USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 30 HIS : no HD1:sc= -0.285 X(o=-3.1,f=-3.1) USER MOD Set 1.2: A 41 MET CE :methyl -156:sc= -2.79 (180deg=-4.2!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.04 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.749) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.17) USER MOD Single : A 25 GLN : amide:sc= -0.0921 K(o=-0.092,f=-1.9) USER MOD Single : A 28 THR OG1 : rot 69:sc= 0.0424 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.579) USER MOD Single : A 55 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.77) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.841 K(o=-0.84,f=-0.26) USER MOD Single : A 67 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.08) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0127 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0515 (180deg=-0.349) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 78 SER OG : rot -70:sc= 1.22 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 97:sc= -0.0728 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.699 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.491 -6.178 5.168 1.00 0.00 N ATOM 2 CA GLY A 1 6.831 -6.189 4.608 1.00 0.00 C ATOM 3 C GLY A 1 6.836 -5.948 3.112 1.00 0.00 C ATOM 4 O GLY A 1 5.844 -6.207 2.431 1.00 0.00 O ATOM 0 H1 GLY A 1 5.377 -5.345 5.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.793 -6.140 4.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.342 -7.042 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.433 -5.424 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.302 -7.149 4.820 1.00 0.00 H new ATOM 8 N SER A 2 7.956 -5.451 2.598 1.00 0.00 N ATOM 9 CA SER A 2 8.085 -5.169 1.173 1.00 0.00 C ATOM 10 C SER A 2 8.697 -6.359 0.438 1.00 0.00 C ATOM 11 O SER A 2 8.234 -6.744 -0.636 1.00 0.00 O ATOM 12 CB SER A 2 8.944 -3.923 0.953 1.00 0.00 C ATOM 13 OG SER A 2 8.221 -2.744 1.263 1.00 0.00 O ATOM 0 H SER A 2 8.788 -5.235 3.147 1.00 0.00 H new ATOM 0 HA SER A 2 7.088 -4.989 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.838 -3.979 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.278 -3.886 -0.084 1.00 0.00 H new ATOM 0 HG SER A 2 8.792 -1.962 1.116 1.00 0.00 H new ATOM 19 N SER A 3 9.739 -6.937 1.026 1.00 0.00 N ATOM 20 CA SER A 3 10.418 -8.080 0.425 1.00 0.00 C ATOM 21 C SER A 3 9.559 -9.336 0.529 1.00 0.00 C ATOM 22 O SER A 3 9.178 -9.754 1.622 1.00 0.00 O ATOM 23 CB SER A 3 11.768 -8.313 1.106 1.00 0.00 C ATOM 24 OG SER A 3 12.436 -9.430 0.545 1.00 0.00 O ATOM 0 H SER A 3 10.132 -6.633 1.917 1.00 0.00 H new ATOM 0 HA SER A 3 10.585 -7.861 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.390 -7.424 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.617 -8.474 2.174 1.00 0.00 H new ATOM 0 HG SER A 3 13.297 -9.557 0.996 1.00 0.00 H new ATOM 30 N GLY A 4 9.257 -9.936 -0.619 1.00 0.00 N ATOM 31 CA GLY A 4 8.446 -11.139 -0.637 1.00 0.00 C ATOM 32 C GLY A 4 7.096 -10.937 0.021 1.00 0.00 C ATOM 33 O GLY A 4 6.859 -9.918 0.669 1.00 0.00 O ATOM 0 H GLY A 4 9.560 -9.610 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.300 -11.460 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.979 -11.941 -0.126 1.00 0.00 H new ATOM 37 N SER A 5 6.206 -11.910 -0.147 1.00 0.00 N ATOM 38 CA SER A 5 4.870 -11.833 0.432 1.00 0.00 C ATOM 39 C SER A 5 4.098 -13.127 0.192 1.00 0.00 C ATOM 40 O SER A 5 4.476 -13.941 -0.649 1.00 0.00 O ATOM 41 CB SER A 5 4.102 -10.650 -0.163 1.00 0.00 C ATOM 42 OG SER A 5 3.823 -10.862 -1.536 1.00 0.00 O ATOM 0 H SER A 5 6.386 -12.761 -0.680 1.00 0.00 H new ATOM 0 HA SER A 5 4.974 -11.687 1.507 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.170 -10.506 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.685 -9.737 -0.044 1.00 0.00 H new ATOM 0 HG SER A 5 3.330 -10.093 -1.892 1.00 0.00 H new ATOM 48 N SER A 6 3.014 -13.308 0.940 1.00 0.00 N ATOM 49 CA SER A 6 2.190 -14.505 0.812 1.00 0.00 C ATOM 50 C SER A 6 0.775 -14.145 0.369 1.00 0.00 C ATOM 51 O SER A 6 0.132 -13.274 0.953 1.00 0.00 O ATOM 52 CB SER A 6 2.143 -15.261 2.142 1.00 0.00 C ATOM 53 OG SER A 6 1.914 -16.644 1.934 1.00 0.00 O ATOM 0 H SER A 6 2.686 -12.642 1.640 1.00 0.00 H new ATOM 0 HA SER A 6 2.638 -15.146 0.053 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.082 -15.121 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.354 -14.849 2.771 1.00 0.00 H new ATOM 0 HG SER A 6 1.890 -17.105 2.798 1.00 0.00 H new ATOM 59 N GLY A 7 0.297 -14.824 -0.670 1.00 0.00 N ATOM 60 CA GLY A 7 -1.038 -14.563 -1.175 1.00 0.00 C ATOM 61 C GLY A 7 -1.036 -13.604 -2.350 1.00 0.00 C ATOM 62 O GLY A 7 -0.063 -13.507 -3.097 1.00 0.00 O ATOM 0 H GLY A 7 0.810 -15.550 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.499 -15.503 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.652 -14.151 -0.374 1.00 0.00 H new ATOM 66 N PRO A 8 -2.149 -12.876 -2.526 1.00 0.00 N ATOM 67 CA PRO A 8 -2.297 -11.909 -3.617 1.00 0.00 C ATOM 68 C PRO A 8 -1.407 -10.684 -3.431 1.00 0.00 C ATOM 69 O PRO A 8 -1.318 -10.129 -2.336 1.00 0.00 O ATOM 70 CB PRO A 8 -3.773 -11.512 -3.542 1.00 0.00 C ATOM 71 CG PRO A 8 -4.161 -11.758 -2.125 1.00 0.00 C ATOM 72 CD PRO A 8 -3.347 -12.940 -1.673 1.00 0.00 C ATOM 0 HA PRO A 8 -2.003 -12.331 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.916 -10.467 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.378 -12.106 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.957 -10.884 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.228 -11.964 -2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.091 -12.871 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.888 -13.876 -1.810 1.00 0.00 H new ATOM 80 N LYS A 9 -0.750 -10.266 -4.509 1.00 0.00 N ATOM 81 CA LYS A 9 0.132 -9.106 -4.465 1.00 0.00 C ATOM 82 C LYS A 9 -0.664 -7.826 -4.233 1.00 0.00 C ATOM 83 O LYS A 9 -1.184 -7.228 -5.174 1.00 0.00 O ATOM 84 CB LYS A 9 0.928 -8.996 -5.768 1.00 0.00 C ATOM 85 CG LYS A 9 2.296 -8.358 -5.593 1.00 0.00 C ATOM 86 CD LYS A 9 3.195 -8.634 -6.786 1.00 0.00 C ATOM 87 CE LYS A 9 2.970 -7.623 -7.900 1.00 0.00 C ATOM 88 NZ LYS A 9 1.828 -8.009 -8.776 1.00 0.00 N ATOM 0 H LYS A 9 -0.812 -10.714 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 9 0.824 -9.238 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.053 -9.992 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.353 -8.412 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.183 -7.282 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.764 -8.741 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.238 -8.604 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.004 -9.639 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.780 -6.641 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.876 -7.536 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.994 -7.654 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.743 -9.045 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.949 -7.598 -8.402 1.00 0.00 H new ATOM 102 N ALA A 10 -0.753 -7.410 -2.974 1.00 0.00 N ATOM 103 CA ALA A 10 -1.482 -6.199 -2.619 1.00 0.00 C ATOM 104 C ALA A 10 -1.046 -5.022 -3.484 1.00 0.00 C ATOM 105 O ALA A 10 0.128 -4.653 -3.528 1.00 0.00 O ATOM 106 CB ALA A 10 -1.284 -5.875 -1.146 1.00 0.00 C ATOM 0 H ALA A 10 -0.329 -7.894 -2.183 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.542 -6.377 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.834 -4.968 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.652 -6.702 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.223 -5.722 -0.946 1.00 0.00 H new ATOM 112 N PRO A 11 -2.011 -4.416 -4.193 1.00 0.00 N ATOM 113 CA PRO A 11 -1.750 -3.272 -5.070 1.00 0.00 C ATOM 114 C PRO A 11 -1.396 -2.011 -4.289 1.00 0.00 C ATOM 115 O PRO A 11 -1.675 -1.910 -3.095 1.00 0.00 O ATOM 116 CB PRO A 11 -3.075 -3.086 -5.815 1.00 0.00 C ATOM 117 CG PRO A 11 -4.104 -3.663 -4.906 1.00 0.00 C ATOM 118 CD PRO A 11 -3.432 -4.802 -4.189 1.00 0.00 C ATOM 0 HA PRO A 11 -0.898 -3.448 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.271 -2.033 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.064 -3.599 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.464 -2.915 -4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.970 -4.013 -5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.814 -4.920 -3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.592 -5.750 -4.702 1.00 0.00 H new ATOM 126 N VAL A 12 -0.781 -1.051 -4.972 1.00 0.00 N ATOM 127 CA VAL A 12 -0.390 0.205 -4.342 1.00 0.00 C ATOM 128 C VAL A 12 -1.587 1.137 -4.186 1.00 0.00 C ATOM 129 O VAL A 12 -2.357 1.341 -5.126 1.00 0.00 O ATOM 130 CB VAL A 12 0.704 0.924 -5.154 1.00 0.00 C ATOM 131 CG1 VAL A 12 2.003 0.135 -5.116 1.00 0.00 C ATOM 132 CG2 VAL A 12 0.245 1.143 -6.588 1.00 0.00 C ATOM 0 H VAL A 12 -0.543 -1.119 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 12 0.004 -0.044 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 12 0.886 1.899 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.764 0.659 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.338 0.035 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.840 -0.855 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.030 1.652 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.034 0.180 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.658 1.754 -6.592 1.00 0.00 H new ATOM 142 N THR A 13 -1.739 1.701 -2.991 1.00 0.00 N ATOM 143 CA THR A 13 -2.842 2.610 -2.710 1.00 0.00 C ATOM 144 C THR A 13 -2.831 3.799 -3.664 1.00 0.00 C ATOM 145 O THR A 13 -1.776 4.356 -3.966 1.00 0.00 O ATOM 146 CB THR A 13 -2.786 3.130 -1.261 1.00 0.00 C ATOM 147 OG1 THR A 13 -1.654 3.989 -1.091 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.704 1.974 -0.275 1.00 0.00 C ATOM 0 H THR A 13 -1.111 1.543 -2.203 1.00 0.00 H new ATOM 0 HA THR A 13 -3.762 2.043 -2.850 1.00 0.00 H new ATOM 0 HB THR A 13 -3.699 3.692 -1.065 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.627 4.316 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.665 2.365 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.582 1.338 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.805 1.390 -0.473 1.00 0.00 H new ATOM 156 N GLY A 14 -4.013 4.184 -4.137 1.00 0.00 N ATOM 157 CA GLY A 14 -4.116 5.305 -5.052 1.00 0.00 C ATOM 158 C GLY A 14 -3.131 6.411 -4.729 1.00 0.00 C ATOM 159 O GLY A 14 -2.648 7.104 -5.625 1.00 0.00 O ATOM 0 H GLY A 14 -4.900 3.739 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.944 4.956 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.130 5.705 -5.019 1.00 0.00 H new ATOM 163 N TYR A 15 -2.832 6.577 -3.445 1.00 0.00 N ATOM 164 CA TYR A 15 -1.901 7.609 -3.005 1.00 0.00 C ATOM 165 C TYR A 15 -0.476 7.278 -3.439 1.00 0.00 C ATOM 166 O TYR A 15 0.261 8.147 -3.904 1.00 0.00 O ATOM 167 CB TYR A 15 -1.960 7.764 -1.484 1.00 0.00 C ATOM 168 CG TYR A 15 -0.758 8.473 -0.900 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.353 9.710 -1.385 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.028 7.905 0.137 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.745 10.360 -0.856 1.00 0.00 C ATOM 172 CE2 TYR A 15 1.069 8.549 0.674 1.00 0.00 C ATOM 173 CZ TYR A 15 1.452 9.775 0.174 1.00 0.00 C ATOM 174 OH TYR A 15 2.545 10.421 0.706 1.00 0.00 O ATOM 0 H TYR A 15 -3.221 6.010 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.194 8.550 -3.471 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.861 8.316 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.045 6.777 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.906 10.172 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.324 6.943 0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.048 11.320 -1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.624 8.095 1.481 1.00 0.00 H new ATOM 0 HH TYR A 15 2.930 9.876 1.424 1.00 0.00 H new ATOM 184 N VAL A 16 -0.095 6.015 -3.282 1.00 0.00 N ATOM 185 CA VAL A 16 1.240 5.566 -3.659 1.00 0.00 C ATOM 186 C VAL A 16 1.383 5.479 -5.174 1.00 0.00 C ATOM 187 O VAL A 16 2.333 6.010 -5.750 1.00 0.00 O ATOM 188 CB VAL A 16 1.565 4.193 -3.043 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.898 3.676 -3.564 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.573 4.278 -1.525 1.00 0.00 C ATOM 0 H VAL A 16 -0.692 5.284 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 16 1.943 6.304 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 16 0.788 3.488 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.111 2.705 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.850 3.575 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.689 4.378 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.804 3.298 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.327 4.997 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.593 4.600 -1.173 1.00 0.00 H new ATOM 200 N ARG A 17 0.434 4.805 -5.815 1.00 0.00 N ATOM 201 CA ARG A 17 0.455 4.647 -7.265 1.00 0.00 C ATOM 202 C ARG A 17 0.922 5.931 -7.944 1.00 0.00 C ATOM 203 O ARG A 17 1.768 5.900 -8.838 1.00 0.00 O ATOM 204 CB ARG A 17 -0.934 4.263 -7.776 1.00 0.00 C ATOM 205 CG ARG A 17 -0.919 3.604 -9.146 1.00 0.00 C ATOM 206 CD ARG A 17 -2.316 3.200 -9.587 1.00 0.00 C ATOM 207 NE ARG A 17 -2.289 2.133 -10.583 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.188 0.844 -10.276 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.105 0.466 -9.008 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.170 -0.069 -11.239 1.00 0.00 N ATOM 0 H ARG A 17 -0.359 4.359 -5.354 1.00 0.00 H new ATOM 0 HA ARG A 17 1.158 3.851 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.400 3.585 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.556 5.157 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.491 4.291 -9.876 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.276 2.724 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.889 2.872 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.831 4.068 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.351 2.391 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.119 1.165 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.028 -0.524 -8.775 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.234 0.218 -12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.092 -1.058 -11.003 1.00 0.00 H new ATOM 224 N PHE A 18 0.365 7.058 -7.515 1.00 0.00 N ATOM 225 CA PHE A 18 0.723 8.353 -8.083 1.00 0.00 C ATOM 226 C PHE A 18 2.185 8.684 -7.801 1.00 0.00 C ATOM 227 O PHE A 18 2.898 9.191 -8.669 1.00 0.00 O ATOM 228 CB PHE A 18 -0.179 9.451 -7.516 1.00 0.00 C ATOM 229 CG PHE A 18 0.457 10.810 -7.518 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.407 11.147 -6.567 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.106 11.753 -8.471 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.995 12.398 -6.567 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.690 13.006 -8.476 1.00 0.00 C ATOM 234 CZ PHE A 18 1.636 13.329 -7.522 1.00 0.00 C ATOM 0 H PHE A 18 -0.336 7.101 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 18 0.582 8.299 -9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.100 9.489 -8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.457 9.190 -6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.691 10.424 -5.817 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.633 11.506 -9.219 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.735 12.647 -5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.407 13.731 -9.224 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.094 14.307 -7.523 1.00 0.00 H new ATOM 244 N LEU A 19 2.626 8.396 -6.582 1.00 0.00 N ATOM 245 CA LEU A 19 4.004 8.664 -6.182 1.00 0.00 C ATOM 246 C LEU A 19 4.986 7.922 -7.085 1.00 0.00 C ATOM 247 O LEU A 19 5.933 8.510 -7.604 1.00 0.00 O ATOM 248 CB LEU A 19 4.222 8.255 -4.726 1.00 0.00 C ATOM 249 CG LEU A 19 3.434 9.044 -3.681 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.466 8.333 -2.338 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.985 10.457 -3.551 1.00 0.00 C ATOM 0 H LEU A 19 2.050 7.977 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 19 4.184 9.734 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.967 7.200 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.284 8.349 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 19 2.397 9.108 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.900 8.910 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.023 7.342 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.498 8.236 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.411 11.004 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.031 10.413 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.908 10.967 -4.511 1.00 0.00 H new ATOM 263 N ASN A 20 4.751 6.626 -7.266 1.00 0.00 N ATOM 264 CA ASN A 20 5.613 5.803 -8.107 1.00 0.00 C ATOM 265 C ASN A 20 5.634 6.325 -9.540 1.00 0.00 C ATOM 266 O ASN A 20 6.697 6.590 -10.099 1.00 0.00 O ATOM 267 CB ASN A 20 5.141 4.348 -8.088 1.00 0.00 C ATOM 268 CG ASN A 20 5.745 3.560 -6.943 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.966 3.485 -6.801 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.890 2.965 -6.118 1.00 0.00 N ATOM 0 H ASN A 20 3.971 6.123 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 20 6.625 5.854 -7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.054 4.322 -8.010 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.404 3.871 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.238 2.420 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.886 3.054 -6.273 1.00 0.00 H new ATOM 277 N GLU A 21 4.451 6.470 -10.129 1.00 0.00 N ATOM 278 CA GLU A 21 4.334 6.960 -11.497 1.00 0.00 C ATOM 279 C GLU A 21 5.038 8.304 -11.656 1.00 0.00 C ATOM 280 O GLU A 21 5.772 8.523 -12.619 1.00 0.00 O ATOM 281 CB GLU A 21 2.861 7.093 -11.890 1.00 0.00 C ATOM 282 CG GLU A 21 2.633 7.124 -13.392 1.00 0.00 C ATOM 283 CD GLU A 21 2.484 5.738 -13.988 1.00 0.00 C ATOM 284 OE1 GLU A 21 1.538 5.023 -13.596 1.00 0.00 O ATOM 285 OE2 GLU A 21 3.311 5.368 -14.847 1.00 0.00 O ATOM 0 H GLU A 21 3.561 6.255 -9.680 1.00 0.00 H new ATOM 0 HA GLU A 21 4.815 6.238 -12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.303 6.260 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.457 8.005 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.737 7.706 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.468 7.634 -13.872 1.00 0.00 H new ATOM 292 N ARG A 22 4.806 9.202 -10.703 1.00 0.00 N ATOM 293 CA ARG A 22 5.417 10.526 -10.738 1.00 0.00 C ATOM 294 C ARG A 22 6.889 10.457 -10.344 1.00 0.00 C ATOM 295 O ARG A 22 7.689 11.303 -10.744 1.00 0.00 O ATOM 296 CB ARG A 22 4.672 11.479 -9.802 1.00 0.00 C ATOM 297 CG ARG A 22 3.432 12.100 -10.424 1.00 0.00 C ATOM 298 CD ARG A 22 3.796 13.188 -11.422 1.00 0.00 C ATOM 299 NE ARG A 22 2.689 13.498 -12.322 1.00 0.00 N ATOM 300 CZ ARG A 22 2.368 12.754 -13.375 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.065 11.663 -13.658 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.346 13.101 -14.148 1.00 0.00 N ATOM 0 H ARG A 22 4.201 9.037 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 22 5.350 10.903 -11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.384 10.938 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.350 12.274 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.848 11.327 -10.923 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.801 12.520 -9.640 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.089 14.090 -10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.660 12.870 -12.006 1.00 0.00 H new ATOM 0 HE ARG A 22 2.132 14.331 -12.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.851 11.392 -13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.816 11.094 -14.467 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.806 13.940 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.101 12.529 -14.956 1.00 0.00 H new ATOM 316 N ARG A 23 7.239 9.444 -9.558 1.00 0.00 N ATOM 317 CA ARG A 23 8.614 9.266 -9.108 1.00 0.00 C ATOM 318 C ARG A 23 9.587 9.366 -10.281 1.00 0.00 C ATOM 319 O ARG A 23 10.469 10.224 -10.296 1.00 0.00 O ATOM 320 CB ARG A 23 8.775 7.913 -8.414 1.00 0.00 C ATOM 321 CG ARG A 23 10.144 7.709 -7.786 1.00 0.00 C ATOM 322 CD ARG A 23 10.531 6.239 -7.760 1.00 0.00 C ATOM 323 NE ARG A 23 9.888 5.522 -6.661 1.00 0.00 N ATOM 324 CZ ARG A 23 10.226 5.678 -5.385 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.193 6.519 -5.050 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.594 4.991 -4.442 1.00 0.00 N ATOM 0 H ARG A 23 6.589 8.734 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 23 8.843 10.061 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.012 7.818 -7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.595 7.119 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.890 8.273 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.142 8.104 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.254 5.775 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.613 6.151 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 23 9.139 4.866 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.681 7.049 -5.772 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.450 6.636 -4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.849 4.343 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.854 5.111 -3.463 1.00 0.00 H new ATOM 340 N GLU A 24 9.418 8.483 -11.260 1.00 0.00 N ATOM 341 CA GLU A 24 10.281 8.472 -12.435 1.00 0.00 C ATOM 342 C GLU A 24 10.598 9.893 -12.891 1.00 0.00 C ATOM 343 O GLU A 24 11.761 10.288 -12.961 1.00 0.00 O ATOM 344 CB GLU A 24 9.620 7.694 -13.574 1.00 0.00 C ATOM 345 CG GLU A 24 10.395 7.748 -14.879 1.00 0.00 C ATOM 346 CD GLU A 24 10.197 6.509 -15.729 1.00 0.00 C ATOM 347 OE1 GLU A 24 10.236 5.393 -15.167 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.003 6.652 -16.954 1.00 0.00 O ATOM 0 H GLU A 24 8.692 7.767 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 24 11.215 7.980 -12.163 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.505 6.653 -13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.618 8.090 -13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.084 8.626 -15.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.456 7.869 -14.662 1.00 0.00 H new ATOM 355 N GLN A 25 9.553 10.655 -13.200 1.00 0.00 N ATOM 356 CA GLN A 25 9.719 12.031 -13.651 1.00 0.00 C ATOM 357 C GLN A 25 10.664 12.796 -12.730 1.00 0.00 C ATOM 358 O GLN A 25 11.443 13.636 -13.183 1.00 0.00 O ATOM 359 CB GLN A 25 8.364 12.738 -13.711 1.00 0.00 C ATOM 360 CG GLN A 25 7.571 12.429 -14.970 1.00 0.00 C ATOM 361 CD GLN A 25 8.193 13.032 -16.214 1.00 0.00 C ATOM 362 OE1 GLN A 25 9.099 13.861 -16.130 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.708 12.617 -17.379 1.00 0.00 N ATOM 0 H GLN A 25 8.584 10.342 -13.146 1.00 0.00 H new ATOM 0 HA GLN A 25 10.154 12.008 -14.650 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.775 12.450 -12.841 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.522 13.815 -13.647 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.497 11.348 -15.092 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.555 12.807 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.956 11.928 -17.402 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.087 12.987 -18.250 1.00 0.00 H new ATOM 372 N ILE A 26 10.591 12.499 -11.437 1.00 0.00 N ATOM 373 CA ILE A 26 11.441 13.158 -10.454 1.00 0.00 C ATOM 374 C ILE A 26 12.863 12.610 -10.502 1.00 0.00 C ATOM 375 O ILE A 26 13.833 13.363 -10.405 1.00 0.00 O ATOM 376 CB ILE A 26 10.886 12.989 -9.027 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.425 13.441 -8.968 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.729 13.775 -8.034 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.222 14.882 -9.377 1.00 0.00 C ATOM 0 H ILE A 26 9.952 11.807 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 26 11.454 14.218 -10.707 1.00 0.00 H new ATOM 0 HB ILE A 26 10.932 11.934 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.828 12.800 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.051 13.304 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.324 13.645 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.756 13.411 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.712 14.832 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.163 15.133 -9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.791 15.532 -8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.565 15.021 -10.402 1.00 0.00 H new ATOM 391 N ARG A 27 12.981 11.295 -10.653 1.00 0.00 N ATOM 392 CA ARG A 27 14.285 10.647 -10.714 1.00 0.00 C ATOM 393 C ARG A 27 15.093 11.162 -11.901 1.00 0.00 C ATOM 394 O ARG A 27 16.295 11.408 -11.789 1.00 0.00 O ATOM 395 CB ARG A 27 14.119 9.129 -10.816 1.00 0.00 C ATOM 396 CG ARG A 27 13.837 8.456 -9.483 1.00 0.00 C ATOM 397 CD ARG A 27 15.103 8.318 -8.651 1.00 0.00 C ATOM 398 NE ARG A 27 14.926 7.393 -7.535 1.00 0.00 N ATOM 399 CZ ARG A 27 14.993 6.072 -7.658 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.232 5.524 -8.841 1.00 0.00 N ATOM 401 NH2 ARG A 27 14.822 5.296 -6.595 1.00 0.00 N ATOM 0 H ARG A 27 12.189 10.658 -10.735 1.00 0.00 H new ATOM 0 HA ARG A 27 14.825 10.886 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.304 8.907 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.025 8.701 -11.245 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.098 9.036 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.404 7.471 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.918 7.969 -9.286 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.394 9.296 -8.268 1.00 0.00 H new ATOM 0 HE ARG A 27 14.741 7.782 -6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.365 6.117 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.283 4.509 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.639 5.714 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.874 4.282 -6.690 1.00 0.00 H new ATOM 415 N THR A 28 14.426 11.323 -13.040 1.00 0.00 N ATOM 416 CA THR A 28 15.081 11.808 -14.247 1.00 0.00 C ATOM 417 C THR A 28 15.693 13.186 -14.027 1.00 0.00 C ATOM 418 O THR A 28 16.817 13.452 -14.451 1.00 0.00 O ATOM 419 CB THR A 28 14.098 11.879 -15.430 1.00 0.00 C ATOM 420 OG1 THR A 28 13.527 10.587 -15.671 1.00 0.00 O ATOM 421 CG2 THR A 28 14.798 12.372 -16.688 1.00 0.00 C ATOM 0 H THR A 28 13.432 11.124 -13.151 1.00 0.00 H new ATOM 0 HA THR A 28 15.872 11.096 -14.483 1.00 0.00 H new ATOM 0 HB THR A 28 13.307 12.584 -15.174 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.936 10.347 -14.927 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.083 12.414 -17.510 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.206 13.367 -16.511 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.607 11.689 -16.946 1.00 0.00 H new ATOM 429 N ARG A 29 14.945 14.060 -13.359 1.00 0.00 N ATOM 430 CA ARG A 29 15.415 15.413 -13.082 1.00 0.00 C ATOM 431 C ARG A 29 16.486 15.404 -11.996 1.00 0.00 C ATOM 432 O ARG A 29 17.573 15.954 -12.177 1.00 0.00 O ATOM 433 CB ARG A 29 14.246 16.303 -12.654 1.00 0.00 C ATOM 434 CG ARG A 29 13.518 16.952 -13.819 1.00 0.00 C ATOM 435 CD ARG A 29 12.099 17.347 -13.439 1.00 0.00 C ATOM 436 NE ARG A 29 11.371 17.924 -14.565 1.00 0.00 N ATOM 437 CZ ARG A 29 10.951 17.217 -15.608 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.187 15.915 -15.669 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.295 17.815 -16.595 1.00 0.00 N ATOM 0 H ARG A 29 14.012 13.855 -13.000 1.00 0.00 H new ATOM 0 HA ARG A 29 15.853 15.814 -13.996 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.537 15.706 -12.080 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.618 17.082 -11.989 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.067 17.835 -14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.491 16.262 -14.663 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.565 16.470 -13.073 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.130 18.066 -12.621 1.00 0.00 H new ATOM 0 HE ARG A 29 11.174 18.925 -14.550 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.693 15.452 -14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.863 15.375 -16.471 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.113 18.818 -16.553 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.973 17.272 -17.396 1.00 0.00 H new ATOM 453 N HIS A 30 16.172 14.778 -10.867 1.00 0.00 N ATOM 454 CA HIS A 30 17.107 14.698 -9.750 1.00 0.00 C ATOM 455 C HIS A 30 17.437 13.245 -9.420 1.00 0.00 C ATOM 456 O HIS A 30 16.873 12.649 -8.503 1.00 0.00 O ATOM 457 CB HIS A 30 16.527 15.394 -8.519 1.00 0.00 C ATOM 458 CG HIS A 30 15.662 16.572 -8.849 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.158 17.848 -9.013 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.325 16.661 -9.048 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.165 18.671 -9.296 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.042 17.975 -9.323 1.00 0.00 N ATOM 0 H HIS A 30 15.277 14.318 -10.701 1.00 0.00 H new ATOM 0 HA HIS A 30 18.027 15.204 -10.043 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.943 14.674 -7.946 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.345 15.723 -7.878 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.614 15.849 -8.999 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.255 19.732 -9.475 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.115 18.353 -9.517 1.00 0.00 H new ATOM 471 N PRO A 31 18.371 12.662 -10.186 1.00 0.00 N ATOM 472 CA PRO A 31 18.796 11.271 -9.994 1.00 0.00 C ATOM 473 C PRO A 31 19.592 11.082 -8.706 1.00 0.00 C ATOM 474 O PRO A 31 20.013 9.970 -8.385 1.00 0.00 O ATOM 475 CB PRO A 31 19.680 10.999 -11.213 1.00 0.00 C ATOM 476 CG PRO A 31 20.183 12.340 -11.624 1.00 0.00 C ATOM 477 CD PRO A 31 19.084 13.313 -11.297 1.00 0.00 C ATOM 0 HA PRO A 31 17.947 10.593 -9.907 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.502 10.327 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.113 10.526 -12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.100 12.593 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.417 12.359 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.482 14.285 -11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.429 13.481 -12.152 1.00 0.00 H new ATOM 485 N ASP A 32 19.793 12.171 -7.974 1.00 0.00 N ATOM 486 CA ASP A 32 20.537 12.125 -6.721 1.00 0.00 C ATOM 487 C ASP A 32 19.588 12.113 -5.526 1.00 0.00 C ATOM 488 O ASP A 32 19.904 11.555 -4.475 1.00 0.00 O ATOM 489 CB ASP A 32 21.487 13.318 -6.622 1.00 0.00 C ATOM 490 CG ASP A 32 22.747 13.124 -7.442 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.144 11.959 -7.655 1.00 0.00 O ATOM 492 OD2 ASP A 32 23.336 14.138 -7.873 1.00 0.00 O ATOM 0 H ASP A 32 19.451 13.098 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 32 21.121 11.205 -6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.972 14.218 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.757 13.478 -5.578 1.00 0.00 H new ATOM 497 N LEU A 33 18.426 12.734 -5.694 1.00 0.00 N ATOM 498 CA LEU A 33 17.430 12.796 -4.629 1.00 0.00 C ATOM 499 C LEU A 33 17.104 11.400 -4.107 1.00 0.00 C ATOM 500 O LEU A 33 16.592 10.545 -4.828 1.00 0.00 O ATOM 501 CB LEU A 33 16.156 13.474 -5.135 1.00 0.00 C ATOM 502 CG LEU A 33 16.177 15.004 -5.167 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.766 15.555 -5.291 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.859 15.553 -3.923 1.00 0.00 C ATOM 0 H LEU A 33 18.150 13.202 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 33 17.846 13.382 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.951 13.112 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.324 13.155 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 33 16.746 15.323 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.801 16.644 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.312 15.189 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.171 15.228 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.865 16.642 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.317 15.225 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.884 15.186 -3.878 1.00 0.00 H new ATOM 516 N PRO A 34 17.405 11.165 -2.822 1.00 0.00 N ATOM 517 CA PRO A 34 17.149 9.876 -2.172 1.00 0.00 C ATOM 518 C PRO A 34 15.660 9.611 -1.974 1.00 0.00 C ATOM 519 O PRO A 34 14.841 10.527 -2.053 1.00 0.00 O ATOM 520 CB PRO A 34 17.853 10.014 -0.820 1.00 0.00 C ATOM 521 CG PRO A 34 17.884 11.480 -0.557 1.00 0.00 C ATOM 522 CD PRO A 34 18.017 12.139 -1.902 1.00 0.00 C ATOM 0 HA PRO A 34 17.508 9.039 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.313 9.483 -0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.859 9.596 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.975 11.805 -0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.720 11.743 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.501 13.099 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.060 12.330 -2.155 1.00 0.00 H new ATOM 530 N PHE A 35 15.317 8.354 -1.716 1.00 0.00 N ATOM 531 CA PHE A 35 13.926 7.969 -1.506 1.00 0.00 C ATOM 532 C PHE A 35 13.201 8.997 -0.642 1.00 0.00 C ATOM 533 O PHE A 35 12.193 9.581 -1.042 1.00 0.00 O ATOM 534 CB PHE A 35 13.849 6.590 -0.849 1.00 0.00 C ATOM 535 CG PHE A 35 12.661 6.421 0.055 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.430 6.954 -0.292 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.776 5.729 1.250 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.336 6.802 0.540 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.684 5.573 2.084 1.00 0.00 C ATOM 540 CZ PHE A 35 10.463 6.108 1.728 1.00 0.00 C ATOM 0 H PHE A 35 15.983 7.584 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 35 13.437 7.928 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.815 5.827 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.760 6.419 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.324 7.494 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.729 5.307 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.382 7.226 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.787 5.033 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.608 5.985 2.377 1.00 0.00 H new ATOM 550 N PRO A 36 13.725 9.225 0.571 1.00 0.00 N ATOM 551 CA PRO A 36 13.146 10.182 1.517 1.00 0.00 C ATOM 552 C PRO A 36 13.322 11.627 1.062 1.00 0.00 C ATOM 553 O PRO A 36 13.227 12.555 1.864 1.00 0.00 O ATOM 554 CB PRO A 36 13.930 9.928 2.806 1.00 0.00 C ATOM 555 CG PRO A 36 15.231 9.360 2.351 1.00 0.00 C ATOM 556 CD PRO A 36 14.925 8.565 1.112 1.00 0.00 C ATOM 0 HA PRO A 36 12.070 10.047 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.076 10.850 3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.402 9.234 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.950 10.152 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.672 8.727 3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.752 8.592 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.737 7.517 1.343 1.00 0.00 H new ATOM 564 N GLU A 37 13.581 11.809 -0.229 1.00 0.00 N ATOM 565 CA GLU A 37 13.772 13.141 -0.789 1.00 0.00 C ATOM 566 C GLU A 37 12.924 13.330 -2.044 1.00 0.00 C ATOM 567 O GLU A 37 12.646 14.458 -2.453 1.00 0.00 O ATOM 568 CB GLU A 37 15.248 13.374 -1.118 1.00 0.00 C ATOM 569 CG GLU A 37 16.041 13.972 0.032 1.00 0.00 C ATOM 570 CD GLU A 37 15.848 15.471 0.155 1.00 0.00 C ATOM 571 OE1 GLU A 37 14.799 15.891 0.688 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.745 16.223 -0.280 1.00 0.00 O ATOM 0 H GLU A 37 13.663 11.051 -0.906 1.00 0.00 H new ATOM 0 HA GLU A 37 13.454 13.870 -0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.701 12.426 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.319 14.037 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.740 13.493 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.100 13.756 -0.110 1.00 0.00 H new ATOM 579 N ILE A 38 12.517 12.220 -2.649 1.00 0.00 N ATOM 580 CA ILE A 38 11.701 12.263 -3.856 1.00 0.00 C ATOM 581 C ILE A 38 10.215 12.211 -3.517 1.00 0.00 C ATOM 582 O ILE A 38 9.386 12.794 -4.216 1.00 0.00 O ATOM 583 CB ILE A 38 12.041 11.100 -4.806 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.483 11.222 -5.302 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.072 11.075 -5.980 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.949 10.026 -6.104 1.00 0.00 C ATOM 0 H ILE A 38 12.739 11.279 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 38 11.924 13.206 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 38 11.943 10.163 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.573 12.118 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.144 11.355 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.325 10.248 -6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.055 10.946 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.141 12.014 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.980 10.181 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.891 9.129 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.312 9.905 -6.980 1.00 0.00 H new ATOM 598 N THR A 39 9.884 11.508 -2.438 1.00 0.00 N ATOM 599 CA THR A 39 8.498 11.381 -2.004 1.00 0.00 C ATOM 600 C THR A 39 7.994 12.678 -1.382 1.00 0.00 C ATOM 601 O THR A 39 6.855 13.084 -1.606 1.00 0.00 O ATOM 602 CB THR A 39 8.332 10.237 -0.986 1.00 0.00 C ATOM 603 OG1 THR A 39 8.423 8.972 -1.650 1.00 0.00 O ATOM 604 CG2 THR A 39 6.995 10.343 -0.267 1.00 0.00 C ATOM 0 H THR A 39 10.557 11.018 -1.849 1.00 0.00 H new ATOM 0 HA THR A 39 7.908 11.156 -2.892 1.00 0.00 H new ATOM 0 HB THR A 39 9.131 10.318 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.161 8.258 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.900 9.525 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.941 11.294 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.185 10.286 -0.994 1.00 0.00 H new ATOM 612 N LYS A 40 8.852 13.325 -0.599 1.00 0.00 N ATOM 613 CA LYS A 40 8.495 14.578 0.055 1.00 0.00 C ATOM 614 C LYS A 40 8.101 15.635 -0.972 1.00 0.00 C ATOM 615 O LYS A 40 7.311 16.532 -0.680 1.00 0.00 O ATOM 616 CB LYS A 40 9.664 15.086 0.902 1.00 0.00 C ATOM 617 CG LYS A 40 10.637 15.963 0.133 1.00 0.00 C ATOM 618 CD LYS A 40 11.672 16.589 1.054 1.00 0.00 C ATOM 619 CE LYS A 40 12.347 17.785 0.402 1.00 0.00 C ATOM 620 NZ LYS A 40 11.584 19.044 0.626 1.00 0.00 N ATOM 0 H LYS A 40 9.799 13.002 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 40 7.639 14.389 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.271 15.650 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.203 14.232 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.140 15.368 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.088 16.749 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.193 16.901 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.423 15.845 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.355 17.895 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.447 17.607 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.077 19.835 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.630 18.949 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.511 19.229 1.647 1.00 0.00 H new ATOM 634 N MET A 41 8.656 15.521 -2.174 1.00 0.00 N ATOM 635 CA MET A 41 8.359 16.466 -3.245 1.00 0.00 C ATOM 636 C MET A 41 7.028 16.133 -3.910 1.00 0.00 C ATOM 637 O MET A 41 6.171 17.001 -4.076 1.00 0.00 O ATOM 638 CB MET A 41 9.480 16.457 -4.286 1.00 0.00 C ATOM 639 CG MET A 41 10.724 17.212 -3.847 1.00 0.00 C ATOM 640 SD MET A 41 11.674 17.855 -5.238 1.00 0.00 S ATOM 641 CE MET A 41 11.869 16.375 -6.228 1.00 0.00 C ATOM 0 H MET A 41 9.313 14.785 -2.431 1.00 0.00 H new ATOM 0 HA MET A 41 8.287 17.462 -2.808 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.751 15.425 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.108 16.894 -5.212 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.433 18.038 -3.198 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.356 16.550 -3.256 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.748 16.476 -6.865 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.993 15.513 -5.573 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.985 16.234 -6.850 1.00 0.00 H new ATOM 651 N LEU A 42 6.860 14.871 -4.290 1.00 0.00 N ATOM 652 CA LEU A 42 5.633 14.424 -4.938 1.00 0.00 C ATOM 653 C LEU A 42 4.446 14.526 -3.986 1.00 0.00 C ATOM 654 O LEU A 42 3.311 14.739 -4.412 1.00 0.00 O ATOM 655 CB LEU A 42 5.786 12.982 -5.427 1.00 0.00 C ATOM 656 CG LEU A 42 6.825 12.753 -6.525 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.853 11.289 -6.937 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.535 13.641 -7.726 1.00 0.00 C ATOM 0 H LEU A 42 7.559 14.139 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 42 5.447 15.073 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.045 12.355 -4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.818 12.639 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 42 7.806 13.017 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.598 11.145 -7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.109 10.673 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.872 10.998 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.284 13.465 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.546 13.408 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.567 14.687 -7.421 1.00 0.00 H new ATOM 670 N GLY A 43 4.716 14.375 -2.693 1.00 0.00 N ATOM 671 CA GLY A 43 3.660 14.456 -1.700 1.00 0.00 C ATOM 672 C GLY A 43 2.925 15.780 -1.742 1.00 0.00 C ATOM 673 O GLY A 43 1.697 15.814 -1.799 1.00 0.00 O ATOM 0 H GLY A 43 5.647 14.198 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.950 13.645 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.087 14.312 -0.707 1.00 0.00 H new ATOM 677 N ALA A 44 3.679 16.875 -1.713 1.00 0.00 N ATOM 678 CA ALA A 44 3.091 18.207 -1.748 1.00 0.00 C ATOM 679 C ALA A 44 2.127 18.352 -2.921 1.00 0.00 C ATOM 680 O ALA A 44 1.132 19.070 -2.833 1.00 0.00 O ATOM 681 CB ALA A 44 4.183 19.264 -1.828 1.00 0.00 C ATOM 0 H ALA A 44 4.698 16.865 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 44 2.526 18.351 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.729 20.255 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.831 19.184 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.772 19.111 -2.733 1.00 0.00 H new ATOM 687 N GLU A 45 2.431 17.666 -4.019 1.00 0.00 N ATOM 688 CA GLU A 45 1.591 17.720 -5.209 1.00 0.00 C ATOM 689 C GLU A 45 0.238 17.062 -4.951 1.00 0.00 C ATOM 690 O GLU A 45 -0.805 17.591 -5.337 1.00 0.00 O ATOM 691 CB GLU A 45 2.288 17.031 -6.384 1.00 0.00 C ATOM 692 CG GLU A 45 3.721 17.490 -6.595 1.00 0.00 C ATOM 693 CD GLU A 45 3.818 18.707 -7.494 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.229 18.678 -8.595 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.482 19.687 -7.098 1.00 0.00 O ATOM 0 H GLU A 45 3.252 17.067 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 45 1.425 18.768 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.281 15.954 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.718 17.218 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.171 17.720 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.299 16.675 -7.030 1.00 0.00 H new ATOM 702 N TRP A 46 0.263 15.908 -4.296 1.00 0.00 N ATOM 703 CA TRP A 46 -0.961 15.178 -3.986 1.00 0.00 C ATOM 704 C TRP A 46 -1.926 16.046 -3.187 1.00 0.00 C ATOM 705 O TRP A 46 -3.133 16.027 -3.423 1.00 0.00 O ATOM 706 CB TRP A 46 -0.635 13.903 -3.204 1.00 0.00 C ATOM 707 CG TRP A 46 -1.853 13.162 -2.743 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.343 13.102 -1.469 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.733 12.373 -3.551 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.475 12.324 -1.437 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.736 11.866 -2.701 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.774 12.049 -4.910 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.764 11.051 -3.168 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.794 11.239 -5.371 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.779 10.749 -4.502 1.00 0.00 C ATOM 0 H TRP A 46 1.117 15.457 -3.969 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.440 14.907 -4.927 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.033 13.245 -3.831 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.026 14.162 -2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.905 13.594 -0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.031 12.121 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.022 12.425 -5.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.523 10.671 -2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.833 10.979 -6.418 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.565 10.121 -4.894 1.00 0.00 H new ATOM 726 N SER A 47 -1.385 16.807 -2.242 1.00 0.00 N ATOM 727 CA SER A 47 -2.200 17.682 -1.405 1.00 0.00 C ATOM 728 C SER A 47 -2.699 18.883 -2.201 1.00 0.00 C ATOM 729 O SER A 47 -3.699 19.509 -1.842 1.00 0.00 O ATOM 730 CB SER A 47 -1.396 18.157 -0.193 1.00 0.00 C ATOM 731 OG SER A 47 -2.253 18.633 0.831 1.00 0.00 O ATOM 0 H SER A 47 -0.386 16.836 -2.036 1.00 0.00 H new ATOM 0 HA SER A 47 -3.063 17.113 -1.059 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.788 17.337 0.189 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.710 18.948 -0.495 1.00 0.00 H new ATOM 0 HG SER A 47 -1.716 18.929 1.595 1.00 0.00 H new ATOM 737 N LYS A 48 -1.998 19.202 -3.283 1.00 0.00 N ATOM 738 CA LYS A 48 -2.368 20.328 -4.132 1.00 0.00 C ATOM 739 C LYS A 48 -3.060 19.845 -5.403 1.00 0.00 C ATOM 740 O LYS A 48 -3.129 20.569 -6.398 1.00 0.00 O ATOM 741 CB LYS A 48 -1.129 21.150 -4.493 1.00 0.00 C ATOM 742 CG LYS A 48 -0.429 21.755 -3.290 1.00 0.00 C ATOM 743 CD LYS A 48 0.726 22.650 -3.709 1.00 0.00 C ATOM 744 CE LYS A 48 1.890 21.839 -4.254 1.00 0.00 C ATOM 745 NZ LYS A 48 3.177 22.584 -4.165 1.00 0.00 N ATOM 0 H LYS A 48 -1.169 18.696 -3.593 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.064 20.957 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.425 20.514 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.420 21.950 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.144 22.332 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.058 20.958 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.385 23.354 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.060 23.239 -2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.973 20.905 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.694 21.576 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.945 21.996 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.108 23.464 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.378 22.813 -3.171 1.00 0.00 H new ATOM 759 N LEU A 49 -3.574 18.621 -5.364 1.00 0.00 N ATOM 760 CA LEU A 49 -4.262 18.043 -6.513 1.00 0.00 C ATOM 761 C LEU A 49 -5.687 18.577 -6.619 1.00 0.00 C ATOM 762 O LEU A 49 -6.243 19.086 -5.647 1.00 0.00 O ATOM 763 CB LEU A 49 -4.285 16.517 -6.404 1.00 0.00 C ATOM 764 CG LEU A 49 -3.104 15.782 -7.038 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.268 14.278 -6.887 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.964 16.160 -8.504 1.00 0.00 C ATOM 0 H LEU A 49 -3.527 18.009 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.718 18.329 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.330 16.249 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.203 16.153 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.194 16.082 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.418 13.772 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.317 14.022 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.187 13.961 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.118 15.627 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.875 15.891 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.798 17.234 -8.589 1.00 0.00 H new ATOM 778 N GLN A 50 -6.272 18.456 -7.807 1.00 0.00 N ATOM 779 CA GLN A 50 -7.632 18.926 -8.040 1.00 0.00 C ATOM 780 C GLN A 50 -8.652 17.934 -7.491 1.00 0.00 C ATOM 781 O GLN A 50 -8.358 16.757 -7.281 1.00 0.00 O ATOM 782 CB GLN A 50 -7.870 19.146 -9.534 1.00 0.00 C ATOM 783 CG GLN A 50 -7.409 20.507 -10.030 1.00 0.00 C ATOM 784 CD GLN A 50 -7.235 20.551 -11.536 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.153 20.856 -12.038 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.302 20.246 -12.265 1.00 0.00 N ATOM 0 H GLN A 50 -5.825 18.037 -8.622 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.756 19.874 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.350 18.369 -10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.934 19.033 -9.744 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.134 21.264 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.464 20.763 -9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.179 19.999 -11.807 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.245 20.259 -13.283 1.00 0.00 H new ATOM 795 N PRO A 51 -9.880 18.417 -7.252 1.00 0.00 N ATOM 796 CA PRO A 51 -10.968 17.589 -6.724 1.00 0.00 C ATOM 797 C PRO A 51 -11.463 16.566 -7.741 1.00 0.00 C ATOM 798 O PRO A 51 -12.398 15.812 -7.472 1.00 0.00 O ATOM 799 CB PRO A 51 -12.069 18.607 -6.412 1.00 0.00 C ATOM 800 CG PRO A 51 -11.795 19.753 -7.323 1.00 0.00 C ATOM 801 CD PRO A 51 -10.301 19.811 -7.479 1.00 0.00 C ATOM 0 HA PRO A 51 -10.652 17.003 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.059 18.187 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.038 18.916 -5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.283 19.610 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.180 20.684 -6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.014 20.161 -8.470 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.848 20.490 -6.757 1.00 0.00 H new ATOM 809 N ALA A 52 -10.828 16.544 -8.908 1.00 0.00 N ATOM 810 CA ALA A 52 -11.203 15.611 -9.963 1.00 0.00 C ATOM 811 C ALA A 52 -10.096 14.593 -10.214 1.00 0.00 C ATOM 812 O ALA A 52 -10.366 13.425 -10.493 1.00 0.00 O ATOM 813 CB ALA A 52 -11.528 16.365 -11.245 1.00 0.00 C ATOM 0 H ALA A 52 -10.052 17.161 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.092 15.071 -9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.806 15.655 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.357 17.049 -11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.654 16.931 -11.566 1.00 0.00 H new ATOM 819 N GLU A 53 -8.849 15.044 -10.114 1.00 0.00 N ATOM 820 CA GLU A 53 -7.702 14.171 -10.331 1.00 0.00 C ATOM 821 C GLU A 53 -7.442 13.298 -9.107 1.00 0.00 C ATOM 822 O GLU A 53 -7.376 12.073 -9.206 1.00 0.00 O ATOM 823 CB GLU A 53 -6.456 14.999 -10.654 1.00 0.00 C ATOM 824 CG GLU A 53 -6.665 15.997 -11.780 1.00 0.00 C ATOM 825 CD GLU A 53 -7.173 15.346 -13.051 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.553 14.359 -13.500 1.00 0.00 O ATOM 827 OE2 GLU A 53 -8.189 15.824 -13.598 1.00 0.00 O ATOM 0 H GLU A 53 -8.608 16.008 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.928 13.522 -11.177 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.144 15.535 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.642 14.326 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.375 16.759 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.724 16.506 -11.988 1.00 0.00 H new ATOM 834 N LYS A 54 -7.295 13.938 -7.951 1.00 0.00 N ATOM 835 CA LYS A 54 -7.044 13.223 -6.707 1.00 0.00 C ATOM 836 C LYS A 54 -8.026 12.070 -6.533 1.00 0.00 C ATOM 837 O LYS A 54 -7.643 10.971 -6.134 1.00 0.00 O ATOM 838 CB LYS A 54 -7.147 14.178 -5.516 1.00 0.00 C ATOM 839 CG LYS A 54 -6.361 13.720 -4.299 1.00 0.00 C ATOM 840 CD LYS A 54 -7.002 14.202 -3.008 1.00 0.00 C ATOM 841 CE LYS A 54 -5.966 14.407 -1.913 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.402 15.784 -1.934 1.00 0.00 N ATOM 0 H LYS A 54 -7.346 14.952 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.035 12.813 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.791 15.163 -5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.196 14.289 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.300 12.632 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.340 14.096 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.530 15.138 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.745 13.476 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.422 14.216 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.161 13.683 -2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.145 16.069 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.555 15.803 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.111 16.444 -2.312 1.00 0.00 H new ATOM 856 N GLN A 55 -9.294 12.327 -6.839 1.00 0.00 N ATOM 857 CA GLN A 55 -10.332 11.310 -6.717 1.00 0.00 C ATOM 858 C GLN A 55 -10.103 10.179 -7.714 1.00 0.00 C ATOM 859 O GLN A 55 -10.184 9.001 -7.362 1.00 0.00 O ATOM 860 CB GLN A 55 -11.712 11.929 -6.937 1.00 0.00 C ATOM 861 CG GLN A 55 -12.859 10.956 -6.716 1.00 0.00 C ATOM 862 CD GLN A 55 -12.918 10.438 -5.292 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.603 11.006 -4.441 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.198 9.356 -5.024 1.00 0.00 N ATOM 0 H GLN A 55 -9.627 13.231 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.285 10.897 -5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.832 12.777 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.768 12.319 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.800 11.449 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.754 10.114 -7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.644 8.917 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.198 8.964 -4.083 1.00 0.00 H new ATOM 873 N ARG A 56 -9.819 10.543 -8.960 1.00 0.00 N ATOM 874 CA ARG A 56 -9.581 9.558 -10.009 1.00 0.00 C ATOM 875 C ARG A 56 -8.507 8.560 -9.585 1.00 0.00 C ATOM 876 O ARG A 56 -8.655 7.354 -9.782 1.00 0.00 O ATOM 877 CB ARG A 56 -9.162 10.254 -11.306 1.00 0.00 C ATOM 878 CG ARG A 56 -8.861 9.292 -12.443 1.00 0.00 C ATOM 879 CD ARG A 56 -8.062 9.967 -13.547 1.00 0.00 C ATOM 880 NE ARG A 56 -8.926 10.591 -14.545 1.00 0.00 N ATOM 881 CZ ARG A 56 -9.453 11.802 -14.408 1.00 0.00 C ATOM 882 NH1 ARG A 56 -9.206 12.516 -13.318 1.00 0.00 N ATOM 883 NH2 ARG A 56 -10.230 12.302 -15.361 1.00 0.00 N ATOM 0 H ARG A 56 -9.748 11.513 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.510 9.015 -10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.956 10.933 -11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.279 10.863 -11.113 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.304 8.437 -12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.795 8.907 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.408 10.722 -13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.421 9.231 -14.032 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.136 10.067 -15.395 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.610 12.135 -12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.612 13.446 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.423 11.756 -16.200 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.634 13.232 -15.254 1.00 0.00 H new ATOM 897 N TYR A 57 -7.430 9.072 -9.002 1.00 0.00 N ATOM 898 CA TYR A 57 -6.330 8.227 -8.552 1.00 0.00 C ATOM 899 C TYR A 57 -6.819 7.181 -7.554 1.00 0.00 C ATOM 900 O TYR A 57 -6.473 6.003 -7.651 1.00 0.00 O ATOM 901 CB TYR A 57 -5.230 9.079 -7.917 1.00 0.00 C ATOM 902 CG TYR A 57 -4.272 9.679 -8.922 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.633 8.881 -9.863 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.007 11.043 -8.930 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.757 9.425 -10.782 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.134 11.594 -9.847 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.510 10.782 -10.770 1.00 0.00 C ATOM 908 OH TYR A 57 -1.639 11.327 -11.684 1.00 0.00 O ATOM 0 H TYR A 57 -7.295 10.068 -8.830 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.923 7.711 -9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.691 9.882 -7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.668 8.465 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.824 7.818 -9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.492 11.683 -8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.268 8.791 -11.507 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.941 12.657 -9.841 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.577 12.295 -11.541 1.00 0.00 H new ATOM 918 N LEU A 58 -7.626 7.621 -6.596 1.00 0.00 N ATOM 919 CA LEU A 58 -8.166 6.724 -5.578 1.00 0.00 C ATOM 920 C LEU A 58 -8.943 5.580 -6.218 1.00 0.00 C ATOM 921 O LEU A 58 -8.841 4.430 -5.789 1.00 0.00 O ATOM 922 CB LEU A 58 -9.072 7.497 -4.619 1.00 0.00 C ATOM 923 CG LEU A 58 -8.441 8.705 -3.924 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.515 9.597 -3.322 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.459 8.251 -2.854 1.00 0.00 C ATOM 0 H LEU A 58 -7.922 8.593 -6.502 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.330 6.303 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.947 7.838 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.428 6.808 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.894 9.284 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.047 10.451 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.179 9.951 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.091 9.030 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.020 9.123 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.983 7.649 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.670 7.655 -3.313 1.00 0.00 H new ATOM 937 N ASP A 59 -9.718 5.900 -7.249 1.00 0.00 N ATOM 938 CA ASP A 59 -10.511 4.898 -7.952 1.00 0.00 C ATOM 939 C ASP A 59 -9.611 3.938 -8.725 1.00 0.00 C ATOM 940 O ASP A 59 -9.784 2.721 -8.658 1.00 0.00 O ATOM 941 CB ASP A 59 -11.496 5.573 -8.906 1.00 0.00 C ATOM 942 CG ASP A 59 -12.585 4.629 -9.378 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.246 3.539 -9.884 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.775 4.980 -9.239 1.00 0.00 O ATOM 0 H ASP A 59 -9.814 6.847 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.070 4.327 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.952 6.428 -8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.954 5.959 -9.770 1.00 0.00 H new ATOM 949 N GLU A 60 -8.652 4.495 -9.458 1.00 0.00 N ATOM 950 CA GLU A 60 -7.727 3.686 -10.244 1.00 0.00 C ATOM 951 C GLU A 60 -7.147 2.552 -9.405 1.00 0.00 C ATOM 952 O GLU A 60 -7.128 1.397 -9.833 1.00 0.00 O ATOM 953 CB GLU A 60 -6.596 4.558 -10.795 1.00 0.00 C ATOM 954 CG GLU A 60 -7.004 5.401 -11.992 1.00 0.00 C ATOM 955 CD GLU A 60 -6.971 4.622 -13.292 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.998 3.869 -13.509 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.920 4.765 -14.093 1.00 0.00 O ATOM 0 H GLU A 60 -8.495 5.501 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.281 3.251 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.237 5.216 -10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.761 3.918 -11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.009 5.791 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.338 6.260 -12.071 1.00 0.00 H new ATOM 964 N ALA A 61 -6.675 2.888 -8.211 1.00 0.00 N ATOM 965 CA ALA A 61 -6.095 1.898 -7.311 1.00 0.00 C ATOM 966 C ALA A 61 -7.167 0.966 -6.758 1.00 0.00 C ATOM 967 O ALA A 61 -6.998 -0.253 -6.749 1.00 0.00 O ATOM 968 CB ALA A 61 -5.355 2.587 -6.175 1.00 0.00 C ATOM 0 H ALA A 61 -6.682 3.839 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.386 1.297 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.927 1.836 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.557 3.207 -6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.050 3.213 -5.615 1.00 0.00 H new ATOM 974 N GLU A 62 -8.271 1.547 -6.296 1.00 0.00 N ATOM 975 CA GLU A 62 -9.369 0.767 -5.740 1.00 0.00 C ATOM 976 C GLU A 62 -9.736 -0.392 -6.663 1.00 0.00 C ATOM 977 O GLU A 62 -9.725 -1.554 -6.256 1.00 0.00 O ATOM 978 CB GLU A 62 -10.592 1.657 -5.510 1.00 0.00 C ATOM 979 CG GLU A 62 -10.550 2.422 -4.198 1.00 0.00 C ATOM 980 CD GLU A 62 -11.800 3.248 -3.964 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.854 2.655 -3.656 1.00 0.00 O ATOM 982 OE2 GLU A 62 -11.722 4.489 -4.088 1.00 0.00 O ATOM 0 H GLU A 62 -8.427 2.555 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.042 0.358 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.674 2.367 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.490 1.039 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.425 1.718 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.679 3.078 -4.192 1.00 0.00 H new ATOM 989 N LYS A 63 -10.062 -0.066 -7.910 1.00 0.00 N ATOM 990 CA LYS A 63 -10.432 -1.078 -8.893 1.00 0.00 C ATOM 991 C LYS A 63 -9.497 -2.280 -8.815 1.00 0.00 C ATOM 992 O LYS A 63 -9.946 -3.426 -8.804 1.00 0.00 O ATOM 993 CB LYS A 63 -10.399 -0.483 -10.303 1.00 0.00 C ATOM 994 CG LYS A 63 -11.618 0.358 -10.637 1.00 0.00 C ATOM 995 CD LYS A 63 -11.597 0.823 -12.083 1.00 0.00 C ATOM 996 CE LYS A 63 -10.656 2.002 -12.276 1.00 0.00 C ATOM 997 NZ LYS A 63 -10.225 2.142 -13.694 1.00 0.00 N ATOM 0 H LYS A 63 -10.077 0.891 -8.263 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.445 -1.413 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.505 0.131 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.317 -1.293 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.522 -0.222 -10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.656 1.224 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.287 -0.000 -12.727 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.604 1.106 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.152 2.918 -11.955 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.779 1.874 -11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.585 2.957 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.730 1.278 -13.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.059 2.289 -14.297 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.197 -2.010 -8.760 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.199 -3.072 -8.682 1.00 0.00 C ATOM 1013 C GLU A 64 -7.398 -3.914 -7.425 1.00 0.00 C ATOM 1014 O GLU A 64 -7.305 -5.141 -7.464 1.00 0.00 O ATOM 1015 CB GLU A 64 -5.790 -2.479 -8.695 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.475 -1.683 -9.950 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.596 -2.514 -11.213 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.600 -3.159 -11.598 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.690 -2.517 -11.817 1.00 0.00 O ATOM 0 H GLU A 64 -7.810 -1.066 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.322 -3.716 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.669 -1.833 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.064 -3.286 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.151 -0.830 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.464 -1.283 -9.878 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.673 -3.245 -6.310 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.886 -3.930 -5.040 1.00 0.00 C ATOM 1028 C LYS A 65 -8.837 -5.110 -5.210 1.00 0.00 C ATOM 1029 O LYS A 65 -8.517 -6.235 -4.831 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.445 -2.956 -4.000 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.393 -3.488 -2.579 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.020 -3.292 -1.959 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.044 -3.543 -0.459 1.00 0.00 C ATOM 1034 NZ LYS A 65 -5.681 -3.810 0.081 1.00 0.00 N ATOM 0 H LYS A 65 -7.754 -2.229 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.924 -4.309 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.884 -2.023 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.479 -2.721 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.143 -2.981 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.646 -4.548 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.307 -3.968 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.673 -2.277 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.472 -2.678 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.693 -4.392 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.740 -3.976 1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.282 -4.651 -0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.068 -2.990 -0.102 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.006 -4.843 -5.784 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.003 -5.884 -6.004 1.00 0.00 C ATOM 1050 C GLN A 66 -10.337 -7.207 -6.366 1.00 0.00 C ATOM 1051 O GLN A 66 -10.614 -8.239 -5.756 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.971 -5.466 -7.113 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.771 -4.216 -6.783 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.512 -4.328 -5.466 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.697 -4.661 -5.434 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -12.818 -4.051 -4.369 1.00 0.00 N ATOM 0 H GLN A 66 -10.286 -3.916 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.560 -6.020 -5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.408 -5.295 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.660 -6.287 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.099 -3.359 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.486 -4.026 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.838 -3.779 -4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.265 -4.110 -3.454 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.459 -7.168 -7.363 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.755 -8.366 -7.807 1.00 0.00 C ATOM 1067 C GLN A 67 -8.011 -9.021 -6.648 1.00 0.00 C ATOM 1068 O GLN A 67 -8.258 -10.180 -6.314 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.773 -8.019 -8.928 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.886 -9.183 -9.342 1.00 0.00 C ATOM 1071 CD GLN A 67 -5.553 -8.730 -9.901 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.134 -9.170 -10.973 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -4.875 -7.847 -9.176 1.00 0.00 N ATOM 0 H GLN A 67 -9.218 -6.321 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.494 -9.072 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.333 -7.673 -9.797 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.143 -7.190 -8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.714 -9.828 -8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.405 -9.782 -10.090 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.259 -7.509 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.970 -7.507 -9.502 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.098 -8.272 -6.039 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.316 -8.781 -4.919 1.00 0.00 C ATOM 1084 C TYR A 68 -7.221 -9.404 -3.860 1.00 0.00 C ATOM 1085 O TYR A 68 -7.047 -10.562 -3.481 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.484 -7.657 -4.298 1.00 0.00 C ATOM 1087 CG TYR A 68 -5.196 -7.859 -2.827 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -6.131 -7.511 -1.861 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.988 -8.401 -2.405 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.870 -7.693 -0.516 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.719 -8.588 -1.062 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.663 -8.232 -0.122 1.00 0.00 C ATOM 1093 OH TYR A 68 -4.401 -8.417 1.216 1.00 0.00 O ATOM 0 H TYR A 68 -6.882 -7.311 -6.302 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.646 -9.553 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.540 -7.575 -4.837 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.010 -6.711 -4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.078 -7.091 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.247 -8.681 -3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.607 -7.415 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.775 -9.010 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.508 -8.807 1.324 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.189 -8.627 -3.388 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.125 -9.100 -2.373 1.00 0.00 C ATOM 1105 C LEU A 69 -9.639 -10.494 -2.716 1.00 0.00 C ATOM 1106 O LEU A 69 -9.483 -11.435 -1.935 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.299 -8.128 -2.241 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.054 -6.892 -1.375 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -11.238 -5.941 -1.456 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.788 -7.296 0.068 1.00 0.00 C ATOM 0 H LEU A 69 -8.347 -7.666 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.596 -9.152 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.584 -7.796 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.150 -8.671 -1.831 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.173 -6.375 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.046 -5.067 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.381 -5.626 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.136 -6.448 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.616 -6.404 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.650 -7.837 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.908 -7.937 0.110 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.251 -10.622 -3.888 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.786 -11.902 -4.337 1.00 0.00 C ATOM 1124 C LYS A 70 -9.757 -13.014 -4.161 1.00 0.00 C ATOM 1125 O LYS A 70 -9.988 -13.975 -3.428 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.212 -11.814 -5.804 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.361 -10.852 -6.047 1.00 0.00 C ATOM 1128 CD LYS A 70 -13.706 -11.555 -5.961 1.00 0.00 C ATOM 1129 CE LYS A 70 -14.144 -12.087 -7.317 1.00 0.00 C ATOM 1130 NZ LYS A 70 -14.483 -10.986 -8.261 1.00 0.00 N ATOM 0 H LYS A 70 -10.389 -9.854 -4.545 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.657 -12.137 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.356 -11.504 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.501 -12.806 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.323 -10.046 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.251 -10.394 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.643 -12.378 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.457 -10.862 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.348 -12.698 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.010 -12.736 -7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.110 -11.349 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.965 -10.223 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.611 -10.616 -8.691 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.621 -12.874 -4.837 1.00 0.00 N ATOM 1145 CA GLU A 71 -7.556 -13.868 -4.753 1.00 0.00 C ATOM 1146 C GLU A 71 -7.300 -14.271 -3.304 1.00 0.00 C ATOM 1147 O GLU A 71 -7.380 -15.449 -2.952 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.270 -13.322 -5.376 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.155 -13.589 -6.868 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.897 -15.050 -7.181 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.729 -15.482 -7.076 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -6.861 -15.762 -7.531 1.00 0.00 O ATOM 0 H GLU A 71 -8.414 -12.084 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.874 -14.751 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.220 -12.247 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.414 -13.766 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.074 -13.272 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.347 -12.985 -7.280 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.994 -13.286 -2.467 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.726 -13.537 -1.055 1.00 0.00 C ATOM 1161 C LEU A 72 -7.536 -14.727 -0.550 1.00 0.00 C ATOM 1162 O LEU A 72 -7.001 -15.819 -0.359 1.00 0.00 O ATOM 1163 CB LEU A 72 -7.052 -12.295 -0.225 1.00 0.00 C ATOM 1164 CG LEU A 72 -6.781 -12.400 1.276 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -5.508 -13.189 1.535 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.688 -11.015 1.900 1.00 0.00 C ATOM 0 H LEU A 72 -6.925 -12.306 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.667 -13.770 -0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.477 -11.458 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.105 -12.054 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.613 -12.930 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.332 -13.253 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.612 -14.193 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.666 -12.687 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.495 -11.110 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.876 -10.459 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.627 -10.483 1.747 1.00 0.00 H new ATOM 1178 N TRP A 73 -8.829 -14.509 -0.340 1.00 0.00 N ATOM 1179 CA TRP A 73 -9.713 -15.564 0.141 1.00 0.00 C ATOM 1180 C TRP A 73 -9.981 -16.590 -0.954 1.00 0.00 C ATOM 1181 O TRP A 73 -9.777 -17.788 -0.759 1.00 0.00 O ATOM 1182 CB TRP A 73 -11.034 -14.968 0.631 1.00 0.00 C ATOM 1183 CG TRP A 73 -11.633 -13.983 -0.327 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -11.221 -12.701 -0.550 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -12.755 -14.201 -1.189 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -12.018 -12.108 -1.498 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -12.966 -13.008 -1.908 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -13.600 -15.288 -1.427 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -13.988 -12.874 -2.844 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -14.613 -15.154 -2.356 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -14.801 -13.954 -3.057 1.00 0.00 C ATOM 0 H TRP A 73 -9.288 -13.612 -0.495 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.219 -16.067 0.972 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.746 -15.775 0.804 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.869 -14.477 1.590 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.390 -12.223 -0.053 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.920 -11.152 -1.841 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.463 -16.217 -0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.134 -11.950 -3.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.272 -15.988 -2.546 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.602 -13.881 -3.778 1.00 0.00 H new ATOM 1202 N ALA A 74 -10.440 -16.113 -2.107 1.00 0.00 N ATOM 1203 CA ALA A 74 -10.734 -16.989 -3.234 1.00 0.00 C ATOM 1204 C ALA A 74 -9.722 -18.127 -3.322 1.00 0.00 C ATOM 1205 O ALA A 74 -10.042 -19.220 -3.792 1.00 0.00 O ATOM 1206 CB ALA A 74 -10.752 -16.195 -4.531 1.00 0.00 C ATOM 0 H ALA A 74 -10.616 -15.124 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.720 -17.425 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.973 -16.863 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.518 -15.421 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.778 -15.731 -4.687 1.00 0.00 H new ATOM 1212 N TYR A 75 -8.502 -17.864 -2.870 1.00 0.00 N ATOM 1213 CA TYR A 75 -7.442 -18.865 -2.902 1.00 0.00 C ATOM 1214 C TYR A 75 -7.462 -19.719 -1.638 1.00 0.00 C ATOM 1215 O TYR A 75 -7.394 -20.946 -1.705 1.00 0.00 O ATOM 1216 CB TYR A 75 -6.077 -18.190 -3.052 1.00 0.00 C ATOM 1217 CG TYR A 75 -4.949 -18.949 -2.391 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -4.600 -20.224 -2.817 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -4.233 -18.390 -1.340 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -3.571 -20.922 -2.215 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -3.201 -19.080 -0.733 1.00 0.00 C ATOM 1222 CZ TYR A 75 -2.875 -20.346 -1.173 1.00 0.00 C ATOM 1223 OH TYR A 75 -1.848 -21.036 -0.572 1.00 0.00 O ATOM 0 H TYR A 75 -8.222 -16.966 -2.477 1.00 0.00 H new ATOM 0 HA TYR A 75 -7.616 -19.513 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.853 -18.074 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -6.128 -17.188 -2.626 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.143 -20.678 -3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.487 -17.400 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.313 -21.913 -2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.653 -18.630 0.082 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.461 -20.489 0.143 1.00 0.00 H new ATOM 1233 N GLN A 76 -7.557 -19.060 -0.487 1.00 0.00 N ATOM 1234 CA GLN A 76 -7.587 -19.759 0.792 1.00 0.00 C ATOM 1235 C GLN A 76 -8.597 -20.901 0.766 1.00 0.00 C ATOM 1236 O GLN A 76 -8.532 -21.818 1.584 1.00 0.00 O ATOM 1237 CB GLN A 76 -7.928 -18.785 1.921 1.00 0.00 C ATOM 1238 CG GLN A 76 -6.815 -17.797 2.230 1.00 0.00 C ATOM 1239 CD GLN A 76 -7.021 -17.080 3.551 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -6.974 -17.695 4.617 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -7.249 -15.774 3.486 1.00 0.00 N ATOM 0 H GLN A 76 -7.614 -18.044 -0.414 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.597 -20.179 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.829 -18.233 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.159 -19.353 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.862 -18.325 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.754 -17.062 1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.279 -15.306 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.394 -15.238 4.342 1.00 0.00 H new ATOM 1250 N GLN A 77 -9.529 -20.837 -0.179 1.00 0.00 N ATOM 1251 CA GLN A 77 -10.555 -21.866 -0.310 1.00 0.00 C ATOM 1252 C GLN A 77 -10.048 -23.037 -1.145 1.00 0.00 C ATOM 1253 O GLN A 77 -10.316 -24.197 -0.833 1.00 0.00 O ATOM 1254 CB GLN A 77 -11.817 -21.280 -0.945 1.00 0.00 C ATOM 1255 CG GLN A 77 -12.163 -19.889 -0.441 1.00 0.00 C ATOM 1256 CD GLN A 77 -13.579 -19.477 -0.788 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -14.067 -19.753 -1.884 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -14.250 -18.813 0.148 1.00 0.00 N ATOM 0 H GLN A 77 -9.595 -20.085 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.796 -22.232 0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.686 -21.243 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.656 -21.948 -0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.034 -19.857 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.465 -19.169 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.807 -18.605 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -15.208 -18.511 -0.029 1.00 0.00 H new ATOM 1267 N SER A 78 -9.313 -22.724 -2.208 1.00 0.00 N ATOM 1268 CA SER A 78 -8.771 -23.751 -3.091 1.00 0.00 C ATOM 1269 C SER A 78 -8.364 -24.989 -2.298 1.00 0.00 C ATOM 1270 O SER A 78 -7.593 -24.903 -1.344 1.00 0.00 O ATOM 1271 CB SER A 78 -7.566 -23.207 -3.862 1.00 0.00 C ATOM 1272 OG SER A 78 -6.445 -23.049 -3.009 1.00 0.00 O ATOM 0 H SER A 78 -9.079 -21.769 -2.478 1.00 0.00 H new ATOM 0 HA SER A 78 -9.549 -24.034 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.314 -23.886 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.822 -22.248 -4.314 1.00 0.00 H new ATOM 0 HG SER A 78 -6.606 -22.306 -2.391 1.00 0.00 H new ATOM 1278 N GLU A 79 -8.892 -26.142 -2.702 1.00 0.00 N ATOM 1279 CA GLU A 79 -8.584 -27.399 -2.029 1.00 0.00 C ATOM 1280 C GLU A 79 -7.082 -27.541 -1.802 1.00 0.00 C ATOM 1281 O GLU A 79 -6.636 -27.838 -0.694 1.00 0.00 O ATOM 1282 CB GLU A 79 -9.101 -28.581 -2.850 1.00 0.00 C ATOM 1283 CG GLU A 79 -8.501 -28.664 -4.244 1.00 0.00 C ATOM 1284 CD GLU A 79 -9.295 -29.567 -5.168 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -10.522 -29.365 -5.284 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -8.690 -30.474 -5.777 1.00 0.00 O ATOM 0 H GLU A 79 -9.533 -26.231 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.081 -27.394 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.885 -29.506 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.185 -28.507 -2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.451 -27.664 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.477 -29.032 -4.174 1.00 0.00 H new ATOM 1293 N ALA A 80 -6.306 -27.329 -2.860 1.00 0.00 N ATOM 1294 CA ALA A 80 -4.855 -27.432 -2.777 1.00 0.00 C ATOM 1295 C ALA A 80 -4.336 -26.828 -1.476 1.00 0.00 C ATOM 1296 O ALA A 80 -3.331 -27.281 -0.927 1.00 0.00 O ATOM 1297 CB ALA A 80 -4.209 -26.749 -3.973 1.00 0.00 C ATOM 0 H ALA A 80 -6.659 -27.085 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.588 -28.489 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.125 -26.833 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.548 -27.227 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.491 -25.696 -3.987 1.00 0.00 H new ATOM 1303 N TYR A 81 -5.026 -25.804 -0.988 1.00 0.00 N ATOM 1304 CA TYR A 81 -4.632 -25.135 0.246 1.00 0.00 C ATOM 1305 C TYR A 81 -4.813 -26.058 1.447 1.00 0.00 C ATOM 1306 O TYR A 81 -3.950 -26.138 2.321 1.00 0.00 O ATOM 1307 CB TYR A 81 -5.449 -23.858 0.442 1.00 0.00 C ATOM 1308 CG TYR A 81 -5.047 -23.063 1.664 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -4.033 -22.115 1.597 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -5.681 -23.259 2.885 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -3.662 -21.387 2.712 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -5.317 -22.535 4.003 1.00 0.00 C ATOM 1313 CZ TYR A 81 -4.306 -21.600 3.912 1.00 0.00 C ATOM 1314 OH TYR A 81 -3.940 -20.876 5.023 1.00 0.00 O ATOM 0 H TYR A 81 -5.862 -25.419 -1.428 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.577 -24.874 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.342 -23.229 -0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -6.504 -24.120 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.527 -21.944 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.472 -23.990 2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.871 -20.655 2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.821 -22.700 4.944 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.492 -21.146 5.786 1.00 0.00 H new ATOM 1324 N LYS A 82 -5.944 -26.756 1.483 1.00 0.00 N ATOM 1325 CA LYS A 82 -6.242 -27.676 2.574 1.00 0.00 C ATOM 1326 C LYS A 82 -5.380 -28.932 2.476 1.00 0.00 C ATOM 1327 O LYS A 82 -4.628 -29.254 3.396 1.00 0.00 O ATOM 1328 CB LYS A 82 -7.723 -28.058 2.557 1.00 0.00 C ATOM 1329 CG LYS A 82 -8.640 -26.964 3.075 1.00 0.00 C ATOM 1330 CD LYS A 82 -10.019 -27.046 2.442 1.00 0.00 C ATOM 1331 CE LYS A 82 -10.876 -28.112 3.110 1.00 0.00 C ATOM 1332 NZ LYS A 82 -11.502 -27.613 4.365 1.00 0.00 N ATOM 0 H LYS A 82 -6.670 -26.701 0.768 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.015 -27.172 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.013 -28.310 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.865 -28.955 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.730 -27.046 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.200 -25.989 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.514 -26.078 2.519 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.920 -27.270 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.655 -28.437 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.262 -28.985 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.077 -28.368 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.759 -27.326 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.108 -26.796 4.150 1.00 0.00 H new ATOM 1346 N VAL A 83 -5.494 -29.636 1.355 1.00 0.00 N ATOM 1347 CA VAL A 83 -4.724 -30.855 1.136 1.00 0.00 C ATOM 1348 C VAL A 83 -3.254 -30.646 1.485 1.00 0.00 C ATOM 1349 O VAL A 83 -2.591 -31.553 1.990 1.00 0.00 O ATOM 1350 CB VAL A 83 -4.831 -31.333 -0.324 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -4.079 -30.390 -1.251 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -4.309 -32.755 -0.459 1.00 0.00 C ATOM 0 H VAL A 83 -6.112 -29.383 0.584 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.146 -31.617 1.791 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.882 -31.328 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.166 -30.744 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.504 -29.389 -1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.028 -30.360 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.392 -33.076 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.264 -32.790 -0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.896 -33.420 0.175 1.00 0.00 H new ATOM 1362 N CYS A 84 -2.752 -29.447 1.213 1.00 0.00 N ATOM 1363 CA CYS A 84 -1.360 -29.118 1.498 1.00 0.00 C ATOM 1364 C CYS A 84 -1.170 -28.791 2.976 1.00 0.00 C ATOM 1365 O CYS A 84 -2.057 -28.226 3.617 1.00 0.00 O ATOM 1366 CB CYS A 84 -0.907 -27.938 0.638 1.00 0.00 C ATOM 1367 SG CYS A 84 -0.462 -28.385 -1.055 1.00 0.00 S ATOM 0 H CYS A 84 -3.288 -28.686 0.795 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.750 -29.988 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.705 -27.197 0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.049 -27.464 1.114 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.471 -28.160 -1.843 1.00 0.00 H new ATOM 1373 N THR A 85 -0.007 -29.150 3.511 1.00 0.00 N ATOM 1374 CA THR A 85 0.299 -28.898 4.913 1.00 0.00 C ATOM 1375 C THR A 85 -0.658 -29.653 5.829 1.00 0.00 C ATOM 1376 O THR A 85 -1.049 -29.150 6.883 1.00 0.00 O ATOM 1377 CB THR A 85 0.227 -27.394 5.242 1.00 0.00 C ATOM 1378 OG1 THR A 85 0.864 -26.636 4.208 1.00 0.00 O ATOM 1379 CG2 THR A 85 0.891 -27.100 6.578 1.00 0.00 C ATOM 0 H THR A 85 0.738 -29.616 2.994 1.00 0.00 H new ATOM 0 HA THR A 85 1.316 -29.252 5.083 1.00 0.00 H new ATOM 0 HB THR A 85 -0.823 -27.108 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.813 -25.681 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.828 -26.032 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 85 0.384 -27.656 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.938 -27.400 6.538 1.00 0.00 H new ATOM 1387 N GLU A 86 -1.028 -30.862 5.423 1.00 0.00 N ATOM 1388 CA GLU A 86 -1.939 -31.686 6.209 1.00 0.00 C ATOM 1389 C GLU A 86 -1.177 -32.495 7.255 1.00 0.00 C ATOM 1390 O GLU A 86 0.050 -32.596 7.204 1.00 0.00 O ATOM 1391 CB GLU A 86 -2.728 -32.627 5.296 1.00 0.00 C ATOM 1392 CG GLU A 86 -1.854 -33.603 4.527 1.00 0.00 C ATOM 1393 CD GLU A 86 -1.565 -34.869 5.310 1.00 0.00 C ATOM 1394 OE1 GLU A 86 -2.407 -35.791 5.283 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.494 -34.938 5.951 1.00 0.00 O ATOM 0 H GLU A 86 -0.711 -31.293 4.555 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.634 -31.023 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.443 -33.189 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.305 -32.033 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.345 -33.864 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.913 -33.117 4.269 1.00 0.00 H new ATOM 1402 N SER A 87 -1.911 -33.070 8.201 1.00 0.00 N ATOM 1403 CA SER A 87 -1.304 -33.867 9.261 1.00 0.00 C ATOM 1404 C SER A 87 -1.838 -35.297 9.240 1.00 0.00 C ATOM 1405 O SER A 87 -2.874 -35.575 8.637 1.00 0.00 O ATOM 1406 CB SER A 87 -1.576 -33.230 10.626 1.00 0.00 C ATOM 1407 OG SER A 87 -0.856 -33.893 11.651 1.00 0.00 O ATOM 0 H SER A 87 -2.927 -32.999 8.256 1.00 0.00 H new ATOM 0 HA SER A 87 -0.228 -33.897 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.294 -32.177 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.643 -33.270 10.843 1.00 0.00 H new ATOM 0 HG SER A 87 -1.046 -33.466 12.513 1.00 0.00 H new ATOM 1413 N GLY A 88 -1.123 -36.198 9.904 1.00 0.00 N ATOM 1414 CA GLY A 88 -1.539 -37.588 9.950 1.00 0.00 C ATOM 1415 C GLY A 88 -3.036 -37.739 10.130 1.00 0.00 C ATOM 1416 O GLY A 88 -3.732 -38.299 9.283 1.00 0.00 O ATOM 0 H GLY A 88 -0.263 -35.991 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.235 -38.086 9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.025 -38.091 10.769 1.00 0.00 H new ATOM 1420 N PRO A 89 -3.553 -37.233 11.260 1.00 0.00 N ATOM 1421 CA PRO A 89 -4.983 -37.305 11.577 1.00 0.00 C ATOM 1422 C PRO A 89 -5.822 -36.406 10.675 1.00 0.00 C ATOM 1423 O PRO A 89 -5.827 -35.185 10.831 1.00 0.00 O ATOM 1424 CB PRO A 89 -5.048 -36.818 13.027 1.00 0.00 C ATOM 1425 CG PRO A 89 -3.846 -35.953 13.192 1.00 0.00 C ATOM 1426 CD PRO A 89 -2.782 -36.553 12.315 1.00 0.00 C ATOM 0 HA PRO A 89 -5.384 -38.308 11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.965 -36.261 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -5.033 -37.654 13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.061 -34.926 12.898 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.524 -35.926 14.233 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -2.123 -35.789 11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.153 -37.252 12.867 1.00 0.00 H new ATOM 1434 N SER A 90 -6.529 -37.019 9.731 1.00 0.00 N ATOM 1435 CA SER A 90 -7.370 -36.273 8.801 1.00 0.00 C ATOM 1436 C SER A 90 -8.847 -36.553 9.060 1.00 0.00 C ATOM 1437 O SER A 90 -9.226 -37.669 9.415 1.00 0.00 O ATOM 1438 CB SER A 90 -7.016 -36.635 7.357 1.00 0.00 C ATOM 1439 OG SER A 90 -5.653 -36.361 7.083 1.00 0.00 O ATOM 0 H SER A 90 -6.537 -38.029 9.590 1.00 0.00 H new ATOM 0 HA SER A 90 -7.187 -35.210 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.220 -37.691 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.649 -36.071 6.672 1.00 0.00 H new ATOM 0 HG SER A 90 -5.451 -36.602 6.155 1.00 0.00 H new ATOM 1445 N SER A 91 -9.677 -35.530 8.880 1.00 0.00 N ATOM 1446 CA SER A 91 -11.113 -35.664 9.098 1.00 0.00 C ATOM 1447 C SER A 91 -11.887 -35.354 7.820 1.00 0.00 C ATOM 1448 O SER A 91 -11.331 -34.829 6.855 1.00 0.00 O ATOM 1449 CB SER A 91 -11.569 -34.732 10.222 1.00 0.00 C ATOM 1450 OG SER A 91 -11.190 -35.240 11.490 1.00 0.00 O ATOM 0 H SER A 91 -9.380 -34.600 8.584 1.00 0.00 H new ATOM 0 HA SER A 91 -11.317 -36.695 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.134 -33.743 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.652 -34.613 10.183 1.00 0.00 H new ATOM 0 HG SER A 91 -11.491 -34.626 12.192 1.00 0.00 H new ATOM 1456 N GLY A 92 -13.176 -35.683 7.821 1.00 0.00 N ATOM 1457 CA GLY A 92 -14.005 -35.433 6.657 1.00 0.00 C ATOM 1458 C GLY A 92 -13.997 -36.591 5.679 1.00 0.00 C ATOM 1459 O GLY A 92 -15.039 -36.970 5.146 1.00 0.00 O ATOM 0 H GLY A 92 -13.660 -36.118 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.029 -35.240 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.655 -34.533 6.152 1.00 0.00 H new TER 1463 GLY A 92