new ATOM 0 HD2 PHE A 43 12.675 0.407 2.780 1.00 1.18 H new ATOM 0 HE1 PHE A 43 8.654 1.844 5.303 1.00 1.48 H new ATOM 0 HE2 PHE A 43 11.016 1.913 1.716 1.00 1.22 H new ATOM 0 HZ PHE A 43 9.006 2.632 2.978 1.00 0.70 H new ATOM 702 N ASN A 44 13.428 -2.700 3.139 1.00 0.24 N ATOM 703 CA ASN A 44 13.554 -3.084 1.705 1.00 0.24 C ATOM 704 C ASN A 44 12.914 -4.454 1.484 1.00 0.22 C ATOM 705 O ASN A 44 12.337 -4.721 0.448 1.00 0.23 O ATOM 706 CB ASN A 44 15.037 -3.147 1.326 1.00 0.25 C ATOM 707 CG ASN A 44 15.691 -1.789 1.594 1.00 0.95 C ATOM 708 OD1 ASN A 44 15.150 -0.973 2.313 1.00 1.73 O ATOM 709 ND2 ASN A 44 16.842 -1.512 1.044 1.00 1.67 N ATOM 0 H ASN A 44 14.308 -2.620 3.649 1.00 0.24 H new ATOM 0 HA ASN A 44 13.048 -2.344 1.084 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.538 -3.924 1.903 1.00 0.25 H new ATOM 0 HB3 ASN A 44 15.143 -3.413 0.274 1.00 0.25 H new ATOM 0 HD21 ASN A 44 17.287 -0.611 1.218 1.00 1.67 H new ATOM 0 HD22 ASN A 44 17.297 -2.197 0.440 1.00 1.67 H new ATOM 716 N TYR A 45 13.007 -5.326 2.449 1.00 0.21 N ATOM 717 CA TYR A 45 12.399 -6.676 2.291 1.00 0.20 C ATOM 718 C TYR A 45 10.898 -6.521 2.054 1.00 0.21 C ATOM 719 O TYR A 45 10.296 -7.260 1.299 1.00 0.22 O ATOM 720 CB TYR A 45 12.632 -7.493 3.562 1.00 0.20 C ATOM 721 CG TYR A 45 12.183 -8.920 3.335 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.866 -9.727 2.417 1.00 1.33 C ATOM 723 CD2 TYR A 45 11.087 -9.438 4.040 1.00 1.12 C ATOM 724 CE1 TYR A 45 12.456 -11.048 2.203 1.00 1.43 C ATOM 725 CE2 TYR A 45 10.677 -10.759 3.825 1.00 1.05 C ATOM 726 CZ TYR A 45 11.361 -11.564 2.906 1.00 0.43 C ATOM 727 OH TYR A 45 10.957 -12.866 2.695 1.00 0.57 O ATOM 0 H TYR A 45 13.477 -5.162 3.339 1.00 0.21 H new ATOM 0 HA TYR A 45 12.856 -7.189 1.444 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.688 -7.472 3.832 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.081 -7.055 4.394 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.710 -9.330 1.873 1.00 1.33 H new ATOM 0 HD2 TYR A 45 10.559 -8.818 4.749 1.00 1.12 H new ATOM 0 HE1 TYR A 45 12.985 -11.669 1.495 1.00 1.43 H new ATOM 0 HE2 TYR A 45 9.833 -11.157 4.368 1.00 1.05 H new ATOM 0 HH TYR A 45 10.184 -13.065 3.263 1.00 0.57 H new ATOM 737 N ALA A 46 10.290 -5.562 2.694 1.00 0.22 N ATOM 738 CA ALA A 46 8.829 -5.355 2.508 1.00 0.24 C ATOM 739 C ALA A 46 8.568 -4.767 1.123 1.00 0.25 C ATOM 740 O ALA A 46 7.548 -5.016 0.520 1.00 0.28 O ATOM 741 CB ALA A 46 8.311 -4.390 3.576 1.00 0.26 C ATOM 0 H ALA A 46 10.742 -4.913 3.338 1.00 0.22 H new ATOM 0 HA ALA A 46 8.313 -6.311 2.599 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.240 -4.238 3.440 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.495 -4.809 4.565 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.828 -3.435 3.485 1.00 0.26 H new ATOM 747 N TRP A 47 9.478 -3.983 0.613 1.00 0.26 N ATOM 748 CA TRP A 47 9.260 -3.377 -0.731 1.00 0.29 C ATOM 749 C TRP A 47 9.170 -4.478 -1.793 1.00 0.29 C ATOM 750 O TRP A 47 8.265 -4.490 -2.603 1.00 0.29 O ATOM 751 CB TRP A 47 10.418 -2.426 -1.053 1.00 0.33 C ATOM 752 CG TRP A 47 10.240 -1.841 -2.421 1.00 0.34 C ATOM 753 CD1 TRP A 47 11.102 -2.013 -3.449 1.00 0.38 C ATOM 754 CD2 TRP A 47 9.164 -0.992 -2.928 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.626 -1.331 -4.553 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.433 -0.689 -4.285 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.991 -0.464 -2.353 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.570 0.107 -5.044 1.00 0.42 C ATOM 759 CZ3 TRP A 47 7.124 0.337 -3.114 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.412 0.620 -4.456 1.00 0.44 C ATOM 0 H TRP A 47 10.358 -3.737 1.066 1.00 0.26 H new ATOM 0 HA TRP A 47 8.325 -2.817 -0.730 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.461 -1.629 -0.311 1.00 0.33 H new ATOM 0 HB3 TRP A 47 11.365 -2.963 -0.999 1.00 0.33 H new ATOM 0 HD1 TRP A 47 12.014 -2.590 -3.413 1.00 0.38 H new ATOM 0 HE1 TRP A 47 11.099 -1.305 -5.456 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.757 -0.677 -1.320 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.797 0.324 -6.077 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 6.229 0.738 -2.662 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.739 1.235 -5.035 1.00 0.44 H new ATOM 771 N GLY A 48 10.098 -5.398 -1.813 1.00 0.29 N ATOM 772 CA GLY A 48 10.045 -6.478 -2.840 1.00 0.30 C ATOM 773 C GLY A 48 8.730 -7.245 -2.713 1.00 0.27 C ATOM 774 O GLY A 48 8.114 -7.610 -3.695 1.00 0.29 O ATOM 0 H GLY A 48 10.886 -5.448 -1.167 1.00 0.29 H new ATOM 0 HA2 GLY A 48 10.132 -6.049 -3.838 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.887 -7.157 -2.711 1.00 0.30 H new ATOM 778 N LEU A 49 8.295 -7.493 -1.510 1.00 0.25 N ATOM 779 CA LEU A 49 7.021 -8.238 -1.313 1.00 0.24 C ATOM 780 C LEU A 49 5.851 -7.417 -1.862 1.00 0.24 C ATOM 781 O LEU A 49 4.832 -7.956 -2.248 1.00 0.29 O ATOM 782 CB LEU A 49 6.821 -8.499 0.183 1.00 0.23 C ATOM 783 CG LEU A 49 7.902 -9.469 0.688 1.00 0.23 C ATOM 784 CD1 LEU A 49 7.891 -9.495 2.224 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.647 -10.892 0.143 1.00 0.26 C ATOM 0 H LEU A 49 8.768 -7.211 -0.652 1.00 0.25 H new ATOM 0 HA LEU A 49 7.064 -9.188 -1.846 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.873 -7.561 0.736 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.831 -8.919 0.360 1.00 0.23 H new ATOM 0 HG LEU A 49 8.875 -9.128 0.334 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.657 -10.183 2.582 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.094 -8.495 2.606 1.00 0.24 H new ATOM 0 HD13 LEU A 49 6.914 -9.826 2.575 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.421 -11.566 0.510 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.671 -11.242 0.481 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.668 -10.874 -0.947 1.00 0.26 H new ATOM 797 N ILE A 50 5.983 -6.120 -1.900 1.00 0.24 N ATOM 798 CA ILE A 50 4.870 -5.275 -2.424 1.00 0.26 C ATOM 799 C ILE A 50 4.792 -5.413 -3.950 1.00 0.27 C ATOM 800 O ILE A 50 3.722 -5.382 -4.525 1.00 0.29 O ATOM 801 CB ILE A 50 5.121 -3.808 -2.045 1.00 0.28 C ATOM 802 CG1 ILE A 50 5.014 -3.636 -0.508 1.00 0.32 C ATOM 803 CG2 ILE A 50 4.101 -2.906 -2.755 1.00 0.32 C ATOM 804 CD1 ILE A 50 3.566 -3.362 -0.080 1.00 0.73 C ATOM 0 H ILE A 50 6.810 -5.609 -1.592 1.00 0.24 H new ATOM 0 HA ILE A 50 3.927 -5.604 -1.988 1.00 0.26 H new ATOM 0 HB ILE A 50 6.124 -3.521 -2.361 1.00 0.28 H new ATOM 0 HG12 ILE A 50 5.378 -4.536 -0.012 1.00 0.32 H new ATOM 0 HG13 ILE A 50 5.653 -2.814 -0.186 1.00 0.32 H new ATOM 0 HG21 ILE A 50 4.283 -1.866 -2.483 1.00 0.32 H new ATOM 0 HG22 ILE A 50 4.202 -3.022 -3.834 1.00 0.32 H new ATOM 0 HG23 ILE A 50 3.093 -3.189 -2.453 1.00 0.32 H new ATOM 0 HD11 ILE A 50 3.522 -3.246 1.003 1.00 0.73 H new ATOM 0 HD12 ILE A 50 3.212 -2.448 -0.557 1.00 0.73 H new ATOM 0 HD13 ILE A 50 2.933 -4.197 -0.381 1.00 0.73 H new ATOM 816 N LYS A 51 5.908 -5.566 -4.617 1.00 0.28 N ATOM 817 CA LYS A 51 5.880 -5.703 -6.104 1.00 0.31 C ATOM 818 C LYS A 51 5.430 -7.113 -6.488 1.00 0.31 C ATOM 819 O LYS A 51 5.139 -7.390 -7.635 1.00 0.36 O ATOM 820 CB LYS A 51 7.288 -5.451 -6.654 1.00 0.37 C ATOM 821 CG LYS A 51 7.673 -3.972 -6.438 1.00 0.72 C ATOM 822 CD LYS A 51 9.200 -3.807 -6.379 1.00 0.79 C ATOM 823 CE LYS A 51 9.799 -3.919 -7.783 1.00 0.87 C ATOM 824 NZ LYS A 51 9.575 -2.643 -8.519 1.00 1.58 N ATOM 0 H LYS A 51 6.836 -5.602 -4.196 1.00 0.28 H new ATOM 0 HA LYS A 51 5.181 -4.979 -6.523 1.00 0.31 H new ATOM 0 HB2 LYS A 51 8.006 -6.101 -6.154 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.323 -5.695 -7.716 1.00 0.37 H new ATOM 0 HG2 LYS A 51 7.268 -3.365 -7.248 1.00 0.72 H new ATOM 0 HG3 LYS A 51 7.228 -3.607 -5.512 1.00 0.72 H new ATOM 0 HD2 LYS A 51 9.452 -2.840 -5.944 1.00 0.79 H new ATOM 0 HD3 LYS A 51 9.631 -4.570 -5.730 1.00 0.79 H new ATOM 0 HE2 LYS A 51 10.866 -4.133 -7.719 1.00 0.87 H new ATOM 0 HE3 LYS A 51 9.340 -4.748 -8.321 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 10.268 -2.561 -9.290 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 8.613 -2.635 -8.915 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 9.687 -1.841 -7.866 1.00 1.58 H new ATOM 838 N SER A 52 5.371 -8.007 -5.542 1.00 0.32 N ATOM 839 CA SER A 52 4.939 -9.395 -5.863 1.00 0.34 C ATOM 840 C SER A 52 3.520 -9.364 -6.436 1.00 0.35 C ATOM 841 O SER A 52 2.769 -8.436 -6.210 1.00 0.36 O ATOM 842 CB SER A 52 4.966 -10.239 -4.592 1.00 0.36 C ATOM 843 OG SER A 52 6.316 -10.501 -4.231 1.00 1.14 O ATOM 0 H SER A 52 5.602 -7.838 -4.563 1.00 0.32 H new ATOM 0 HA SER A 52 5.615 -9.831 -6.599 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.456 -9.716 -3.783 1.00 0.36 H new ATOM 0 HB3 SER A 52 4.432 -11.176 -4.752 1.00 0.36 H new ATOM 0 HG SER A 52 6.399 -11.429 -3.928 1.00 1.14 H new ATOM 849 N THR A 53 3.151 -10.367 -7.187 1.00 0.38 N ATOM 850 CA THR A 53 1.785 -10.392 -7.790 1.00 0.41 C ATOM 851 C THR A 53 0.777 -10.990 -6.804 1.00 0.40 C ATOM 852 O THR A 53 -0.372 -10.596 -6.770 1.00 0.52 O ATOM 853 CB THR A 53 1.810 -11.235 -9.065 1.00 0.46 C ATOM 854 OG1 THR A 53 2.421 -12.488 -8.791 1.00 0.51 O ATOM 855 CG2 THR A 53 2.606 -10.501 -10.145 1.00 0.49 C ATOM 0 H THR A 53 3.737 -11.172 -7.410 1.00 0.38 H new ATOM 0 HA THR A 53 1.484 -9.371 -8.026 1.00 0.41 H new ATOM 0 HB THR A 53 0.791 -11.398 -9.415 1.00 0.46 H new ATOM 0 HG1 THR A 53 1.831 -13.022 -8.219 1.00 0.51 H new ATOM 0 HG21 THR A 53 2.624 -11.101 -11.055 1.00 0.49 H new ATOM 0 HG22 THR A 53 2.136 -9.540 -10.354 1.00 0.49 H new ATOM 0 HG23 THR A 53 3.626 -10.338 -9.797 1.00 0.49 H new ATOM 863 N ASP A 54 1.186 -11.935 -6.001 1.00 0.39 N ATOM 864 CA ASP A 54 0.229 -12.540 -5.030 1.00 0.38 C ATOM 865 C ASP A 54 -0.041 -11.551 -3.893 1.00 0.37 C ATOM 866 O ASP A 54 0.788 -10.740 -3.535 1.00 0.36 O ATOM 867 CB ASP A 54 0.790 -13.851 -4.473 1.00 0.38 C ATOM 868 CG ASP A 54 1.196 -14.767 -5.629 1.00 1.31 C ATOM 869 OD1 ASP A 54 0.914 -14.417 -6.763 1.00 2.18 O ATOM 870 OD2 ASP A 54 1.783 -15.802 -5.360 1.00 1.86 O ATOM 0 H ASP A 54 2.133 -12.312 -5.975 1.00 0.39 H new ATOM 0 HA ASP A 54 -0.707 -12.760 -5.543 1.00 0.38 H new ATOM 0 HB2 ASP A 54 1.651 -13.648 -3.836 1.00 0.38 H new ATOM 0 HB3 ASP A 54 0.042 -14.343 -3.851 1.00 0.38 H new ATOM 875 N VAL A 55 -1.218 -11.634 -3.330 1.00 0.37 N ATOM 876 CA VAL A 55 -1.611 -10.727 -2.214 1.00 0.37 C ATOM 877 C VAL A 55 -1.030 -11.237 -0.894 1.00 0.35 C ATOM 878 O VAL A 55 -0.925 -10.512 0.076 1.00 0.35 O ATOM 879 CB VAL A 55 -3.136 -10.679 -2.124 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.674 -12.021 -1.623 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.551 -9.568 -1.160 1.00 0.40 C ATOM 0 H VAL A 55 -1.936 -12.305 -3.603 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.222 -9.727 -2.404 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.548 -10.479 -3.113 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.761 -11.977 -1.562 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.381 -12.811 -2.314 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.264 -12.232 -0.635 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.638 -9.531 -1.094 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.134 -9.768 -0.173 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.177 -8.611 -1.525 1.00 0.40 H new ATOM 891 N ASN A 56 -0.633 -12.473 -0.863 1.00 0.34 N ATOM 892 CA ASN A 56 -0.036 -13.036 0.379 1.00 0.34 C ATOM 893 C ASN A 56 1.211 -12.225 0.735 1.00 0.31 C ATOM 894 O ASN A 56 1.481 -11.939 1.887 1.00 0.31 O ATOM 895 CB ASN A 56 0.358 -14.495 0.136 1.00 0.36 C ATOM 896 CG ASN A 56 -0.902 -15.325 -0.125 1.00 1.34 C ATOM 897 OD1 ASN A 56 -1.624 -15.658 0.794 1.00 2.14 O ATOM 898 ND2 ASN A 56 -1.198 -15.673 -1.347 1.00 2.11 N ATOM 0 H ASN A 56 -0.695 -13.123 -1.647 1.00 0.34 H new ATOM 0 HA ASN A 56 -0.757 -12.988 1.195 1.00 0.34 H new ATOM 0 HB2 ASN A 56 1.035 -14.563 -0.716 1.00 0.36 H new ATOM 0 HB3 ASN A 56 0.893 -14.888 1.001 1.00 0.36 H new ATOM 0 HD21 ASN A 56 -2.036 -16.225 -1.531 1.00 2.11 H new ATOM 0 HD22 ASN A 56 -0.592 -15.393 -2.118 1.00 2.11 H new ATOM 905 N ASP A 57 1.969 -11.850 -0.255 1.00 0.30 N ATOM 906 CA ASP A 57 3.201 -11.057 -0.005 1.00 0.30 C ATOM 907 C ASP A 57 2.826 -9.617 0.368 1.00 0.29 C ATOM 908 O ASP A 57 3.503 -8.973 1.144 1.00 0.28 O ATOM 909 CB ASP A 57 4.050 -11.057 -1.279 1.00 0.33 C ATOM 910 CG ASP A 57 4.760 -12.405 -1.425 1.00 0.42 C ATOM 911 OD1 ASP A 57 4.139 -13.414 -1.133 1.00 1.23 O ATOM 912 OD2 ASP A 57 5.912 -12.406 -1.827 1.00 1.09 O ATOM 0 H ASP A 57 1.785 -12.061 -1.236 1.00 0.30 H new ATOM 0 HA ASP A 57 3.765 -11.497 0.818 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.419 -10.871 -2.148 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.783 -10.251 -1.239 1.00 0.33 H new ATOM 917 N GLU A 58 1.755 -9.106 -0.179 1.00 0.33 N ATOM 918 CA GLU A 58 1.347 -7.707 0.147 1.00 0.36 C ATOM 919 C GLU A 58 0.911 -7.631 1.614 1.00 0.34 C ATOM 920 O GLU A 58 1.190 -6.671 2.304 1.00 0.34 O ATOM 921 CB GLU A 58 0.175 -7.286 -0.754 1.00 0.42 C ATOM 922 CG GLU A 58 0.695 -6.817 -2.118 1.00 0.92 C ATOM 923 CD GLU A 58 1.335 -7.989 -2.863 1.00 1.66 C ATOM 924 OE1 GLU A 58 2.376 -8.449 -2.425 1.00 2.21 O ATOM 925 OE2 GLU A 58 0.773 -8.403 -3.864 1.00 2.45 O ATOM 0 H GLU A 58 1.146 -9.595 -0.836 1.00 0.33 H new ATOM 0 HA GLU A 58 2.191 -7.038 -0.020 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.510 -8.124 -0.887 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -0.390 -6.485 -0.277 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -0.124 -6.405 -2.707 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.425 -6.018 -1.984 1.00 0.92 H new ATOM 932 N ARG A 59 0.231 -8.634 2.096 1.00 0.33 N ATOM 933 CA ARG A 59 -0.216 -8.609 3.516 1.00 0.34 C ATOM 934 C ARG A 59 1.003 -8.713 4.428 1.00 0.30 C ATOM 935 O ARG A 59 1.004 -8.220 5.538 1.00 0.31 O ATOM 936 CB ARG A 59 -1.153 -9.788 3.783 1.00 0.40 C ATOM 937 CG ARG A 59 -2.480 -9.567 3.055 1.00 0.68 C ATOM 938 CD ARG A 59 -3.465 -10.669 3.450 1.00 0.95 C ATOM 939 NE ARG A 59 -3.726 -10.593 4.915 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.726 -11.250 5.437 1.00 2.13 C ATOM 941 NH1 ARG A 59 -5.487 -11.991 4.678 1.00 2.23 N ATOM 942 NH2 ARG A 59 -4.962 -11.170 6.717 1.00 3.12 N ATOM 0 H ARG A 59 -0.034 -9.467 1.570 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.746 -7.677 3.714 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -0.692 -10.716 3.444 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.327 -9.891 4.854 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.889 -8.589 3.310 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -2.322 -9.575 1.977 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -4.397 -10.555 2.896 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -3.058 -11.647 3.192 1.00 0.95 H new ATOM 0 HE ARG A 59 -3.122 -10.027 5.511 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -5.300 -12.057 3.677 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -6.268 -12.504 5.086 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -4.365 -10.594 7.311 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -5.743 -11.683 7.125 1.00 3.12 H new ATOM 956 N LEU A 60 2.049 -9.342 3.966 1.00 0.28 N ATOM 957 CA LEU A 60 3.269 -9.462 4.808 1.00 0.27 C ATOM 958 C LEU A 60 4.012 -8.123 4.792 1.00 0.25 C ATOM 959 O LEU A 60 4.458 -7.636 5.811 1.00 0.26 O ATOM 960 CB LEU A 60 4.168 -10.569 4.243 1.00 0.29 C ATOM 961 CG LEU A 60 5.480 -10.660 5.039 1.00 0.30 C ATOM 962 CD1 LEU A 60 5.184 -10.878 6.532 1.00 0.32 C ATOM 963 CD2 LEU A 60 6.304 -11.836 4.502 1.00 0.34 C ATOM 0 H LEU A 60 2.110 -9.776 3.045 1.00 0.28 H new ATOM 0 HA LEU A 60 2.997 -9.715 5.833 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.645 -11.525 4.282 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.386 -10.368 3.194 1.00 0.29 H new ATOM 0 HG LEU A 60 6.037 -9.730 4.926 1.00 0.30 H new ATOM 0 HD11 LEU A 60 6.122 -10.941 7.084 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.595 -10.043 6.912 1.00 0.32 H new ATOM 0 HD13 LEU A 60 4.625 -11.805 6.661 1.00 0.32 H new ATOM 0 HD21 LEU A 60 7.238 -11.911 5.059 1.00 0.34 H new ATOM 0 HD22 LEU A 60 5.738 -12.760 4.618 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.523 -11.675 3.447 1.00 0.34 H new ATOM 975 N GLY A 61 4.147 -7.525 3.638 1.00 0.22 N ATOM 976 CA GLY A 61 4.858 -6.217 3.551 1.00 0.21 C ATOM 977 C GLY A 61 4.104 -5.166 4.369 1.00 0.20 C ATOM 978 O GLY A 61 4.698 -4.368 5.066 1.00 0.21 O ATOM 0 H GLY A 61 3.795 -7.887 2.752 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.877 -6.320 3.924 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.930 -5.900 2.511 1.00 0.21 H new ATOM 982 N VAL A 62 2.801 -5.160 4.295 1.00 0.20 N ATOM 983 CA VAL A 62 2.018 -4.160 5.075 1.00 0.21 C ATOM 984 C VAL A 62 2.290 -4.383 6.566 1.00 0.22 C ATOM 985 O VAL A 62 2.549 -3.456 7.308 1.00 0.25 O ATOM 986 CB VAL A 62 0.512 -4.334 4.759 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.354 -3.935 5.967 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.134 -3.457 3.555 1.00 0.31 C ATOM 0 H VAL A 62 2.246 -5.803 3.730 1.00 0.20 H new ATOM 0 HA VAL A 62 2.312 -3.145 4.806 1.00 0.21 H new ATOM 0 HB VAL A 62 0.329 -5.384 4.530 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.407 -4.066 5.719 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.101 -4.565 6.820 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.168 -2.891 6.219 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.926 -3.580 3.334 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.337 -2.412 3.788 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.723 -3.756 2.688 1.00 0.31 H new ATOM 998 N LYS A 63 2.224 -5.606 7.006 1.00 0.24 N ATOM 999 CA LYS A 63 2.468 -5.896 8.444 1.00 0.28 C ATOM 1000 C LYS A 63 3.875 -5.432 8.831 1.00 0.26 C ATOM 1001 O LYS A 63 4.096 -4.938 9.919 1.00 0.29 O ATOM 1002 CB LYS A 63 2.325 -7.400 8.673 1.00 0.33 C ATOM 1003 CG LYS A 63 2.180 -7.685 10.170 1.00 0.47 C ATOM 1004 CD LYS A 63 2.379 -9.183 10.434 1.00 0.58 C ATOM 1005 CE LYS A 63 1.457 -10.007 9.526 1.00 1.60 C ATOM 1006 NZ LYS A 63 2.097 -10.177 8.192 1.00 2.36 N ATOM 0 H LYS A 63 2.011 -6.420 6.430 1.00 0.24 H new ATOM 0 HA LYS A 63 1.744 -5.364 9.062 1.00 0.28 H new ATOM 0 HB2 LYS A 63 1.455 -7.778 8.136 1.00 0.33 H new ATOM 0 HB3 LYS A 63 3.196 -7.922 8.277 1.00 0.33 H new ATOM 0 HG2 LYS A 63 2.913 -7.106 10.733 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.194 -7.373 10.515 1.00 0.47 H new ATOM 0 HD2 LYS A 63 3.419 -9.457 10.254 1.00 0.58 H new ATOM 0 HD3 LYS A 63 2.167 -9.407 11.479 1.00 0.58 H new ATOM 0 HE2 LYS A 63 1.263 -10.981 9.975 1.00 1.60 H new ATOM 0 HE3 LYS A 63 0.494 -9.508 9.418 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 1.558 -9.647 7.478 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 3.072 -9.818 8.227 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 2.109 -11.186 7.938 1.00 2.36 H new ATOM 1020 N ILE A 64 4.826 -5.574 7.948 1.00 0.25 N ATOM 1021 CA ILE A 64 6.211 -5.125 8.267 1.00 0.25 C ATOM 1022 C ILE A 64 6.244 -3.594 8.256 1.00 0.22 C ATOM 1023 O ILE A 64 6.754 -2.965 9.161 1.00 0.22 O ATOM 1024 CB ILE A 64 7.180 -5.685 7.216 1.00 0.28 C ATOM 1025 CG1 ILE A 64 7.378 -7.183 7.461 1.00 0.33 C ATOM 1026 CG2 ILE A 64 8.535 -4.976 7.317 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.057 -7.817 6.245 1.00 0.35 C ATOM 0 H ILE A 64 4.704 -5.981 7.021 1.00 0.25 H new ATOM 0 HA ILE A 64 6.511 -5.487 9.250 1.00 0.25 H new ATOM 0 HB ILE A 64 6.763 -5.520 6.223 1.00 0.28 H new ATOM 0 HG12 ILE A 64 7.986 -7.339 8.352 1.00 0.33 H new ATOM 0 HG13 ILE A 64 6.416 -7.662 7.644 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.214 -5.381 6.567 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.400 -3.908 7.146 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.955 -5.134 8.310 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.197 -8.883 6.421 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.432 -7.674 5.364 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.026 -7.346 6.083 1.00 0.35 H new ATOM 1039 N LEU A 65 5.695 -2.995 7.237 1.00 0.20 N ATOM 1040 CA LEU A 65 5.681 -1.508 7.159 1.00 0.19 C ATOM 1041 C LEU A 65 4.942 -0.939 8.370 1.00 0.19 C ATOM 1042 O LEU A 65 5.232 0.149 8.827 1.00 0.20 O ATOM 1043 CB LEU A 65 4.967 -1.062 5.879 1.00 0.22 C ATOM 1044 CG LEU A 65 5.801 -1.441 4.641 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.898 -1.462 3.404 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.928 -0.418 4.418 1.00 0.42 C ATOM 0 H LEU A 65 5.254 -3.473 6.452 1.00 0.20 H new ATOM 0 HA LEU A 65 6.708 -1.142 7.149 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.984 -1.530 5.821 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.806 0.016 5.901 1.00 0.22 H new ATOM 0 HG LEU A 65 6.238 -2.426 4.804 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.488 -1.730 2.527 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.104 -2.195 3.545 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.459 -0.475 3.258 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.508 -0.701 3.539 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.496 0.571 4.265 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.580 -0.398 5.292 1.00 0.42 H new ATOM 1058 N THR A 66 4.003 -1.669 8.912 1.00 0.21 N ATOM 1059 CA THR A 66 3.266 -1.173 10.102 1.00 0.25 C ATOM 1060 C THR A 66 4.093 -1.459 11.357 1.00 0.28 C ATOM 1061 O THR A 66 4.000 -0.762 12.349 1.00 0.31 O ATOM 1062 CB THR A 66 1.923 -1.899 10.193 1.00 0.29 C ATOM 1063 OG1 THR A 66 1.121 -1.550 9.074 1.00 0.43 O ATOM 1064 CG2 THR A 66 1.210 -1.494 11.479 1.00 0.36 C ATOM 0 H THR A 66 3.717 -2.589 8.578 1.00 0.21 H new ATOM 0 HA THR A 66 3.095 -0.100 10.017 1.00 0.25 H new ATOM 0 HB THR A 66 2.091 -2.976 10.198 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.393 -2.083 8.298 1.00 0.43 H new ATOM 0 HG21 THR A 66 0.253 -2.012 11.543 1.00 0.36 H new ATOM 0 HG22 THR A 66 1.826 -1.763 12.337 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.040 -0.417 11.477 1.00 0.36 H new ATOM 1072 N ASP A 67 4.914 -2.474 11.315 1.00 0.29 N ATOM 1073 CA ASP A 67 5.761 -2.796 12.497 1.00 0.34 C ATOM 1074 C ASP A 67 6.909 -1.790 12.560 1.00 0.32 C ATOM 1075 O ASP A 67 7.180 -1.206 13.588 1.00 0.35 O ATOM 1076 CB ASP A 67 6.324 -4.213 12.357 1.00 0.40 C ATOM 1077 CG ASP A 67 7.033 -4.612 13.652 1.00 1.30 C ATOM 1078 OD1 ASP A 67 6.352 -4.777 14.651 1.00 2.12 O ATOM 1079 OD2 ASP A 67 8.246 -4.745 13.624 1.00 1.94 O ATOM 0 H ASP A 67 5.034 -3.093 10.513 1.00 0.29 H new ATOM 0 HA ASP A 67 5.166 -2.741 13.409 1.00 0.34 H new ATOM 0 HB2 ASP A 67 5.519 -4.915 12.140 1.00 0.40 H new ATOM 0 HB3 ASP A 67 7.021 -4.258 11.520 1.00 0.40 H new ATOM 1084 N ILE A 68 7.569 -1.573 11.454 1.00 0.30 N ATOM 1085 CA ILE A 68 8.691 -0.592 11.417 1.00 0.29 C ATOM 1086 C ILE A 68 8.130 0.807 11.692 1.00 0.27 C ATOM 1087 O ILE A 68 8.799 1.673 12.214 1.00 0.31 O ATOM 1088 CB ILE A 68 9.347 -0.639 10.033 1.00 0.30 C ATOM 1089 CG1 ILE A 68 9.859 -2.062 9.776 1.00 0.34 C ATOM 1090 CG2 ILE A 68 10.522 0.343 9.977 1.00 0.33 C ATOM 1091 CD1 ILE A 68 10.266 -2.212 8.310 1.00 0.35 C ATOM 0 H ILE A 68 7.377 -2.038 10.567 1.00 0.30 H new ATOM 0 HA ILE A 68 9.438 -0.835 12.173 1.00 0.29 H new ATOM 0 HB ILE A 68 8.616 -0.361 9.273 1.00 0.30 H new ATOM 0 HG12 ILE A 68 10.711 -2.274 10.422 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.083 -2.787 10.023 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.983 0.303 8.990 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.161 1.354 10.169 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.259 0.072 10.733 1.00 0.33 H new ATOM 0 HD11 ILE A 68 10.629 -3.225 8.135 1.00 0.35 H new ATOM 0 HD12 ILE A 68 9.404 -2.020 7.672 1.00 0.35 H new ATOM 0 HD13 ILE A 68 11.056 -1.498 8.077 1.00 0.35 H new ATOM 1103 N TYR A 69 6.887 1.010 11.356 1.00 0.26 N ATOM 1104 CA TYR A 69 6.238 2.330 11.598 1.00 0.26 C ATOM 1105 C TYR A 69 6.109 2.567 13.109 1.00 0.28 C ATOM 1106 O TYR A 69 6.226 3.678 13.588 1.00 0.34 O ATOM 1107 CB TYR A 69 4.843 2.318 10.955 1.00 0.29 C ATOM 1108 CG TYR A 69 4.035 3.526 11.390 1.00 0.27 C ATOM 1109 CD1 TYR A 69 3.421 3.541 12.650 1.00 1.22 C ATOM 1110 CD2 TYR A 69 3.887 4.622 10.529 1.00 1.25 C ATOM 1111 CE1 TYR A 69 2.666 4.651 13.049 1.00 1.23 C ATOM 1112 CE2 TYR A 69 3.128 5.730 10.928 1.00 1.28 C ATOM 1113 CZ TYR A 69 2.519 5.745 12.188 1.00 0.38 C ATOM 1114 OH TYR A 69 1.773 6.837 12.582 1.00 0.47 O ATOM 0 H TYR A 69 6.286 0.311 10.919 1.00 0.26 H new ATOM 0 HA TYR A 69 6.839 3.128 11.162 1.00 0.26 H new ATOM 0 HB2 TYR A 69 4.939 2.312 9.869 1.00 0.29 H new ATOM 0 HB3 TYR A 69 4.318 1.405 11.234 1.00 0.29 H new ATOM 0 HD1 TYR A 69 3.530 2.696 13.314 1.00 1.22 H new ATOM 0 HD2 TYR A 69 4.358 4.612 9.557 1.00 1.25 H new ATOM 0 HE1 TYR A 69 2.197 4.663 14.022 1.00 1.23 H new ATOM 0 HE2 TYR A 69 3.013 6.573 10.263 1.00 1.28 H new ATOM 0 HH TYR A 69 1.773 7.508 11.868 1.00 0.47 H new ATOM 1124 N LYS A 70 5.833 1.530 13.854 1.00 0.31 N ATOM 1125 CA LYS A 70 5.652 1.679 15.330 1.00 0.38 C ATOM 1126 C LYS A 70 6.987 1.846 16.072 1.00 0.38 C ATOM 1127 O LYS A 70 7.040 2.499 17.096 1.00 0.45 O ATOM 1128 CB LYS A 70 4.943 0.436 15.871 1.00 0.50 C ATOM 1129 CG LYS A 70 3.492 0.419 15.389 1.00 0.79 C ATOM 1130 CD LYS A 70 2.823 -0.880 15.843 1.00 0.88 C ATOM 1131 CE LYS A 70 1.316 -0.790 15.604 1.00 1.50 C ATOM 1132 NZ LYS A 70 0.719 0.184 16.560 1.00 2.26 N ATOM 0 H LYS A 70 5.724 0.579 13.502 1.00 0.31 H new ATOM 0 HA LYS A 70 5.062 2.580 15.499 1.00 0.38 H new ATOM 0 HB2 LYS A 70 5.458 -0.464 15.535 1.00 0.50 H new ATOM 0 HB3 LYS A 70 4.974 0.433 16.961 1.00 0.50 H new ATOM 0 HG2 LYS A 70 2.954 1.278 15.790 1.00 0.79 H new ATOM 0 HG3 LYS A 70 3.457 0.499 14.303 1.00 0.79 H new ATOM 0 HD2 LYS A 70 3.239 -1.726 15.295 1.00 0.88 H new ATOM 0 HD3 LYS A 70 3.024 -1.055 16.900 1.00 0.88 H new ATOM 0 HE2 LYS A 70 1.118 -0.478 14.579 1.00 1.50 H new ATOM 0 HE3 LYS A 70 0.857 -1.770 15.733 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.289 -0.034 16.694 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 1.211 0.120 17.474 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.817 1.147 16.181 1.00 2.26 H new ATOM 1146 N GLU A 71 8.059 1.253 15.600 1.00 0.40 N ATOM 1147 CA GLU A 71 9.367 1.378 16.332 1.00 0.52 C ATOM 1148 C GLU A 71 10.267 2.426 15.674 1.00 0.55 C ATOM 1149 O GLU A 71 11.152 2.975 16.300 1.00 1.13 O ATOM 1150 CB GLU A 71 10.092 0.027 16.303 1.00 0.63 C ATOM 1151 CG GLU A 71 10.231 -0.464 14.867 1.00 0.99 C ATOM 1152 CD GLU A 71 10.992 -1.792 14.857 1.00 1.55 C ATOM 1153 OE1 GLU A 71 12.211 -1.754 14.890 1.00 2.13 O ATOM 1154 OE2 GLU A 71 10.343 -2.824 14.820 1.00 2.27 O ATOM 0 H GLU A 71 8.088 0.693 14.748 1.00 0.40 H new ATOM 0 HA GLU A 71 9.157 1.684 17.357 1.00 0.52 H new ATOM 0 HB2 GLU A 71 11.077 0.125 16.759 1.00 0.63 H new ATOM 0 HB3 GLU A 71 9.539 -0.704 16.893 1.00 0.63 H new ATOM 0 HG2 GLU A 71 9.246 -0.593 14.418 1.00 0.99 H new ATOM 0 HG3 GLU A 71 10.761 0.276 14.267 1.00 0.99 H new ATOM 1161 N ALA A 72 10.060 2.690 14.406 1.00 0.59 N ATOM 1162 CA ALA A 72 10.915 3.683 13.679 1.00 0.57 C ATOM 1163 C ALA A 72 10.133 4.975 13.433 1.00 0.65 C ATOM 1164 O ALA A 72 9.601 5.198 12.363 1.00 1.23 O ATOM 1165 CB ALA A 72 11.340 3.080 12.336 1.00 0.60 C ATOM 0 H ALA A 72 9.331 2.257 13.839 1.00 0.59 H new ATOM 0 HA ALA A 72 11.793 3.914 14.282 1.00 0.57 H new ATOM 0 HB1 ALA A 72 11.963 3.794 11.797 1.00 0.60 H new ATOM 0 HB2 ALA A 72 11.905 2.165 12.511 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.454 2.852 11.743 1.00 0.60 H new ATOM 1171 N GLU A 73 10.059 5.828 14.417 1.00 0.71 N ATOM 1172 CA GLU A 73 9.312 7.107 14.244 1.00 0.77 C ATOM 1173 C GLU A 73 9.797 7.827 12.974 1.00 0.65 C ATOM 1174 O GLU A 73 9.295 7.590 11.902 1.00 1.06 O ATOM 1175 CB GLU A 73 9.539 8.002 15.474 1.00 1.08 C ATOM 1176 CG GLU A 73 10.983 7.839 15.991 1.00 1.79 C ATOM 1177 CD GLU A 73 11.063 6.664 16.973 1.00 2.15 C ATOM 1178 OE1 GLU A 73 10.275 5.744 16.832 1.00 2.62 O ATOM 1179 OE2 GLU A 73 11.912 6.708 17.848 1.00 2.60 O ATOM 0 H GLU A 73 10.484 5.695 15.335 1.00 0.71 H new ATOM 0 HA GLU A 73 8.248 6.895 14.144 1.00 0.77 H new ATOM 0 HB2 GLU A 73 9.353 9.044 15.214 1.00 1.08 H new ATOM 0 HB3 GLU A 73 8.831 7.739 16.260 1.00 1.08 H new ATOM 0 HG2 GLU A 73 11.660 7.670 15.154 1.00 1.79 H new ATOM 0 HG3 GLU A 73 11.307 8.756 16.483 1.00 1.79 H new ATOM 1186 N SER A 74 10.754 8.716 13.107 1.00 0.75 N ATOM 1187 CA SER A 74 11.290 9.493 11.934 1.00 0.62 C ATOM 1188 C SER A 74 11.086 8.755 10.599 1.00 0.55 C ATOM 1189 O SER A 74 10.717 9.351 9.607 1.00 0.63 O ATOM 1190 CB SER A 74 12.784 9.736 12.142 1.00 0.82 C ATOM 1191 OG SER A 74 13.290 10.505 11.059 1.00 1.55 O ATOM 0 H SER A 74 11.197 8.943 13.997 1.00 0.75 H new ATOM 0 HA SER A 74 10.740 10.433 11.880 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.951 10.259 13.084 1.00 0.82 H new ATOM 0 HB3 SER A 74 13.313 8.785 12.207 1.00 0.82 H new ATOM 0 HG SER A 74 14.248 10.664 11.190 1.00 1.55 H new ATOM 1197 N ARG A 75 11.326 7.472 10.561 1.00 0.48 N ATOM 1198 CA ARG A 75 11.148 6.722 9.280 1.00 0.45 C ATOM 1199 C ARG A 75 9.657 6.587 8.957 1.00 0.42 C ATOM 1200 O ARG A 75 9.261 5.769 8.150 1.00 0.50 O ATOM 1201 CB ARG A 75 11.768 5.326 9.403 1.00 0.52 C ATOM 1202 CG ARG A 75 13.230 5.430 9.863 1.00 0.81 C ATOM 1203 CD ARG A 75 14.121 5.890 8.702 1.00 1.10 C ATOM 1204 NE ARG A 75 15.552 5.734 9.087 1.00 1.49 N ATOM 1205 CZ ARG A 75 16.482 5.774 8.172 1.00 2.08 C ATOM 1206 NH1 ARG A 75 16.157 5.936 6.918 1.00 2.63 N ATOM 1207 NH2 ARG A 75 17.736 5.650 8.510 1.00 2.72 N ATOM 0 H ARG A 75 11.636 6.912 11.355 1.00 0.48 H new ATOM 0 HA ARG A 75 11.644 7.271 8.479 1.00 0.45 H new ATOM 0 HB2 ARG A 75 11.198 4.729 10.114 1.00 0.52 H new ATOM 0 HB3 ARG A 75 11.717 4.812 8.443 1.00 0.52 H new ATOM 0 HG2 ARG A 75 13.309 6.134 10.692 1.00 0.81 H new ATOM 0 HG3 ARG A 75 13.572 4.463 10.232 1.00 0.81 H new ATOM 0 HD2 ARG A 75 13.907 5.303 7.809 1.00 1.10 H new ATOM 0 HD3 ARG A 75 13.910 6.931 8.457 1.00 1.10 H new ATOM 0 HE ARG A 75 15.805 5.596 10.065 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.177 6.031 6.653 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.884 5.967 6.203 1.00 2.63 H new ATOM 0 HH21 ARG A 75 17.990 5.522 9.490 1.00 2.72 H new ATOM 0 HH22 ARG A 75 18.462 5.681 7.795 1.00 2.72 H new ATOM 1221 N ARG A 76 8.826 7.381 9.574 1.00 0.41 N ATOM 1222 CA ARG A 76 7.364 7.295 9.296 1.00 0.47 C ATOM 1223 C ARG A 76 7.079 7.884 7.909 1.00 0.43 C ATOM 1224 O ARG A 76 6.197 7.437 7.203 1.00 0.45 O ATOM 1225 CB ARG A 76 6.595 8.094 10.365 1.00 0.57 C ATOM 1226 CG ARG A 76 6.325 7.216 11.594 1.00 1.08 C ATOM 1227 CD ARG A 76 5.917 8.102 12.773 1.00 1.14 C ATOM 1228 NE ARG A 76 4.689 8.866 12.414 1.00 1.76 N ATOM 1229 CZ ARG A 76 3.993 9.461 13.344 1.00 2.01 C ATOM 1230 NH1 ARG A 76 4.376 9.396 14.589 1.00 1.55 N ATOM 1231 NH2 ARG A 76 2.914 10.123 13.027 1.00 3.05 N ATOM 0 H ARG A 76 9.096 8.086 10.259 1.00 0.41 H new ATOM 0 HA ARG A 76 7.043 6.254 9.322 1.00 0.47 H new ATOM 0 HB2 ARG A 76 7.171 8.972 10.657 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.652 8.453 9.952 1.00 0.57 H new ATOM 0 HG2 ARG A 76 5.535 6.497 11.375 1.00 1.08 H new ATOM 0 HG3 ARG A 76 7.216 6.642 11.848 1.00 1.08 H new ATOM 0 HD2 ARG A 76 5.733 7.490 13.656 1.00 1.14 H new ATOM 0 HD3 ARG A 76 6.726 8.788 13.024 1.00 1.14 H new ATOM 0 HE ARG A 76 4.392 8.924 11.440 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.220 8.880 14.837 1.00 1.55 H new ATOM 0 HH12 ARG A 76 3.831 9.861 15.315 1.00 1.55 H new ATOM 0 HH21 ARG A 76 2.615 10.175 12.053 1.00 3.05 H new ATOM 0 HH22 ARG A 76 2.369 10.588 13.753 1.00 3.05 H new ATOM 1245 N ARG A 77 7.807 8.897 7.527 1.00 0.40 N ATOM 1246 CA ARG A 77 7.567 9.532 6.201 1.00 0.43 C ATOM 1247 C ARG A 77 7.583 8.465 5.102 1.00 0.39 C ATOM 1248 O ARG A 77 6.682 8.389 4.290 1.00 0.39 O ATOM 1249 CB ARG A 77 8.670 10.562 5.935 1.00 0.48 C ATOM 1250 CG ARG A 77 8.258 11.493 4.783 1.00 1.10 C ATOM 1251 CD ARG A 77 9.267 12.661 4.643 1.00 1.24 C ATOM 1252 NE ARG A 77 9.685 12.823 3.209 1.00 1.80 N ATOM 1253 CZ ARG A 77 10.202 11.835 2.527 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.448 10.691 3.106 1.00 2.43 N ATOM 1255 NH2 ARG A 77 10.499 12.002 1.267 1.00 3.22 N ATOM 0 H ARG A 77 8.559 9.313 8.077 1.00 0.40 H new ATOM 0 HA ARG A 77 6.594 10.024 6.202 1.00 0.43 H new ATOM 0 HB2 ARG A 77 8.857 11.146 6.836 1.00 0.48 H new ATOM 0 HB3 ARG A 77 9.601 10.053 5.686 1.00 0.48 H new ATOM 0 HG2 ARG A 77 8.213 10.930 3.851 1.00 1.10 H new ATOM 0 HG3 ARG A 77 7.259 11.888 4.966 1.00 1.10 H new ATOM 0 HD2 ARG A 77 8.815 13.585 5.003 1.00 1.24 H new ATOM 0 HD3 ARG A 77 10.142 12.470 5.264 1.00 1.24 H new ATOM 0 HE ARG A 77 9.562 13.728 2.755 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.237 10.565 4.096 1.00 2.43 H new ATOM 0 HH12 ARG A 77 10.851 9.924 2.569 1.00 2.43 H new ATOM 0 HH21 ARG A 77 10.328 12.901 0.817 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.903 11.233 0.732 1.00 3.22 H new ATOM 1269 N GLU A 78 8.596 7.645 5.062 1.00 0.36 N ATOM 1270 CA GLU A 78 8.659 6.594 4.007 1.00 0.36 C ATOM 1271 C GLU A 78 7.550 5.561 4.229 1.00 0.30 C ATOM 1272 O GLU A 78 7.019 4.998 3.293 1.00 0.32 O ATOM 1273 CB GLU A 78 10.019 5.895 4.068 1.00 0.40 C ATOM 1274 CG GLU A 78 11.130 6.912 3.801 1.00 0.91 C ATOM 1275 CD GLU A 78 12.492 6.227 3.934 1.00 1.56 C ATOM 1276 OE1 GLU A 78 12.708 5.243 3.246 1.00 2.33 O ATOM 1277 OE2 GLU A 78 13.296 6.698 4.722 1.00 2.13 O ATOM 0 H GLU A 78 9.382 7.657 5.712 1.00 0.36 H new ATOM 0 HA GLU A 78 8.525 7.060 3.031 1.00 0.36 H new ATOM 0 HB2 GLU A 78 10.160 5.436 5.046 1.00 0.40 H new ATOM 0 HB3 GLU A 78 10.061 5.093 3.331 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.019 7.334 2.802 1.00 0.91 H new ATOM 0 HG3 GLU A 78 11.057 7.740 4.506 1.00 0.91 H new ATOM 1284 N CYS A 79 7.204 5.298 5.459 1.00 0.27 N ATOM 1285 CA CYS A 79 6.139 4.289 5.733 1.00 0.25 C ATOM 1286 C CYS A 79 4.767 4.847 5.343 1.00 0.23 C ATOM 1287 O CYS A 79 3.967 4.169 4.729 1.00 0.24 O ATOM 1288 CB CYS A 79 6.140 3.939 7.222 1.00 0.29 C ATOM 1289 SG CYS A 79 7.743 3.230 7.674 1.00 1.19 S ATOM 0 H CYS A 79 7.611 5.736 6.285 1.00 0.27 H new ATOM 0 HA CYS A 79 6.339 3.395 5.143 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.944 4.831 7.816 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.342 3.229 7.440 1.00 0.29 H new ATOM 0 HG CYS A 79 8.497 4.155 8.190 1.00 1.19 H new ATOM 1295 N LEU A 80 4.481 6.071 5.697 1.00 0.23 N ATOM 1296 CA LEU A 80 3.153 6.652 5.346 1.00 0.23 C ATOM 1297 C LEU A 80 2.925 6.533 3.838 1.00 0.21 C ATOM 1298 O LEU A 80 1.874 6.117 3.391 1.00 0.21 O ATOM 1299 CB LEU A 80 3.109 8.130 5.753 1.00 0.26 C ATOM 1300 CG LEU A 80 3.069 8.262 7.286 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.444 9.694 7.681 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.660 7.948 7.820 1.00 0.42 C ATOM 0 H LEU A 80 5.106 6.691 6.212 1.00 0.23 H new ATOM 0 HA LEU A 80 2.372 6.108 5.877 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.983 8.649 5.359 1.00 0.26 H new ATOM 0 HB3 LEU A 80 2.232 8.608 5.317 1.00 0.26 H new ATOM 0 HG LEU A 80 3.777 7.554 7.716 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.417 9.791 8.766 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.448 9.919 7.322 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.734 10.392 7.236 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.652 8.047 8.905 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.943 8.645 7.387 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.386 6.929 7.546 1.00 0.42 H new ATOM 1314 N TYR A 81 3.898 6.895 3.050 1.00 0.22 N ATOM 1315 CA TYR A 81 3.733 6.803 1.571 1.00 0.23 C ATOM 1316 C TYR A 81 3.676 5.330 1.154 1.00 0.22 C ATOM 1317 O TYR A 81 2.829 4.925 0.382 1.00 0.22 O ATOM 1318 CB TYR A 81 4.922 7.485 0.889 1.00 0.26 C ATOM 1319 CG TYR A 81 4.679 7.563 -0.602 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.727 8.456 -1.109 1.00 1.26 C ATOM 1321 CD2 TYR A 81 5.407 6.745 -1.478 1.00 1.05 C ATOM 1322 CE1 TYR A 81 3.502 8.531 -2.490 1.00 1.31 C ATOM 1323 CE2 TYR A 81 5.181 6.821 -2.858 1.00 1.04 C ATOM 1324 CZ TYR A 81 4.229 7.714 -3.363 1.00 0.46 C ATOM 1325 OH TYR A 81 4.006 7.789 -4.723 1.00 0.55 O ATOM 0 H TYR A 81 4.801 7.251 3.365 1.00 0.22 H new ATOM 0 HA TYR A 81 2.808 7.297 1.273 1.00 0.23 H new ATOM 0 HB2 TYR A 81 5.062 8.486 1.297 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.837 6.928 1.089 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.166 9.087 -0.436 1.00 1.26 H new ATOM 0 HD2 TYR A 81 6.142 6.056 -1.088 1.00 1.05 H new ATOM 0 HE1 TYR A 81 2.767 9.219 -2.881 1.00 1.31 H new ATOM 0 HE2 TYR A 81 5.741 6.191 -3.533 1.00 1.04 H new ATOM 0 HH TYR A 81 4.594 7.156 -5.186 1.00 0.55 H new ATOM 1335 N TYR A 82 4.577 4.529 1.653 1.00 0.23 N ATOM 1336 CA TYR A 82 4.588 3.081 1.283 1.00 0.23 C ATOM 1337 C TYR A 82 3.306 2.394 1.783 1.00 0.22 C ATOM 1338 O TYR A 82 2.811 1.476 1.161 1.00 0.24 O ATOM 1339 CB TYR A 82 5.817 2.405 1.920 1.00 0.25 C ATOM 1340 CG TYR A 82 7.042 2.597 1.043 1.00 0.25 C ATOM 1341 CD1 TYR A 82 7.428 3.883 0.642 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.796 1.485 0.637 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.563 4.057 -0.161 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.929 1.661 -0.167 1.00 1.12 C ATOM 1345 CZ TYR A 82 9.312 2.946 -0.565 1.00 0.31 C ATOM 1346 OH TYR A 82 10.430 3.118 -1.355 1.00 0.36 O ATOM 0 H TYR A 82 5.309 4.814 2.303 1.00 0.23 H new ATOM 0 HA TYR A 82 4.635 2.989 0.198 1.00 0.23 H new ATOM 0 HB2 TYR A 82 6.000 2.826 2.908 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.624 1.341 2.058 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.850 4.741 0.952 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.502 0.492 0.945 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.860 5.049 -0.468 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.507 0.804 -0.480 1.00 1.12 H new ATOM 0 HH TYR A 82 10.834 2.246 -1.544 1.00 0.36 H new ATOM 1356 N LEU A 83 2.757 2.824 2.889 1.00 0.21 N ATOM 1357 CA LEU A 83 1.510 2.178 3.387 1.00 0.20 C ATOM 1358 C LEU A 83 0.374 2.497 2.423 1.00 0.20 C ATOM 1359 O LEU A 83 -0.447 1.652 2.123 1.00 0.25 O ATOM 1360 CB LEU A 83 1.175 2.704 4.790 1.00 0.20 C ATOM 1361 CG LEU A 83 2.096 2.043 5.839 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.202 2.940 7.076 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.529 0.680 6.265 1.00 0.25 C ATOM 0 H LEU A 83 3.115 3.587 3.463 1.00 0.21 H new ATOM 0 HA LEU A 83 1.649 1.098 3.445 1.00 0.20 H new ATOM 0 HB2 LEU A 83 1.296 3.787 4.819 1.00 0.20 H new ATOM 0 HB3 LEU A 83 0.132 2.493 5.026 1.00 0.20 H new ATOM 0 HG LEU A 83 3.081 1.904 5.393 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.853 2.469 7.813 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.617 3.906 6.790 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.211 3.084 7.507 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.189 0.226 7.004 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.538 0.817 6.698 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.457 0.028 5.395 1.00 0.25 H new ATOM 1375 N THR A 84 0.318 3.697 1.911 1.00 0.19 N ATOM 1376 CA THR A 84 -0.761 4.044 0.950 1.00 0.19 C ATOM 1377 C THR A 84 -0.675 3.109 -0.256 1.00 0.22 C ATOM 1378 O THR A 84 -1.670 2.616 -0.748 1.00 0.24 O ATOM 1379 CB THR A 84 -0.545 5.491 0.490 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.349 6.320 1.626 1.00 0.22 O ATOM 1381 CG2 THR A 84 -1.758 5.985 -0.299 1.00 0.18 C ATOM 0 H THR A 84 0.974 4.450 2.118 1.00 0.19 H new ATOM 0 HA THR A 84 -1.740 3.940 1.419 1.00 0.19 H new ATOM 0 HB THR A 84 0.333 5.531 -0.154 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.551 6.175 1.986 1.00 0.22 H new ATOM 0 HG21 THR A 84 -1.590 7.013 -0.619 1.00 0.18 H new ATOM 0 HG22 THR A 84 -1.905 5.352 -1.174 1.00 0.18 H new ATOM 0 HG23 THR A 84 -2.645 5.942 0.333 1.00 0.18 H new ATOM 1389 N ILE A 85 0.514 2.868 -0.738 1.00 0.23 N ATOM 1390 CA ILE A 85 0.677 1.972 -1.915 1.00 0.27 C ATOM 1391 C ILE A 85 0.398 0.523 -1.504 1.00 0.29 C ATOM 1392 O ILE A 85 -0.385 -0.173 -2.125 1.00 0.31 O ATOM 1393 CB ILE A 85 2.107 2.094 -2.454 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.292 3.503 -3.040 1.00 0.31 C ATOM 1395 CG2 ILE A 85 2.339 1.025 -3.536 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.731 3.692 -3.526 1.00 0.61 C ATOM 0 H ILE A 85 1.381 3.255 -0.365 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.028 2.263 -2.694 1.00 0.27 H new ATOM 0 HB ILE A 85 2.830 1.939 -1.653 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.599 3.654 -3.868 1.00 0.31 H new ATOM 0 HG13 ILE A 85 2.055 4.252 -2.285 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.355 1.111 -3.920 1.00 0.32 H new ATOM 0 HG22 ILE A 85 2.196 0.034 -3.105 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.630 1.172 -4.351 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.847 4.694 -3.938 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.418 3.562 -2.689 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.955 2.954 -4.297 1.00 0.61 H new ATOM 1408 N GLY A 86 1.030 0.065 -0.462 1.00 0.30 N ATOM 1409 CA GLY A 86 0.803 -1.335 -0.014 1.00 0.33 C ATOM 1410 C GLY A 86 -0.668 -1.522 0.352 1.00 0.33 C ATOM 1411 O GLY A 86 -1.220 -2.594 0.205 1.00 0.39 O ATOM 0 H GLY A 86 1.694 0.599 0.099 1.00 0.30 H new ATOM 0 HA2 GLY A 86 1.083 -2.031 -0.805 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.434 -1.559 0.846 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.310 -0.492 0.833 1.00 0.29 N ATOM 1416 CA CYS A 87 -2.741 -0.624 1.210 1.00 0.30 C ATOM 1417 C CYS A 87 -3.619 -0.582 -0.047 1.00 0.35 C ATOM 1418 O CYS A 87 -4.609 -1.280 -0.146 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.123 0.524 2.146 1.00 0.29 C ATOM 1420 SG CYS A 87 -4.921 0.563 2.356 1.00 1.29 S ATOM 0 H CYS A 87 -0.904 0.432 0.980 1.00 0.29 H new ATOM 0 HA CYS A 87 -2.896 -1.576 1.717 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -2.636 0.396 3.113 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -2.774 1.472 1.737 1.00 0.29 H new ATOM 0 HG CYS A 87 -5.469 -0.319 1.573 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.276 0.243 -1.003 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.101 0.344 -2.244 1.00 0.40 C ATOM 1428 C TYR A 88 -4.259 -1.033 -2.900 1.00 0.43 C ATOM 1429 O TYR A 88 -5.256 -1.312 -3.537 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.416 1.297 -3.228 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.177 1.308 -4.532 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -3.845 0.398 -5.543 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -5.217 2.222 -4.727 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -4.553 0.404 -6.750 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -5.925 2.229 -5.933 1.00 1.28 C ATOM 1436 CZ TYR A 88 -5.593 1.320 -6.946 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.292 1.326 -8.135 1.00 0.66 O ATOM 0 H TYR A 88 -2.458 0.852 -0.977 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.089 0.722 -1.980 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.377 2.303 -2.809 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.386 0.982 -3.398 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -3.042 -0.309 -5.391 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -5.474 2.923 -3.946 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -4.297 -0.298 -7.530 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -6.728 2.935 -6.083 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.981 2.022 -8.106 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.292 -1.894 -2.755 1.00 0.43 N ATOM 1448 CA LYS A 89 -3.411 -3.244 -3.383 1.00 0.51 C ATOM 1449 C LYS A 89 -4.405 -4.093 -2.582 1.00 0.36 C ATOM 1450 O LYS A 89 -4.954 -5.055 -3.081 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.034 -3.927 -3.427 1.00 0.70 C ATOM 1452 CG LYS A 89 -1.248 -3.422 -4.644 1.00 1.00 C ATOM 1453 CD LYS A 89 0.071 -4.186 -4.764 1.00 1.24 C ATOM 1454 CE LYS A 89 0.722 -3.867 -6.111 1.00 1.56 C ATOM 1455 NZ LYS A 89 -0.021 -4.564 -7.199 1.00 2.05 N ATOM 0 H LYS A 89 -2.431 -1.727 -2.234 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.776 -3.139 -4.405 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.482 -3.715 -2.511 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.155 -5.009 -3.483 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.839 -3.554 -5.550 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -1.052 -2.354 -4.544 1.00 1.00 H new ATOM 0 HD2 LYS A 89 0.740 -3.909 -3.949 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -0.108 -5.258 -4.679 1.00 1.24 H new ATOM 0 HE2 LYS A 89 0.717 -2.791 -6.284 1.00 1.56 H new ATOM 0 HE3 LYS A 89 1.765 -4.184 -6.107 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.590 -4.652 -8.036 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -0.303 -5.511 -6.875 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -0.869 -4.016 -7.446 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.654 -3.731 -1.351 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.628 -4.498 -0.510 1.00 0.47 C ATOM 1471 C LEU A 90 -6.941 -3.717 -0.438 1.00 0.56 C ATOM 1472 O LEU A 90 -7.757 -3.948 0.432 1.00 0.89 O ATOM 1473 CB LEU A 90 -5.074 -4.653 0.910 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.637 -5.176 0.863 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -3.086 -5.260 2.289 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.614 -6.568 0.222 1.00 0.56 C ATOM 0 H LEU A 90 -4.223 -2.932 -0.886 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.792 -5.482 -0.950 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -5.103 -3.693 1.426 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.700 -5.340 1.479 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.022 -4.499 0.270 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -2.062 -5.632 2.262 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -3.100 -4.269 2.743 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.703 -5.938 2.878 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.589 -6.937 0.190 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.227 -7.250 0.811 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.010 -6.508 -0.792 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.138 -2.778 -1.329 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.375 -1.940 -1.312 1.00 0.91 C ATOM 1490 C GLY A 91 -8.822 -1.610 0.111 1.00 0.69 C ATOM 1491 O GLY A 91 -9.964 -1.261 0.339 1.00 0.69 O ATOM 0 H GLY A 91 -6.484 -2.554 -2.079 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.194 -1.015 -1.859 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.176 -2.466 -1.831 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.929 -1.622 1.055 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.316 -1.202 2.428 1.00 0.42 C ATOM 1497 C GLU A 92 -8.213 0.321 2.421 1.00 0.34 C ATOM 1498 O GLU A 92 -7.623 0.929 3.292 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.332 -1.779 3.449 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.647 -3.254 3.700 1.00 0.55 C ATOM 1501 CD GLU A 92 -6.630 -3.827 4.689 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -6.573 -3.332 5.803 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -5.925 -4.750 4.316 1.00 2.06 O ATOM 0 H GLU A 92 -6.955 -1.902 0.939 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.314 -1.550 2.696 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.311 -1.674 3.083 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.395 -1.221 4.383 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -8.657 -3.360 4.097 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -7.613 -3.810 2.763 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.727 0.930 1.381 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.605 2.406 1.230 1.00 0.31 C ATOM 1512 C TYR A 93 -8.894 3.142 2.538 1.00 0.25 C ATOM 1513 O TYR A 93 -8.575 4.305 2.652 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.549 2.933 0.145 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.498 2.067 -1.095 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.440 2.202 -2.001 1.00 1.28 C ATOM 1517 CD2 TYR A 93 -10.527 1.150 -1.352 1.00 1.42 C ATOM 1518 CE1 TYR A 93 -8.408 1.418 -3.162 1.00 1.35 C ATOM 1519 CE2 TYR A 93 -10.496 0.370 -2.515 1.00 1.57 C ATOM 1520 CZ TYR A 93 -9.437 0.504 -3.419 1.00 0.95 C ATOM 1521 OH TYR A 93 -9.407 -0.264 -4.565 1.00 1.19 O ATOM 0 H TYR A 93 -9.229 0.461 0.627 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.572 2.599 0.940 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.569 2.962 0.529 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.276 3.957 -0.112 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -7.648 2.910 -1.805 1.00 1.28 H new ATOM 0 HD2 TYR A 93 -11.344 1.045 -0.653 1.00 1.42 H new ATOM 0 HE1 TYR A 93 -7.589 1.519 -3.859 1.00 1.35 H new ATOM 0 HE2 TYR A 93 -11.290 -0.335 -2.714 1.00 1.57 H new ATOM 0 HH TYR A 93 -10.195 -0.846 -4.589 1.00 1.19 H new ATOM 1531 N SER A 94 -9.453 2.526 3.542 1.00 0.24 N ATOM 1532 CA SER A 94 -9.685 3.290 4.800 1.00 0.28 C ATOM 1533 C SER A 94 -8.335 3.629 5.422 1.00 0.29 C ATOM 1534 O SER A 94 -8.142 4.689 5.984 1.00 0.39 O ATOM 1535 CB SER A 94 -10.496 2.431 5.772 1.00 0.30 C ATOM 1536 OG SER A 94 -9.744 1.276 6.119 1.00 1.12 O ATOM 0 H SER A 94 -9.753 1.551 3.549 1.00 0.24 H new ATOM 0 HA SER A 94 -10.235 4.206 4.586 1.00 0.28 H new ATOM 0 HB2 SER A 94 -10.737 3.004 6.667 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.442 2.139 5.315 1.00 0.30 H new ATOM 0 HG SER A 94 -10.261 0.725 6.743 1.00 1.12 H new ATOM 1542 N MET A 95 -7.399 2.732 5.319 1.00 0.27 N ATOM 1543 CA MET A 95 -6.053 2.985 5.892 1.00 0.36 C ATOM 1544 C MET A 95 -5.272 3.923 4.973 1.00 0.26 C ATOM 1545 O MET A 95 -4.655 4.872 5.415 1.00 0.26 O ATOM 1546 CB MET A 95 -5.307 1.653 6.019 1.00 0.48 C ATOM 1547 CG MET A 95 -6.125 0.656 6.875 1.00 0.81 C ATOM 1548 SD MET A 95 -5.050 -0.131 8.103 1.00 1.25 S ATOM 1549 CE MET A 95 -4.845 1.301 9.196 1.00 0.83 C ATOM 0 H MET A 95 -7.510 1.828 4.859 1.00 0.27 H new ATOM 0 HA MET A 95 -6.152 3.447 6.874 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.130 1.232 5.029 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.331 1.818 6.475 1.00 0.48 H new ATOM 0 HG2 MET A 95 -6.941 1.177 7.375 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.576 -0.102 6.234 1.00 0.81 H new ATOM 0 HE1 MET A 95 -3.791 1.572 9.246 1.00 0.83 H new ATOM 0 HE2 MET A 95 -5.418 2.142 8.805 1.00 0.83 H new ATOM 0 HE3 MET A 95 -5.203 1.051 10.195 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.293 3.664 3.696 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.550 4.536 2.748 1.00 0.20 C ATOM 1561 C ALA A 96 -5.066 5.975 2.864 1.00 0.18 C ATOM 1562 O ALA A 96 -4.300 6.917 2.914 1.00 0.19 O ATOM 1563 CB ALA A 96 -4.762 4.028 1.320 1.00 0.23 C ATOM 0 H ALA A 96 -5.793 2.885 3.268 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.487 4.514 2.988 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.218 4.665 0.623 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.394 3.005 1.239 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -5.825 4.051 1.080 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.360 6.152 2.891 1.00 0.19 N ATOM 1570 CA LYS A 97 -6.929 7.529 2.986 1.00 0.21 C ATOM 1571 C LYS A 97 -6.449 8.214 4.270 1.00 0.21 C ATOM 1572 O LYS A 97 -6.070 9.366 4.254 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.469 7.448 2.967 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.077 8.706 2.325 1.00 0.44 C ATOM 1575 CD LYS A 97 -8.773 9.943 3.182 1.00 0.78 C ATOM 1576 CE LYS A 97 -9.774 11.055 2.855 1.00 1.07 C ATOM 1577 NZ LYS A 97 -9.448 12.268 3.657 1.00 2.10 N ATOM 0 H LYS A 97 -7.049 5.401 2.851 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.589 8.119 2.135 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -8.784 6.564 2.413 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.844 7.337 3.984 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.673 8.842 1.322 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -10.155 8.584 2.220 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -8.831 9.688 4.240 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -7.757 10.288 2.993 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -9.739 11.289 1.791 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.788 10.722 3.075 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -10.325 12.680 4.035 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -8.821 12.006 4.444 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -8.970 12.966 3.052 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.483 7.558 5.396 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.048 8.228 6.648 1.00 0.25 C ATOM 1593 C ARG A 98 -4.553 8.573 6.615 1.00 0.20 C ATOM 1594 O ARG A 98 -4.152 9.640 7.036 1.00 0.21 O ATOM 1595 CB ARG A 98 -6.320 7.268 7.809 1.00 0.33 C ATOM 1596 CG ARG A 98 -6.262 8.028 9.129 1.00 1.18 C ATOM 1597 CD ARG A 98 -6.428 7.050 10.297 1.00 1.28 C ATOM 1598 NE ARG A 98 -7.581 6.125 10.036 1.00 1.90 N ATOM 1599 CZ ARG A 98 -8.786 6.575 9.803 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -9.065 7.839 9.960 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -9.730 5.742 9.460 1.00 3.20 N ATOM 0 H ARG A 98 -6.792 6.592 5.501 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.599 9.161 6.764 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -7.299 6.804 7.688 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.584 6.464 7.809 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -5.311 8.554 9.215 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.048 8.783 9.160 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -5.513 6.474 10.432 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.596 7.601 11.222 1.00 1.28 H new ATOM 0 HE ARG A 98 -7.420 5.118 10.041 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.340 8.487 10.267 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -10.009 8.180 9.775 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -9.526 4.746 9.375 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -10.672 6.087 9.277 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.716 7.682 6.153 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.254 7.987 6.147 1.00 0.22 C ATOM 1617 C TYR A 99 -1.924 9.042 5.084 1.00 0.19 C ATOM 1618 O TYR A 99 -1.272 10.028 5.366 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.451 6.712 5.855 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.562 5.729 7.010 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.135 6.093 8.298 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.078 4.442 6.789 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -1.230 5.178 9.354 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.169 3.530 7.849 1.00 1.34 C ATOM 1625 CZ TYR A 99 -1.747 3.899 9.129 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.837 2.998 10.171 1.00 0.47 O ATOM 0 H TYR A 99 -3.976 6.767 5.784 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.985 8.375 7.130 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.817 6.248 4.939 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.404 6.966 5.687 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -0.733 7.080 8.474 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -2.405 4.155 5.801 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -0.903 5.461 10.344 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -2.566 2.540 7.676 1.00 1.34 H new ATOM 0 HH TYR A 99 -1.970 3.483 11.012 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.347 8.845 3.866 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.025 9.846 2.808 1.00 0.19 C ATOM 1638 C VAL A 100 -2.452 11.239 3.289 1.00 0.21 C ATOM 1639 O VAL A 100 -1.850 12.237 2.949 1.00 0.22 O ATOM 1640 CB VAL A 100 -2.742 9.473 1.496 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.216 9.883 1.551 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.067 10.184 0.320 1.00 0.20 C ATOM 0 H VAL A 100 -2.897 8.043 3.558 1.00 0.18 H new ATOM 0 HA VAL A 100 -0.952 9.852 2.616 1.00 0.19 H new ATOM 0 HB VAL A 100 -2.679 8.393 1.364 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -4.704 9.611 0.615 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -4.706 9.370 2.379 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.289 10.961 1.698 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -2.576 9.918 -0.606 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -2.121 11.263 0.467 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.023 9.878 0.261 1.00 0.20 H new ATOM 1652 N ASP A 101 -3.491 11.306 4.077 1.00 0.23 N ATOM 1653 CA ASP A 101 -3.966 12.625 4.584 1.00 0.27 C ATOM 1654 C ASP A 101 -2.886 13.268 5.460 1.00 0.26 C ATOM 1655 O ASP A 101 -2.513 14.407 5.263 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.234 12.422 5.415 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.393 12.039 4.493 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -6.242 12.185 3.292 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -7.413 11.607 5.005 1.00 1.79 O ATOM 0 H ASP A 101 -4.033 10.501 4.392 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.179 13.278 3.737 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -5.073 11.641 6.158 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.475 13.335 5.959 1.00 0.30 H new ATOM 1664 N THR A 102 -2.385 12.551 6.430 1.00 0.25 N ATOM 1665 CA THR A 102 -1.337 13.130 7.319 1.00 0.26 C ATOM 1666 C THR A 102 -0.136 13.571 6.481 1.00 0.26 C ATOM 1667 O THR A 102 0.376 14.662 6.637 1.00 0.27 O ATOM 1668 CB THR A 102 -0.888 12.074 8.332 1.00 0.27 C ATOM 1669 OG1 THR A 102 -1.990 11.703 9.148 1.00 0.32 O ATOM 1670 CG2 THR A 102 0.228 12.646 9.206 1.00 0.29 C ATOM 0 H THR A 102 -2.656 11.591 6.645 1.00 0.25 H new ATOM 0 HA THR A 102 -1.747 13.992 7.845 1.00 0.26 H new ATOM 0 HB THR A 102 -0.517 11.196 7.802 1.00 0.27 H new ATOM 0 HG1 THR A 102 -1.704 11.026 9.796 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.547 11.894 9.927 1.00 0.29 H new ATOM 0 HG22 THR A 102 1.073 12.929 8.578 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.139 13.524 9.737 1.00 0.29 H new ATOM 1678 N LEU A 103 0.323 12.727 5.600 1.00 0.25 N ATOM 1679 CA LEU A 103 1.498 13.090 4.758 1.00 0.27 C ATOM 1680 C LEU A 103 1.159 14.294 3.875 1.00 0.29 C ATOM 1681 O LEU A 103 1.953 15.202 3.723 1.00 0.31 O ATOM 1682 CB LEU A 103 1.870 11.901 3.863 1.00 0.29 C ATOM 1683 CG LEU A 103 3.230 12.155 3.171 1.00 0.34 C ATOM 1684 CD1 LEU A 103 4.378 11.677 4.069 1.00 0.36 C ATOM 1685 CD2 LEU A 103 3.288 11.388 1.845 1.00 0.41 C ATOM 0 H LEU A 103 -0.065 11.800 5.426 1.00 0.25 H new ATOM 0 HA LEU A 103 2.336 13.344 5.408 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.922 10.990 4.460 1.00 0.29 H new ATOM 0 HB3 LEU A 103 1.095 11.746 3.112 1.00 0.29 H new ATOM 0 HG LEU A 103 3.332 13.225 2.987 1.00 0.34 H new ATOM 0 HD11 LEU A 103 5.330 11.861 3.571 1.00 0.36 H new ATOM 0 HD12 LEU A 103 4.351 12.220 5.014 1.00 0.36 H new ATOM 0 HD13 LEU A 103 4.269 10.610 4.261 1.00 0.36 H new ATOM 0 HD21 LEU A 103 4.248 11.570 1.361 1.00 0.41 H new ATOM 0 HD22 LEU A 103 3.175 10.321 2.037 1.00 0.41 H new ATOM 0 HD23 LEU A 103 2.483 11.727 1.193 1.00 0.41 H new ATOM 1697 N PHE A 104 0.002 14.305 3.273 1.00 0.29 N ATOM 1698 CA PHE A 104 -0.351 15.449 2.385 1.00 0.32 C ATOM 1699 C PHE A 104 -0.532 16.718 3.220 1.00 0.37 C ATOM 1700 O PHE A 104 -0.319 17.817 2.747 1.00 0.41 O ATOM 1701 CB PHE A 104 -1.644 15.133 1.626 1.00 0.33 C ATOM 1702 CG PHE A 104 -2.076 16.343 0.828 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -1.426 16.655 -0.372 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.124 17.151 1.287 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -1.824 17.775 -1.113 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -3.522 18.271 0.545 1.00 1.19 C ATOM 1707 CZ PHE A 104 -2.871 18.582 -0.655 1.00 0.60 C ATOM 0 H PHE A 104 -0.709 13.578 3.356 1.00 0.29 H new ATOM 0 HA PHE A 104 0.454 15.609 1.668 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -1.488 14.284 0.961 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -2.429 14.849 2.327 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -0.618 16.032 -0.726 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.625 16.911 2.213 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -1.322 18.016 -2.039 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.330 18.894 0.898 1.00 1.19 H new ATOM 0 HZ PHE A 104 -3.177 19.445 -1.227 1.00 0.60 H new ATOM 1717 N GLU A 105 -0.924 16.583 4.457 1.00 0.42 N ATOM 1718 CA GLU A 105 -1.114 17.792 5.305 1.00 0.52 C ATOM 1719 C GLU A 105 0.241 18.461 5.550 1.00 0.56 C ATOM 1720 O GLU A 105 0.384 19.663 5.448 1.00 0.61 O ATOM 1721 CB GLU A 105 -1.712 17.358 6.648 1.00 0.58 C ATOM 1722 CG GLU A 105 -2.209 18.585 7.414 1.00 1.20 C ATOM 1723 CD GLU A 105 -2.900 18.133 8.703 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -3.297 16.981 8.766 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -3.020 18.946 9.604 1.00 2.31 O ATOM 0 H GLU A 105 -1.120 15.693 4.915 1.00 0.42 H new ATOM 0 HA GLU A 105 -1.780 18.496 4.806 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.535 16.663 6.482 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -0.962 16.829 7.237 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -1.373 19.245 7.648 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -2.903 19.156 6.797 1.00 1.20 H new ATOM 1732 N HIS A 106 1.225 17.684 5.912 1.00 0.57 N ATOM 1733 CA HIS A 106 2.572 18.251 6.213 1.00 0.65 C ATOM 1734 C HIS A 106 3.002 19.236 5.118 1.00 1.07 C ATOM 1735 O HIS A 106 3.979 19.945 5.260 1.00 1.90 O ATOM 1736 CB HIS A 106 3.588 17.098 6.289 1.00 0.88 C ATOM 1737 CG HIS A 106 3.462 16.397 7.618 1.00 1.61 C ATOM 1738 ND1 HIS A 106 3.337 15.020 7.722 1.00 2.41 N ATOM 1739 CD2 HIS A 106 3.438 16.874 8.906 1.00 2.42 C ATOM 1740 CE1 HIS A 106 3.243 14.720 9.031 1.00 3.18 C ATOM 1741 NE2 HIS A 106 3.300 15.813 9.796 1.00 3.21 N ATOM 0 H HIS A 106 1.153 16.672 6.013 1.00 0.57 H new ATOM 0 HA HIS A 106 2.531 18.785 7.162 1.00 0.65 H new ATOM 0 HB2 HIS A 106 3.413 16.392 5.477 1.00 0.88 H new ATOM 0 HB3 HIS A 106 4.600 17.483 6.165 1.00 0.88 H new ATOM 0 HD2 HIS A 106 3.515 17.914 9.186 1.00 2.42 H new ATOM 0 HE1 HIS A 106 3.135 13.717 9.416 1.00 3.18 H new ATOM 0 HE2 HIS A 106 3.253 15.860 10.814 1.00 3.21 H new ATOM 1749 N GLU A 107 2.304 19.262 4.013 1.00 1.47 N ATOM 1750 CA GLU A 107 2.701 20.174 2.900 1.00 2.05 C ATOM 1751 C GLU A 107 4.009 19.640 2.300 1.00 1.90 C ATOM 1752 O GLU A 107 4.316 18.472 2.432 1.00 2.18 O ATOM 1753 CB GLU A 107 2.893 21.605 3.443 1.00 2.77 C ATOM 1754 CG GLU A 107 2.532 22.632 2.361 1.00 3.57 C ATOM 1755 CD GLU A 107 2.870 24.039 2.856 1.00 4.22 C ATOM 1756 OE1 GLU A 107 3.997 24.461 2.656 1.00 4.64 O ATOM 1757 OE2 GLU A 107 1.996 24.671 3.426 1.00 4.69 O ATOM 0 H GLU A 107 1.477 18.692 3.833 1.00 1.47 H new ATOM 0 HA GLU A 107 1.929 20.208 2.132 1.00 2.05 H new ATOM 0 HB2 GLU A 107 2.267 21.756 4.322 1.00 2.77 H new ATOM 0 HB3 GLU A 107 3.926 21.747 3.760 1.00 2.77 H new ATOM 0 HG2 GLU A 107 3.080 22.417 1.444 1.00 3.57 H new ATOM 0 HG3 GLU A 107 1.471 22.565 2.121 1.00 3.57 H new ATOM 1764 N ARG A 108 4.794 20.462 1.652 1.00 2.18 N ATOM 1765 CA ARG A 108 6.073 19.956 1.073 1.00 2.54 C ATOM 1766 C ARG A 108 5.816 18.680 0.268 1.00 2.14 C ATOM 1767 O ARG A 108 6.677 17.833 0.139 1.00 2.49 O ATOM 1768 CB ARG A 108 7.061 19.659 2.203 1.00 3.58 C ATOM 1769 CG ARG A 108 7.362 20.953 2.975 1.00 4.39 C ATOM 1770 CD ARG A 108 8.103 21.964 2.072 1.00 5.40 C ATOM 1771 NE ARG A 108 9.187 22.641 2.855 1.00 5.98 N ATOM 1772 CZ ARG A 108 8.959 23.126 4.048 1.00 6.94 C ATOM 1773 NH1 ARG A 108 7.747 23.161 4.529 1.00 7.44 N ATOM 1774 NH2 ARG A 108 9.946 23.619 4.745 1.00 7.59 N ATOM 0 H ARG A 108 4.607 21.453 1.500 1.00 2.18 H new ATOM 0 HA ARG A 108 6.491 20.715 0.411 1.00 2.54 H new ATOM 0 HB2 ARG A 108 6.645 18.910 2.876 1.00 3.58 H new ATOM 0 HB3 ARG A 108 7.983 19.244 1.795 1.00 3.58 H new ATOM 0 HG2 ARG A 108 6.432 21.393 3.336 1.00 4.39 H new ATOM 0 HG3 ARG A 108 7.969 20.727 3.852 1.00 4.39 H new ATOM 0 HD2 ARG A 108 8.530 21.451 1.210 1.00 5.40 H new ATOM 0 HD3 ARG A 108 7.402 22.705 1.688 1.00 5.40 H new ATOM 0 HE ARG A 108 10.119 22.725 2.450 1.00 5.98 H new ATOM 0 HH11 ARG A 108 6.968 22.808 3.974 1.00 7.44 H new ATOM 0 HH12 ARG A 108 7.579 23.541 5.460 1.00 7.44 H new ATOM 0 HH21 ARG A 108 10.890 23.625 4.359 1.00 7.59 H new ATOM 0 HH22 ARG A 108 9.773 23.998 5.676 1.00 7.59 H new ATOM 1788 N ASN A 109 4.638 18.535 -0.279 1.00 2.11 N ATOM 1789 CA ASN A 109 4.326 17.313 -1.079 1.00 2.18 C ATOM 1790 C ASN A 109 4.688 17.556 -2.547 1.00 1.51 C ATOM 1791 O ASN A 109 5.233 18.583 -2.901 1.00 2.14 O ATOM 1792 CB ASN A 109 2.831 17.004 -0.968 1.00 2.98 C ATOM 1793 CG ASN A 109 2.402 17.086 0.498 1.00 3.48 C ATOM 1794 OD1 ASN A 109 2.901 16.354 1.330 1.00 3.96 O ATOM 1795 ND2 ASN A 109 1.492 17.951 0.851 1.00 3.98 N ATOM 0 H ASN A 109 3.877 19.211 -0.207 1.00 2.11 H new ATOM 0 HA ASN A 109 4.904 16.471 -0.698 1.00 2.18 H new ATOM 0 HB2 ASN A 109 2.257 17.711 -1.566 1.00 2.98 H new ATOM 0 HB3 ASN A 109 2.624 16.010 -1.364 1.00 2.98 H new ATOM 0 HD21 ASN A 109 1.199 18.013 1.826 1.00 3.98 H new ATOM 0 HD22 ASN A 109 1.074 18.565 0.152 1.00 3.98 H new ATOM 1802 N ASN A 110 4.386 16.614 -3.406 1.00 1.10 N ATOM 1803 CA ASN A 110 4.704 16.774 -4.860 1.00 1.20 C ATOM 1804 C ASN A 110 3.537 16.234 -5.689 1.00 0.86 C ATOM 1805 O ASN A 110 2.732 15.459 -5.212 1.00 0.83 O ATOM 1806 CB ASN A 110 5.974 15.989 -5.195 1.00 2.17 C ATOM 1807 CG ASN A 110 7.088 16.374 -4.220 1.00 2.97 C ATOM 1808 OD1 ASN A 110 7.747 15.518 -3.663 1.00 3.39 O ATOM 1809 ND2 ASN A 110 7.330 17.636 -3.988 1.00 3.76 N ATOM 0 H ASN A 110 3.930 15.735 -3.161 1.00 1.10 H new ATOM 0 HA ASN A 110 4.861 17.828 -5.088 1.00 1.20 H new ATOM 0 HB2 ASN A 110 5.778 14.918 -5.135 1.00 2.17 H new ATOM 0 HB3 ASN A 110 6.284 16.199 -6.219 1.00 2.17 H new ATOM 0 HD21 ASN A 110 8.071 17.902 -3.340 1.00 3.76 H new ATOM 0 HD22 ASN A 110 6.778 18.355 -4.455 1.00 3.76 H new ATOM 1816 N LYS A 111 3.420 16.659 -6.918 1.00 0.77 N ATOM 1817 CA LYS A 111 2.279 16.187 -7.761 1.00 0.66 C ATOM 1818 C LYS A 111 2.123 14.648 -7.711 1.00 0.57 C ATOM 1819 O LYS A 111 1.105 14.125 -8.118 1.00 0.57 O ATOM 1820 CB LYS A 111 2.465 16.652 -9.224 1.00 0.94 C ATOM 1821 CG LYS A 111 3.946 16.630 -9.641 1.00 1.52 C ATOM 1822 CD LYS A 111 4.573 15.266 -9.330 1.00 1.85 C ATOM 1823 CE LYS A 111 5.868 15.100 -10.132 1.00 2.32 C ATOM 1824 NZ LYS A 111 6.738 16.292 -9.926 1.00 3.06 N ATOM 0 H LYS A 111 4.060 17.309 -7.375 1.00 0.77 H new ATOM 0 HA LYS A 111 1.369 16.627 -7.354 1.00 0.66 H new ATOM 0 HB2 LYS A 111 1.890 16.006 -9.888 1.00 0.94 H new ATOM 0 HB3 LYS A 111 2.069 17.661 -9.339 1.00 0.94 H new ATOM 0 HG2 LYS A 111 4.033 16.842 -10.707 1.00 1.52 H new ATOM 0 HG3 LYS A 111 4.489 17.415 -9.115 1.00 1.52 H new ATOM 0 HD2 LYS A 111 4.781 15.185 -8.263 1.00 1.85 H new ATOM 0 HD3 LYS A 111 3.874 14.468 -9.580 1.00 1.85 H new ATOM 0 HE2 LYS A 111 6.390 14.197 -9.816 1.00 2.32 H new ATOM 0 HE3 LYS A 111 5.639 14.982 -11.191 1.00 2.32 H new ATOM 0 HZ1 LYS A 111 7.720 16.052 -10.172 1.00 3.06 H new ATOM 0 HZ2 LYS A 111 6.410 17.070 -10.532 1.00 3.06 H new ATOM 0 HZ3 LYS A 111 6.693 16.587 -8.930 1.00 3.06 H new ATOM 1838 N GLN A 112 3.091 13.909 -7.220 1.00 0.54 N ATOM 1839 CA GLN A 112 2.934 12.426 -7.165 1.00 0.49 C ATOM 1840 C GLN A 112 2.042 12.070 -5.973 1.00 0.39 C ATOM 1841 O GLN A 112 1.335 11.082 -5.982 1.00 0.37 O ATOM 1842 CB GLN A 112 4.324 11.772 -7.000 1.00 0.54 C ATOM 1843 CG GLN A 112 4.895 11.389 -8.370 1.00 1.05 C ATOM 1844 CD GLN A 112 6.302 10.813 -8.195 1.00 1.82 C ATOM 1845 OE1 GLN A 112 6.527 9.644 -8.439 1.00 2.54 O ATOM 1846 NE2 GLN A 112 7.265 11.589 -7.780 1.00 2.56 N ATOM 0 H GLN A 112 3.975 14.268 -6.859 1.00 0.54 H new ATOM 0 HA GLN A 112 2.477 12.060 -8.084 1.00 0.49 H new ATOM 0 HB2 GLN A 112 5.001 12.462 -6.496 1.00 0.54 H new ATOM 0 HB3 GLN A 112 4.245 10.886 -6.370 1.00 0.54 H new ATOM 0 HG2 GLN A 112 4.248 10.657 -8.853 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.927 12.264 -9.020 1.00 1.05 H new ATOM 0 HE21 GLN A 112 7.077 12.570 -7.575 1.00 2.56 H new ATOM 0 HE22 GLN A 112 8.206 11.214 -7.661 1.00 2.56 H new ATOM 1855 N VAL A 113 2.072 12.875 -4.951 1.00 0.37 N ATOM 1856 CA VAL A 113 1.230 12.600 -3.755 1.00 0.32 C ATOM 1857 C VAL A 113 -0.212 12.980 -4.077 1.00 0.32 C ATOM 1858 O VAL A 113 -1.131 12.211 -3.879 1.00 0.30 O ATOM 1859 CB VAL A 113 1.728 13.436 -2.574 1.00 0.35 C ATOM 1860 CG1 VAL A 113 0.999 13.006 -1.299 1.00 0.41 C ATOM 1861 CG2 VAL A 113 3.233 13.222 -2.395 1.00 0.40 C ATOM 0 H VAL A 113 2.646 13.716 -4.891 1.00 0.37 H new ATOM 0 HA VAL A 113 1.288 11.544 -3.493 1.00 0.32 H new ATOM 0 HB VAL A 113 1.530 14.490 -2.768 1.00 0.35 H new ATOM 0 HG11 VAL A 113 1.354 13.602 -0.458 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -0.073 13.158 -1.424 1.00 0.41 H new ATOM 0 HG13 VAL A 113 1.196 11.952 -1.105 1.00 0.41 H new ATOM 0 HG21 VAL A 113 3.588 13.818 -1.554 1.00 0.40 H new ATOM 0 HG22 VAL A 113 3.430 12.168 -2.202 1.00 0.40 H new ATOM 0 HG23 VAL A 113 3.754 13.528 -3.302 1.00 0.40 H new ATOM 1871 N GLY A 114 -0.412 14.166 -4.579 1.00 0.37 N ATOM 1872 CA GLY A 114 -1.793 14.602 -4.924 1.00 0.40 C ATOM 1873 C GLY A 114 -2.409 13.578 -5.875 1.00 0.38 C ATOM 1874 O GLY A 114 -3.593 13.309 -5.838 1.00 0.38 O ATOM 0 H GLY A 114 0.320 14.851 -4.765 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -2.398 14.690 -4.021 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -1.772 15.587 -5.391 1.00 0.40 H new ATOM 1878 N ALA A 115 -1.606 13.003 -6.726 1.00 0.38 N ATOM 1879 CA ALA A 115 -2.125 11.990 -7.686 1.00 0.38 C ATOM 1880 C ALA A 115 -2.344 10.657 -6.962 1.00 0.33 C ATOM 1881 O ALA A 115 -3.391 10.045 -7.084 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.122 11.813 -8.826 1.00 0.43 C ATOM 0 H ALA A 115 -0.606 13.193 -6.798 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.077 12.327 -8.096 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.499 11.072 -9.531 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -0.983 12.764 -9.340 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.167 11.476 -8.422 1.00 0.43 H new ATOM 1888 N LEU A 116 -1.394 10.197 -6.200 1.00 0.31 N ATOM 1889 CA LEU A 116 -1.611 8.910 -5.486 1.00 0.29 C ATOM 1890 C LEU A 116 -2.873 9.050 -4.634 1.00 0.26 C ATOM 1891 O LEU A 116 -3.725 8.184 -4.617 1.00 0.25 O ATOM 1892 CB LEU A 116 -0.405 8.596 -4.591 1.00 0.32 C ATOM 1893 CG LEU A 116 -0.648 7.299 -3.800 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -0.900 6.125 -4.762 1.00 0.49 C ATOM 1895 CD2 LEU A 116 0.585 7.003 -2.939 1.00 0.68 C ATOM 0 H LEU A 116 -0.492 10.646 -6.042 1.00 0.31 H new ATOM 0 HA LEU A 116 -1.726 8.096 -6.201 1.00 0.29 H new ATOM 0 HB2 LEU A 116 0.492 8.495 -5.201 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -0.230 9.422 -3.902 1.00 0.32 H new ATOM 0 HG LEU A 116 -1.525 7.423 -3.165 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.070 5.214 -4.188 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -1.777 6.338 -5.374 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.032 5.990 -5.407 1.00 0.49 H new ATOM 0 HD21 LEU A 116 0.422 6.085 -2.374 1.00 0.68 H new ATOM 0 HD22 LEU A 116 1.457 6.884 -3.582 1.00 0.68 H new ATOM 0 HD23 LEU A 116 0.753 7.829 -2.248 1.00 0.68 H new ATOM 1907 N LYS A 117 -2.996 10.141 -3.928 1.00 0.27 N ATOM 1908 CA LYS A 117 -4.200 10.348 -3.079 1.00 0.28 C ATOM 1909 C LYS A 117 -5.449 10.294 -3.961 1.00 0.28 C ATOM 1910 O LYS A 117 -6.521 9.930 -3.519 1.00 0.29 O ATOM 1911 CB LYS A 117 -4.106 11.719 -2.401 1.00 0.33 C ATOM 1912 CG LYS A 117 -5.295 11.921 -1.458 1.00 0.78 C ATOM 1913 CD LYS A 117 -5.046 13.158 -0.591 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.297 13.473 0.233 1.00 1.44 C ATOM 1915 NZ LYS A 117 -6.838 12.214 0.819 1.00 2.16 N ATOM 0 H LYS A 117 -2.313 10.898 -3.904 1.00 0.27 H new ATOM 0 HA LYS A 117 -4.259 9.570 -2.318 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -3.172 11.795 -1.843 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -4.092 12.506 -3.155 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -6.213 12.044 -2.032 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -5.428 11.042 -0.828 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -4.197 12.985 0.071 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -4.790 14.010 -1.221 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -6.054 14.180 1.026 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -7.050 13.946 -0.397 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -7.766 12.402 1.249 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -6.941 11.499 0.071 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -6.184 11.861 1.547 1.00 2.16 H new ATOM 1929 N SER A 118 -5.318 10.673 -5.207 1.00 0.29 N ATOM 1930 CA SER A 118 -6.493 10.667 -6.125 1.00 0.31 C ATOM 1931 C SER A 118 -6.972 9.235 -6.378 1.00 0.29 C ATOM 1932 O SER A 118 -8.139 9.006 -6.612 1.00 0.30 O ATOM 1933 CB SER A 118 -6.107 11.315 -7.455 1.00 0.34 C ATOM 1934 OG SER A 118 -7.286 11.599 -8.197 1.00 1.35 O ATOM 0 H SER A 118 -4.444 10.987 -5.628 1.00 0.29 H new ATOM 0 HA SER A 118 -7.301 11.231 -5.659 1.00 0.31 H new ATOM 0 HB2 SER A 118 -5.546 12.232 -7.277 1.00 0.34 H new ATOM 0 HB3 SER A 118 -5.457 10.649 -8.023 1.00 0.34 H new ATOM 0 HG SER A 118 -7.043 12.016 -9.050 1.00 1.35 H new ATOM 1940 N MET A 119 -6.105 8.259 -6.312 1.00 0.26 N ATOM 1941 CA MET A 119 -6.565 6.852 -6.532 1.00 0.25 C ATOM 1942 C MET A 119 -7.339 6.407 -5.286 1.00 0.23 C ATOM 1943 O MET A 119 -8.397 5.814 -5.362 1.00 0.24 O ATOM 1944 CB MET A 119 -5.344 5.945 -6.739 1.00 0.26 C ATOM 1945 CG MET A 119 -4.849 6.055 -8.184 1.00 0.61 C ATOM 1946 SD MET A 119 -4.253 7.742 -8.493 1.00 1.03 S ATOM 1947 CE MET A 119 -2.580 7.324 -9.051 1.00 0.69 C ATOM 0 H MET A 119 -5.110 8.370 -6.118 1.00 0.26 H new ATOM 0 HA MET A 119 -7.204 6.789 -7.413 1.00 0.25 H new ATOM 0 HB2 MET A 119 -4.548 6.230 -6.051 1.00 0.26 H new ATOM 0 HB3 MET A 119 -5.606 4.911 -6.513 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.048 5.337 -8.361 1.00 0.61 H new ATOM 0 HG3 MET A 119 -5.655 5.810 -8.875 1.00 0.61 H new ATOM 0 HE1 MET A 119 -2.039 8.238 -9.295 1.00 0.69 H new ATOM 0 HE2 MET A 119 -2.055 6.791 -8.258 1.00 0.69 H new ATOM 0 HE3 MET A 119 -2.639 6.691 -9.936 1.00 0.69 H new ATOM 1957 N VAL A 120 -6.813 6.735 -4.145 1.00 0.21 N ATOM 1958 CA VAL A 120 -7.473 6.406 -2.850 1.00 0.20 C ATOM 1959 C VAL A 120 -8.807 7.144 -2.718 1.00 0.22 C ATOM 1960 O VAL A 120 -9.821 6.547 -2.416 1.00 0.22 O ATOM 1961 CB VAL A 120 -6.565 6.875 -1.713 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.113 6.352 -0.382 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.152 6.332 -1.932 1.00 0.23 C ATOM 0 H VAL A 120 -5.927 7.232 -4.050 1.00 0.21 H new ATOM 0 HA VAL A 120 -7.649 5.331 -2.808 1.00 0.20 H new ATOM 0 HB VAL A 120 -6.535 7.964 -1.694 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.469 6.684 0.432 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.121 6.737 -0.227 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.140 5.263 -0.402 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -4.504 6.666 -1.122 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.179 5.242 -1.949 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -4.764 6.700 -2.882 1.00 0.23 H new ATOM 1973 N GLU A 121 -8.825 8.431 -2.918 1.00 0.25 N ATOM 1974 CA GLU A 121 -10.107 9.177 -2.772 1.00 0.29 C ATOM 1975 C GLU A 121 -11.046 8.827 -3.923 1.00 0.28 C ATOM 1976 O GLU A 121 -12.242 8.732 -3.750 1.00 0.31 O ATOM 1977 CB GLU A 121 -9.831 10.682 -2.777 1.00 0.35 C ATOM 1978 CG GLU A 121 -9.192 11.091 -1.448 1.00 1.07 C ATOM 1979 CD GLU A 121 -9.081 12.614 -1.384 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -8.585 13.192 -2.338 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -9.493 13.177 -0.384 1.00 2.20 O ATOM 0 H GLU A 121 -8.015 8.996 -3.174 1.00 0.25 H new ATOM 0 HA GLU A 121 -10.576 8.897 -1.829 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -9.169 10.938 -3.604 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -10.760 11.232 -2.930 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -9.792 10.724 -0.615 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -8.205 10.639 -1.353 1.00 1.07 H new ATOM 1988 N ASP A 122 -10.521 8.629 -5.095 1.00 0.28 N ATOM 1989 CA ASP A 122 -11.405 8.284 -6.237 1.00 0.30 C ATOM 1990 C ASP A 122 -12.042 6.917 -5.986 1.00 0.28 C ATOM 1991 O ASP A 122 -13.144 6.655 -6.415 1.00 0.31 O ATOM 1992 CB ASP A 122 -10.589 8.249 -7.533 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.492 7.844 -8.698 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.612 6.656 -8.945 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -12.047 8.731 -9.326 1.00 1.92 O ATOM 0 H ASP A 122 -9.526 8.690 -5.311 1.00 0.28 H new ATOM 0 HA ASP A 122 -12.187 9.037 -6.333 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.149 9.228 -7.724 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -9.765 7.543 -7.436 1.00 0.34 H new ATOM 2000 N LYS A 123 -11.356 6.037 -5.305 1.00 0.27 N ATOM 2001 CA LYS A 123 -11.923 4.681 -5.047 1.00 0.27 C ATOM 2002 C LYS A 123 -12.926 4.716 -3.885 1.00 0.26 C ATOM 2003 O LYS A 123 -13.891 3.977 -3.881 1.00 0.28 O ATOM 2004 CB LYS A 123 -10.777 3.719 -4.693 1.00 0.27 C ATOM 2005 CG LYS A 123 -10.032 3.282 -5.970 1.00 0.93 C ATOM 2006 CD LYS A 123 -10.715 2.058 -6.594 1.00 1.10 C ATOM 2007 CE LYS A 123 -9.895 1.575 -7.792 1.00 1.43 C ATOM 2008 NZ LYS A 123 -10.618 0.466 -8.475 1.00 1.95 N ATOM 0 H LYS A 123 -10.427 6.199 -4.916 1.00 0.27 H new ATOM 0 HA LYS A 123 -12.443 4.344 -5.944 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.083 4.206 -4.007 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.173 2.844 -4.178 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -10.015 4.102 -6.688 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -8.995 3.046 -5.731 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.804 1.261 -5.855 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.726 2.314 -6.911 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -9.729 2.398 -8.488 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -8.914 1.234 -7.461 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -10.061 0.138 -9.289 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -10.755 -0.321 -7.809 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.544 0.806 -8.804 1.00 1.95 H new ATOM 2022 N ILE A 124 -12.727 5.558 -2.899 1.00 0.27 N ATOM 2023 CA ILE A 124 -13.704 5.590 -1.767 1.00 0.29 C ATOM 2024 C ILE A 124 -14.929 6.413 -2.186 1.00 0.35 C ATOM 2025 O ILE A 124 -16.024 6.206 -1.701 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.049 6.193 -0.520 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -11.943 5.256 -0.021 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.100 6.354 0.576 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.109 5.959 1.058 1.00 0.30 C ATOM 0 H ILE A 124 -11.947 6.212 -2.829 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.019 4.575 -1.526 1.00 0.29 H new ATOM 0 HB ILE A 124 -12.623 7.165 -0.768 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.382 4.344 0.383 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.303 4.960 -0.852 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.636 6.783 1.464 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -14.893 7.015 0.226 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.522 5.379 0.821 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.325 5.287 1.408 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -10.656 6.858 0.640 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.752 6.232 1.894 1.00 0.30 H new ATOM 2041 N GLN A 125 -14.755 7.325 -3.104 1.00 0.35 N ATOM 2042 CA GLN A 125 -15.895 8.154 -3.595 1.00 0.40 C ATOM 2043 C GLN A 125 -16.617 7.426 -4.738 1.00 0.43 C ATOM 2044 O GLN A 125 -17.828 7.327 -4.755 1.00 0.54 O ATOM 2045 CB GLN A 125 -15.337 9.490 -4.125 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.222 10.511 -2.984 1.00 1.22 C ATOM 2047 CD GLN A 125 -14.518 9.881 -1.779 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -13.351 9.554 -1.844 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.184 9.701 -0.672 1.00 2.64 N ATOM 0 H GLN A 125 -13.858 7.534 -3.541 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.598 8.329 -2.781 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -14.359 9.329 -4.578 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.989 9.880 -4.906 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -14.666 11.385 -3.323 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -16.214 10.857 -2.695 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.165 9.976 -0.617 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -14.724 9.286 0.138 1.00 2.64 H new ATOM 2058 N LYS A 126 -15.887 6.954 -5.711 1.00 0.65 N ATOM 2059 CA LYS A 126 -16.537 6.279 -6.870 1.00 1.01 C ATOM 2060 C LYS A 126 -17.122 4.925 -6.475 1.00 1.25 C ATOM 2061 O LYS A 126 -17.895 4.349 -7.215 1.00 1.67 O ATOM 2062 CB LYS A 126 -15.505 6.048 -7.980 1.00 1.37 C ATOM 2063 CG LYS A 126 -14.934 7.393 -8.463 1.00 1.43 C ATOM 2064 CD LYS A 126 -15.913 8.079 -9.430 1.00 1.89 C ATOM 2065 CE LYS A 126 -15.221 9.269 -10.097 1.00 1.98 C ATOM 2066 NZ LYS A 126 -14.198 8.774 -11.060 1.00 2.69 N ATOM 0 H LYS A 126 -14.869 7.006 -5.754 1.00 0.65 H new ATOM 0 HA LYS A 126 -17.342 6.927 -7.216 1.00 1.01 H new ATOM 0 HB2 LYS A 126 -14.699 5.414 -7.611 1.00 1.37 H new ATOM 0 HB3 LYS A 126 -15.969 5.521 -8.814 1.00 1.37 H new ATOM 0 HG2 LYS A 126 -14.744 8.042 -7.608 1.00 1.43 H new ATOM 0 HG3 LYS A 126 -13.977 7.231 -8.959 1.00 1.43 H new ATOM 0 HD2 LYS A 126 -16.251 7.370 -10.186 1.00 1.89 H new ATOM 0 HD3 LYS A 126 -16.798 8.415 -8.890 1.00 1.89 H new ATOM 0 HE2 LYS A 126 -15.955 9.886 -10.615 1.00 1.98 H new ATOM 0 HE3 LYS A 126 -14.750 9.899 -9.342 1.00 1.98 H new ATOM 0 HZ1 LYS A 126 -14.108 9.447 -11.847 1.00 2.69 H new ATOM 0 HZ2 LYS A 126 -13.282 8.682 -10.576 1.00 2.69 H new ATOM 0 HZ3 LYS A 126 -14.489 7.846 -11.429 1.00 2.69 H new ATOM 2080 N GLU A 127 -16.752 4.376 -5.341 1.00 1.12 N ATOM 2081 CA GLU A 127 -17.305 3.032 -4.991 1.00 1.55 C ATOM 2082 C GLU A 127 -18.749 3.213 -4.516 1.00 1.69 C ATOM 2083 O GLU A 127 -19.516 2.275 -4.435 1.00 2.06 O ATOM 2084 CB GLU A 127 -16.451 2.382 -3.889 1.00 1.61 C ATOM 2085 CG GLU A 127 -15.247 1.655 -4.505 1.00 1.66 C ATOM 2086 CD GLU A 127 -15.688 0.294 -5.051 1.00 2.28 C ATOM 2087 OE1 GLU A 127 -16.407 -0.398 -4.349 1.00 2.61 O ATOM 2088 OE2 GLU A 127 -15.299 -0.032 -6.160 1.00 3.00 O ATOM 0 H GLU A 127 -16.111 4.787 -4.662 1.00 1.12 H new ATOM 0 HA GLU A 127 -17.285 2.378 -5.863 1.00 1.55 H new ATOM 0 HB2 GLU A 127 -16.106 3.144 -3.191 1.00 1.61 H new ATOM 0 HB3 GLU A 127 -17.056 1.678 -3.318 1.00 1.61 H new ATOM 0 HG2 GLU A 127 -14.818 2.257 -5.306 1.00 1.66 H new ATOM 0 HG3 GLU A 127 -14.468 1.521 -3.754 1.00 1.66 H new ATOM 2095 N THR A 128 -19.112 4.427 -4.196 1.00 1.49 N ATOM 2096 CA THR A 128 -20.494 4.703 -3.716 1.00 1.74 C ATOM 2097 C THR A 128 -21.475 4.587 -4.882 1.00 2.38 C ATOM 2098 O THR A 128 -22.348 5.414 -5.055 1.00 2.92 O ATOM 2099 CB THR A 128 -20.554 6.119 -3.139 1.00 1.89 C ATOM 2100 OG1 THR A 128 -20.322 7.062 -4.177 1.00 2.46 O ATOM 2101 CG2 THR A 128 -19.486 6.278 -2.056 1.00 2.41 C ATOM 0 H THR A 128 -18.504 5.244 -4.248 1.00 1.49 H new ATOM 0 HA THR A 128 -20.763 3.981 -2.945 1.00 1.74 H new ATOM 0 HB THR A 128 -21.538 6.292 -2.703 1.00 1.89 H new ATOM 0 HG1 THR A 128 -19.476 6.853 -4.626 1.00 2.46 H new ATOM 0 HG21 THR A 128 -19.531 7.287 -1.646 1.00 2.41 H new ATOM 0 HG22 THR A 128 -19.665 5.555 -1.260 1.00 2.41 H new ATOM 0 HG23 THR A 128 -18.501 6.105 -2.489 1.00 2.41 H new ATOM 2109 N LEU A 129 -21.340 3.562 -5.683 1.00 2.91 N ATOM 2110 CA LEU A 129 -22.265 3.378 -6.843 1.00 3.76 C ATOM 2111 C LEU A 129 -23.370 2.393 -6.449 1.00 3.99 C ATOM 2112 O LEU A 129 -23.935 1.711 -7.280 1.00 4.43 O ATOM 2113 CB LEU A 129 -21.480 2.840 -8.052 1.00 4.48 C ATOM 2114 CG LEU A 129 -20.385 1.870 -7.588 1.00 5.08 C ATOM 2115 CD1 LEU A 129 -21.011 0.705 -6.811 1.00 5.76 C ATOM 2116 CD2 LEU A 129 -19.644 1.328 -8.814 1.00 5.70 C ATOM 0 H LEU A 129 -20.626 2.841 -5.584 1.00 2.91 H new ATOM 0 HA LEU A 129 -22.713 4.334 -7.115 1.00 3.76 H new ATOM 0 HB2 LEU A 129 -22.158 2.332 -8.738 1.00 4.48 H new ATOM 0 HB3 LEU A 129 -21.033 3.668 -8.601 1.00 4.48 H new ATOM 0 HG LEU A 129 -19.688 2.396 -6.936 1.00 5.08 H new ATOM 0 HD11 LEU A 129 -20.227 0.022 -6.486 1.00 5.76 H new ATOM 0 HD12 LEU A 129 -21.540 1.091 -5.940 1.00 5.76 H new ATOM 0 HD13 LEU A 129 -21.712 0.173 -7.455 1.00 5.76 H new ATOM 0 HD21 LEU A 129 -18.864 0.638 -8.492 1.00 5.70 H new ATOM 0 HD22 LEU A 129 -20.347 0.805 -9.462 1.00 5.70 H new ATOM 0 HD23 LEU A 129 -19.193 2.155 -9.362 1.00 5.70 H new ATOM 2128 N LYS A 130 -23.685 2.325 -5.182 1.00 4.26 N ATOM 2129 CA LYS A 130 -24.756 1.398 -4.718 1.00 5.01 C ATOM 2130 C LYS A 130 -24.410 -0.040 -5.123 1.00 5.21 C ATOM 2131 O LYS A 130 -23.929 -0.818 -4.323 1.00 5.67 O ATOM 2132 CB LYS A 130 -26.097 1.806 -5.339 1.00 5.74 C ATOM 2133 CG LYS A 130 -26.279 3.324 -5.234 1.00 6.32 C ATOM 2134 CD LYS A 130 -26.243 3.753 -3.763 1.00 7.29 C ATOM 2135 CE LYS A 130 -26.820 5.165 -3.626 1.00 7.78 C ATOM 2136 NZ LYS A 130 -26.629 5.647 -2.228 1.00 8.42 N ATOM 0 H LYS A 130 -23.243 2.875 -4.446 1.00 4.26 H new ATOM 0 HA LYS A 130 -24.833 1.453 -3.632 1.00 5.01 H new ATOM 0 HB2 LYS A 130 -26.133 1.498 -6.384 1.00 5.74 H new ATOM 0 HB3 LYS A 130 -26.914 1.297 -4.828 1.00 5.74 H new ATOM 0 HG2 LYS A 130 -25.491 3.833 -5.790 1.00 6.32 H new ATOM 0 HG3 LYS A 130 -27.227 3.617 -5.684 1.00 6.32 H new ATOM 0 HD2 LYS A 130 -26.818 3.054 -3.156 1.00 7.29 H new ATOM 0 HD3 LYS A 130 -25.218 3.730 -3.392 1.00 7.29 H new ATOM 0 HE2 LYS A 130 -26.327 5.840 -4.325 1.00 7.78 H new ATOM 0 HE3 LYS A 130 -27.880 5.162 -3.879 1.00 7.78 H new ATOM 0 HZ1 LYS A 130 -27.021 6.606 -2.135 1.00 8.42 H new ATOM 0 HZ2 LYS A 130 -27.119 5.007 -1.570 1.00 8.42 H new ATOM 0 HZ3 LYS A 130 -25.614 5.664 -2.002 1.00 8.42 H new ATOM 2150 N GLY A 131 -24.652 -0.401 -6.355 1.00 5.31 N ATOM 2151 CA GLY A 131 -24.338 -1.789 -6.804 1.00 5.94 C ATOM 2152 C GLY A 131 -25.215 -2.143 -8.005 1.00 6.20 C ATOM 2153 O GLY A 131 -24.744 -2.657 -9.000 1.00 6.51 O ATOM 0 H GLY A 131 -25.054 0.205 -7.070 1.00 5.31 H new ATOM 0 HA2 GLY A 131 -23.285 -1.867 -7.073 1.00 5.94 H new ATOM 0 HA3 GLY A 131 -24.512 -2.494 -5.992 1.00 5.94 H new ATOM 2157 N VAL A 132 -26.489 -1.871 -7.920 1.00 6.39 N ATOM 2158 CA VAL A 132 -27.396 -2.190 -9.058 1.00 6.87 C ATOM 2159 C VAL A 132 -27.202 -1.157 -10.169 1.00 7.31 C ATOM 2160 O VAL A 132 -27.384 0.027 -9.964 1.00 7.54 O ATOM 2161 CB VAL A 132 -28.848 -2.155 -8.578 1.00 7.38 C ATOM 2162 CG1 VAL A 132 -29.776 -2.551 -9.727 1.00 7.84 C ATOM 2163 CG2 VAL A 132 -29.025 -3.137 -7.418 1.00 7.83 C ATOM 0 H VAL A 132 -26.940 -1.442 -7.112 1.00 6.39 H new ATOM 0 HA VAL A 132 -27.163 -3.184 -9.441 1.00 6.87 H new ATOM 0 HB VAL A 132 -29.095 -1.148 -8.243 1.00 7.38 H new ATOM 0 HG11 VAL A 132 -30.810 -2.526 -9.384 1.00 7.84 H new ATOM 0 HG12 VAL A 132 -29.650 -1.852 -10.554 1.00 7.84 H new ATOM 0 HG13 VAL A 132 -29.530 -3.558 -10.063 1.00 7.84 H new ATOM 0 HG21 VAL A 132 -30.059 -3.113 -7.075 1.00 7.83 H new ATOM 0 HG22 VAL A 132 -28.777 -4.144 -7.753 1.00 7.83 H new ATOM 0 HG23 VAL A 132 -28.365 -2.855 -6.598 1.00 7.83 H new ATOM 2173 N VAL A 133 -26.832 -1.601 -11.346 1.00 7.71 N ATOM 2174 CA VAL A 133 -26.618 -0.661 -12.493 1.00 8.45 C ATOM 2175 C VAL A 133 -27.559 -1.040 -13.638 1.00 8.66 C ATOM 2176 O VAL A 133 -27.818 -0.254 -14.528 1.00 8.87 O ATOM 2177 CB VAL A 133 -25.170 -0.772 -12.974 1.00 9.00 C ATOM 2178 CG1 VAL A 133 -24.956 0.158 -14.169 1.00 9.52 C ATOM 2179 CG2 VAL A 133 -24.225 -0.369 -11.840 1.00 9.12 C ATOM 0 H VAL A 133 -26.667 -2.584 -11.564 1.00 7.71 H new ATOM 0 HA VAL A 133 -26.821 0.361 -12.172 1.00 8.45 H new ATOM 0 HB VAL A 133 -24.964 -1.800 -13.272 1.00 9.00 H new ATOM 0 HG11 VAL A 133 -23.924 0.079 -14.512 1.00 9.52 H new ATOM 0 HG12 VAL A 133 -25.630 -0.127 -14.977 1.00 9.52 H new ATOM 0 HG13 VAL A 133 -25.161 1.186 -13.871 1.00 9.52 H new ATOM 0 HG21 VAL A 133 -23.193 -0.448 -12.181 1.00 9.12 H new ATOM 0 HG22 VAL A 133 -24.431 0.659 -11.542 1.00 9.12 H new ATOM 0 HG23 VAL A 133 -24.377 -1.031 -10.987 1.00 9.12 H new ATOM 2189 N VAL A 134 -28.074 -2.239 -13.622 1.00 8.83 N ATOM 2190 CA VAL A 134 -28.997 -2.667 -14.710 1.00 9.26 C ATOM 2191 C VAL A 134 -30.226 -1.755 -14.725 1.00 9.25 C ATOM 2192 O VAL A 134 -30.627 -1.220 -13.711 1.00 9.26 O ATOM 2193 CB VAL A 134 -29.436 -4.112 -14.466 1.00 9.44 C ATOM 2194 CG1 VAL A 134 -30.372 -4.559 -15.590 1.00 10.00 C ATOM 2195 CG2 VAL A 134 -28.204 -5.019 -14.439 1.00 9.45 C ATOM 0 H VAL A 134 -27.895 -2.940 -12.903 1.00 8.83 H new ATOM 0 HA VAL A 134 -28.484 -2.600 -15.670 1.00 9.26 H new ATOM 0 HB VAL A 134 -29.959 -4.177 -13.512 1.00 9.44 H new ATOM 0 HG11 VAL A 134 -30.684 -5.589 -15.416 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -31.249 -3.912 -15.612 1.00 10.00 H new ATOM 0 HG13 VAL A 134 -29.850 -4.495 -16.545 1.00 10.00 H new ATOM 0 HG21 VAL A 134 -28.514 -6.049 -14.265 1.00 9.45 H new ATOM 0 HG22 VAL A 134 -27.683 -4.953 -15.394 1.00 9.45 H new ATOM 0 HG23 VAL A 134 -27.536 -4.701 -13.638 1.00 9.45 H new ATOM 2205 N ALA A 135 -30.825 -1.573 -15.870 1.00 9.49 N ATOM 2206 CA ALA A 135 -32.025 -0.694 -15.953 1.00 9.78 C ATOM 2207 C ALA A 135 -33.158 -1.290 -15.114 1.00 10.09 C ATOM 2208 O ALA A 135 -32.972 -2.247 -14.390 1.00 10.21 O ATOM 2209 CB ALA A 135 -32.476 -0.583 -17.411 1.00 10.09 C ATOM 0 H ALA A 135 -30.535 -1.995 -16.752 1.00 9.49 H new ATOM 0 HA ALA A 135 -31.774 0.296 -15.572 1.00 9.78 H new ATOM 0 HB1 ALA A 135 -33.354 0.060 -17.472 1.00 10.09 H new ATOM 0 HB2 ALA A 135 -31.671 -0.156 -18.009 1.00 10.09 H new ATOM 0 HB3 ALA A 135 -32.725 -1.574 -17.791 1.00 10.09 H new ATOM 2215 N GLY A 136 -34.333 -0.729 -15.209 1.00 10.42 N ATOM 2216 CA GLY A 136 -35.481 -1.259 -14.420 1.00 10.92 C ATOM 2217 C GLY A 136 -36.770 -0.573 -14.879 1.00 10.81 C ATOM 2218 O GLY A 136 -36.995 -0.380 -16.057 1.00 10.79 O ATOM 0 H GLY A 136 -34.547 0.074 -15.800 1.00 10.42 H new ATOM 0 HA2 GLY A 136 -35.562 -2.338 -14.554 1.00 10.92 H new ATOM 0 HA3 GLY A 136 -35.319 -1.081 -13.357 1.00 10.92 H new ATOM 2222 N GLY A 137 -37.619 -0.203 -13.957 1.00 10.95 N ATOM 2223 CA GLY A 137 -38.895 0.474 -14.338 1.00 11.08 C ATOM 2224 C GLY A 137 -39.969 0.161 -13.295 1.00 10.93 C ATOM 2225 O GLY A 137 -39.929 0.652 -12.184 1.00 10.97 O ATOM 0 H GLY A 137 -37.484 -0.340 -12.955 1.00 10.95 H new ATOM 0 HA2 GLY A 137 -38.742 1.551 -14.406 1.00 11.08 H new ATOM 0 HA3 GLY A 137 -39.219 0.136 -15.322 1.00 11.08 H new ATOM 2229 N VAL A 138 -40.929 -0.657 -13.650 1.00 10.96 N ATOM 2230 CA VAL A 138 -42.023 -1.022 -12.694 1.00 11.02 C ATOM 2231 C VAL A 138 -42.152 -2.546 -12.639 1.00 11.10 C ATOM 2232 O VAL A 138 -41.898 -3.235 -13.607 1.00 11.23 O ATOM 2233 CB VAL A 138 -43.342 -0.418 -13.180 1.00 11.24 C ATOM 2234 CG1 VAL A 138 -43.637 -0.907 -14.599 1.00 11.29 C ATOM 2235 CG2 VAL A 138 -44.474 -0.852 -12.247 1.00 11.73 C ATOM 0 H VAL A 138 -41.003 -1.092 -14.570 1.00 10.96 H new ATOM 0 HA VAL A 138 -41.790 -0.636 -11.701 1.00 11.02 H new ATOM 0 HB VAL A 138 -43.265 0.669 -13.180 1.00 11.24 H new ATOM 0 HG11 VAL A 138 -44.577 -0.476 -14.944 1.00 11.29 H new ATOM 0 HG12 VAL A 138 -42.831 -0.600 -15.265 1.00 11.29 H new ATOM 0 HG13 VAL A 138 -43.714 -1.994 -14.600 1.00 11.29 H new ATOM 0 HG21 VAL A 138 -45.415 -0.422 -12.592 1.00 11.73 H new ATOM 0 HG22 VAL A 138 -44.550 -1.939 -12.248 1.00 11.73 H new ATOM 0 HG23 VAL A 138 -44.265 -0.504 -11.235 1.00 11.73 H new ATOM 2245 N HIS A 139 -42.540 -3.077 -11.512 1.00 11.24 N ATOM 2246 CA HIS A 139 -42.681 -4.556 -11.395 1.00 11.56 C ATOM 2247 C HIS A 139 -41.396 -5.230 -11.883 1.00 11.58 C ATOM 2248 O HIS A 139 -41.208 -5.452 -13.062 1.00 11.58 O ATOM 2249 CB HIS A 139 -43.861 -5.028 -12.247 1.00 11.70 C ATOM 2250 CG HIS A 139 -45.139 -4.471 -11.684 1.00 12.07 C ATOM 2251 ND1 HIS A 139 -46.367 -4.675 -12.294 1.00 12.47 N ATOM 2252 CD2 HIS A 139 -45.396 -3.715 -10.567 1.00 12.33 C ATOM 2253 CE1 HIS A 139 -47.298 -4.053 -11.548 1.00 12.93 C ATOM 2254 NE2 HIS A 139 -46.760 -3.452 -10.484 1.00 12.88 N ATOM 0 H HIS A 139 -42.765 -2.551 -10.668 1.00 11.24 H new ATOM 0 HA HIS A 139 -42.859 -4.822 -10.353 1.00 11.56 H new ATOM 0 HB2 HIS A 139 -43.732 -4.701 -13.279 1.00 11.70 H new ATOM 0 HB3 HIS A 139 -43.901 -6.117 -12.261 1.00 11.70 H new ATOM 0 HD2 HIS A 139 -44.653 -3.376 -9.860 1.00 12.33 H new ATOM 0 HE1 HIS A 139 -48.352 -4.041 -11.781 1.00 12.93 H new ATOM 0 HE2 HIS A 139 -47.245 -2.915 -9.765 1.00 12.88 H new ATOM 2262 N HIS A 140 -40.509 -5.558 -10.981 1.00 11.84 N ATOM 2263 CA HIS A 140 -39.233 -6.219 -11.386 1.00 12.12 C ATOM 2264 C HIS A 140 -38.692 -7.033 -10.209 1.00 12.14 C ATOM 2265 O HIS A 140 -37.528 -7.379 -10.163 1.00 12.31 O ATOM 2266 CB HIS A 140 -38.208 -5.153 -11.780 1.00 12.66 C ATOM 2267 CG HIS A 140 -38.622 -4.510 -13.075 1.00 12.85 C ATOM 2268 ND1 HIS A 140 -38.491 -5.154 -14.295 1.00 13.12 N ATOM 2269 CD2 HIS A 140 -39.163 -3.280 -13.356 1.00 13.01 C ATOM 2270 CE1 HIS A 140 -38.945 -4.317 -15.246 1.00 13.43 C ATOM 2271 NE2 HIS A 140 -39.366 -3.160 -14.728 1.00 13.38 N ATOM 0 H HIS A 140 -40.613 -5.396 -9.979 1.00 11.84 H new ATOM 0 HA HIS A 140 -39.416 -6.877 -12.235 1.00 12.12 H new ATOM 0 HB2 HIS A 140 -38.132 -4.400 -10.996 1.00 12.66 H new ATOM 0 HB3 HIS A 140 -37.221 -5.604 -11.885 1.00 12.66 H new ATOM 0 HD1 HIS A 140 -38.118 -6.092 -14.445 1.00 13.12 H new ATOM 0 HD2 HIS A 140 -39.396 -2.521 -12.624 1.00 13.01 H new ATOM 0 HE1 HIS A 140 -38.966 -4.552 -16.300 1.00 13.43 H new ATOM 2279 N HIS A 141 -39.528 -7.341 -9.256 1.00 12.15 N ATOM 2280 CA HIS A 141 -39.063 -8.131 -8.081 1.00 12.34 C ATOM 2281 C HIS A 141 -38.737 -9.559 -8.522 1.00 12.56 C ATOM 2282 O HIS A 141 -37.596 -9.899 -8.763 1.00 12.54 O ATOM 2283 CB HIS A 141 -40.166 -8.162 -7.021 1.00 12.27 C ATOM 2284 CG HIS A 141 -40.501 -6.757 -6.604 1.00 12.29 C ATOM 2285 ND1 HIS A 141 -41.794 -6.261 -6.651 1.00 12.49 N ATOM 2286 CD2 HIS A 141 -39.722 -5.730 -6.131 1.00 12.37 C ATOM 2287 CE1 HIS A 141 -41.756 -4.988 -6.217 1.00 12.67 C ATOM 2288 NE2 HIS A 141 -40.517 -4.614 -5.887 1.00 12.62 N ATOM 0 H HIS A 141 -40.514 -7.080 -9.240 1.00 12.15 H new ATOM 0 HA HIS A 141 -38.169 -7.669 -7.662 1.00 12.34 H new ATOM 0 HB2 HIS A 141 -41.053 -8.656 -7.418 1.00 12.27 H new ATOM 0 HB3 HIS A 141 -39.839 -8.741 -6.157 1.00 12.27 H new ATOM 0 HD2 HIS A 141 -38.655 -5.781 -5.972 1.00 12.37 H new ATOM 0 HE1 HIS A 141 -42.622 -4.347 -6.144 1.00 12.67 H new ATOM 0 HE2 HIS A 141 -40.218 -3.706 -5.532 1.00 12.62 H new ATOM 2296 N HIS A 142 -39.730 -10.399 -8.628 1.00 12.97 N ATOM 2297 CA HIS A 142 -39.476 -11.804 -9.052 1.00 13.40 C ATOM 2298 C HIS A 142 -40.802 -12.476 -9.414 1.00 13.78 C ATOM 2299 O HIS A 142 -40.830 -13.544 -9.992 1.00 13.99 O ATOM 2300 CB HIS A 142 -38.813 -12.570 -7.904 1.00 13.68 C ATOM 2301 CG HIS A 142 -38.412 -13.939 -8.380 1.00 13.93 C ATOM 2302 ND1 HIS A 142 -37.576 -14.128 -9.469 1.00 14.12 N ATOM 2303 CD2 HIS A 142 -38.725 -15.197 -7.925 1.00 14.22 C ATOM 2304 CE1 HIS A 142 -37.415 -15.454 -9.632 1.00 14.49 C ATOM 2305 NE2 HIS A 142 -38.094 -16.151 -8.717 1.00 14.57 N ATOM 0 H HIS A 142 -40.706 -10.172 -8.439 1.00 12.97 H new ATOM 0 HA HIS A 142 -38.818 -11.808 -9.921 1.00 13.40 H new ATOM 0 HB2 HIS A 142 -37.938 -12.027 -7.548 1.00 13.68 H new ATOM 0 HB3 HIS A 142 -39.501 -12.653 -7.063 1.00 13.68 H new ATOM 0 HD2 HIS A 142 -39.364 -15.412 -7.081 1.00 14.22 H new ATOM 0 HE1 HIS A 142 -36.811 -15.900 -10.408 1.00 14.49 H new ATOM 0 HE2 HIS A 142 -38.140 -17.165 -8.620 1.00 14.57 H new ATOM 2313 N HIS A 143 -41.901 -11.857 -9.079 1.00 14.05 N ATOM 2314 CA HIS A 143 -43.224 -12.460 -9.405 1.00 14.61 C ATOM 2315 C HIS A 143 -44.317 -11.399 -9.261 1.00 14.84 C ATOM 2316 O HIS A 143 -44.989 -11.319 -8.252 1.00 15.15 O ATOM 2317 CB HIS A 143 -43.507 -13.618 -8.445 1.00 15.10 C ATOM 2318 CG HIS A 143 -44.791 -14.294 -8.841 1.00 15.48 C ATOM 2319 ND1 HIS A 143 -46.015 -13.646 -8.791 1.00 15.71 N ATOM 2320 CD2 HIS A 143 -45.057 -15.562 -9.295 1.00 15.83 C ATOM 2321 CE1 HIS A 143 -46.953 -14.517 -9.204 1.00 16.18 C ATOM 2322 NE2 HIS A 143 -46.423 -15.701 -9.525 1.00 16.28 N ATOM 0 H HIS A 143 -41.940 -10.961 -8.594 1.00 14.05 H new ATOM 0 HA HIS A 143 -43.212 -12.832 -10.429 1.00 14.61 H new ATOM 0 HB2 HIS A 143 -42.685 -14.333 -8.468 1.00 15.10 H new ATOM 0 HB3 HIS A 143 -43.579 -13.248 -7.422 1.00 15.10 H new ATOM 0 HD1 HIS A 143 -46.175 -12.683 -8.495 1.00 15.71 H new ATOM 0 HD2 HIS A 143 -44.318 -16.335 -9.450 1.00 15.83 H new ATOM 0 HE1 HIS A 143 -48.006 -14.287 -9.268 1.00 16.18 H new ATOM 2330 N HIS A 144 -44.500 -10.583 -10.263 1.00 14.86 N ATOM 2331 CA HIS A 144 -45.549 -9.528 -10.182 1.00 15.27 C ATOM 2332 C HIS A 144 -45.349 -8.707 -8.906 1.00 15.55 C ATOM 2333 O HIS A 144 -46.289 -8.047 -8.497 1.00 15.64 O ATOM 2334 CB HIS A 144 -46.931 -10.184 -10.156 1.00 15.46 C ATOM 2335 CG HIS A 144 -47.990 -9.130 -10.328 1.00 15.63 C ATOM 2336 ND1 HIS A 144 -49.057 -9.006 -9.453 1.00 15.72 N ATOM 2337 CD2 HIS A 144 -48.159 -8.145 -11.268 1.00 15.90 C ATOM 2338 CE1 HIS A 144 -49.815 -7.979 -9.881 1.00 16.03 C ATOM 2339 NE2 HIS A 144 -49.312 -7.419 -10.984 1.00 16.15 N ATOM 2340 OXT HIS A 144 -44.258 -8.753 -8.360 1.00 15.80 O ATOM 0 H HIS A 144 -43.969 -10.601 -11.134 1.00 14.86 H new ATOM 0 HA HIS A 144 -45.474 -8.873 -11.050 1.00 15.27 H new ATOM 0 HB2 HIS A 144 -47.008 -10.925 -10.951 1.00 15.46 H new ATOM 0 HB3 HIS A 144 -47.077 -10.711 -9.213 1.00 15.46 H new ATOM 0 HD2 HIS A 144 -47.498 -7.961 -12.102 1.00 15.90 H new ATOM 0 HE1 HIS A 144 -50.719 -7.648 -9.392 1.00 16.03 H new ATOM 0 HE2 HIS A 144 -49.691 -6.629 -11.506 1.00 16.15 H new TER 2348 HIS A 144