USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 660 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 70 LYS NZ :NH3+ -110:sc= -5.07! (180deg=-4.04!) USER MOD Set 1.2: A 71 GLN : amide:sc= -3.54! K(o=-8.6!,f=-0.23) USER MOD Set 2.1: A 3 CYS SG : rot -91:sc= -11.3! USER MOD Set 2.2: A 16 CYS SG : rot 115:sc= -5.27! USER MOD Set 2.3: A 23 CYS SG : rot -101:sc= -13.7! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -12! USER MOD Set 2.5: A 60 CYS SG : rot -41:sc= -21.3! USER MOD Set 2.6: A 62 THR OG1 : rot 55:sc= -1.69! USER MOD Set 2.7: A 65 CYS SG : rot 17:sc= -27.1! USER MOD Set 2.8: A 66 ASN : amide:sc= -11.3! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -42:sc= -0.291! USER MOD Set 3.2: A 59 CYS SG : rot 136:sc= -8.78! USER MOD Set 4.1: A 29 CYS SG : rot -136:sc= -3.43! USER MOD Set 4.2: A 33 CYS SG : rot -57:sc= 1.56! USER MOD Set 5.1: A 5 THR OG1 : rot -26:sc= 1.22! USER MOD Set 5.2: A 8 THR OG1 : rot 75:sc= -1.29 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 1 ILE N :NH3+ -122:sc= -0.181 (180deg=-0.561) USER MOD Single : A 4 HIS : no HD1:sc= -13.5! C(o=-13!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -76:sc= -2.73 USER MOD Single : A 12 SER OG : rot 180:sc= -0.805 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 21 ASN : amide:sc= -5.19! K(o=-5.2!,f=-1.8) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 143:sc= -1.34 (180deg=-1.73!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -1.13 (180deg=-1.49) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.164 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.461 (180deg=-0.722) USER MOD Single : A 68 HIS : no HE2:sc= -36.5! C(o=-36!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -0.634 X(o=-0.63,f=-0.67) USER MOD Single : B 1 HIS N :NH3+ 175:sc= -14.5! (180deg=-15!) USER MOD Single : B 3 TYR OH : rot 57:sc= 0.195 USER MOD Single : B 4 TYR OH : rot -118:sc= -0.267 USER MOD Single : B 6 SER OG : rot -17:sc= -2.46! USER MOD Single : B 7 SER OG : rot 66:sc= -5.74! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.046 6.503 12.379 1.00 0.00 N ATOM 2 CA ILE A 1 -6.597 6.657 11.044 1.00 0.00 C ATOM 3 C ILE A 1 -6.895 5.275 10.458 1.00 0.00 C ATOM 4 O ILE A 1 -6.877 4.275 11.174 1.00 0.00 O ATOM 5 CB ILE A 1 -5.669 7.506 10.174 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.309 6.827 9.999 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.533 8.923 10.738 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.526 7.455 8.844 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.643 7.012 13.062 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.018 5.494 12.629 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.082 6.893 12.404 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.542 7.199 11.083 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.115 7.594 9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.735 6.913 10.921 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.452 5.763 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.868 9.506 10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.514 9.398 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.120 8.875 11.746 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.564 6.954 8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.092 7.346 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.364 8.514 9.047 1.00 0.00 H new ATOM 20 N VAL A 2 -7.163 5.263 9.160 1.00 0.00 N ATOM 21 CA VAL A 2 -7.464 4.020 8.469 1.00 0.00 C ATOM 22 C VAL A 2 -6.566 3.896 7.236 1.00 0.00 C ATOM 23 O VAL A 2 -6.075 4.898 6.718 1.00 0.00 O ATOM 24 CB VAL A 2 -8.955 3.957 8.132 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.380 2.528 7.791 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.800 4.524 9.275 1.00 0.00 C ATOM 0 H VAL A 2 -7.178 6.094 8.569 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.253 3.165 9.111 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.126 4.576 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.444 2.511 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.812 2.175 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.187 1.878 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.856 4.467 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.622 3.945 10.181 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.525 5.564 9.449 1.00 0.00 H new ATOM 36 N CYS A 3 -6.379 2.658 6.803 1.00 0.00 N ATOM 37 CA CYS A 3 -5.549 2.390 5.640 1.00 0.00 C ATOM 38 C CYS A 3 -6.141 1.195 4.892 1.00 0.00 C ATOM 39 O CYS A 3 -6.766 0.326 5.499 1.00 0.00 O ATOM 40 CB CYS A 3 -4.089 2.153 6.031 1.00 0.00 C ATOM 41 SG CYS A 3 -3.674 3.125 7.524 1.00 0.00 S ATOM 0 H CYS A 3 -6.787 1.830 7.236 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.545 3.261 4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.922 1.092 6.220 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.433 2.437 5.208 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.211 4.287 7.170 1.00 0.00 H new ATOM 47 N HIS A 4 -5.926 1.190 3.585 1.00 0.00 N ATOM 48 CA HIS A 4 -6.431 0.116 2.747 1.00 0.00 C ATOM 49 C HIS A 4 -5.439 -1.050 2.754 1.00 0.00 C ATOM 50 O HIS A 4 -4.231 -0.840 2.830 1.00 0.00 O ATOM 51 CB HIS A 4 -6.738 0.625 1.337 1.00 0.00 C ATOM 52 CG HIS A 4 -7.384 1.989 1.304 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.628 2.242 1.853 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.947 3.171 0.783 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.917 3.521 1.665 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.873 4.094 1.001 1.00 0.00 N ATOM 0 H HIS A 4 -5.409 1.913 3.085 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.374 -0.252 3.151 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.811 0.659 0.764 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.394 -0.089 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.005 3.328 0.278 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.820 4.022 1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.814 5.072 0.718 1.00 0.00 H new ATOM 65 N THR A 5 -5.990 -2.252 2.672 1.00 0.00 N ATOM 66 CA THR A 5 -5.169 -3.452 2.669 1.00 0.00 C ATOM 67 C THR A 5 -5.239 -4.140 1.305 1.00 0.00 C ATOM 68 O THR A 5 -6.293 -4.630 0.905 1.00 0.00 O ATOM 69 CB THR A 5 -5.630 -4.343 3.824 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.661 -5.146 3.254 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.340 -3.554 4.926 1.00 0.00 C ATOM 0 H THR A 5 -6.994 -2.421 2.607 1.00 0.00 H new ATOM 0 HA THR A 5 -4.117 -3.213 2.825 1.00 0.00 H new ATOM 0 HB THR A 5 -4.770 -4.862 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.065 -4.671 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.646 -4.234 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.661 -2.804 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.219 -3.061 4.512 1.00 0.00 H new ATOM 79 N THR A 6 -4.100 -4.157 0.628 1.00 0.00 N ATOM 80 CA THR A 6 -4.017 -4.778 -0.683 1.00 0.00 C ATOM 81 C THR A 6 -3.341 -6.148 -0.584 1.00 0.00 C ATOM 82 O THR A 6 -3.458 -6.968 -1.491 1.00 0.00 O ATOM 83 CB THR A 6 -3.293 -3.809 -1.621 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.867 -2.752 -0.765 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.243 -3.129 -2.608 1.00 0.00 C ATOM 0 H THR A 6 -3.227 -3.750 0.963 1.00 0.00 H new ATOM 0 HA THR A 6 -5.009 -4.969 -1.093 1.00 0.00 H new ATOM 0 HB THR A 6 -2.521 -4.346 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.632 -2.181 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.678 -2.453 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.733 -3.885 -3.221 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.996 -2.564 -2.058 1.00 0.00 H new ATOM 93 N ALA A 7 -2.648 -6.350 0.527 1.00 0.00 N ATOM 94 CA ALA A 7 -1.953 -7.605 0.756 1.00 0.00 C ATOM 95 C ALA A 7 -2.931 -8.625 1.342 1.00 0.00 C ATOM 96 O ALA A 7 -3.019 -9.754 0.860 1.00 0.00 O ATOM 97 CB ALA A 7 -0.748 -7.363 1.668 1.00 0.00 C ATOM 0 H ALA A 7 -2.553 -5.666 1.278 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.575 -8.011 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.227 -8.305 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.069 -6.654 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.088 -6.958 2.621 1.00 0.00 H new ATOM 103 N THR A 8 -3.643 -8.193 2.372 1.00 0.00 N ATOM 104 CA THR A 8 -4.611 -9.053 3.029 1.00 0.00 C ATOM 105 C THR A 8 -5.863 -9.205 2.162 1.00 0.00 C ATOM 106 O THR A 8 -5.853 -9.940 1.174 1.00 0.00 O ATOM 107 CB THR A 8 -4.897 -8.474 4.414 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.747 -7.068 4.239 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.820 -8.839 5.437 1.00 0.00 C ATOM 0 H THR A 8 -3.568 -7.256 2.768 1.00 0.00 H new ATOM 0 HA THR A 8 -4.219 -10.062 3.159 1.00 0.00 H new ATOM 0 HB THR A 8 -5.865 -8.833 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.528 -6.712 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.073 -8.402 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.762 -9.923 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.857 -8.452 5.105 1.00 0.00 H new ATOM 117 N SER A 9 -6.911 -8.501 2.564 1.00 0.00 N ATOM 118 CA SER A 9 -8.168 -8.548 1.837 1.00 0.00 C ATOM 119 C SER A 9 -7.979 -7.982 0.429 1.00 0.00 C ATOM 120 O SER A 9 -6.855 -7.888 -0.062 1.00 0.00 O ATOM 121 CB SER A 9 -9.262 -7.777 2.577 1.00 0.00 C ATOM 122 OG SER A 9 -8.993 -7.678 3.973 1.00 0.00 O ATOM 0 H SER A 9 -6.915 -7.895 3.384 1.00 0.00 H new ATOM 0 HA SER A 9 -8.482 -9.589 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.351 -6.777 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.221 -8.273 2.427 1.00 0.00 H new ATOM 0 HG SER A 9 -9.713 -7.178 4.410 1.00 0.00 H new ATOM 128 N PRO A 10 -9.127 -7.609 -0.200 1.00 0.00 N ATOM 129 CA PRO A 10 -9.099 -7.055 -1.542 1.00 0.00 C ATOM 130 C PRO A 10 -8.596 -5.609 -1.529 1.00 0.00 C ATOM 131 O PRO A 10 -7.646 -5.272 -2.232 1.00 0.00 O ATOM 132 CB PRO A 10 -10.526 -7.183 -2.050 1.00 0.00 C ATOM 133 CG PRO A 10 -11.392 -7.372 -0.816 1.00 0.00 C ATOM 134 CD PRO A 10 -10.476 -7.705 0.350 1.00 0.00 C ATOM 0 HA PRO A 10 -8.407 -7.581 -2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.825 -6.293 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.624 -8.030 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.962 -6.467 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.114 -8.173 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.617 -7.008 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.676 -8.704 0.738 1.00 0.00 H new ATOM 142 N ILE A 11 -9.256 -4.794 -0.718 1.00 0.00 N ATOM 143 CA ILE A 11 -8.888 -3.394 -0.603 1.00 0.00 C ATOM 144 C ILE A 11 -10.006 -2.635 0.115 1.00 0.00 C ATOM 145 O ILE A 11 -11.042 -2.339 -0.479 1.00 0.00 O ATOM 146 CB ILE A 11 -8.538 -2.818 -1.977 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.036 -2.540 -2.088 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.375 -1.573 -2.279 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.679 -1.999 -3.474 1.00 0.00 C ATOM 0 H ILE A 11 -10.043 -5.077 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.988 -3.285 0.002 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.785 -3.563 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.738 -1.820 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.478 -3.457 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.107 -1.184 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.433 -1.835 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.182 -0.813 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.607 -1.810 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.956 -2.731 -4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.220 -1.070 -3.652 1.00 0.00 H new ATOM 161 N SER A 12 -9.759 -2.342 1.382 1.00 0.00 N ATOM 162 CA SER A 12 -10.732 -1.622 2.188 1.00 0.00 C ATOM 163 C SER A 12 -10.024 -0.873 3.319 1.00 0.00 C ATOM 164 O SER A 12 -9.098 -1.400 3.933 1.00 0.00 O ATOM 165 CB SER A 12 -11.784 -2.574 2.760 1.00 0.00 C ATOM 166 OG SER A 12 -11.276 -3.337 3.852 1.00 0.00 O ATOM 0 H SER A 12 -8.899 -2.590 1.872 1.00 0.00 H new ATOM 0 HA SER A 12 -11.241 -0.902 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.650 -2.001 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.128 -3.248 1.975 1.00 0.00 H new ATOM 0 HG SER A 12 -11.978 -3.931 4.190 1.00 0.00 H new ATOM 172 N ALA A 13 -10.487 0.344 3.559 1.00 0.00 N ATOM 173 CA ALA A 13 -9.908 1.172 4.604 1.00 0.00 C ATOM 174 C ALA A 13 -10.409 0.688 5.967 1.00 0.00 C ATOM 175 O ALA A 13 -11.534 0.991 6.361 1.00 0.00 O ATOM 176 CB ALA A 13 -10.253 2.640 4.343 1.00 0.00 C ATOM 0 H ALA A 13 -11.256 0.777 3.048 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.821 1.088 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.819 3.261 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.850 2.942 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.336 2.764 4.340 1.00 0.00 H new ATOM 182 N VAL A 14 -9.550 -0.054 6.648 1.00 0.00 N ATOM 183 CA VAL A 14 -9.890 -0.584 7.957 1.00 0.00 C ATOM 184 C VAL A 14 -8.773 -0.246 8.946 1.00 0.00 C ATOM 185 O VAL A 14 -7.606 -0.544 8.694 1.00 0.00 O ATOM 186 CB VAL A 14 -10.169 -2.085 7.859 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.743 -2.448 6.488 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.906 -2.897 8.157 1.00 0.00 C ATOM 0 H VAL A 14 -8.617 -0.301 6.317 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.804 -0.122 8.330 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.916 -2.337 8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.932 -3.521 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.677 -1.908 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.030 -2.174 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.131 -3.961 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.129 -2.638 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.558 -2.671 9.165 1.00 0.00 H new ATOM 198 N THR A 15 -9.169 0.371 10.050 1.00 0.00 N ATOM 199 CA THR A 15 -8.214 0.753 11.077 1.00 0.00 C ATOM 200 C THR A 15 -7.288 -0.420 11.406 1.00 0.00 C ATOM 201 O THR A 15 -7.722 -1.569 11.436 1.00 0.00 O ATOM 202 CB THR A 15 -9.001 1.264 12.286 1.00 0.00 C ATOM 203 OG1 THR A 15 -9.968 2.146 11.724 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.160 2.161 13.194 1.00 0.00 C ATOM 0 H THR A 15 -10.138 0.616 10.256 1.00 0.00 H new ATOM 0 HA THR A 15 -7.561 1.555 10.733 1.00 0.00 H new ATOM 0 HB THR A 15 -9.376 0.416 12.860 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.523 2.521 12.439 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.766 2.496 14.036 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.302 1.601 13.565 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.812 3.026 12.630 1.00 0.00 H new ATOM 212 N CYS A 16 -6.028 -0.086 11.645 1.00 0.00 N ATOM 213 CA CYS A 16 -5.036 -1.097 11.969 1.00 0.00 C ATOM 214 C CYS A 16 -4.889 -1.154 13.492 1.00 0.00 C ATOM 215 O CYS A 16 -5.540 -0.398 14.211 1.00 0.00 O ATOM 216 CB CYS A 16 -3.700 -0.822 11.277 1.00 0.00 C ATOM 217 SG CYS A 16 -3.295 -2.189 10.131 1.00 0.00 S ATOM 0 H CYS A 16 -5.672 0.869 11.621 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.368 -2.067 11.600 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.752 0.119 10.729 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.911 -0.715 12.021 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.298 -1.746 8.909 1.00 0.00 H new ATOM 223 N PRO A 17 -4.007 -2.083 13.949 1.00 0.00 N ATOM 224 CA PRO A 17 -3.766 -2.248 15.372 1.00 0.00 C ATOM 225 C PRO A 17 -2.904 -1.109 15.919 1.00 0.00 C ATOM 226 O PRO A 17 -2.613 -0.148 15.207 1.00 0.00 O ATOM 227 CB PRO A 17 -3.104 -3.610 15.504 1.00 0.00 C ATOM 228 CG PRO A 17 -2.578 -3.953 14.120 1.00 0.00 C ATOM 229 CD PRO A 17 -3.218 -2.995 13.128 1.00 0.00 C ATOM 0 HA PRO A 17 -4.682 -2.206 15.961 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.295 -3.582 16.234 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.817 -4.359 15.848 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.492 -3.863 14.091 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.820 -4.985 13.865 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.463 -2.458 12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.845 -3.527 12.412 1.00 0.00 H new ATOM 237 N PRO A 18 -2.507 -1.257 17.212 1.00 0.00 N ATOM 238 CA PRO A 18 -1.684 -0.251 17.862 1.00 0.00 C ATOM 239 C PRO A 18 -0.236 -0.329 17.373 1.00 0.00 C ATOM 240 O PRO A 18 0.449 -1.324 17.606 1.00 0.00 O ATOM 241 CB PRO A 18 -1.824 -0.530 19.350 1.00 0.00 C ATOM 242 CG PRO A 18 -2.343 -1.954 19.460 1.00 0.00 C ATOM 243 CD PRO A 18 -2.833 -2.380 18.086 1.00 0.00 C ATOM 0 HA PRO A 18 -2.000 0.766 17.629 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.866 -0.423 19.859 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.513 0.174 19.816 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.555 -2.622 19.808 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.152 -2.010 20.188 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.341 -3.295 17.756 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.905 -2.579 18.092 1.00 0.00 H new ATOM 251 N GLY A 19 0.187 0.734 16.705 1.00 0.00 N ATOM 252 CA GLY A 19 1.540 0.799 16.180 1.00 0.00 C ATOM 253 C GLY A 19 1.610 1.702 14.948 1.00 0.00 C ATOM 254 O GLY A 19 2.389 2.654 14.915 1.00 0.00 O ATOM 0 H GLY A 19 -0.384 1.558 16.515 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.214 1.175 16.949 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.881 -0.203 15.920 1.00 0.00 H new ATOM 258 N GLU A 20 0.783 1.373 13.966 1.00 0.00 N ATOM 259 CA GLU A 20 0.740 2.144 12.735 1.00 0.00 C ATOM 260 C GLU A 20 0.184 3.544 13.003 1.00 0.00 C ATOM 261 O GLU A 20 -1.020 3.711 13.190 1.00 0.00 O ATOM 262 CB GLU A 20 -0.082 1.423 11.665 1.00 0.00 C ATOM 263 CG GLU A 20 0.498 0.038 11.368 1.00 0.00 C ATOM 264 CD GLU A 20 -0.135 -1.026 12.267 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.009 -2.228 12.001 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.797 -0.565 13.274 1.00 0.00 O ATOM 0 H GLU A 20 0.138 0.583 13.998 1.00 0.00 H new ATOM 0 HA GLU A 20 1.758 2.245 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.115 1.325 12.000 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.098 2.018 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.326 -0.216 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.577 0.052 11.519 1.00 0.00 H new ATOM 274 N ASN A 21 1.088 4.512 13.016 1.00 0.00 N ATOM 275 CA ASN A 21 0.703 5.893 13.258 1.00 0.00 C ATOM 276 C ASN A 21 0.254 6.532 11.942 1.00 0.00 C ATOM 277 O ASN A 21 -0.014 7.731 11.889 1.00 0.00 O ATOM 278 CB ASN A 21 1.880 6.705 13.801 1.00 0.00 C ATOM 279 CG ASN A 21 2.621 5.935 14.895 1.00 0.00 C ATOM 280 OD1 ASN A 21 3.773 6.194 15.202 1.00 0.00 O ATOM 281 ND2 ASN A 21 1.897 4.975 15.465 1.00 0.00 N ATOM 0 H ASN A 21 2.086 4.368 12.863 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.105 5.895 13.990 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.568 6.942 12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.519 7.653 14.200 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.301 4.403 16.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.938 4.811 15.160 1.00 0.00 H new ATOM 288 N LEU A 22 0.185 5.701 10.911 1.00 0.00 N ATOM 289 CA LEU A 22 -0.227 6.170 9.599 1.00 0.00 C ATOM 290 C LEU A 22 -0.371 4.974 8.656 1.00 0.00 C ATOM 291 O LEU A 22 -0.317 3.825 9.093 1.00 0.00 O ATOM 292 CB LEU A 22 0.734 7.245 9.087 1.00 0.00 C ATOM 293 CG LEU A 22 2.144 6.768 8.728 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.429 6.973 7.241 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.193 7.444 9.613 1.00 0.00 C ATOM 0 H LEU A 22 0.407 4.707 10.958 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.204 6.650 9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.293 7.708 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.817 8.022 9.847 1.00 0.00 H new ATOM 0 HG LEU A 22 2.203 5.697 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.437 6.626 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.708 6.407 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.346 8.032 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.186 7.088 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.144 8.524 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.998 7.202 10.658 1.00 0.00 H new ATOM 307 N CYS A 23 -0.550 5.284 7.381 1.00 0.00 N ATOM 308 CA CYS A 23 -0.701 4.248 6.373 1.00 0.00 C ATOM 309 C CYS A 23 0.612 4.140 5.594 1.00 0.00 C ATOM 310 O CYS A 23 1.618 4.734 5.980 1.00 0.00 O ATOM 311 CB CYS A 23 -1.889 4.526 5.450 1.00 0.00 C ATOM 312 SG CYS A 23 -3.212 5.388 6.376 1.00 0.00 S ATOM 0 H CYS A 23 -0.594 6.238 7.022 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.915 3.295 6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.569 5.135 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.270 3.590 5.042 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.143 4.538 6.695 1.00 0.00 H new ATOM 318 N TYR A 24 0.560 3.377 4.513 1.00 0.00 N ATOM 319 CA TYR A 24 1.733 3.183 3.678 1.00 0.00 C ATOM 320 C TYR A 24 1.358 2.509 2.355 1.00 0.00 C ATOM 321 O TYR A 24 0.245 2.012 2.201 1.00 0.00 O ATOM 322 CB TYR A 24 2.662 2.256 4.463 1.00 0.00 C ATOM 323 CG TYR A 24 2.255 0.781 4.415 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.742 -0.038 3.416 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.401 0.269 5.371 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.360 -1.425 3.372 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.019 -1.118 5.326 1.00 0.00 C ATOM 328 CZ TYR A 24 1.516 -1.896 4.329 1.00 0.00 C ATOM 329 OH TYR A 24 1.155 -3.207 4.286 1.00 0.00 O ATOM 0 H TYR A 24 -0.276 2.886 4.196 1.00 0.00 H new ATOM 0 HA TYR A 24 2.199 4.140 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.674 2.356 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.689 2.581 5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.410 0.362 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.019 0.909 6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.735 -2.077 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.352 -1.531 6.068 1.00 0.00 H new ATOM 0 HH TYR A 24 0.550 -3.404 5.031 1.00 0.00 H new ATOM 339 N ARG A 25 2.312 2.516 1.434 1.00 0.00 N ATOM 340 CA ARG A 25 2.095 1.912 0.130 1.00 0.00 C ATOM 341 C ARG A 25 3.324 1.105 -0.291 1.00 0.00 C ATOM 342 O ARG A 25 4.304 1.668 -0.778 1.00 0.00 O ATOM 343 CB ARG A 25 1.806 2.978 -0.928 1.00 0.00 C ATOM 344 CG ARG A 25 1.024 4.148 -0.329 1.00 0.00 C ATOM 345 CD ARG A 25 1.194 5.412 -1.175 1.00 0.00 C ATOM 346 NE ARG A 25 -0.128 5.902 -1.626 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.327 6.621 -2.751 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.713 6.943 -3.550 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.551 7.007 -3.057 1.00 0.00 N ATOM 0 H ARG A 25 3.235 2.930 1.565 1.00 0.00 H new ATOM 0 HA ARG A 25 1.232 1.251 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.744 3.341 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.238 2.538 -1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.033 3.889 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.368 4.338 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.698 6.184 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.826 5.200 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.941 5.682 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.656 6.643 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.555 7.487 -4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.331 6.762 -2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.718 7.551 -3.904 1.00 0.00 H new ATOM 363 N LYS A 26 3.235 -0.200 -0.088 1.00 0.00 N ATOM 364 CA LYS A 26 4.327 -1.090 -0.442 1.00 0.00 C ATOM 365 C LYS A 26 4.250 -1.422 -1.934 1.00 0.00 C ATOM 366 O LYS A 26 3.178 -1.348 -2.533 1.00 0.00 O ATOM 367 CB LYS A 26 4.326 -2.325 0.463 1.00 0.00 C ATOM 368 CG LYS A 26 5.603 -2.391 1.304 1.00 0.00 C ATOM 369 CD LYS A 26 5.522 -3.518 2.335 1.00 0.00 C ATOM 370 CE LYS A 26 5.231 -2.962 3.731 1.00 0.00 C ATOM 371 NZ LYS A 26 6.130 -3.580 4.731 1.00 0.00 N ATOM 0 H LYS A 26 2.422 -0.664 0.318 1.00 0.00 H new ATOM 0 HA LYS A 26 5.286 -0.599 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.456 -2.299 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.240 -3.226 -0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.463 -2.549 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.758 -1.439 1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.740 -4.222 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.461 -4.072 2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.363 -1.880 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.192 -3.156 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.920 -3.192 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.984 -4.610 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.119 -3.373 4.484 1.00 0.00 H new ATOM 385 N MET A 27 5.398 -1.776 -2.489 1.00 0.00 N ATOM 386 CA MET A 27 5.475 -2.119 -3.899 1.00 0.00 C ATOM 387 C MET A 27 6.565 -3.161 -4.153 1.00 0.00 C ATOM 388 O MET A 27 7.545 -3.231 -3.414 1.00 0.00 O ATOM 389 CB MET A 27 5.772 -0.859 -4.714 1.00 0.00 C ATOM 390 CG MET A 27 4.541 -0.415 -5.508 1.00 0.00 C ATOM 391 SD MET A 27 4.625 1.337 -5.837 1.00 0.00 S ATOM 392 CE MET A 27 2.938 1.642 -6.330 1.00 0.00 C ATOM 0 H MET A 27 6.284 -1.833 -1.988 1.00 0.00 H new ATOM 0 HA MET A 27 4.518 -2.543 -4.203 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.088 -0.057 -4.047 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.600 -1.050 -5.397 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.485 -0.967 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.635 -0.645 -4.948 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.620 2.615 -5.956 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.869 1.631 -7.418 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.293 0.866 -5.918 1.00 0.00 H new ATOM 402 N TRP A 28 6.358 -3.943 -5.203 1.00 0.00 N ATOM 403 CA TRP A 28 7.310 -4.979 -5.562 1.00 0.00 C ATOM 404 C TRP A 28 6.933 -5.507 -6.948 1.00 0.00 C ATOM 405 O TRP A 28 7.231 -4.873 -7.960 1.00 0.00 O ATOM 406 CB TRP A 28 7.357 -6.077 -4.497 1.00 0.00 C ATOM 407 CG TRP A 28 6.027 -6.301 -3.776 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.871 -6.740 -4.294 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.758 -6.079 -2.376 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.883 -6.817 -3.334 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.440 -6.403 -2.131 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.604 -5.621 -1.349 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.849 -6.302 -0.866 1.00 0.00 C ATOM 414 CZ3 TRP A 28 5.997 -5.525 -0.092 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.670 -5.846 0.172 1.00 0.00 C ATOM 0 H TRP A 28 5.545 -3.879 -5.816 1.00 0.00 H new ATOM 0 HA TRP A 28 8.321 -4.574 -5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.666 -7.011 -4.966 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.119 -5.823 -3.761 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.731 -7.001 -5.333 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.921 -7.122 -3.481 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.639 -5.364 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.814 -6.562 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.602 -5.177 0.732 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.275 -5.744 1.172 1.00 0.00 H new ATOM 426 N CYS A 29 6.284 -6.663 -6.950 1.00 0.00 N ATOM 427 CA CYS A 29 5.864 -7.283 -8.194 1.00 0.00 C ATOM 428 C CYS A 29 5.035 -8.523 -7.857 1.00 0.00 C ATOM 429 O CYS A 29 5.523 -9.441 -7.199 1.00 0.00 O ATOM 430 CB CYS A 29 7.059 -7.622 -9.089 1.00 0.00 C ATOM 431 SG CYS A 29 7.010 -6.603 -10.610 1.00 0.00 S ATOM 0 H CYS A 29 6.039 -7.186 -6.109 1.00 0.00 H new ATOM 0 HA CYS A 29 5.253 -6.583 -8.764 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.990 -7.442 -8.551 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.040 -8.680 -9.349 1.00 0.00 H new ATOM 0 HG CYS A 29 7.286 -7.347 -11.640 1.00 0.00 H new ATOM 437 N ASP A 30 3.794 -8.510 -8.322 1.00 0.00 N ATOM 438 CA ASP A 30 2.891 -9.622 -8.078 1.00 0.00 C ATOM 439 C ASP A 30 3.601 -10.934 -8.420 1.00 0.00 C ATOM 440 O ASP A 30 4.747 -10.926 -8.868 1.00 0.00 O ATOM 441 CB ASP A 30 1.641 -9.519 -8.953 1.00 0.00 C ATOM 442 CG ASP A 30 0.516 -10.490 -8.590 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.415 -10.951 -7.443 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.292 -10.774 -9.555 1.00 0.00 O ATOM 0 H ASP A 30 3.393 -7.747 -8.867 1.00 0.00 H new ATOM 0 HA ASP A 30 2.599 -9.595 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.256 -8.501 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.927 -9.690 -9.991 1.00 0.00 H new ATOM 450 N ALA A 31 2.891 -12.030 -8.194 1.00 0.00 N ATOM 451 CA ALA A 31 3.439 -13.347 -8.472 1.00 0.00 C ATOM 452 C ALA A 31 3.503 -13.558 -9.987 1.00 0.00 C ATOM 453 O ALA A 31 3.958 -14.602 -10.452 1.00 0.00 O ATOM 454 CB ALA A 31 2.593 -14.411 -7.771 1.00 0.00 C ATOM 0 H ALA A 31 1.941 -12.033 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 31 4.454 -13.430 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.004 -15.399 -7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.603 -14.234 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.568 -14.360 -8.137 1.00 0.00 H new ATOM 460 N PHE A 32 3.043 -12.550 -10.713 1.00 0.00 N ATOM 461 CA PHE A 32 3.043 -12.613 -12.164 1.00 0.00 C ATOM 462 C PHE A 32 3.922 -11.513 -12.762 1.00 0.00 C ATOM 463 O PHE A 32 4.257 -11.554 -13.944 1.00 0.00 O ATOM 464 CB PHE A 32 1.598 -12.397 -12.620 1.00 0.00 C ATOM 465 CG PHE A 32 0.660 -13.560 -12.286 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.465 -13.926 -10.992 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.020 -14.225 -13.286 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.405 -15.004 -10.682 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.849 -15.304 -12.975 1.00 0.00 C ATOM 470 CZ PHE A 32 -1.045 -15.670 -11.681 1.00 0.00 C ATOM 0 H PHE A 32 2.668 -11.685 -10.323 1.00 0.00 H new ATOM 0 HA PHE A 32 3.436 -13.575 -12.494 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.213 -11.489 -12.156 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.588 -12.234 -13.698 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.972 -13.396 -10.199 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.173 -13.933 -14.314 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.559 -15.295 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.355 -15.835 -13.768 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.708 -16.489 -11.446 1.00 0.00 H new ATOM 480 N CYS A 33 4.273 -10.555 -11.915 1.00 0.00 N ATOM 481 CA CYS A 33 5.106 -9.445 -12.345 1.00 0.00 C ATOM 482 C CYS A 33 4.705 -9.067 -13.772 1.00 0.00 C ATOM 483 O CYS A 33 5.519 -9.147 -14.691 1.00 0.00 O ATOM 484 CB CYS A 33 6.594 -9.784 -12.240 1.00 0.00 C ATOM 485 SG CYS A 33 7.572 -8.633 -13.275 1.00 0.00 S ATOM 0 H CYS A 33 3.996 -10.525 -10.934 1.00 0.00 H new ATOM 0 HA CYS A 33 4.947 -8.590 -11.687 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.918 -9.718 -11.201 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.765 -10.811 -12.562 1.00 0.00 H new ATOM 0 HG CYS A 33 7.159 -8.698 -14.506 1.00 0.00 H new ATOM 491 N SER A 34 3.451 -8.662 -13.913 1.00 0.00 N ATOM 492 CA SER A 34 2.933 -8.272 -15.212 1.00 0.00 C ATOM 493 C SER A 34 3.602 -6.975 -15.675 1.00 0.00 C ATOM 494 O SER A 34 4.398 -6.388 -14.943 1.00 0.00 O ATOM 495 CB SER A 34 1.413 -8.099 -15.170 1.00 0.00 C ATOM 496 OG SER A 34 0.744 -9.321 -14.873 1.00 0.00 O ATOM 0 H SER A 34 2.779 -8.596 -13.148 1.00 0.00 H new ATOM 0 HA SER A 34 3.162 -9.066 -15.923 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.154 -7.352 -14.419 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.065 -7.719 -16.131 1.00 0.00 H new ATOM 0 HG SER A 34 -0.224 -9.168 -14.854 1.00 0.00 H new ATOM 502 N SER A 35 3.255 -6.568 -16.886 1.00 0.00 N ATOM 503 CA SER A 35 3.812 -5.352 -17.456 1.00 0.00 C ATOM 504 C SER A 35 3.282 -4.131 -16.701 1.00 0.00 C ATOM 505 O SER A 35 3.720 -3.008 -16.947 1.00 0.00 O ATOM 506 CB SER A 35 3.482 -5.239 -18.945 1.00 0.00 C ATOM 507 OG SER A 35 3.840 -6.418 -19.662 1.00 0.00 O ATOM 0 H SER A 35 2.595 -7.058 -17.489 1.00 0.00 H new ATOM 0 HA SER A 35 4.897 -5.393 -17.355 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.415 -5.050 -19.067 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.007 -4.383 -19.369 1.00 0.00 H new ATOM 0 HG SER A 35 3.612 -6.307 -20.609 1.00 0.00 H new ATOM 513 N ARG A 36 2.347 -4.392 -15.798 1.00 0.00 N ATOM 514 CA ARG A 36 1.754 -3.328 -15.007 1.00 0.00 C ATOM 515 C ARG A 36 2.762 -2.803 -13.982 1.00 0.00 C ATOM 516 O ARG A 36 2.436 -1.934 -13.175 1.00 0.00 O ATOM 517 CB ARG A 36 0.503 -3.818 -14.277 1.00 0.00 C ATOM 518 CG ARG A 36 -0.437 -4.556 -15.233 1.00 0.00 C ATOM 519 CD ARG A 36 -1.049 -3.592 -16.251 1.00 0.00 C ATOM 520 NE ARG A 36 -2.382 -3.146 -15.788 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.310 -2.578 -16.587 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.059 -2.384 -17.900 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.469 -2.217 -16.067 1.00 0.00 N ATOM 0 H ARG A 36 1.986 -5.325 -15.597 1.00 0.00 H new ATOM 0 HA ARG A 36 1.473 -2.525 -15.688 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.790 -4.480 -13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.018 -2.970 -13.832 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.111 -5.341 -15.754 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.230 -5.043 -14.666 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.395 -2.731 -16.387 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.137 -4.082 -17.221 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.614 -3.276 -14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.162 -2.667 -18.295 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.766 -1.954 -18.496 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.652 -2.369 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.181 -1.786 -16.657 1.00 0.00 H new ATOM 537 N GLY A 37 3.965 -3.354 -14.047 1.00 0.00 N ATOM 538 CA GLY A 37 5.023 -2.953 -13.133 1.00 0.00 C ATOM 539 C GLY A 37 4.959 -3.757 -11.834 1.00 0.00 C ATOM 540 O GLY A 37 4.915 -4.986 -11.862 1.00 0.00 O ATOM 0 H GLY A 37 4.231 -4.075 -14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.993 -3.099 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.933 -1.890 -12.911 1.00 0.00 H new ATOM 544 N LYS A 38 4.956 -3.032 -10.725 1.00 0.00 N ATOM 545 CA LYS A 38 4.899 -3.661 -9.418 1.00 0.00 C ATOM 546 C LYS A 38 3.449 -3.683 -8.930 1.00 0.00 C ATOM 547 O LYS A 38 2.528 -3.410 -9.698 1.00 0.00 O ATOM 548 CB LYS A 38 5.863 -2.975 -8.449 1.00 0.00 C ATOM 549 CG LYS A 38 7.073 -2.403 -9.192 1.00 0.00 C ATOM 550 CD LYS A 38 7.574 -3.381 -10.258 1.00 0.00 C ATOM 551 CE LYS A 38 9.102 -3.395 -10.314 1.00 0.00 C ATOM 552 NZ LYS A 38 9.575 -3.051 -11.673 1.00 0.00 N ATOM 0 H LYS A 38 4.992 -2.013 -10.706 1.00 0.00 H new ATOM 0 HA LYS A 38 5.231 -4.697 -9.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.345 -2.175 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.198 -3.689 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.803 -1.456 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.873 -2.191 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.205 -4.383 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.173 -3.100 -11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.505 -2.685 -9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.473 -4.380 -10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.615 -3.065 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.206 -3.744 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.237 -2.101 -11.928 1.00 0.00 H new ATOM 566 N VAL A 39 3.292 -4.012 -7.656 1.00 0.00 N ATOM 567 CA VAL A 39 1.970 -4.073 -7.056 1.00 0.00 C ATOM 568 C VAL A 39 1.761 -2.847 -6.166 1.00 0.00 C ATOM 569 O VAL A 39 2.488 -1.862 -6.279 1.00 0.00 O ATOM 570 CB VAL A 39 1.798 -5.395 -6.305 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.320 -5.779 -6.202 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.609 -6.511 -6.965 1.00 0.00 C ATOM 0 H VAL A 39 4.059 -4.239 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 39 1.199 -4.049 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 39 2.180 -5.257 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.226 -6.722 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.222 -5.000 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.098 -5.889 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.469 -7.439 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.272 -6.647 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.666 -6.243 -6.962 1.00 0.00 H new ATOM 582 N VAL A 40 0.764 -2.949 -5.299 1.00 0.00 N ATOM 583 CA VAL A 40 0.450 -1.860 -4.389 1.00 0.00 C ATOM 584 C VAL A 40 -0.221 -2.426 -3.135 1.00 0.00 C ATOM 585 O VAL A 40 -1.437 -2.331 -2.981 1.00 0.00 O ATOM 586 CB VAL A 40 -0.405 -0.813 -5.103 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.255 0.560 -4.443 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.060 -0.745 -6.592 1.00 0.00 C ATOM 0 H VAL A 40 0.163 -3.768 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 40 1.361 -1.354 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.448 -1.116 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.873 1.287 -4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.573 0.500 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.788 0.872 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.683 0.008 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.990 -0.478 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.241 -1.716 -7.052 1.00 0.00 H new ATOM 598 N GLU A 41 0.602 -3.002 -2.272 1.00 0.00 N ATOM 599 CA GLU A 41 0.104 -3.583 -1.036 1.00 0.00 C ATOM 600 C GLU A 41 0.141 -2.549 0.090 1.00 0.00 C ATOM 601 O GLU A 41 0.929 -2.674 1.027 1.00 0.00 O ATOM 602 CB GLU A 41 0.902 -4.834 -0.658 1.00 0.00 C ATOM 603 CG GLU A 41 1.150 -5.716 -1.883 1.00 0.00 C ATOM 604 CD GLU A 41 0.835 -7.182 -1.576 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.972 -7.616 -0.423 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.436 -7.877 -2.586 1.00 0.00 O ATOM 0 H GLU A 41 1.611 -3.079 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.932 -3.885 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.855 -4.542 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.360 -5.401 0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.532 -5.374 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.189 -5.622 -2.199 1.00 0.00 H new ATOM 614 N LEU A 42 -0.720 -1.550 -0.038 1.00 0.00 N ATOM 615 CA LEU A 42 -0.796 -0.495 0.957 1.00 0.00 C ATOM 616 C LEU A 42 -1.315 -1.077 2.273 1.00 0.00 C ATOM 617 O LEU A 42 -1.572 -2.276 2.368 1.00 0.00 O ATOM 618 CB LEU A 42 -1.629 0.677 0.433 1.00 0.00 C ATOM 619 CG LEU A 42 -1.573 0.916 -1.078 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.813 0.347 -1.769 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.372 2.400 -1.390 1.00 0.00 C ATOM 0 H LEU A 42 -1.371 -1.449 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 42 0.195 -0.088 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.669 0.514 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.300 1.585 0.937 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.710 0.383 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.748 0.530 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.871 -0.726 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.705 0.831 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.336 2.543 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.200 2.974 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.436 2.741 -0.947 1.00 0.00 H new ATOM 633 N GLY A 43 -1.455 -0.201 3.257 1.00 0.00 N ATOM 634 CA GLY A 43 -1.938 -0.612 4.564 1.00 0.00 C ATOM 635 C GLY A 43 -1.538 0.398 5.641 1.00 0.00 C ATOM 636 O GLY A 43 -1.471 1.598 5.377 1.00 0.00 O ATOM 0 H GLY A 43 -1.242 0.793 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.023 -0.712 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.533 -1.593 4.813 1.00 0.00 H new ATOM 640 N CYS A 44 -1.282 -0.124 6.831 1.00 0.00 N ATOM 641 CA CYS A 44 -0.891 0.717 7.949 1.00 0.00 C ATOM 642 C CYS A 44 0.563 0.399 8.303 1.00 0.00 C ATOM 643 O CYS A 44 1.052 -0.695 8.016 1.00 0.00 O ATOM 644 CB CYS A 44 -1.823 0.535 9.148 1.00 0.00 C ATOM 645 SG CYS A 44 -3.559 0.433 8.581 1.00 0.00 S ATOM 0 H CYS A 44 -1.338 -1.120 7.046 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.974 1.766 7.665 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.556 -0.371 9.693 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.706 1.369 9.840 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.978 1.619 8.251 1.00 0.00 H new ATOM 651 N ALA A 45 1.215 1.371 8.923 1.00 0.00 N ATOM 652 CA ALA A 45 2.604 1.209 9.318 1.00 0.00 C ATOM 653 C ALA A 45 3.001 2.354 10.252 1.00 0.00 C ATOM 654 O ALA A 45 2.544 3.483 10.083 1.00 0.00 O ATOM 655 CB ALA A 45 3.486 1.142 8.072 1.00 0.00 C ATOM 0 H ALA A 45 0.807 2.275 9.162 1.00 0.00 H new ATOM 0 HA ALA A 45 2.740 0.275 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.528 1.021 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.183 0.295 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.377 2.063 7.499 1.00 0.00 H new ATOM 661 N ALA A 46 3.846 2.022 11.217 1.00 0.00 N ATOM 662 CA ALA A 46 4.309 3.009 12.179 1.00 0.00 C ATOM 663 C ALA A 46 4.855 4.227 11.430 1.00 0.00 C ATOM 664 O ALA A 46 4.517 5.363 11.757 1.00 0.00 O ATOM 665 CB ALA A 46 5.353 2.374 13.098 1.00 0.00 C ATOM 0 H ALA A 46 4.222 1.084 11.354 1.00 0.00 H new ATOM 0 HA ALA A 46 3.486 3.350 12.807 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.701 3.113 13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.907 1.532 13.628 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.196 2.023 12.503 1.00 0.00 H new ATOM 671 N THR A 47 5.689 3.947 10.439 1.00 0.00 N ATOM 672 CA THR A 47 6.285 5.007 9.642 1.00 0.00 C ATOM 673 C THR A 47 6.791 4.450 8.309 1.00 0.00 C ATOM 674 O THR A 47 6.964 3.240 8.163 1.00 0.00 O ATOM 675 CB THR A 47 7.381 5.668 10.479 1.00 0.00 C ATOM 676 OG1 THR A 47 8.158 4.576 10.960 1.00 0.00 O ATOM 677 CG2 THR A 47 6.833 6.323 11.749 1.00 0.00 C ATOM 0 H THR A 47 5.966 3.003 10.170 1.00 0.00 H new ATOM 0 HA THR A 47 5.550 5.769 9.383 1.00 0.00 H new ATOM 0 HB THR A 47 7.895 6.417 9.876 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.893 4.916 11.512 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.652 6.777 12.307 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.108 7.091 11.479 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.348 5.568 12.368 1.00 0.00 H new ATOM 685 N CYS A 48 7.013 5.359 7.372 1.00 0.00 N ATOM 686 CA CYS A 48 7.497 4.974 6.056 1.00 0.00 C ATOM 687 C CYS A 48 8.433 3.776 6.219 1.00 0.00 C ATOM 688 O CYS A 48 9.611 3.943 6.531 1.00 0.00 O ATOM 689 CB CYS A 48 8.181 6.141 5.340 1.00 0.00 C ATOM 690 SG CYS A 48 7.767 7.716 6.176 1.00 0.00 S ATOM 0 H CYS A 48 6.867 6.361 7.497 1.00 0.00 H new ATOM 0 HA CYS A 48 6.654 4.691 5.425 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.261 5.994 5.337 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.861 6.177 4.299 1.00 0.00 H new ATOM 0 HG CYS A 48 6.505 7.724 6.487 1.00 0.00 H new ATOM 696 N PRO A 49 7.859 2.563 5.994 1.00 0.00 N ATOM 697 CA PRO A 49 8.631 1.338 6.113 1.00 0.00 C ATOM 698 C PRO A 49 9.564 1.158 4.913 1.00 0.00 C ATOM 699 O PRO A 49 10.360 0.220 4.877 1.00 0.00 O ATOM 700 CB PRO A 49 7.595 0.231 6.231 1.00 0.00 C ATOM 701 CG PRO A 49 6.295 0.819 5.708 1.00 0.00 C ATOM 702 CD PRO A 49 6.468 2.328 5.622 1.00 0.00 C ATOM 0 HA PRO A 49 9.293 1.341 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.890 -0.643 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.488 -0.095 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.056 0.406 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.468 0.567 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.260 2.694 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.785 2.844 6.297 1.00 0.00 H new ATOM 710 N SER A 50 9.435 2.072 3.962 1.00 0.00 N ATOM 711 CA SER A 50 10.256 2.026 2.765 1.00 0.00 C ATOM 712 C SER A 50 11.560 1.280 3.053 1.00 0.00 C ATOM 713 O SER A 50 12.159 1.455 4.114 1.00 0.00 O ATOM 714 CB SER A 50 10.552 3.434 2.246 1.00 0.00 C ATOM 715 OG SER A 50 10.136 3.603 0.894 1.00 0.00 O ATOM 0 H SER A 50 8.774 2.848 3.997 1.00 0.00 H new ATOM 0 HA SER A 50 9.704 1.492 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.046 4.166 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.621 3.632 2.324 1.00 0.00 H new ATOM 0 HG SER A 50 9.216 3.282 0.792 1.00 0.00 H new ATOM 721 N LYS A 51 11.965 0.464 2.090 1.00 0.00 N ATOM 722 CA LYS A 51 13.187 -0.308 2.227 1.00 0.00 C ATOM 723 C LYS A 51 14.346 0.463 1.594 1.00 0.00 C ATOM 724 O LYS A 51 14.720 1.533 2.071 1.00 0.00 O ATOM 725 CB LYS A 51 12.999 -1.715 1.656 1.00 0.00 C ATOM 726 CG LYS A 51 12.438 -2.667 2.715 1.00 0.00 C ATOM 727 CD LYS A 51 13.563 -3.281 3.550 1.00 0.00 C ATOM 728 CE LYS A 51 14.175 -2.245 4.494 1.00 0.00 C ATOM 729 NZ LYS A 51 13.130 -1.645 5.353 1.00 0.00 N ATOM 0 H LYS A 51 11.467 0.321 1.211 1.00 0.00 H new ATOM 0 HA LYS A 51 13.434 -0.447 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.323 -1.677 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.954 -2.094 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.750 -2.128 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.866 -3.458 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.175 -4.120 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.335 -3.678 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.938 -2.715 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.671 -1.465 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.578 -1.060 6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.502 -1.052 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.575 -2.400 5.803 1.00 0.00 H new ATOM 743 N LYS A 52 14.883 -0.111 0.526 1.00 0.00 N ATOM 744 CA LYS A 52 15.993 0.509 -0.178 1.00 0.00 C ATOM 745 C LYS A 52 16.025 -0.002 -1.619 1.00 0.00 C ATOM 746 O LYS A 52 16.053 0.789 -2.562 1.00 0.00 O ATOM 747 CB LYS A 52 17.301 0.286 0.582 1.00 0.00 C ATOM 748 CG LYS A 52 17.193 0.797 2.021 1.00 0.00 C ATOM 749 CD LYS A 52 16.872 -0.347 2.985 1.00 0.00 C ATOM 750 CE LYS A 52 16.744 0.166 4.421 1.00 0.00 C ATOM 751 NZ LYS A 52 18.079 0.270 5.054 1.00 0.00 N ATOM 0 H LYS A 52 14.570 -0.998 0.132 1.00 0.00 H new ATOM 0 HA LYS A 52 15.859 1.590 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.546 -0.776 0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.115 0.799 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.129 1.272 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.416 1.559 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.943 -0.831 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.656 -1.102 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.257 1.141 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.112 -0.508 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.975 0.619 6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.530 -0.667 5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.670 0.931 4.510 1.00 0.00 H new ATOM 765 N PRO A 53 16.018 -1.355 -1.751 1.00 0.00 N ATOM 766 CA PRO A 53 16.047 -1.980 -3.062 1.00 0.00 C ATOM 767 C PRO A 53 14.685 -1.873 -3.750 1.00 0.00 C ATOM 768 O PRO A 53 14.295 -0.796 -4.200 1.00 0.00 O ATOM 769 CB PRO A 53 16.470 -3.417 -2.804 1.00 0.00 C ATOM 770 CG PRO A 53 16.213 -3.668 -1.326 1.00 0.00 C ATOM 771 CD PRO A 53 15.984 -2.322 -0.657 1.00 0.00 C ATOM 0 HA PRO A 53 16.741 -1.491 -3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.899 -4.109 -3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.522 -3.564 -3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.344 -4.313 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.062 -4.180 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.027 -2.297 -0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.756 -2.111 0.083 1.00 0.00 H new ATOM 779 N TYR A 54 13.997 -3.004 -3.810 1.00 0.00 N ATOM 780 CA TYR A 54 12.686 -3.050 -4.436 1.00 0.00 C ATOM 781 C TYR A 54 11.598 -2.591 -3.464 1.00 0.00 C ATOM 782 O TYR A 54 10.810 -1.700 -3.783 1.00 0.00 O ATOM 783 CB TYR A 54 12.444 -4.517 -4.798 1.00 0.00 C ATOM 784 CG TYR A 54 12.978 -5.509 -3.763 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.327 -5.793 -3.712 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.109 -6.122 -2.883 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.830 -6.728 -2.738 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.612 -7.056 -1.909 1.00 0.00 C ATOM 789 CZ TYR A 54 13.947 -7.313 -1.884 1.00 0.00 C ATOM 790 OH TYR A 54 14.421 -8.196 -0.966 1.00 0.00 O ATOM 0 H TYR A 54 14.323 -3.895 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 54 12.652 -2.393 -5.305 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.373 -4.678 -4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.911 -4.725 -5.761 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.006 -5.314 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.053 -5.901 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.884 -6.959 -2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.943 -7.542 -1.214 1.00 0.00 H new ATOM 0 HH TYR A 54 13.678 -8.534 -0.423 1.00 0.00 H new ATOM 800 N GLU A 55 11.587 -3.219 -2.297 1.00 0.00 N ATOM 801 CA GLU A 55 10.608 -2.885 -1.276 1.00 0.00 C ATOM 802 C GLU A 55 10.328 -1.382 -1.281 1.00 0.00 C ATOM 803 O GLU A 55 10.761 -0.663 -0.381 1.00 0.00 O ATOM 804 CB GLU A 55 11.074 -3.351 0.104 1.00 0.00 C ATOM 805 CG GLU A 55 10.640 -4.794 0.370 1.00 0.00 C ATOM 806 CD GLU A 55 10.885 -5.180 1.831 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.065 -4.854 2.704 1.00 0.00 O ATOM 808 OE2 GLU A 55 11.970 -5.843 2.045 1.00 0.00 O ATOM 0 H GLU A 55 12.240 -3.957 -2.036 1.00 0.00 H new ATOM 0 HA GLU A 55 9.680 -3.409 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.159 -3.276 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.662 -2.696 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.583 -4.909 0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.190 -5.470 -0.285 1.00 0.00 H new ATOM 816 N GLU A 56 9.605 -0.950 -2.304 1.00 0.00 N ATOM 817 CA GLU A 56 9.262 0.457 -2.437 1.00 0.00 C ATOM 818 C GLU A 56 7.975 0.764 -1.669 1.00 0.00 C ATOM 819 O GLU A 56 6.880 0.661 -2.218 1.00 0.00 O ATOM 820 CB GLU A 56 9.128 0.851 -3.910 1.00 0.00 C ATOM 821 CG GLU A 56 10.031 2.041 -4.242 1.00 0.00 C ATOM 822 CD GLU A 56 9.323 3.020 -5.181 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.306 3.620 -4.799 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.864 3.148 -6.345 1.00 0.00 O ATOM 0 H GLU A 56 9.247 -1.549 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 56 10.069 1.050 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.390 0.003 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.091 1.104 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.316 2.554 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.951 1.686 -4.707 1.00 0.00 H new ATOM 832 N VAL A 57 8.151 1.135 -0.408 1.00 0.00 N ATOM 833 CA VAL A 57 7.018 1.458 0.441 1.00 0.00 C ATOM 834 C VAL A 57 6.832 2.975 0.480 1.00 0.00 C ATOM 835 O VAL A 57 7.770 3.728 0.219 1.00 0.00 O ATOM 836 CB VAL A 57 7.213 0.843 1.829 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.879 0.724 2.568 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.913 -0.513 1.735 1.00 0.00 C ATOM 0 H VAL A 57 9.061 1.219 0.045 1.00 0.00 H new ATOM 0 HA VAL A 57 6.102 1.029 0.036 1.00 0.00 H new ATOM 0 HB VAL A 57 7.855 1.510 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.046 0.284 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.437 1.714 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.202 0.089 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.039 -0.928 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.310 -1.193 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.890 -0.386 1.269 1.00 0.00 H new ATOM 848 N THR A 58 5.614 3.382 0.810 1.00 0.00 N ATOM 849 CA THR A 58 5.293 4.798 0.886 1.00 0.00 C ATOM 850 C THR A 58 4.655 5.128 2.237 1.00 0.00 C ATOM 851 O THR A 58 4.973 4.501 3.247 1.00 0.00 O ATOM 852 CB THR A 58 4.401 5.145 -0.308 1.00 0.00 C ATOM 853 OG1 THR A 58 4.959 4.399 -1.387 1.00 0.00 O ATOM 854 CG2 THR A 58 4.551 6.602 -0.747 1.00 0.00 C ATOM 0 H THR A 58 4.838 2.756 1.028 1.00 0.00 H new ATOM 0 HA THR A 58 6.192 5.411 0.828 1.00 0.00 H new ATOM 0 HB THR A 58 3.360 4.948 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.711 3.455 -1.295 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.897 6.795 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.278 7.260 0.078 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.585 6.791 -1.035 1.00 0.00 H new ATOM 862 N CYS A 59 3.766 6.109 2.212 1.00 0.00 N ATOM 863 CA CYS A 59 3.081 6.531 3.422 1.00 0.00 C ATOM 864 C CYS A 59 1.705 7.070 3.031 1.00 0.00 C ATOM 865 O CYS A 59 1.412 7.237 1.848 1.00 0.00 O ATOM 866 CB CYS A 59 3.897 7.563 4.204 1.00 0.00 C ATOM 867 SG CYS A 59 5.147 6.716 5.239 1.00 0.00 S ATOM 0 H CYS A 59 3.504 6.625 1.372 1.00 0.00 H new ATOM 0 HA CYS A 59 2.960 5.679 4.090 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.388 8.249 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.237 8.161 4.832 1.00 0.00 H new ATOM 0 HG CYS A 59 6.283 7.342 5.147 1.00 0.00 H new ATOM 873 N CYS A 60 0.894 7.327 4.048 1.00 0.00 N ATOM 874 CA CYS A 60 -0.445 7.843 3.827 1.00 0.00 C ATOM 875 C CYS A 60 -1.116 8.039 5.187 1.00 0.00 C ATOM 876 O CYS A 60 -1.362 7.073 5.908 1.00 0.00 O ATOM 877 CB CYS A 60 -1.263 6.925 2.914 1.00 0.00 C ATOM 878 SG CYS A 60 -2.937 6.679 3.611 1.00 0.00 S ATOM 0 H CYS A 60 1.140 7.187 5.028 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.386 8.801 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.335 7.360 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.760 5.964 2.806 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.853 6.526 4.899 1.00 0.00 H new ATOM 884 N SER A 61 -1.394 9.297 5.498 1.00 0.00 N ATOM 885 CA SER A 61 -2.030 9.633 6.761 1.00 0.00 C ATOM 886 C SER A 61 -3.465 10.106 6.512 1.00 0.00 C ATOM 887 O SER A 61 -4.359 9.837 7.315 1.00 0.00 O ATOM 888 CB SER A 61 -1.239 10.706 7.510 1.00 0.00 C ATOM 889 OG SER A 61 -1.540 12.017 7.037 1.00 0.00 O ATOM 0 H SER A 61 -1.190 10.096 4.897 1.00 0.00 H new ATOM 0 HA SER A 61 -2.050 8.738 7.383 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.462 10.644 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.172 10.515 7.397 1.00 0.00 H new ATOM 0 HG SER A 61 -1.017 12.675 7.541 1.00 0.00 H new ATOM 895 N THR A 62 -3.640 10.804 5.400 1.00 0.00 N ATOM 896 CA THR A 62 -4.949 11.318 5.038 1.00 0.00 C ATOM 897 C THR A 62 -6.008 10.218 5.162 1.00 0.00 C ATOM 898 O THR A 62 -5.673 9.040 5.274 1.00 0.00 O ATOM 899 CB THR A 62 -4.852 11.910 3.631 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.492 11.702 3.261 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.012 13.432 3.625 1.00 0.00 C ATOM 0 H THR A 62 -2.897 11.026 4.738 1.00 0.00 H new ATOM 0 HA THR A 62 -5.265 12.109 5.719 1.00 0.00 H new ATOM 0 HB THR A 62 -5.615 11.462 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.271 10.751 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.935 13.802 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.987 13.697 4.034 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.228 13.883 4.234 1.00 0.00 H new ATOM 909 N ASP A 63 -7.261 10.644 5.138 1.00 0.00 N ATOM 910 CA ASP A 63 -8.371 9.711 5.247 1.00 0.00 C ATOM 911 C ASP A 63 -8.481 8.903 3.952 1.00 0.00 C ATOM 912 O ASP A 63 -8.968 9.408 2.941 1.00 0.00 O ATOM 913 CB ASP A 63 -9.693 10.449 5.459 1.00 0.00 C ATOM 914 CG ASP A 63 -10.109 10.623 6.920 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.494 11.392 7.673 1.00 0.00 O ATOM 916 OD2 ASP A 63 -11.128 9.920 7.285 1.00 0.00 O ATOM 0 H ASP A 63 -7.534 11.622 5.045 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.182 9.060 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.620 11.434 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.481 9.909 4.934 1.00 0.00 H new ATOM 922 N LYS A 64 -8.021 7.663 4.024 1.00 0.00 N ATOM 923 CA LYS A 64 -8.061 6.781 2.869 1.00 0.00 C ATOM 924 C LYS A 64 -7.139 7.331 1.780 1.00 0.00 C ATOM 925 O LYS A 64 -7.550 7.479 0.630 1.00 0.00 O ATOM 926 CB LYS A 64 -9.505 6.573 2.406 1.00 0.00 C ATOM 927 CG LYS A 64 -10.352 5.945 3.514 1.00 0.00 C ATOM 928 CD LYS A 64 -11.832 5.929 3.130 1.00 0.00 C ATOM 929 CE LYS A 64 -12.654 5.133 4.146 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.330 3.992 3.487 1.00 0.00 N ATOM 0 H LYS A 64 -7.618 7.248 4.864 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.688 5.791 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.937 7.529 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.519 5.931 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.011 4.927 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.219 6.505 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.208 6.951 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.949 5.491 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.005 4.768 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.395 5.783 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.654 3.316 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.148 4.338 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.664 3.519 2.843 1.00 0.00 H new ATOM 944 N CYS A 65 -5.908 7.617 2.181 1.00 0.00 N ATOM 945 CA CYS A 65 -4.924 8.149 1.253 1.00 0.00 C ATOM 946 C CYS A 65 -4.016 7.001 0.809 1.00 0.00 C ATOM 947 O CYS A 65 -2.856 7.219 0.464 1.00 0.00 O ATOM 948 CB CYS A 65 -4.128 9.300 1.871 1.00 0.00 C ATOM 949 SG CYS A 65 -3.779 8.946 3.632 1.00 0.00 S ATOM 0 H CYS A 65 -5.570 7.490 3.135 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.429 8.570 0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.193 9.440 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.690 10.230 1.783 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.957 7.679 3.864 1.00 0.00 H new ATOM 955 N ASN A 66 -4.579 5.801 0.829 1.00 0.00 N ATOM 956 CA ASN A 66 -3.833 4.619 0.432 1.00 0.00 C ATOM 957 C ASN A 66 -4.373 4.105 -0.905 1.00 0.00 C ATOM 958 O ASN A 66 -4.016 3.014 -1.345 1.00 0.00 O ATOM 959 CB ASN A 66 -3.987 3.499 1.464 1.00 0.00 C ATOM 960 CG ASN A 66 -2.636 3.133 2.081 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.413 2.023 2.537 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.749 4.123 2.069 1.00 0.00 N ATOM 0 H ASN A 66 -5.542 5.622 1.114 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.782 4.895 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.676 3.814 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.424 2.620 0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.817 3.977 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.000 5.028 1.672 1.00 0.00 H new ATOM 969 N PRO A 67 -5.245 4.941 -1.531 1.00 0.00 N ATOM 970 CA PRO A 67 -5.836 4.583 -2.809 1.00 0.00 C ATOM 971 C PRO A 67 -4.823 4.737 -3.945 1.00 0.00 C ATOM 972 O PRO A 67 -4.951 5.629 -4.780 1.00 0.00 O ATOM 973 CB PRO A 67 -7.037 5.503 -2.957 1.00 0.00 C ATOM 974 CG PRO A 67 -6.807 6.651 -1.987 1.00 0.00 C ATOM 975 CD PRO A 67 -5.690 6.242 -1.039 1.00 0.00 C ATOM 0 HA PRO A 67 -6.142 3.538 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.125 5.868 -3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.963 4.976 -2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.537 7.559 -2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.719 6.870 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.877 6.968 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.047 6.176 -0.011 1.00 0.00 H new ATOM 983 N HIS A 68 -3.837 3.850 -3.938 1.00 0.00 N ATOM 984 CA HIS A 68 -2.801 3.876 -4.957 1.00 0.00 C ATOM 985 C HIS A 68 -3.420 4.241 -6.308 1.00 0.00 C ATOM 986 O HIS A 68 -4.619 4.064 -6.514 1.00 0.00 O ATOM 987 CB HIS A 68 -2.041 2.548 -4.992 1.00 0.00 C ATOM 988 CG HIS A 68 -2.931 1.334 -5.109 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.793 0.399 -6.120 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.971 0.912 -4.334 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.714 -0.539 -5.950 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.442 -0.218 -4.843 1.00 0.00 N ATOM 0 H HIS A 68 -3.734 3.110 -3.244 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.065 4.643 -4.714 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.348 2.560 -5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.441 2.460 -4.086 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.101 0.427 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.347 1.413 -3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.862 -1.405 -6.578 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.550 4.759 -7.216 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.997 5.151 -8.541 1.00 0.00 C ATOM 1003 C PRO A 69 -3.242 3.925 -9.422 1.00 0.00 C ATOM 1004 O PRO A 69 -2.295 3.297 -9.896 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.900 6.056 -9.075 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.671 5.768 -8.228 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.122 4.983 -7.006 1.00 0.00 C ATOM 0 HA PRO A 69 -3.953 5.674 -8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.705 5.853 -10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.188 7.105 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.062 5.198 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.188 6.698 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.582 4.040 -6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.939 5.541 -6.087 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.516 3.620 -9.616 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.897 2.479 -10.432 1.00 0.00 C ATOM 1017 C LYS A 70 -6.353 2.637 -10.875 1.00 0.00 C ATOM 1018 O LYS A 70 -6.684 2.390 -12.033 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.620 1.171 -9.689 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.768 1.420 -8.442 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.510 2.304 -7.437 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.991 1.928 -7.366 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.766 3.000 -6.702 1.00 0.00 N ATOM 0 H LYS A 70 -5.298 4.143 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.290 2.439 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.563 0.704 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.107 0.474 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.513 0.468 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.830 1.896 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.057 2.200 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.410 3.351 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.378 1.760 -8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.109 0.993 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.087 2.670 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.165 3.840 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.591 3.244 -7.286 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.185 3.050 -9.928 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.597 3.244 -10.207 1.00 0.00 C ATOM 1039 C GLN A 71 -8.780 4.208 -11.381 1.00 0.00 C ATOM 1040 O GLN A 71 -8.969 5.407 -11.182 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.336 3.748 -8.965 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.671 2.592 -8.019 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.263 3.112 -6.707 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -11.388 3.574 -6.644 1.00 0.00 O ATOM 1045 NE2 GLN A 71 -9.442 3.008 -5.666 1.00 0.00 N ATOM 0 H GLN A 71 -6.907 3.255 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.028 2.281 -10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.721 4.482 -8.444 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.253 4.255 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.379 1.917 -8.500 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.770 2.014 -7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.511 2.610 -5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.744 3.326 -4.745 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.717 3.648 -12.581 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.873 4.440 -13.786 1.00 0.00 C ATOM 1056 C ARG A 72 -9.574 3.624 -14.873 1.00 0.00 C ATOM 1057 O ARG A 72 -10.658 3.989 -15.327 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.517 4.917 -14.312 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.508 4.967 -15.842 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.346 5.820 -16.355 1.00 0.00 C ATOM 1061 NE ARG A 72 -5.171 4.963 -16.628 1.00 0.00 N ATOM 1062 CZ ARG A 72 -3.994 5.422 -17.103 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -3.824 6.736 -17.362 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -3.010 4.567 -17.311 1.00 0.00 N ATOM 0 H ARG A 72 -8.560 2.653 -12.743 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.479 5.310 -13.533 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.295 5.906 -13.911 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.731 4.247 -13.962 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.426 3.956 -16.242 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.452 5.377 -16.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.643 6.345 -17.263 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.089 6.580 -15.617 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.256 3.963 -16.446 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.589 7.391 -17.199 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.931 7.074 -17.721 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.145 3.576 -17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.114 4.898 -17.670 1.00 0.00 H new ATOM 1078 N PRO A 73 -8.911 2.505 -15.268 1.00 0.00 N ATOM 1079 CA PRO A 73 -9.459 1.632 -16.294 1.00 0.00 C ATOM 1080 C PRO A 73 -10.615 0.795 -15.739 1.00 0.00 C ATOM 1081 O PRO A 73 -10.418 -0.351 -15.337 1.00 0.00 O ATOM 1082 CB PRO A 73 -8.286 0.789 -16.762 1.00 0.00 C ATOM 1083 CG PRO A 73 -7.236 0.892 -15.670 1.00 0.00 C ATOM 1084 CD PRO A 73 -7.627 2.041 -14.754 1.00 0.00 C ATOM 0 HA PRO A 73 -9.892 2.183 -17.129 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.587 -0.247 -16.917 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.898 1.154 -17.713 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.176 -0.040 -15.109 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.251 1.067 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.711 1.711 -13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.881 2.836 -14.776 1.00 0.00 H new ATOM 1092 N GLY A 74 -11.794 1.399 -15.736 1.00 0.00 N ATOM 1093 CA GLY A 74 -12.980 0.722 -15.238 1.00 0.00 C ATOM 1094 C GLY A 74 -12.635 -0.201 -14.068 1.00 0.00 C ATOM 1095 O GLY A 74 -13.232 -0.102 -12.998 1.00 0.00 O ATOM 0 H GLY A 74 -11.954 2.349 -16.070 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.717 1.459 -14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.436 0.142 -16.041 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.111 -10.483 -10.850 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.449 -9.995 -9.525 1.00 0.00 C ATOM 1102 C HIS B 1 -6.178 -9.528 -8.811 1.00 0.00 C ATOM 1103 O HIS B 1 -5.415 -10.346 -8.299 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.218 -11.054 -8.735 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.045 -10.951 -7.238 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -8.837 -10.140 -6.445 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -7.162 -11.566 -6.399 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -8.441 -10.268 -5.187 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -7.402 -11.152 -5.161 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.961 -10.878 -11.302 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.745 -9.698 -11.426 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.385 -11.223 -10.772 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.114 -9.135 -9.609 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.278 -10.972 -8.974 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.893 -12.042 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -6.398 -12.270 -6.692 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -8.866 -9.762 -4.333 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -6.893 -11.446 -4.327 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.992 -8.217 -8.798 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.827 -7.633 -8.156 1.00 0.00 C ATOM 1120 C ARG B 2 -4.995 -6.117 -8.030 1.00 0.00 C ATOM 1121 O ARG B 2 -5.883 -5.534 -8.647 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.552 -7.934 -8.947 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.723 -9.020 -8.259 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.477 -8.424 -7.600 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.017 -9.302 -6.502 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.757 -9.605 -5.414 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.001 -9.102 -5.271 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.246 -10.400 -4.493 1.00 0.00 N ATOM 0 H ARG B 2 -6.629 -7.542 -9.222 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.738 -8.076 -7.164 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.813 -8.255 -9.956 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.958 -7.025 -9.045 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.330 -9.525 -7.507 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.427 -9.774 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.685 -8.307 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.700 -7.430 -7.213 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.082 -9.704 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.388 -8.488 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.554 -9.336 -4.446 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.305 -10.776 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.792 -10.639 -3.665 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.125 -5.523 -7.225 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.167 -4.087 -7.009 1.00 0.00 C ATOM 1144 C TYR B 3 -2.877 -3.422 -7.498 1.00 0.00 C ATOM 1145 O TYR B 3 -2.270 -2.632 -6.776 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.287 -3.890 -5.497 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.536 -5.184 -4.719 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.477 -5.999 -4.375 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.823 -5.536 -4.362 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.713 -7.216 -3.644 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.059 -6.754 -3.631 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.993 -7.534 -3.308 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.216 -8.683 -2.617 1.00 0.00 O ATOM 0 H TYR B 3 -3.388 -6.010 -6.715 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.998 -3.641 -7.555 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.372 -3.426 -5.128 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.101 -3.194 -5.295 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.471 -5.724 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.652 -4.898 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.893 -7.862 -3.368 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.060 -7.042 -3.346 1.00 0.00 H new ATOM 0 HH TYR B 3 -4.699 -8.669 -1.784 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.498 -3.767 -8.720 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.293 -3.213 -9.313 1.00 0.00 C ATOM 1165 C TYR B 4 -1.351 -1.685 -9.348 1.00 0.00 C ATOM 1166 O TYR B 4 -2.194 -1.076 -8.690 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.247 -3.743 -10.747 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.292 -4.923 -10.944 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.734 -6.212 -10.724 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.010 -4.698 -11.342 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.165 -7.322 -10.909 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.908 -5.807 -11.526 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.441 -7.065 -11.301 1.00 0.00 C ATOM 1174 OH TYR B 4 2.290 -8.113 -11.477 1.00 0.00 O ATOM 0 H TYR B 4 -3.004 -4.423 -9.315 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.415 -3.497 -8.734 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.251 -4.048 -11.043 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.950 -2.933 -11.413 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.753 -6.388 -10.413 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.355 -3.689 -11.515 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.167 -8.336 -10.740 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.930 -5.645 -11.836 1.00 0.00 H new ATOM 0 HH TYR B 4 3.040 -8.035 -10.851 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.445 -1.108 -10.124 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.383 0.339 -10.255 1.00 0.00 C ATOM 1186 C GLU B 5 -0.911 0.771 -11.624 1.00 0.00 C ATOM 1187 O GLU B 5 -0.379 1.697 -12.233 1.00 0.00 O ATOM 1188 CB GLU B 5 1.043 0.848 -10.031 1.00 0.00 C ATOM 1189 CG GLU B 5 1.919 0.581 -11.256 1.00 0.00 C ATOM 1190 CD GLU B 5 2.898 1.733 -11.492 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.633 2.867 -11.067 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.966 1.417 -12.144 1.00 0.00 O ATOM 0 H GLU B 5 0.252 -1.616 -10.668 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.017 0.782 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.022 1.917 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.474 0.359 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.472 -0.348 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.289 0.448 -12.136 1.00 0.00 H new ATOM 1200 N SER B 6 -1.951 0.080 -12.066 1.00 0.00 N ATOM 1201 CA SER B 6 -2.557 0.382 -13.352 1.00 0.00 C ATOM 1202 C SER B 6 -4.065 0.128 -13.292 1.00 0.00 C ATOM 1203 O SER B 6 -4.789 0.445 -14.234 1.00 0.00 O ATOM 1204 CB SER B 6 -1.923 -0.451 -14.469 1.00 0.00 C ATOM 1205 OG SER B 6 -2.573 -0.247 -15.720 1.00 0.00 O ATOM 0 H SER B 6 -2.389 -0.688 -11.557 1.00 0.00 H new ATOM 0 HA SER B 6 -2.380 1.434 -13.575 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.869 -0.191 -14.561 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.969 -1.507 -14.204 1.00 0.00 H new ATOM 0 HG SER B 6 -3.451 0.161 -15.570 1.00 0.00 H new ATOM 1211 N SER B 7 -4.492 -0.439 -12.175 1.00 0.00 N ATOM 1212 CA SER B 7 -5.902 -0.739 -11.979 1.00 0.00 C ATOM 1213 C SER B 7 -6.153 -1.144 -10.526 1.00 0.00 C ATOM 1214 O SER B 7 -5.211 -1.358 -9.763 1.00 0.00 O ATOM 1215 CB SER B 7 -6.366 -1.847 -12.928 1.00 0.00 C ATOM 1216 OG SER B 7 -7.644 -2.359 -12.563 1.00 0.00 O ATOM 0 H SER B 7 -3.888 -0.699 -11.395 1.00 0.00 H new ATOM 0 HA SER B 7 -6.478 0.159 -12.203 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.408 -1.459 -13.946 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.636 -2.657 -12.925 1.00 0.00 H new ATOM 0 HG SER B 7 -8.322 -1.661 -12.680 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.430 -1.239 -10.184 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.818 -1.613 -8.835 1.00 0.00 C ATOM 1224 C LEU B 8 -8.842 -2.750 -8.902 1.00 0.00 C ATOM 1225 O LEU B 8 -9.037 -3.471 -7.924 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.307 -0.390 -8.059 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.276 -0.509 -6.533 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.448 -1.351 -6.026 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.930 -1.051 -6.051 1.00 0.00 C ATOM 0 H LEU B 8 -8.209 -1.063 -10.818 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.958 -1.989 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.699 0.467 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.330 -0.174 -8.366 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.389 0.489 -6.111 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.403 -1.420 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.387 -0.883 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.390 -2.351 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.936 -1.125 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.760 -2.038 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.133 -0.377 -6.364 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.468 -2.872 -10.062 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.467 -3.906 -10.269 1.00 0.00 C ATOM 1243 C GLU B 9 -9.796 -5.219 -10.676 1.00 0.00 C ATOM 1244 O GLU B 9 -8.812 -5.215 -11.414 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.500 -3.473 -11.310 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.134 -2.132 -10.929 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.624 -2.298 -10.624 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -14.051 -2.063 -9.484 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.345 -2.685 -11.620 1.00 0.00 O ATOM 0 H GLU B 9 -9.303 -2.271 -10.870 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.994 -4.066 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.024 -3.390 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.275 -4.234 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.625 -1.719 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.003 -1.419 -11.743 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.369 -6.341 -10.164 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.835 -7.659 -10.467 1.00 0.00 C ATOM 1259 C PRO B 10 -10.198 -8.083 -11.892 1.00 0.00 C ATOM 1260 O PRO B 10 -10.391 -9.267 -12.161 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.425 -8.575 -9.406 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.624 -7.835 -8.836 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.534 -6.386 -9.285 1.00 0.00 C ATOM 0 HA PRO B 10 -8.746 -7.689 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.725 -9.530 -9.837 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.694 -8.792 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.553 -8.286 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.629 -7.898 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.438 -6.077 -9.810 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.414 -5.715 -8.435 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.280 -7.092 -12.767 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.617 -7.346 -14.157 1.00 0.00 C ATOM 1273 C TRP B 11 -9.582 -6.637 -15.031 1.00 0.00 C ATOM 1274 O TRP B 11 -9.181 -7.157 -16.072 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.053 -6.915 -14.461 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.798 -7.858 -15.408 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.711 -9.193 -15.481 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.755 -7.481 -16.421 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.536 -9.701 -16.462 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.193 -8.627 -17.051 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.236 -6.212 -16.790 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.131 -8.619 -18.091 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.173 -6.222 -17.831 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.623 -7.366 -18.476 1.00 0.00 C ATOM 0 H TRP B 11 -10.119 -6.111 -12.540 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.582 -8.414 -14.373 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.606 -6.845 -13.525 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.037 -5.916 -14.897 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.074 -9.796 -14.850 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.644 -10.684 -16.710 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.909 -5.302 -16.309 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.457 -9.530 -18.570 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.574 -5.273 -18.155 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.350 -7.290 -19.271 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.178 -5.459 -14.578 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.196 -4.673 -15.306 1.00 0.00 C ATOM 1297 C TYR B 12 -6.788 -4.902 -14.753 1.00 0.00 C ATOM 1298 O TYR B 12 -5.813 -4.890 -15.502 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.584 -3.209 -15.090 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.809 -2.764 -15.892 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -9.657 -2.303 -17.185 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -11.064 -2.824 -15.324 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -10.808 -1.885 -17.939 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.216 -2.405 -16.080 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.031 -1.956 -17.350 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.120 -1.560 -18.063 1.00 0.00 O ATOM 0 H TYR B 12 -9.513 -5.030 -13.716 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.187 -4.953 -16.359 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.779 -3.048 -14.030 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.738 -2.576 -15.358 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -8.674 -2.256 -17.630 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -11.183 -3.185 -14.313 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -10.703 -1.523 -18.951 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -13.205 -2.447 -15.648 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.926 -1.667 -17.516 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.726 -5.113 -13.411 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.455 -5.345 -12.747 1.00 0.00 C ATOM 1318 C PRO B 13 -4.940 -6.758 -13.028 1.00 0.00 C ATOM 1319 O PRO B 13 -3.753 -6.952 -13.285 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.728 -5.093 -11.273 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.236 -5.185 -11.108 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.861 -5.135 -12.492 1.00 0.00 C ATOM 0 HA PRO B 13 -4.665 -4.687 -13.109 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.221 -5.830 -10.650 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.361 -4.113 -10.970 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.508 -6.110 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.603 -4.363 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.498 -6.001 -12.670 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.485 -4.250 -12.613 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.860 -7.710 -12.969 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.515 -9.101 -13.213 1.00 0.00 C ATOM 1332 C ASP B 14 -6.796 -9.919 -13.377 1.00 0.00 C ATOM 1333 O ASP B 14 -7.793 -9.420 -13.897 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.726 -9.686 -12.040 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.736 -11.214 -11.951 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.040 -11.908 -12.933 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.413 -11.695 -10.799 1.00 0.00 O ATOM 0 H ASP B 14 -6.844 -7.546 -12.756 1.00 0.00 H new ATOM 0 HA ASP B 14 -4.905 -9.144 -14.115 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.692 -9.348 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.129 -9.280 -11.112 1.00 0.00 H new TER 1343 ASP B 14