USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 716 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 69 HIS : no HE2:sc= 0.25 K(o=0.25,f=-1.2) USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0 X(o=0.25,f=0.22) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -3.49! C(o=-4.5!,f=-11!) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -1.01! C(o=-4.5!,f=-8.3!) USER MOD Set 3.1: A 35 HIS : no HE2:sc= 0.0738 K(o=1,f=-2.8!) USER MOD Set 3.2: A 52 HIS : no HE2:sc= 0.965 K(o=1,f=-3.6!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.972 K(o=-0.97,f=-2.1!) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=-0.97,f=-0.99) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.018 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= -0.0302 (180deg=-0.0941) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0765 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.489 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 174:sc= -1.54 USER MOD Single : A 48 SER OG : rot -130:sc= -0.988 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 72:sc= -3.42 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -160:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-5.6!) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00888 USER MOD Single : A 78 SER OG : rot 140:sc= -4.18! USER MOD Single : A 79 CYS SG : rot 96:sc= 0.0374 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 72:sc= 1.09 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -140:sc= -1.17 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 4.026 9.850 -15.358 1.00 1.00 N ATOM 26 CA ALA A 3 2.801 9.343 -15.951 1.00 1.00 C ATOM 27 C ALA A 3 2.368 8.075 -15.212 1.00 1.00 C ATOM 28 O ALA A 3 3.109 7.095 -15.167 1.00 1.00 O ATOM 29 CB ALA A 3 3.019 9.101 -17.446 1.00 1.00 C ATOM 0 HA ALA A 3 1.997 10.072 -15.853 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.100 8.720 -17.891 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.296 10.038 -17.930 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.818 8.372 -17.584 1.00 1.00 H new ATOM 35 N VAL A 4 1.169 8.135 -14.651 1.00 1.00 N ATOM 36 CA VAL A 4 0.629 7.004 -13.916 1.00 1.00 C ATOM 37 C VAL A 4 0.573 5.783 -14.837 1.00 1.00 C ATOM 38 O VAL A 4 -0.030 5.800 -15.907 1.00 1.00 O ATOM 39 CB VAL A 4 -0.734 7.368 -13.324 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.782 7.543 -14.425 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.183 6.324 -12.300 1.00 1.00 C ATOM 0 H VAL A 4 0.556 8.949 -14.691 1.00 1.00 H new ATOM 0 HA VAL A 4 1.276 6.750 -13.077 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.630 8.322 -12.807 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.741 7.801 -13.976 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.471 8.340 -15.100 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.882 6.612 -14.984 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.154 6.606 -11.894 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.261 5.350 -12.783 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.454 6.270 -11.491 1.00 1.00 H new ATOM 51 N PRO A 5 1.227 4.709 -14.388 1.00 1.00 N ATOM 52 CA PRO A 5 1.304 3.448 -15.094 1.00 1.00 C ATOM 53 C PRO A 5 -0.049 2.752 -15.046 1.00 1.00 C ATOM 54 O PRO A 5 -0.572 2.546 -13.952 1.00 1.00 O ATOM 55 CB PRO A 5 2.361 2.642 -14.342 1.00 1.00 C ATOM 56 CG PRO A 5 2.358 3.192 -12.979 1.00 1.00 C ATOM 57 CD PRO A 5 1.946 4.655 -13.134 1.00 1.00 C ATOM 0 HA PRO A 5 1.564 3.566 -16.146 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.119 1.579 -14.340 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.341 2.745 -14.807 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.660 2.653 -12.339 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.342 3.107 -12.519 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.318 4.978 -12.304 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.816 5.311 -13.149 1.00 1.00 H new ATOM 65 N ASP A 6 -0.582 2.409 -16.210 1.00 1.00 N ATOM 66 CA ASP A 6 -1.871 1.742 -16.274 1.00 1.00 C ATOM 67 C ASP A 6 -1.697 0.268 -15.902 1.00 1.00 C ATOM 68 O ASP A 6 -2.668 -0.486 -15.867 1.00 1.00 O ATOM 69 CB ASP A 6 -2.454 1.807 -17.688 1.00 1.00 C ATOM 70 CG ASP A 6 -1.752 0.920 -18.718 1.00 1.00 C ATOM 71 OD1 ASP A 6 -2.227 -0.178 -19.045 1.00 1.00 O ATOM 72 OD2 ASP A 6 -0.657 1.404 -19.198 1.00 1.00 O ATOM 0 H ASP A 6 -0.145 2.581 -17.115 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.546 2.245 -15.581 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.506 1.525 -17.644 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.415 2.840 -18.034 1.00 1.00 H new ATOM 78 N LYS A 7 -0.452 -0.098 -15.633 1.00 1.00 N ATOM 79 CA LYS A 7 -0.138 -1.468 -15.265 1.00 1.00 C ATOM 80 C LYS A 7 0.205 -1.525 -13.775 1.00 1.00 C ATOM 81 O LYS A 7 0.749 -0.588 -13.194 1.00 1.00 O ATOM 82 CB LYS A 7 0.960 -2.028 -16.170 1.00 1.00 C ATOM 83 CG LYS A 7 1.967 -0.940 -16.549 1.00 1.00 C ATOM 84 CD LYS A 7 3.312 -1.552 -16.947 1.00 1.00 C ATOM 85 CE LYS A 7 4.341 -1.389 -15.827 1.00 1.00 C ATOM 86 NZ LYS A 7 4.941 -2.697 -15.480 1.00 1.00 N ATOM 0 H LYS A 7 0.351 0.530 -15.663 1.00 1.00 H new ATOM 0 HA LYS A 7 -1.004 -2.112 -15.419 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.475 -2.843 -15.661 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.514 -2.446 -17.073 1.00 1.00 H new ATOM 0 HG2 LYS A 7 1.574 -0.348 -17.375 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.107 -0.260 -15.708 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.181 -2.610 -17.174 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.679 -1.074 -17.855 1.00 1.00 H new ATOM 0 HE2 LYS A 7 5.122 -0.696 -16.140 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.864 -0.956 -14.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.637 -2.568 -14.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.195 -3.348 -15.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.413 -3.095 -16.317 1.00 1.00 H new ATOM 99 N PRO A 8 -0.130 -2.662 -13.161 1.00 1.00 N ATOM 100 CA PRO A 8 0.102 -2.932 -11.759 1.00 1.00 C ATOM 101 C PRO A 8 1.559 -3.321 -11.549 1.00 1.00 C ATOM 102 O PRO A 8 2.120 -4.005 -12.403 1.00 1.00 O ATOM 103 CB PRO A 8 -0.829 -4.095 -11.424 1.00 1.00 C ATOM 104 CG PRO A 8 -0.740 -4.910 -12.783 1.00 1.00 C ATOM 105 CD PRO A 8 -0.771 -3.784 -13.814 1.00 1.00 C ATOM 0 HA PRO A 8 -0.092 -2.069 -11.123 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.484 -4.673 -10.567 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.844 -3.767 -11.199 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.174 -5.501 -12.848 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.575 -5.600 -12.903 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.241 -4.067 -14.724 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.794 -3.541 -14.103 1.00 1.00 H new ATOM 113 N VAL A 9 2.135 -2.886 -10.437 1.00 1.00 N ATOM 114 CA VAL A 9 3.522 -3.201 -10.142 1.00 1.00 C ATOM 115 C VAL A 9 3.578 -4.221 -9.003 1.00 1.00 C ATOM 116 O VAL A 9 2.894 -4.066 -7.992 1.00 1.00 O ATOM 117 CB VAL A 9 4.295 -1.917 -9.833 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.794 -1.254 -11.118 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.442 -0.947 -9.012 1.00 1.00 C ATOM 0 H VAL A 9 1.666 -2.319 -9.731 1.00 1.00 H new ATOM 0 HA VAL A 9 4.003 -3.655 -11.008 1.00 1.00 H new ATOM 0 HB VAL A 9 5.166 -2.187 -9.235 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.340 -0.344 -10.870 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.454 -1.940 -11.649 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.944 -1.005 -11.753 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.015 -0.043 -8.806 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.544 -0.688 -9.573 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.158 -1.419 -8.071 1.00 1.00 H new ATOM 129 N GLU A 10 4.399 -5.240 -9.204 1.00 1.00 N ATOM 130 CA GLU A 10 4.554 -6.286 -8.207 1.00 1.00 C ATOM 131 C GLU A 10 5.329 -5.756 -6.998 1.00 1.00 C ATOM 132 O GLU A 10 6.301 -5.019 -7.155 1.00 1.00 O ATOM 133 CB GLU A 10 5.240 -7.516 -8.803 1.00 1.00 C ATOM 134 CG GLU A 10 4.211 -8.516 -9.333 1.00 1.00 C ATOM 135 CD GLU A 10 3.871 -8.230 -10.797 1.00 1.00 C ATOM 136 OE1 GLU A 10 2.841 -7.601 -11.082 1.00 1.00 O ATOM 137 OE2 GLU A 10 4.721 -8.686 -11.653 1.00 1.00 O ATOM 0 H GLU A 10 4.965 -5.364 -10.043 1.00 1.00 H new ATOM 0 HA GLU A 10 3.563 -6.592 -7.873 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.905 -7.210 -9.611 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.860 -7.994 -8.044 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.601 -9.529 -9.238 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.305 -8.465 -8.729 1.00 1.00 H new ATOM 145 N VAL A 11 4.870 -6.154 -5.821 1.00 1.00 N ATOM 146 CA VAL A 11 5.509 -5.729 -4.587 1.00 1.00 C ATOM 147 C VAL A 11 6.019 -6.957 -3.832 1.00 1.00 C ATOM 148 O VAL A 11 5.485 -7.312 -2.782 1.00 1.00 O ATOM 149 CB VAL A 11 4.539 -4.880 -3.761 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.238 -4.282 -2.539 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.902 -3.785 -4.619 1.00 1.00 C ATOM 0 H VAL A 11 4.064 -6.766 -5.695 1.00 1.00 H new ATOM 0 HA VAL A 11 6.372 -5.098 -4.802 1.00 1.00 H new ATOM 0 HB VAL A 11 3.742 -5.533 -3.405 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.527 -3.684 -1.970 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.622 -5.085 -1.910 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.064 -3.650 -2.865 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.217 -3.196 -4.008 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.681 -3.136 -5.018 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.353 -4.241 -5.442 1.00 1.00 H new ATOM 161 N LYS A 12 7.047 -7.575 -4.397 1.00 1.00 N ATOM 162 CA LYS A 12 7.635 -8.756 -3.790 1.00 1.00 C ATOM 163 C LYS A 12 7.996 -8.452 -2.335 1.00 1.00 C ATOM 164 O LYS A 12 9.110 -8.019 -2.045 1.00 1.00 O ATOM 165 CB LYS A 12 8.817 -9.255 -4.625 1.00 1.00 C ATOM 166 CG LYS A 12 8.496 -9.195 -6.120 1.00 1.00 C ATOM 167 CD LYS A 12 9.258 -10.276 -6.888 1.00 1.00 C ATOM 168 CE LYS A 12 8.834 -10.306 -8.358 1.00 1.00 C ATOM 169 NZ LYS A 12 9.915 -9.777 -9.219 1.00 1.00 N ATOM 0 H LYS A 12 7.487 -7.279 -5.268 1.00 1.00 H new ATOM 0 HA LYS A 12 6.915 -9.574 -3.775 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.698 -8.649 -4.414 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.060 -10.279 -4.342 1.00 1.00 H new ATOM 0 HG2 LYS A 12 7.424 -9.324 -6.271 1.00 1.00 H new ATOM 0 HG3 LYS A 12 8.757 -8.212 -6.513 1.00 1.00 H new ATOM 0 HD2 LYS A 12 10.330 -10.089 -6.819 1.00 1.00 H new ATOM 0 HD3 LYS A 12 9.074 -11.249 -6.433 1.00 1.00 H new ATOM 0 HE2 LYS A 12 8.593 -11.327 -8.653 1.00 1.00 H new ATOM 0 HE3 LYS A 12 7.929 -9.713 -8.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 9.612 -9.804 -10.213 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 10.126 -8.795 -8.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.769 -10.359 -9.102 1.00 1.00 H new ATOM 182 N GLY A 13 7.032 -8.690 -1.457 1.00 1.00 N ATOM 183 CA GLY A 13 7.234 -8.446 -0.039 1.00 1.00 C ATOM 184 C GLY A 13 8.287 -9.396 0.535 1.00 1.00 C ATOM 185 O GLY A 13 9.413 -9.450 0.044 1.00 1.00 O ATOM 0 H GLY A 13 6.109 -9.049 -1.701 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.548 -7.414 0.115 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.292 -8.576 0.494 1.00 1.00 H new ATOM 189 N SER A 14 7.883 -10.120 1.569 1.00 1.00 N ATOM 190 CA SER A 14 8.778 -11.064 2.216 1.00 1.00 C ATOM 191 C SER A 14 8.883 -12.342 1.381 1.00 1.00 C ATOM 192 O SER A 14 9.959 -12.682 0.892 1.00 1.00 O ATOM 193 CB SER A 14 8.302 -11.393 3.632 1.00 1.00 C ATOM 194 OG SER A 14 8.505 -12.765 3.959 1.00 1.00 O ATOM 0 H SER A 14 6.948 -10.072 1.974 1.00 1.00 H new ATOM 0 HA SER A 14 9.763 -10.604 2.291 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.835 -10.767 4.348 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.243 -11.151 3.724 1.00 1.00 H new ATOM 0 HG SER A 14 8.190 -12.934 4.871 1.00 1.00 H new ATOM 200 N GLN A 15 7.750 -13.016 1.245 1.00 1.00 N ATOM 201 CA GLN A 15 7.701 -14.249 0.478 1.00 1.00 C ATOM 202 C GLN A 15 6.582 -14.182 -0.564 1.00 1.00 C ATOM 203 O GLN A 15 6.836 -14.306 -1.761 1.00 1.00 O ATOM 204 CB GLN A 15 7.523 -15.460 1.396 1.00 1.00 C ATOM 205 CG GLN A 15 7.593 -16.765 0.602 1.00 1.00 C ATOM 206 CD GLN A 15 7.702 -17.971 1.538 1.00 1.00 C ATOM 207 OE1 GLN A 15 7.728 -17.847 2.751 1.00 1.00 O ATOM 208 NE2 GLN A 15 7.764 -19.141 0.908 1.00 1.00 N ATOM 0 H GLN A 15 6.859 -12.731 1.653 1.00 1.00 H new ATOM 0 HA GLN A 15 8.651 -14.367 -0.044 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.297 -15.455 2.164 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.564 -15.394 1.909 1.00 1.00 H new ATOM 0 HG2 GLN A 15 6.705 -16.863 -0.022 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.452 -16.741 -0.068 1.00 1.00 H new ATOM 0 HE21 GLN A 15 7.737 -19.174 -0.111 1.00 1.00 H new ATOM 0 HE22 GLN A 15 7.838 -20.006 1.444 1.00 1.00 H new ATOM 217 N LYS A 16 5.369 -13.986 -0.070 1.00 1.00 N ATOM 218 CA LYS A 16 4.210 -13.901 -0.943 1.00 1.00 C ATOM 219 C LYS A 16 4.341 -12.667 -1.839 1.00 1.00 C ATOM 220 O LYS A 16 4.889 -11.648 -1.421 1.00 1.00 O ATOM 221 CB LYS A 16 2.919 -13.932 -0.124 1.00 1.00 C ATOM 222 CG LYS A 16 2.363 -15.354 -0.030 1.00 1.00 C ATOM 223 CD LYS A 16 0.833 -15.349 -0.071 1.00 1.00 C ATOM 224 CE LYS A 16 0.319 -15.844 -1.424 1.00 1.00 C ATOM 225 NZ LYS A 16 0.312 -14.741 -2.411 1.00 1.00 N ATOM 0 H LYS A 16 5.163 -13.884 0.924 1.00 1.00 H new ATOM 0 HA LYS A 16 4.164 -14.769 -1.600 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.110 -13.546 0.877 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.178 -13.277 -0.582 1.00 1.00 H new ATOM 0 HG2 LYS A 16 2.750 -15.955 -0.853 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.704 -15.821 0.894 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.442 -15.983 0.725 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.464 -14.340 0.115 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.949 -16.658 -1.783 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.688 -16.246 -1.312 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -0.149 -15.062 -3.287 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.210 -13.930 -2.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 1.290 -14.455 -2.619 1.00 1.00 H new ATOM 238 N THR A 17 3.830 -12.800 -3.053 1.00 1.00 N ATOM 239 CA THR A 17 3.883 -11.708 -4.011 1.00 1.00 C ATOM 240 C THR A 17 2.523 -11.014 -4.104 1.00 1.00 C ATOM 241 O THR A 17 1.489 -11.674 -4.192 1.00 1.00 O ATOM 242 CB THR A 17 4.368 -12.275 -5.347 1.00 1.00 C ATOM 243 OG1 THR A 17 5.725 -12.633 -5.100 1.00 1.00 O ATOM 244 CG2 THR A 17 4.458 -11.206 -6.438 1.00 1.00 C ATOM 0 H THR A 17 3.377 -13.647 -3.396 1.00 1.00 H new ATOM 0 HA THR A 17 4.585 -10.937 -3.694 1.00 1.00 H new ATOM 0 HB THR A 17 3.694 -13.069 -5.670 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.117 -13.011 -5.915 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.807 -11.661 -7.365 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.474 -10.765 -6.598 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.158 -10.429 -6.129 1.00 1.00 H new ATOM 252 N VAL A 18 2.568 -9.690 -4.081 1.00 1.00 N ATOM 253 CA VAL A 18 1.352 -8.898 -4.161 1.00 1.00 C ATOM 254 C VAL A 18 1.552 -7.765 -5.169 1.00 1.00 C ATOM 255 O VAL A 18 2.533 -7.026 -5.091 1.00 1.00 O ATOM 256 CB VAL A 18 0.961 -8.398 -2.769 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.419 -7.736 -2.792 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.007 -9.534 -1.745 1.00 1.00 C ATOM 0 H VAL A 18 3.427 -9.146 -4.008 1.00 1.00 H new ATOM 0 HA VAL A 18 0.522 -9.508 -4.518 1.00 1.00 H new ATOM 0 HB VAL A 18 1.689 -7.645 -2.467 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.673 -7.389 -1.790 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.404 -6.888 -3.477 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.164 -8.459 -3.126 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.725 -9.151 -0.764 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.312 -10.320 -2.042 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.017 -9.941 -1.699 1.00 1.00 H new ATOM 268 N MET A 19 0.607 -7.662 -6.091 1.00 1.00 N ATOM 269 CA MET A 19 0.667 -6.631 -7.113 1.00 1.00 C ATOM 270 C MET A 19 -0.419 -5.576 -6.892 1.00 1.00 C ATOM 271 O MET A 19 -1.584 -5.913 -6.686 1.00 1.00 O ATOM 272 CB MET A 19 0.487 -7.268 -8.493 1.00 1.00 C ATOM 273 CG MET A 19 -0.952 -7.748 -8.691 1.00 1.00 C ATOM 274 SD MET A 19 -1.035 -8.877 -10.071 1.00 1.00 S ATOM 275 CE MET A 19 -2.779 -8.789 -10.440 1.00 1.00 C ATOM 0 H MET A 19 -0.205 -8.276 -6.152 1.00 1.00 H new ATOM 0 HA MET A 19 1.640 -6.143 -7.053 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.743 -6.545 -9.268 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.173 -8.108 -8.602 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.308 -8.240 -7.786 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.607 -6.895 -8.868 1.00 1.00 H new ATOM 0 HE1 MET A 19 -3.006 -9.440 -11.284 1.00 1.00 H new ATOM 0 HE2 MET A 19 -3.352 -9.111 -9.570 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.046 -7.763 -10.691 1.00 1.00 H new ATOM 285 N PHE A 20 0.002 -4.321 -6.943 1.00 1.00 N ATOM 286 CA PHE A 20 -0.920 -3.214 -6.751 1.00 1.00 C ATOM 287 C PHE A 20 -1.182 -2.483 -8.070 1.00 1.00 C ATOM 288 O PHE A 20 -0.269 -2.036 -8.761 1.00 1.00 O ATOM 289 CB PHE A 20 -0.259 -2.247 -5.768 1.00 1.00 C ATOM 290 CG PHE A 20 -0.847 -0.834 -5.794 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.959 -0.547 -5.065 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.258 0.134 -6.546 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.505 0.763 -5.089 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.804 1.444 -6.570 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.916 1.732 -5.841 1.00 1.00 C ATOM 0 H PHE A 20 0.969 -4.046 -7.114 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.874 -3.585 -6.377 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.353 -2.650 -4.760 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.806 -2.190 -5.991 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.426 -1.316 -4.468 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.625 -0.094 -7.125 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.388 0.991 -4.510 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.336 2.213 -7.167 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.331 2.729 -5.859 1.00 1.00 H new ATOM 305 N PRO A 21 -2.469 -2.371 -8.407 1.00 1.00 N ATOM 306 CA PRO A 21 -2.943 -1.718 -9.608 1.00 1.00 C ATOM 307 C PRO A 21 -3.160 -0.237 -9.332 1.00 1.00 C ATOM 308 O PRO A 21 -3.661 0.108 -8.264 1.00 1.00 O ATOM 309 CB PRO A 21 -4.263 -2.412 -9.936 1.00 1.00 C ATOM 310 CG PRO A 21 -4.813 -2.628 -8.463 1.00 1.00 C ATOM 311 CD PRO A 21 -3.567 -2.885 -7.618 1.00 1.00 C ATOM 0 HA PRO A 21 -2.237 -1.788 -10.436 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -4.923 -1.793 -10.544 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.122 -3.350 -10.473 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.357 -1.751 -8.111 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.503 -3.470 -8.417 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.632 -2.379 -6.655 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.442 -3.948 -7.412 1.00 1.00 H new ATOM 319 N HIS A 22 -2.781 0.611 -10.289 1.00 1.00 N ATOM 320 CA HIS A 22 -2.924 2.057 -10.167 1.00 1.00 C ATOM 321 C HIS A 22 -4.318 2.486 -10.663 1.00 1.00 C ATOM 322 O HIS A 22 -4.895 3.438 -10.139 1.00 1.00 O ATOM 323 CB HIS A 22 -1.757 2.736 -10.899 1.00 1.00 C ATOM 324 CG HIS A 22 -0.520 3.027 -10.081 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.608 2.322 -10.206 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.272 3.977 -9.119 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.523 2.812 -9.355 1.00 1.00 C ATOM 328 NE2 HIS A 22 1.031 3.836 -8.659 1.00 1.00 N ATOM 0 H HIS A 22 -2.366 0.311 -11.171 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.869 2.377 -9.126 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.469 2.104 -11.739 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.118 3.676 -11.316 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -0.979 4.717 -8.775 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.526 2.427 -9.248 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.505 4.392 -7.947 1.00 1.00 H new ATOM 336 N ALA A 23 -4.811 1.766 -11.660 1.00 1.00 N ATOM 337 CA ALA A 23 -6.117 2.063 -12.223 1.00 1.00 C ATOM 338 C ALA A 23 -7.129 2.234 -11.089 1.00 1.00 C ATOM 339 O ALA A 23 -7.816 3.247 -10.975 1.00 1.00 O ATOM 340 CB ALA A 23 -6.516 0.955 -13.199 1.00 1.00 C ATOM 0 H ALA A 23 -4.329 0.978 -12.092 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.090 2.997 -12.784 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.496 1.178 -13.621 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.780 0.894 -14.001 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.557 0.002 -12.671 1.00 1.00 H new ATOM 346 N PRO A 24 -7.206 1.206 -10.241 1.00 1.00 N ATOM 347 CA PRO A 24 -8.092 1.155 -9.098 1.00 1.00 C ATOM 348 C PRO A 24 -7.691 2.226 -8.093 1.00 1.00 C ATOM 349 O PRO A 24 -8.386 2.402 -7.095 1.00 1.00 O ATOM 350 CB PRO A 24 -7.899 -0.243 -8.515 1.00 1.00 C ATOM 351 CG PRO A 24 -7.238 -1.077 -9.645 1.00 1.00 C ATOM 352 CD PRO A 24 -6.413 0.000 -10.345 1.00 1.00 C ATOM 0 HA PRO A 24 -9.134 1.339 -9.360 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.267 -0.214 -7.628 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.852 -0.677 -8.213 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.619 -1.885 -9.255 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -7.974 -1.531 -10.309 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.441 0.125 -9.868 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.226 -0.261 -11.387 1.00 1.00 H new ATOM 360 N HIS A 25 -6.585 2.918 -8.366 1.00 1.00 N ATOM 361 CA HIS A 25 -6.075 3.972 -7.497 1.00 1.00 C ATOM 362 C HIS A 25 -5.689 5.201 -8.341 1.00 1.00 C ATOM 363 O HIS A 25 -4.662 5.829 -8.085 1.00 1.00 O ATOM 364 CB HIS A 25 -4.930 3.405 -6.646 1.00 1.00 C ATOM 365 CG HIS A 25 -5.253 2.207 -5.783 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.107 0.950 -6.212 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.723 2.119 -4.494 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.471 0.112 -5.229 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.860 0.781 -4.146 1.00 1.00 N ATOM 0 H HIS A 25 -6.018 2.761 -9.199 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.838 4.319 -6.801 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.113 3.133 -7.314 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.561 4.201 -5.999 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.774 0.673 -7.135 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -5.950 2.958 -3.853 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.451 -0.965 -5.307 1.00 1.00 H new ATOM 377 N GLU A 26 -6.529 5.503 -9.321 1.00 1.00 N ATOM 378 CA GLU A 26 -6.284 6.639 -10.192 1.00 1.00 C ATOM 379 C GLU A 26 -7.182 7.813 -9.798 1.00 1.00 C ATOM 380 O GLU A 26 -7.261 8.808 -10.518 1.00 1.00 O ATOM 381 CB GLU A 26 -6.491 6.259 -11.660 1.00 1.00 C ATOM 382 CG GLU A 26 -5.217 6.495 -12.473 1.00 1.00 C ATOM 383 CD GLU A 26 -5.528 7.227 -13.780 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.110 8.381 -13.959 1.00 1.00 O ATOM 385 OE2 GLU A 26 -6.230 6.555 -14.627 1.00 1.00 O ATOM 0 H GLU A 26 -7.380 4.980 -9.530 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.245 6.946 -10.073 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.782 5.211 -11.730 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.308 6.846 -12.079 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.509 7.079 -11.885 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.739 5.540 -12.692 1.00 1.00 H new ATOM 393 N LYS A 27 -7.837 7.659 -8.657 1.00 1.00 N ATOM 394 CA LYS A 27 -8.726 8.694 -8.158 1.00 1.00 C ATOM 395 C LYS A 27 -8.249 9.150 -6.778 1.00 1.00 C ATOM 396 O LYS A 27 -8.812 10.076 -6.197 1.00 1.00 O ATOM 397 CB LYS A 27 -10.177 8.210 -8.179 1.00 1.00 C ATOM 398 CG LYS A 27 -10.909 8.722 -9.421 1.00 1.00 C ATOM 399 CD LYS A 27 -12.373 9.036 -9.104 1.00 1.00 C ATOM 400 CE LYS A 27 -12.677 10.518 -9.333 1.00 1.00 C ATOM 401 NZ LYS A 27 -13.656 11.007 -8.337 1.00 1.00 N ATOM 0 H LYS A 27 -7.770 6.832 -8.063 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.696 9.567 -8.809 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.201 7.120 -8.162 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.692 8.554 -7.282 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.414 9.618 -9.796 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.857 7.974 -10.212 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -13.024 8.426 -9.731 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.590 8.772 -8.069 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -11.757 11.099 -9.263 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.070 10.663 -10.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -13.851 12.014 -8.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.539 10.464 -8.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.267 10.886 -7.380 1.00 1.00 H new ATOM 414 N VAL A 28 -7.216 8.477 -6.293 1.00 1.00 N ATOM 415 CA VAL A 28 -6.656 8.801 -4.991 1.00 1.00 C ATOM 416 C VAL A 28 -5.358 9.588 -5.180 1.00 1.00 C ATOM 417 O VAL A 28 -4.443 9.128 -5.861 1.00 1.00 O ATOM 418 CB VAL A 28 -6.467 7.523 -4.171 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.015 7.849 -2.746 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.745 6.683 -4.162 1.00 1.00 C ATOM 0 H VAL A 28 -6.752 7.709 -6.778 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.341 9.435 -4.427 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.683 6.933 -4.645 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.888 6.924 -2.184 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.067 8.387 -2.779 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.767 8.469 -2.259 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.583 5.781 -3.572 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.558 7.262 -3.724 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.006 6.407 -5.184 1.00 1.00 H new ATOM 430 N GLU A 29 -5.320 10.761 -4.565 1.00 1.00 N ATOM 431 CA GLU A 29 -4.149 11.616 -4.658 1.00 1.00 C ATOM 432 C GLU A 29 -2.876 10.800 -4.427 1.00 1.00 C ATOM 433 O GLU A 29 -2.820 9.974 -3.516 1.00 1.00 O ATOM 434 CB GLU A 29 -4.241 12.780 -3.668 1.00 1.00 C ATOM 435 CG GLU A 29 -4.342 14.118 -4.404 1.00 1.00 C ATOM 436 CD GLU A 29 -2.976 14.802 -4.487 1.00 1.00 C ATOM 437 OE1 GLU A 29 -1.979 14.156 -4.842 1.00 1.00 O ATOM 438 OE2 GLU A 29 -2.973 16.052 -4.167 1.00 1.00 O ATOM 0 H GLU A 29 -6.081 11.139 -4.001 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.110 12.037 -5.662 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.111 12.648 -3.025 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.364 12.782 -3.021 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.733 13.956 -5.408 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.048 14.769 -3.888 1.00 1.00 H new ATOM 446 N CYS A 30 -1.885 11.058 -5.267 1.00 1.00 N ATOM 447 CA CYS A 30 -0.616 10.358 -5.166 1.00 1.00 C ATOM 448 C CYS A 30 -0.126 10.456 -3.720 1.00 1.00 C ATOM 449 O CYS A 30 0.064 9.439 -3.055 1.00 1.00 O ATOM 450 CB CYS A 30 0.414 10.907 -6.156 1.00 1.00 C ATOM 451 SG CYS A 30 -0.243 11.267 -7.825 1.00 1.00 S ATOM 0 H CYS A 30 -1.935 11.743 -6.021 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.755 9.310 -5.431 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.842 11.821 -5.744 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.228 10.188 -6.248 1.00 1.00 H new ATOM 0 HG CYS A 30 0.712 11.727 -8.577 1.00 1.00 H new ATOM 456 N VAL A 31 0.063 11.690 -3.276 1.00 1.00 N ATOM 457 CA VAL A 31 0.527 11.935 -1.921 1.00 1.00 C ATOM 458 C VAL A 31 -0.138 10.936 -0.971 1.00 1.00 C ATOM 459 O VAL A 31 0.538 10.292 -0.169 1.00 1.00 O ATOM 460 CB VAL A 31 0.266 13.392 -1.533 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.196 13.771 -1.776 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.666 13.653 -0.080 1.00 1.00 C ATOM 0 H VAL A 31 -0.097 12.531 -3.831 1.00 1.00 H new ATOM 0 HA VAL A 31 1.604 11.783 -1.853 1.00 1.00 H new ATOM 0 HB VAL A 31 0.886 14.024 -2.169 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.354 14.811 -1.492 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.434 13.643 -2.832 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.843 13.129 -1.178 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.470 14.696 0.170 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.086 13.007 0.579 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.728 13.442 0.049 1.00 1.00 H new ATOM 472 N THR A 32 -1.453 10.838 -1.092 1.00 1.00 N ATOM 473 CA THR A 32 -2.217 9.929 -0.255 1.00 1.00 C ATOM 474 C THR A 32 -1.439 8.630 -0.031 1.00 1.00 C ATOM 475 O THR A 32 -1.401 8.110 1.083 1.00 1.00 O ATOM 476 CB THR A 32 -3.582 9.714 -0.911 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.948 11.008 -1.382 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.672 9.365 0.104 1.00 1.00 C ATOM 0 H THR A 32 -2.010 11.374 -1.758 1.00 1.00 H new ATOM 0 HA THR A 32 -2.381 10.349 0.737 1.00 1.00 H new ATOM 0 HB THR A 32 -3.507 8.917 -1.651 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.917 11.041 -1.528 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.620 9.223 -0.415 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.403 8.447 0.626 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.771 10.176 0.825 1.00 1.00 H new ATOM 486 N CYS A 33 -0.838 8.145 -1.107 1.00 1.00 N ATOM 487 CA CYS A 33 -0.064 6.917 -1.042 1.00 1.00 C ATOM 488 C CYS A 33 1.420 7.287 -0.997 1.00 1.00 C ATOM 489 O CYS A 33 2.146 6.871 -0.097 1.00 1.00 O ATOM 490 CB CYS A 33 -0.384 5.984 -2.212 1.00 1.00 C ATOM 491 SG CYS A 33 -1.635 4.749 -1.702 1.00 1.00 S ATOM 0 H CYS A 33 -0.871 8.580 -2.029 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.328 6.365 -0.140 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.755 6.562 -3.058 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.523 5.479 -2.544 1.00 1.00 H new ATOM 0 HG CYS A 33 -1.902 3.963 -2.702 1.00 1.00 H new ATOM 496 N HIS A 34 1.835 8.074 -1.990 1.00 1.00 N ATOM 497 CA HIS A 34 3.214 8.531 -2.115 1.00 1.00 C ATOM 498 C HIS A 34 3.439 9.760 -1.214 1.00 1.00 C ATOM 499 O HIS A 34 3.611 10.872 -1.707 1.00 1.00 O ATOM 500 CB HIS A 34 3.527 8.771 -3.599 1.00 1.00 C ATOM 501 CG HIS A 34 3.474 7.564 -4.508 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.469 6.674 -4.580 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.508 7.130 -5.384 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.135 5.723 -5.466 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.934 5.956 -5.992 1.00 1.00 N ATOM 0 H HIS A 34 1.221 8.412 -2.731 1.00 1.00 H new ATOM 0 HA HIS A 34 3.917 7.775 -1.766 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.826 9.514 -3.979 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.523 9.207 -3.670 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.339 6.712 -4.049 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.566 7.624 -5.570 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.759 4.879 -5.719 1.00 1.00 H new ATOM 513 N HIS A 35 3.431 9.515 0.097 1.00 1.00 N ATOM 514 CA HIS A 35 3.629 10.557 1.098 1.00 1.00 C ATOM 515 C HIS A 35 4.846 11.420 0.718 1.00 1.00 C ATOM 516 O HIS A 35 5.684 10.993 -0.075 1.00 1.00 O ATOM 517 CB HIS A 35 3.728 9.902 2.484 1.00 1.00 C ATOM 518 CG HIS A 35 5.006 9.159 2.796 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.200 9.759 2.816 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.237 7.839 3.100 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.138 8.849 3.121 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.597 7.646 3.306 1.00 1.00 N ATOM 0 H HIS A 35 3.287 8.586 0.492 1.00 1.00 H new ATOM 0 HA HIS A 35 2.781 11.241 1.134 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.594 10.678 3.237 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.896 9.206 2.591 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.371 10.747 2.630 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.480 7.072 3.168 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.193 9.064 3.205 1.00 1.00 H new ATOM 530 N LEU A 36 4.901 12.610 1.299 1.00 1.00 N ATOM 531 CA LEU A 36 5.997 13.525 1.029 1.00 1.00 C ATOM 532 C LEU A 36 7.193 13.154 1.908 1.00 1.00 C ATOM 533 O LEU A 36 7.027 12.547 2.964 1.00 1.00 O ATOM 534 CB LEU A 36 5.537 14.975 1.194 1.00 1.00 C ATOM 535 CG LEU A 36 4.097 15.274 0.773 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.235 15.636 1.984 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.056 16.360 -0.305 1.00 1.00 C ATOM 0 H LEU A 36 4.204 12.961 1.956 1.00 1.00 H new ATOM 0 HA LEU A 36 6.323 13.435 -0.007 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.654 15.256 2.241 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.204 15.615 0.616 1.00 1.00 H new ATOM 0 HG LEU A 36 3.674 14.369 0.336 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.216 15.844 1.656 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.227 14.803 2.687 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.646 16.519 2.472 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.021 16.554 -0.587 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.504 17.275 0.083 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.614 16.026 -1.180 1.00 1.00 H new ATOM 549 N VAL A 37 8.372 13.536 1.439 1.00 1.00 N ATOM 550 CA VAL A 37 9.595 13.252 2.169 1.00 1.00 C ATOM 551 C VAL A 37 10.349 14.559 2.421 1.00 1.00 C ATOM 552 O VAL A 37 10.844 15.185 1.485 1.00 1.00 O ATOM 553 CB VAL A 37 10.429 12.218 1.411 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.761 11.961 2.119 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.648 10.915 1.222 1.00 1.00 C ATOM 0 H VAL A 37 8.506 14.040 0.562 1.00 1.00 H new ATOM 0 HA VAL A 37 9.366 12.816 3.141 1.00 1.00 H new ATOM 0 HB VAL A 37 10.648 12.624 0.423 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.334 11.222 1.559 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.327 12.891 2.178 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.572 11.587 3.125 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.264 10.197 0.680 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.384 10.504 2.197 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.739 11.115 0.654 1.00 1.00 H new ATOM 565 N ASP A 38 10.413 14.934 3.690 1.00 1.00 N ATOM 566 CA ASP A 38 11.098 16.155 4.077 1.00 1.00 C ATOM 567 C ASP A 38 10.532 17.328 3.275 1.00 1.00 C ATOM 568 O ASP A 38 11.278 18.203 2.837 1.00 1.00 O ATOM 569 CB ASP A 38 12.597 16.062 3.785 1.00 1.00 C ATOM 570 CG ASP A 38 13.503 16.695 4.843 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.031 17.394 5.752 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.760 16.442 4.706 1.00 1.00 O ATOM 0 H ASP A 38 10.001 14.413 4.464 1.00 1.00 H new ATOM 0 HA ASP A 38 10.948 16.302 5.147 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.867 15.011 3.679 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.795 16.540 2.826 1.00 1.00 H new ATOM 578 N GLY A 39 9.218 17.309 3.106 1.00 1.00 N ATOM 579 CA GLY A 39 8.543 18.360 2.364 1.00 1.00 C ATOM 580 C GLY A 39 9.108 18.480 0.947 1.00 1.00 C ATOM 581 O GLY A 39 9.150 19.572 0.382 1.00 1.00 O ATOM 0 H GLY A 39 8.603 16.582 3.470 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.475 18.148 2.317 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.657 19.310 2.887 1.00 1.00 H new ATOM 585 N LYS A 40 9.526 17.342 0.413 1.00 1.00 N ATOM 586 CA LYS A 40 10.086 17.306 -0.927 1.00 1.00 C ATOM 587 C LYS A 40 9.415 16.186 -1.725 1.00 1.00 C ATOM 588 O LYS A 40 9.734 15.012 -1.544 1.00 1.00 O ATOM 589 CB LYS A 40 11.611 17.190 -0.868 1.00 1.00 C ATOM 590 CG LYS A 40 12.229 17.383 -2.254 1.00 1.00 C ATOM 591 CD LYS A 40 13.629 17.991 -2.150 1.00 1.00 C ATOM 592 CE LYS A 40 14.386 17.854 -3.472 1.00 1.00 C ATOM 593 NZ LYS A 40 14.665 19.187 -4.051 1.00 1.00 N ATOM 0 H LYS A 40 9.488 16.438 0.884 1.00 1.00 H new ATOM 0 HA LYS A 40 9.880 18.239 -1.451 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.010 17.936 -0.181 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.890 16.213 -0.474 1.00 1.00 H new ATOM 0 HG2 LYS A 40 12.283 16.424 -2.769 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.591 18.032 -2.854 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.553 19.044 -1.878 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.186 17.496 -1.355 1.00 1.00 H new ATOM 0 HE2 LYS A 40 15.322 17.319 -3.308 1.00 1.00 H new ATOM 0 HE3 LYS A 40 13.799 17.262 -4.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.179 19.075 -4.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 13.768 19.684 -4.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 15.244 19.740 -3.387 1.00 1.00 H new ATOM 606 N GLU A 41 8.498 16.589 -2.592 1.00 1.00 N ATOM 607 CA GLU A 41 7.779 15.634 -3.418 1.00 1.00 C ATOM 608 C GLU A 41 8.743 14.591 -3.985 1.00 1.00 C ATOM 609 O GLU A 41 9.769 14.940 -4.568 1.00 1.00 O ATOM 610 CB GLU A 41 7.017 16.344 -4.540 1.00 1.00 C ATOM 611 CG GLU A 41 5.916 17.242 -3.973 1.00 1.00 C ATOM 612 CD GLU A 41 6.011 18.656 -4.549 1.00 1.00 C ATOM 613 OE1 GLU A 41 6.902 19.426 -4.160 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.116 18.946 -5.432 1.00 1.00 O ATOM 0 H GLU A 41 8.236 17.564 -2.740 1.00 1.00 H new ATOM 0 HA GLU A 41 7.047 15.122 -2.794 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.709 16.942 -5.133 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.579 15.605 -5.211 1.00 1.00 H new ATOM 0 HG2 GLU A 41 4.940 16.816 -4.204 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.998 17.282 -2.887 1.00 1.00 H new ATOM 622 N SER A 42 8.380 13.331 -3.794 1.00 1.00 N ATOM 623 CA SER A 42 9.201 12.234 -4.279 1.00 1.00 C ATOM 624 C SER A 42 8.316 11.044 -4.654 1.00 1.00 C ATOM 625 O SER A 42 7.194 10.888 -4.175 1.00 1.00 O ATOM 626 CB SER A 42 10.236 11.816 -3.233 1.00 1.00 C ATOM 627 OG SER A 42 11.012 10.701 -3.664 1.00 1.00 O ATOM 0 H SER A 42 7.529 13.045 -3.310 1.00 1.00 H new ATOM 0 HA SER A 42 9.737 12.574 -5.165 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.896 12.657 -3.021 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.729 11.566 -2.301 1.00 1.00 H new ATOM 0 HG SER A 42 11.662 10.467 -2.969 1.00 1.00 H new ATOM 633 N TYR A 43 8.852 10.197 -5.535 1.00 1.00 N ATOM 634 CA TYR A 43 8.141 9.021 -5.994 1.00 1.00 C ATOM 635 C TYR A 43 9.117 7.869 -6.185 1.00 1.00 C ATOM 636 O TYR A 43 9.156 7.297 -7.274 1.00 1.00 O ATOM 637 CB TYR A 43 7.420 9.342 -7.300 1.00 1.00 C ATOM 638 CG TYR A 43 6.314 10.358 -7.144 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.626 11.698 -6.883 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.977 9.961 -7.261 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.601 12.640 -6.739 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.952 10.903 -7.117 1.00 1.00 C ATOM 643 CZ TYR A 43 4.264 12.243 -6.856 1.00 1.00 C ATOM 644 OH TYR A 43 3.265 13.161 -6.716 1.00 1.00 O ATOM 0 H TYR A 43 9.781 10.312 -5.941 1.00 1.00 H new ATOM 0 HA TYR A 43 7.402 8.724 -5.250 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.145 9.714 -8.024 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.003 8.423 -7.711 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.658 12.005 -6.793 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.736 8.928 -7.462 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.842 13.673 -6.538 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.920 10.596 -7.207 1.00 1.00 H new ATOM 0 HH TYR A 43 2.426 12.786 -7.057 1.00 1.00 H new ATOM 654 N ALA A 44 9.875 7.554 -5.145 1.00 1.00 N ATOM 655 CA ALA A 44 10.839 6.470 -5.222 1.00 1.00 C ATOM 656 C ALA A 44 10.181 5.173 -4.745 1.00 1.00 C ATOM 657 O ALA A 44 9.322 5.196 -3.865 1.00 1.00 O ATOM 658 CB ALA A 44 12.079 6.830 -4.402 1.00 1.00 C ATOM 0 H ALA A 44 9.841 8.031 -4.244 1.00 1.00 H new ATOM 0 HA ALA A 44 11.162 6.317 -6.252 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.802 6.017 -4.460 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.526 7.742 -4.799 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.794 6.989 -3.362 1.00 1.00 H new ATOM 664 N LYS A 45 10.610 4.073 -5.347 1.00 1.00 N ATOM 665 CA LYS A 45 10.074 2.770 -4.994 1.00 1.00 C ATOM 666 C LYS A 45 9.890 2.692 -3.477 1.00 1.00 C ATOM 667 O LYS A 45 10.650 3.298 -2.724 1.00 1.00 O ATOM 668 CB LYS A 45 10.955 1.656 -5.565 1.00 1.00 C ATOM 669 CG LYS A 45 10.374 1.113 -6.872 1.00 1.00 C ATOM 670 CD LYS A 45 11.152 -0.115 -7.349 1.00 1.00 C ATOM 671 CE LYS A 45 10.396 -1.404 -7.020 1.00 1.00 C ATOM 672 NZ LYS A 45 11.261 -2.331 -6.256 1.00 1.00 N ATOM 0 H LYS A 45 11.323 4.058 -6.077 1.00 1.00 H new ATOM 0 HA LYS A 45 9.090 2.629 -5.442 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.961 2.037 -5.741 1.00 1.00 H new ATOM 0 HB3 LYS A 45 11.043 0.848 -4.838 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.326 0.850 -6.727 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.405 1.888 -7.638 1.00 1.00 H new ATOM 0 HD2 LYS A 45 11.317 -0.050 -8.424 1.00 1.00 H new ATOM 0 HD3 LYS A 45 12.134 -0.134 -6.876 1.00 1.00 H new ATOM 0 HE2 LYS A 45 9.502 -1.171 -6.441 1.00 1.00 H new ATOM 0 HE3 LYS A 45 10.064 -1.883 -7.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 10.733 -3.201 -6.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 12.101 -2.567 -6.821 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 11.557 -1.877 -5.368 1.00 1.00 H new ATOM 685 N CYS A 46 8.876 1.941 -3.075 1.00 1.00 N ATOM 686 CA CYS A 46 8.582 1.776 -1.661 1.00 1.00 C ATOM 687 C CYS A 46 9.891 1.469 -0.931 1.00 1.00 C ATOM 688 O CYS A 46 10.074 1.872 0.217 1.00 1.00 O ATOM 689 CB CYS A 46 7.529 0.691 -1.425 1.00 1.00 C ATOM 690 SG CYS A 46 6.069 1.234 -0.464 1.00 1.00 S ATOM 0 H CYS A 46 8.248 1.440 -3.703 1.00 1.00 H new ATOM 0 HA CYS A 46 8.154 2.697 -1.266 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.191 0.316 -2.391 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.998 -0.144 -0.905 1.00 1.00 H new ATOM 0 HG CYS A 46 5.188 0.278 -0.435 1.00 1.00 H new ATOM 695 N GLY A 47 10.767 0.760 -1.626 1.00 1.00 N ATOM 696 CA GLY A 47 12.054 0.395 -1.058 1.00 1.00 C ATOM 697 C GLY A 47 13.195 1.120 -1.774 1.00 1.00 C ATOM 698 O GLY A 47 14.047 0.485 -2.394 1.00 1.00 O ATOM 0 H GLY A 47 10.611 0.428 -2.578 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.070 0.643 0.003 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.197 -0.683 -1.136 1.00 1.00 H new ATOM 702 N SER A 48 13.175 2.440 -1.665 1.00 1.00 N ATOM 703 CA SER A 48 14.197 3.259 -2.295 1.00 1.00 C ATOM 704 C SER A 48 15.272 3.632 -1.272 1.00 1.00 C ATOM 705 O SER A 48 15.083 3.443 -0.071 1.00 1.00 O ATOM 706 CB SER A 48 13.590 4.521 -2.911 1.00 1.00 C ATOM 707 OG SER A 48 14.591 5.434 -3.353 1.00 1.00 O ATOM 0 H SER A 48 12.467 2.963 -1.150 1.00 1.00 H new ATOM 0 HA SER A 48 14.653 2.679 -3.098 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.955 4.244 -3.752 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.951 5.011 -2.177 1.00 1.00 H new ATOM 0 HG SER A 48 14.396 6.328 -3.003 1.00 1.00 H new ATOM 713 N SER A 49 16.375 4.156 -1.785 1.00 1.00 N ATOM 714 CA SER A 49 17.480 4.557 -0.931 1.00 1.00 C ATOM 715 C SER A 49 16.948 5.271 0.313 1.00 1.00 C ATOM 716 O SER A 49 16.183 6.229 0.204 1.00 1.00 O ATOM 717 CB SER A 49 18.458 5.462 -1.684 1.00 1.00 C ATOM 718 OG SER A 49 19.537 5.888 -0.856 1.00 1.00 O ATOM 0 H SER A 49 16.527 4.312 -2.781 1.00 1.00 H new ATOM 0 HA SER A 49 18.018 3.660 -0.625 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.853 4.929 -2.549 1.00 1.00 H new ATOM 0 HB3 SER A 49 17.926 6.334 -2.063 1.00 1.00 H new ATOM 0 HG SER A 49 20.140 6.462 -1.374 1.00 1.00 H new ATOM 724 N GLY A 50 17.373 4.778 1.467 1.00 1.00 N ATOM 725 CA GLY A 50 16.948 5.357 2.730 1.00 1.00 C ATOM 726 C GLY A 50 15.422 5.389 2.833 1.00 1.00 C ATOM 727 O GLY A 50 14.836 6.435 3.107 1.00 1.00 O ATOM 0 H GLY A 50 18.007 3.984 1.554 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.360 4.778 3.556 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.343 6.369 2.822 1.00 1.00 H new ATOM 731 N CYS A 51 14.821 4.230 2.609 1.00 1.00 N ATOM 732 CA CYS A 51 13.374 4.112 2.673 1.00 1.00 C ATOM 733 C CYS A 51 13.030 2.764 3.311 1.00 1.00 C ATOM 734 O CYS A 51 13.730 2.293 4.204 1.00 1.00 O ATOM 735 CB CYS A 51 12.732 4.270 1.293 1.00 1.00 C ATOM 736 SG CYS A 51 13.441 5.724 0.436 1.00 1.00 S ATOM 0 H CYS A 51 15.310 3.364 2.383 1.00 1.00 H new ATOM 0 HA CYS A 51 12.968 4.917 3.285 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.899 3.371 0.700 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.653 4.388 1.396 1.00 1.00 H new ATOM 0 HG CYS A 51 14.663 5.463 0.077 1.00 1.00 H new ATOM 741 N HIS A 52 11.938 2.173 2.824 1.00 1.00 N ATOM 742 CA HIS A 52 11.454 0.885 3.308 1.00 1.00 C ATOM 743 C HIS A 52 11.946 -0.239 2.377 1.00 1.00 C ATOM 744 O HIS A 52 11.204 -0.688 1.504 1.00 1.00 O ATOM 745 CB HIS A 52 9.927 0.955 3.462 1.00 1.00 C ATOM 746 CG HIS A 52 9.352 2.267 3.942 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.374 2.635 5.227 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.735 3.289 3.262 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.794 3.840 5.342 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.381 4.290 4.159 1.00 1.00 N ATOM 0 H HIS A 52 11.366 2.576 2.082 1.00 1.00 H new ATOM 0 HA HIS A 52 11.858 0.651 4.293 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.477 0.719 2.498 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.619 0.174 4.157 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.767 2.090 5.994 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.554 3.311 2.198 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.678 4.375 6.273 1.00 1.00 H new ATOM 758 N ASP A 53 13.184 -0.656 2.598 1.00 1.00 N ATOM 759 CA ASP A 53 13.772 -1.713 1.792 1.00 1.00 C ATOM 760 C ASP A 53 14.479 -2.713 2.709 1.00 1.00 C ATOM 761 O ASP A 53 15.644 -3.044 2.491 1.00 1.00 O ATOM 762 CB ASP A 53 14.808 -1.150 0.817 1.00 1.00 C ATOM 763 CG ASP A 53 14.939 -1.916 -0.501 1.00 1.00 C ATOM 764 OD1 ASP A 53 14.016 -1.925 -1.329 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.061 -2.532 -0.664 1.00 1.00 O ATOM 0 H ASP A 53 13.796 -0.281 3.323 1.00 1.00 H new ATOM 0 HA ASP A 53 12.972 -2.194 1.229 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.550 -0.115 0.594 1.00 1.00 H new ATOM 0 HB3 ASP A 53 15.780 -1.137 1.310 1.00 1.00 H new ATOM 771 N ASP A 54 13.746 -3.167 3.714 1.00 1.00 N ATOM 772 CA ASP A 54 14.288 -4.123 4.665 1.00 1.00 C ATOM 773 C ASP A 54 13.138 -4.855 5.359 1.00 1.00 C ATOM 774 O ASP A 54 12.524 -4.320 6.281 1.00 1.00 O ATOM 775 CB ASP A 54 15.119 -3.420 5.740 1.00 1.00 C ATOM 776 CG ASP A 54 16.483 -4.052 6.020 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.446 -3.855 5.263 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.538 -4.785 7.080 1.00 1.00 O ATOM 0 H ASP A 54 12.780 -2.891 3.891 1.00 1.00 H new ATOM 0 HA ASP A 54 14.922 -4.820 4.117 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.271 -2.383 5.440 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.546 -3.403 6.667 1.00 1.00 H new ATOM 784 N LEU A 55 12.880 -6.066 4.889 1.00 1.00 N ATOM 785 CA LEU A 55 11.814 -6.877 5.452 1.00 1.00 C ATOM 786 C LEU A 55 12.413 -7.889 6.431 1.00 1.00 C ATOM 787 O LEU A 55 11.796 -8.911 6.727 1.00 1.00 O ATOM 788 CB LEU A 55 10.981 -7.516 4.340 1.00 1.00 C ATOM 789 CG LEU A 55 9.521 -7.069 4.254 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.008 -7.144 2.814 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.644 -7.870 5.218 1.00 1.00 C ATOM 0 H LEU A 55 13.391 -6.506 4.124 1.00 1.00 H new ATOM 0 HA LEU A 55 11.121 -6.255 6.019 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.462 -7.304 3.385 1.00 1.00 H new ATOM 0 HB3 LEU A 55 11.002 -8.598 4.474 1.00 1.00 H new ATOM 0 HG LEU A 55 9.465 -6.025 4.561 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.968 -6.821 2.781 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.610 -6.494 2.179 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.081 -8.171 2.455 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.611 -7.532 5.136 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.700 -8.929 4.966 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.995 -7.721 6.239 1.00 1.00 H new ATOM 803 N THR A 56 13.607 -7.569 6.907 1.00 1.00 N ATOM 804 CA THR A 56 14.296 -8.438 7.846 1.00 1.00 C ATOM 805 C THR A 56 14.158 -7.898 9.271 1.00 1.00 C ATOM 806 O THR A 56 14.642 -8.512 10.221 1.00 1.00 O ATOM 807 CB THR A 56 15.748 -8.575 7.387 1.00 1.00 C ATOM 808 OG1 THR A 56 15.776 -9.815 6.686 1.00 1.00 O ATOM 809 CG2 THR A 56 16.715 -8.785 8.554 1.00 1.00 C ATOM 0 H THR A 56 14.115 -6.720 6.660 1.00 1.00 H new ATOM 0 HA THR A 56 13.851 -9.433 7.863 1.00 1.00 H new ATOM 0 HB THR A 56 16.038 -7.683 6.832 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.682 -9.982 6.352 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.732 -8.876 8.172 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.657 -7.934 9.232 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.446 -9.695 9.090 1.00 1.00 H new ATOM 817 N ALA A 57 13.494 -6.756 9.376 1.00 1.00 N ATOM 818 CA ALA A 57 13.286 -6.127 10.669 1.00 1.00 C ATOM 819 C ALA A 57 11.956 -6.604 11.255 1.00 1.00 C ATOM 820 O ALA A 57 11.897 -7.016 12.413 1.00 1.00 O ATOM 821 CB ALA A 57 13.342 -4.606 10.512 1.00 1.00 C ATOM 0 H ALA A 57 13.093 -6.250 8.586 1.00 1.00 H new ATOM 0 HA ALA A 57 14.074 -6.412 11.366 1.00 1.00 H new ATOM 0 HB1 ALA A 57 13.186 -4.134 11.482 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.317 -4.316 10.120 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.563 -4.283 9.822 1.00 1.00 H new ATOM 827 N LYS A 58 10.923 -6.534 10.430 1.00 1.00 N ATOM 828 CA LYS A 58 9.597 -6.953 10.852 1.00 1.00 C ATOM 829 C LYS A 58 8.858 -5.759 11.458 1.00 1.00 C ATOM 830 O LYS A 58 7.658 -5.593 11.242 1.00 1.00 O ATOM 831 CB LYS A 58 9.691 -8.159 11.790 1.00 1.00 C ATOM 832 CG LYS A 58 8.504 -9.104 11.588 1.00 1.00 C ATOM 833 CD LYS A 58 8.958 -10.432 10.979 1.00 1.00 C ATOM 834 CE LYS A 58 8.771 -11.582 11.971 1.00 1.00 C ATOM 835 NZ LYS A 58 9.395 -12.820 11.452 1.00 1.00 N ATOM 0 H LYS A 58 10.977 -6.193 9.470 1.00 1.00 H new ATOM 0 HA LYS A 58 9.012 -7.288 9.995 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.622 -8.695 11.607 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.717 -7.818 12.825 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.014 -9.287 12.544 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.767 -8.634 10.937 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.389 -10.634 10.071 1.00 1.00 H new ATOM 0 HD3 LYS A 58 10.007 -10.364 10.689 1.00 1.00 H new ATOM 0 HE2 LYS A 58 9.215 -11.318 12.931 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.708 -11.749 12.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 9.259 -13.591 12.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 8.952 -13.079 10.547 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 10.413 -12.661 11.307 1.00 1.00 H new ATOM 848 N LYS A 59 9.604 -4.958 12.204 1.00 1.00 N ATOM 849 CA LYS A 59 9.033 -3.784 12.843 1.00 1.00 C ATOM 850 C LYS A 59 10.061 -2.650 12.826 1.00 1.00 C ATOM 851 O LYS A 59 11.162 -2.798 13.354 1.00 1.00 O ATOM 852 CB LYS A 59 8.522 -4.130 14.243 1.00 1.00 C ATOM 853 CG LYS A 59 8.644 -2.930 15.184 1.00 1.00 C ATOM 854 CD LYS A 59 7.464 -2.873 16.156 1.00 1.00 C ATOM 855 CE LYS A 59 7.571 -3.975 17.212 1.00 1.00 C ATOM 856 NZ LYS A 59 7.340 -3.420 18.565 1.00 1.00 N ATOM 0 H LYS A 59 10.599 -5.098 12.380 1.00 1.00 H new ATOM 0 HA LYS A 59 8.162 -3.434 12.289 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.481 -4.447 14.186 1.00 1.00 H new ATOM 0 HB3 LYS A 59 9.089 -4.970 14.644 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.577 -2.995 15.743 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.685 -2.009 14.602 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.436 -1.898 16.643 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.529 -2.981 15.606 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.842 -4.758 17.004 1.00 1.00 H new ATOM 0 HE3 LYS A 59 8.557 -4.437 17.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 7.416 -4.181 19.270 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 8.052 -2.689 18.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.390 -3.000 18.610 1.00 1.00 H new ATOM 869 N GLY A 60 9.664 -1.544 12.215 1.00 1.00 N ATOM 870 CA GLY A 60 10.537 -0.386 12.124 1.00 1.00 C ATOM 871 C GLY A 60 10.289 0.386 10.826 1.00 1.00 C ATOM 872 O GLY A 60 9.791 -0.175 9.851 1.00 1.00 O ATOM 0 H GLY A 60 8.750 -1.425 11.778 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.369 0.269 12.979 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.578 -0.706 12.168 1.00 1.00 H new ATOM 876 N GLU A 61 10.649 1.661 10.855 1.00 1.00 N ATOM 877 CA GLU A 61 10.472 2.515 9.693 1.00 1.00 C ATOM 878 C GLU A 61 11.209 1.928 8.486 1.00 1.00 C ATOM 879 O GLU A 61 10.936 2.303 7.346 1.00 1.00 O ATOM 880 CB GLU A 61 10.945 3.941 9.983 1.00 1.00 C ATOM 881 CG GLU A 61 12.234 3.934 10.807 1.00 1.00 C ATOM 882 CD GLU A 61 13.151 5.089 10.401 1.00 1.00 C ATOM 883 OE1 GLU A 61 13.183 5.469 9.221 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.846 5.598 11.361 1.00 1.00 O ATOM 0 H GLU A 61 11.062 2.123 11.665 1.00 1.00 H new ATOM 0 HA GLU A 61 9.408 2.561 9.459 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.112 4.471 9.045 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.168 4.483 10.521 1.00 1.00 H new ATOM 0 HG2 GLU A 61 11.993 4.012 11.867 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.754 2.986 10.668 1.00 1.00 H new ATOM 892 N LYS A 62 12.127 1.019 8.778 1.00 1.00 N ATOM 893 CA LYS A 62 12.904 0.377 7.731 1.00 1.00 C ATOM 894 C LYS A 62 12.266 -0.968 7.380 1.00 1.00 C ATOM 895 O LYS A 62 12.965 -1.918 7.031 1.00 1.00 O ATOM 896 CB LYS A 62 14.374 0.272 8.143 1.00 1.00 C ATOM 897 CG LYS A 62 14.890 1.610 8.677 1.00 1.00 C ATOM 898 CD LYS A 62 16.080 2.107 7.852 1.00 1.00 C ATOM 899 CE LYS A 62 17.380 2.012 8.654 1.00 1.00 C ATOM 900 NZ LYS A 62 18.283 3.133 8.311 1.00 1.00 N ATOM 0 H LYS A 62 12.350 0.712 9.725 1.00 1.00 H new ATOM 0 HA LYS A 62 12.893 0.981 6.824 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.487 -0.497 8.907 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.974 -0.038 7.288 1.00 1.00 H new ATOM 0 HG2 LYS A 62 14.090 2.350 8.650 1.00 1.00 H new ATOM 0 HG3 LYS A 62 15.187 1.499 9.720 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.167 1.516 6.940 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.911 3.140 7.548 1.00 1.00 H new ATOM 0 HE2 LYS A 62 17.158 2.029 9.721 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.874 1.063 8.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 19.160 3.054 8.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 18.509 3.099 7.296 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.815 4.035 8.531 1.00 1.00 H new ATOM 913 N SER A 63 10.946 -1.007 7.485 1.00 1.00 N ATOM 914 CA SER A 63 10.206 -2.220 7.184 1.00 1.00 C ATOM 915 C SER A 63 9.042 -1.903 6.242 1.00 1.00 C ATOM 916 O SER A 63 8.382 -0.876 6.390 1.00 1.00 O ATOM 917 CB SER A 63 9.689 -2.882 8.462 1.00 1.00 C ATOM 918 OG SER A 63 9.488 -4.283 8.295 1.00 1.00 O ATOM 0 H SER A 63 10.370 -0.217 7.775 1.00 1.00 H new ATOM 0 HA SER A 63 10.882 -2.920 6.693 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.399 -2.712 9.271 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.750 -2.414 8.758 1.00 1.00 H new ATOM 0 HG SER A 63 8.879 -4.611 8.989 1.00 1.00 H new ATOM 924 N LEU A 64 8.827 -2.804 5.295 1.00 1.00 N ATOM 925 CA LEU A 64 7.755 -2.633 4.330 1.00 1.00 C ATOM 926 C LEU A 64 6.590 -3.555 4.699 1.00 1.00 C ATOM 927 O LEU A 64 5.942 -4.161 3.849 1.00 1.00 O ATOM 928 CB LEU A 64 8.276 -2.842 2.907 1.00 1.00 C ATOM 929 CG LEU A 64 7.279 -2.566 1.779 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.856 -1.096 1.769 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.843 -3.010 0.428 1.00 1.00 C ATOM 0 H LEU A 64 9.377 -3.655 5.176 1.00 1.00 H new ATOM 0 HA LEU A 64 7.376 -1.611 4.360 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.145 -2.200 2.762 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.621 -3.872 2.816 1.00 1.00 H new ATOM 0 HG LEU A 64 6.382 -3.158 1.963 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.148 -0.927 0.958 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.385 -0.846 2.720 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.733 -0.466 1.622 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.115 -2.803 -0.356 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.764 -2.465 0.221 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.053 -4.079 0.455 1.00 1.00 H new ATOM 943 N TYR A 65 6.336 -3.646 6.006 1.00 1.00 N ATOM 944 CA TYR A 65 5.267 -4.479 6.519 1.00 1.00 C ATOM 945 C TYR A 65 4.426 -3.687 7.510 1.00 1.00 C ATOM 946 O TYR A 65 3.215 -3.882 7.597 1.00 1.00 O ATOM 947 CB TYR A 65 5.862 -5.717 7.183 1.00 1.00 C ATOM 948 CG TYR A 65 4.983 -6.305 8.261 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.994 -7.237 7.926 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.158 -5.918 9.595 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.178 -7.781 8.925 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.342 -6.462 10.594 1.00 1.00 C ATOM 953 CZ TYR A 65 3.352 -7.394 10.259 1.00 1.00 C ATOM 954 OH TYR A 65 2.558 -7.924 11.233 1.00 1.00 O ATOM 0 H TYR A 65 6.863 -3.148 6.724 1.00 1.00 H new ATOM 0 HA TYR A 65 4.623 -4.797 5.699 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.045 -6.475 6.421 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.829 -5.458 7.615 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.860 -7.536 6.897 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.922 -5.200 9.853 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.414 -8.499 8.666 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.476 -6.163 11.623 1.00 1.00 H new ATOM 0 HH TYR A 65 2.812 -7.549 12.102 1.00 1.00 H new ATOM 964 N TYR A 66 5.071 -2.790 8.259 1.00 1.00 N ATOM 965 CA TYR A 66 4.381 -1.977 9.239 1.00 1.00 C ATOM 966 C TYR A 66 3.833 -0.721 8.575 1.00 1.00 C ATOM 967 O TYR A 66 3.153 0.056 9.242 1.00 1.00 O ATOM 968 CB TYR A 66 5.343 -1.616 10.367 1.00 1.00 C ATOM 969 CG TYR A 66 4.735 -0.711 11.412 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.914 -1.247 12.411 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.993 0.665 11.381 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.351 -0.408 13.379 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.429 1.504 12.350 1.00 1.00 C ATOM 974 CZ TYR A 66 3.609 0.968 13.349 1.00 1.00 C ATOM 975 OH TYR A 66 3.060 1.785 14.293 1.00 1.00 O ATOM 0 H TYR A 66 6.074 -2.615 8.198 1.00 1.00 H new ATOM 0 HA TYR A 66 3.545 -2.537 9.657 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.687 -2.532 10.847 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.221 -1.129 9.943 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.715 -2.308 12.435 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.626 1.079 10.610 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.717 -0.822 14.149 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.627 2.565 12.326 1.00 1.00 H new ATOM 0 HH TYR A 66 3.340 2.710 14.128 1.00 1.00 H new ATOM 985 N VAL A 67 4.134 -0.548 7.296 1.00 1.00 N ATOM 986 CA VAL A 67 3.661 0.617 6.568 1.00 1.00 C ATOM 987 C VAL A 67 2.745 0.164 5.429 1.00 1.00 C ATOM 988 O VAL A 67 2.270 0.985 4.646 1.00 1.00 O ATOM 989 CB VAL A 67 4.850 1.449 6.083 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.806 1.764 7.236 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.583 0.744 4.940 1.00 1.00 C ATOM 0 H VAL A 67 4.699 -1.195 6.746 1.00 1.00 H new ATOM 0 HA VAL A 67 3.074 1.263 7.221 1.00 1.00 H new ATOM 0 HB VAL A 67 4.464 2.394 5.701 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.642 2.356 6.864 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.276 2.327 8.004 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.181 0.834 7.662 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.424 1.357 4.614 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.951 -0.222 5.285 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.898 0.595 4.106 1.00 1.00 H new ATOM 1001 N VAL A 68 2.525 -1.141 5.373 1.00 1.00 N ATOM 1002 CA VAL A 68 1.674 -1.713 4.343 1.00 1.00 C ATOM 1003 C VAL A 68 0.303 -2.035 4.941 1.00 1.00 C ATOM 1004 O VAL A 68 -0.730 -1.714 4.358 1.00 1.00 O ATOM 1005 CB VAL A 68 2.356 -2.932 3.718 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.321 -3.919 3.174 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.339 -2.510 2.625 1.00 1.00 C ATOM 0 H VAL A 68 2.921 -1.819 6.024 1.00 1.00 H new ATOM 0 HA VAL A 68 1.516 -0.997 3.536 1.00 1.00 H new ATOM 0 HB VAL A 68 2.923 -3.437 4.500 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.831 -4.776 2.735 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.678 -4.257 3.987 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.715 -3.428 2.412 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.810 -3.395 2.197 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.804 -1.970 1.843 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.104 -1.863 3.054 1.00 1.00 H new ATOM 1017 N HIS A 69 0.335 -2.674 6.111 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.871 -3.065 6.833 1.00 1.00 C ATOM 1019 C HIS A 69 -1.218 -1.994 7.883 1.00 1.00 C ATOM 1020 O HIS A 69 -2.091 -1.159 7.649 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.670 -4.474 7.410 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.184 -5.538 6.452 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.112 -5.752 6.212 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.871 -6.444 5.680 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.230 -6.752 5.324 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.034 -7.216 4.963 1.00 1.00 N ATOM 0 H HIS A 69 1.201 -2.934 6.584 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.734 -3.120 6.169 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.042 -4.406 8.233 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.617 -4.806 7.835 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.886 -5.239 6.634 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.946 -6.541 5.638 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.170 -7.131 4.951 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.521 -2.056 9.008 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.748 -1.104 10.083 1.00 1.00 C ATOM 1036 C ALA A 70 -2.030 -0.318 9.800 1.00 1.00 C ATOM 1037 O ALA A 70 -1.994 0.715 9.134 1.00 1.00 O ATOM 1038 CB ALA A 70 0.474 -0.194 10.226 1.00 1.00 C ATOM 0 H ALA A 70 0.201 -2.751 9.199 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.882 -1.622 11.033 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.304 0.520 11.032 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.352 -0.798 10.455 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.638 0.345 9.293 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.132 -0.839 10.320 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.422 -0.199 10.132 1.00 1.00 C ATOM 1046 C ARG A 71 -4.714 0.759 11.288 1.00 1.00 C ATOM 1047 O ARG A 71 -5.867 1.111 11.533 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.544 -1.236 10.043 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.880 -1.799 11.425 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.847 -2.842 11.858 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.509 -3.921 12.624 1.00 1.00 N ATOM 1052 CZ ARG A 71 -5.039 -5.184 12.713 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.899 -5.536 12.082 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.711 -6.068 13.425 1.00 1.00 N ATOM 0 H ARG A 71 -3.158 -1.697 10.871 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.382 0.358 9.196 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.432 -0.780 9.606 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.243 -2.047 9.379 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.912 -0.989 12.154 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.872 -2.250 11.406 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.350 -3.259 10.982 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.076 -2.371 12.468 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.374 -3.697 13.115 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.386 -4.846 11.533 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.550 -6.492 12.154 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.572 -5.793 13.898 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.370 -7.026 13.502 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.648 1.155 11.970 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.775 2.065 13.095 1.00 1.00 C ATOM 1066 C GLY A 72 -3.452 3.501 12.678 1.00 1.00 C ATOM 1067 O GLY A 72 -3.430 3.816 11.489 1.00 1.00 O ATOM 0 H GLY A 72 -2.693 0.862 11.764 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.789 2.017 13.493 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.103 1.755 13.896 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.210 4.334 13.679 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.889 5.729 13.431 1.00 1.00 C ATOM 1073 C GLU A 73 -1.396 5.886 13.135 1.00 1.00 C ATOM 1074 O GLU A 73 -0.580 5.938 14.054 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.310 6.607 14.611 1.00 1.00 C ATOM 1076 CG GLU A 73 -3.449 8.070 14.185 1.00 1.00 C ATOM 1077 CD GLU A 73 -3.261 9.009 15.378 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.185 9.172 16.190 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -2.107 9.580 15.447 1.00 1.00 O ATOM 0 H GLU A 73 -3.230 4.070 14.664 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.449 6.060 12.557 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -4.258 6.250 15.014 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.573 6.526 15.410 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -2.711 8.300 13.417 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.432 8.232 13.742 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.085 5.958 11.849 1.00 1.00 N ATOM 1088 CA LEU A 74 0.295 6.108 11.421 1.00 1.00 C ATOM 1089 C LEU A 74 0.526 7.546 10.951 1.00 1.00 C ATOM 1090 O LEU A 74 -0.418 8.329 10.852 1.00 1.00 O ATOM 1091 CB LEU A 74 0.648 5.054 10.370 1.00 1.00 C ATOM 1092 CG LEU A 74 0.448 3.596 10.789 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.586 2.657 9.589 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.399 3.217 11.926 1.00 1.00 C ATOM 0 H LEU A 74 -1.765 5.915 11.090 1.00 1.00 H new ATOM 0 HA LEU A 74 0.973 5.932 12.256 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.047 5.241 9.480 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.691 5.189 10.084 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.568 3.486 11.169 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.439 1.627 9.914 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.164 2.911 8.840 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.581 2.763 9.157 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.236 2.176 12.205 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.430 3.348 11.597 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.209 3.857 12.788 1.00 1.00 H new ATOM 1106 N LYS A 75 1.785 7.850 10.674 1.00 1.00 N ATOM 1107 CA LYS A 75 2.151 9.179 10.217 1.00 1.00 C ATOM 1108 C LYS A 75 1.260 9.571 9.036 1.00 1.00 C ATOM 1109 O LYS A 75 0.665 10.648 9.033 1.00 1.00 O ATOM 1110 CB LYS A 75 3.648 9.246 9.907 1.00 1.00 C ATOM 1111 CG LYS A 75 4.123 10.697 9.809 1.00 1.00 C ATOM 1112 CD LYS A 75 4.674 11.186 11.150 1.00 1.00 C ATOM 1113 CE LYS A 75 4.593 12.710 11.253 1.00 1.00 C ATOM 1114 NZ LYS A 75 3.589 13.109 12.265 1.00 1.00 N ATOM 0 H LYS A 75 2.565 7.198 10.757 1.00 1.00 H new ATOM 0 HA LYS A 75 1.979 9.913 11.004 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.208 8.728 10.686 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.852 8.729 8.970 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.894 10.780 9.043 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.295 11.334 9.498 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.111 10.732 11.966 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.710 10.865 11.260 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.569 13.115 11.521 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.328 13.132 10.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 3.547 14.147 12.322 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 2.656 12.739 11.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 3.858 12.722 13.192 1.00 1.00 H new ATOM 1127 N HIS A 76 1.197 8.676 8.061 1.00 1.00 N ATOM 1128 CA HIS A 76 0.389 8.915 6.878 1.00 1.00 C ATOM 1129 C HIS A 76 -0.862 8.034 6.924 1.00 1.00 C ATOM 1130 O HIS A 76 -1.470 7.869 7.980 1.00 1.00 O ATOM 1131 CB HIS A 76 1.213 8.707 5.606 1.00 1.00 C ATOM 1132 CG HIS A 76 0.723 9.502 4.419 1.00 1.00 C ATOM 1133 ND1 HIS A 76 0.530 10.872 4.463 1.00 1.00 N ATOM 1134 CD2 HIS A 76 0.391 9.107 3.157 1.00 1.00 C ATOM 1135 CE1 HIS A 76 0.100 11.272 3.276 1.00 1.00 C ATOM 1136 NE2 HIS A 76 0.013 10.177 2.468 1.00 1.00 N ATOM 0 H HIS A 76 1.692 7.784 8.066 1.00 1.00 H new ATOM 0 HA HIS A 76 0.060 9.954 6.863 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.249 8.978 5.809 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.205 7.648 5.349 1.00 1.00 H new ATOM 0 HD2 HIS A 76 0.429 8.095 2.781 1.00 1.00 H new ATOM 0 HE1 HIS A 76 -0.140 12.287 2.997 1.00 1.00 H new ATOM 0 HE2 HIS A 76 -0.292 10.180 1.495 1.00 1.00 H new ATOM 1144 N THR A 77 -1.208 7.492 5.765 1.00 1.00 N ATOM 1145 CA THR A 77 -2.375 6.633 5.660 1.00 1.00 C ATOM 1146 C THR A 77 -1.998 5.299 5.011 1.00 1.00 C ATOM 1147 O THR A 77 -1.803 5.228 3.799 1.00 1.00 O ATOM 1148 CB THR A 77 -3.457 7.397 4.895 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.484 8.678 5.518 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.858 6.833 5.142 1.00 1.00 C ATOM 0 H THR A 77 -0.701 7.631 4.891 1.00 1.00 H new ATOM 0 HA THR A 77 -2.770 6.380 6.644 1.00 1.00 H new ATOM 0 HB THR A 77 -3.237 7.367 3.828 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.159 9.240 5.082 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.588 7.411 4.576 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.893 5.792 4.822 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.092 6.894 6.205 1.00 1.00 H new ATOM 1158 N SER A 78 -1.908 4.276 5.848 1.00 1.00 N ATOM 1159 CA SER A 78 -1.559 2.948 5.371 1.00 1.00 C ATOM 1160 C SER A 78 -2.664 2.412 4.459 1.00 1.00 C ATOM 1161 O SER A 78 -3.764 2.962 4.421 1.00 1.00 O ATOM 1162 CB SER A 78 -1.321 1.989 6.538 1.00 1.00 C ATOM 1163 OG SER A 78 -1.497 2.628 7.799 1.00 1.00 O ATOM 0 H SER A 78 -2.071 4.340 6.853 1.00 1.00 H new ATOM 0 HA SER A 78 -0.632 3.021 4.802 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.007 1.146 6.460 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.311 1.585 6.475 1.00 1.00 H new ATOM 0 HG SER A 78 -1.956 2.018 8.413 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.335 1.344 3.748 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.286 0.727 2.840 1.00 1.00 C ATOM 1171 C CYS A 79 -4.485 0.241 3.657 1.00 1.00 C ATOM 1172 O CYS A 79 -5.591 0.758 3.509 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.647 -0.407 2.035 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.005 -0.015 1.328 1.00 1.00 S ATOM 0 H CYS A 79 -1.422 0.890 3.782 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.620 1.461 2.107 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.551 -1.281 2.679 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.320 -0.682 1.223 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.074 -0.459 2.120 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.224 -0.746 4.501 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.268 -1.307 5.342 1.00 1.00 C ATOM 1181 C LEU A 80 -6.028 -0.171 6.031 1.00 1.00 C ATOM 1182 O LEU A 80 -7.166 -0.351 6.459 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.681 -2.332 6.313 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.780 -3.797 5.884 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.164 -4.368 6.201 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.417 -3.962 4.407 1.00 1.00 C ATOM 0 H LEU A 80 -3.305 -1.172 4.621 1.00 1.00 H new ATOM 0 HA LEU A 80 -5.991 -1.854 4.737 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.630 -2.091 6.472 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.183 -2.221 7.274 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.054 -4.371 6.460 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.208 -5.411 5.886 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.347 -4.305 7.274 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.924 -3.796 5.669 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.496 -5.013 4.128 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.101 -3.372 3.796 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.396 -3.618 4.243 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.366 0.974 6.116 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.964 2.138 6.746 1.00 1.00 C ATOM 1200 C ALA A 81 -7.160 2.605 5.913 1.00 1.00 C ATOM 1201 O ALA A 81 -8.307 2.464 6.335 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.905 3.231 6.909 1.00 1.00 C ATOM 0 H ALA A 81 -4.422 1.120 5.759 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.332 1.889 7.741 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.354 4.105 7.382 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.091 2.859 7.532 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.515 3.509 5.930 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.852 3.151 4.747 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.887 3.639 3.851 1.00 1.00 C ATOM 1210 C CYS A 82 -8.940 2.541 3.691 1.00 1.00 C ATOM 1211 O CYS A 82 -10.104 2.728 4.036 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.309 4.078 2.504 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.647 4.700 1.422 1.00 1.00 S ATOM 0 H CYS A 82 -5.900 3.267 4.401 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.352 4.527 4.278 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.561 4.857 2.656 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.803 3.240 2.025 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.145 5.072 0.282 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.491 1.403 3.160 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.347 0.245 2.930 1.00 1.00 C ATOM 1220 C HIS A 83 -10.332 0.085 4.102 1.00 1.00 C ATOM 1221 O HIS A 83 -11.445 -0.403 3.912 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.462 -0.985 2.677 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.885 -1.133 1.288 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.555 -2.320 0.768 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.591 -0.199 0.324 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.074 -2.132 -0.471 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.074 -0.840 -0.795 1.00 1.00 N ATOM 0 H HIS A 83 -7.521 1.261 2.878 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.964 0.375 2.041 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.636 -0.962 3.388 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.048 -1.877 2.899 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.653 -3.221 1.236 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.739 0.866 0.421 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.732 -2.924 -1.120 1.00 1.00 H new ATOM 1235 N SER A 84 -9.888 0.505 5.277 1.00 1.00 N ATOM 1236 CA SER A 84 -10.717 0.414 6.467 1.00 1.00 C ATOM 1237 C SER A 84 -11.995 1.233 6.278 1.00 1.00 C ATOM 1238 O SER A 84 -13.094 0.744 6.535 1.00 1.00 O ATOM 1239 CB SER A 84 -9.958 0.892 7.706 1.00 1.00 C ATOM 1240 OG SER A 84 -10.503 0.354 8.907 1.00 1.00 O ATOM 0 H SER A 84 -8.964 0.909 5.431 1.00 1.00 H new ATOM 0 HA SER A 84 -10.983 -0.632 6.619 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.910 0.604 7.623 1.00 1.00 H new ATOM 0 HB3 SER A 84 -9.987 1.981 7.751 1.00 1.00 H new ATOM 0 HG SER A 84 -9.990 0.682 9.675 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.808 2.467 5.832 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.932 3.359 5.606 1.00 1.00 C ATOM 1248 C LYS A 85 -13.767 2.835 4.436 1.00 1.00 C ATOM 1249 O LYS A 85 -14.992 2.950 4.441 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.446 4.797 5.418 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.625 5.760 5.261 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.562 6.878 6.303 1.00 1.00 C ATOM 1253 CE LYS A 85 -14.953 7.182 6.864 1.00 1.00 C ATOM 1254 NZ LYS A 85 -14.853 8.074 8.042 1.00 1.00 N ATOM 0 H LYS A 85 -10.895 2.870 5.621 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.583 3.379 6.480 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.841 5.095 6.274 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -11.805 4.856 4.539 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.617 6.190 4.260 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.562 5.213 5.365 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.894 6.587 7.114 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.143 7.778 5.852 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.567 7.652 6.096 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -15.449 6.253 7.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -15.805 8.270 8.411 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -14.285 7.612 8.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.399 8.967 7.764 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.071 2.270 3.460 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.733 1.727 2.286 1.00 1.00 C ATOM 1269 C VAL A 86 -14.746 0.666 2.721 1.00 1.00 C ATOM 1270 O VAL A 86 -15.894 0.682 2.280 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.693 1.192 1.299 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.366 0.474 0.129 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.781 2.315 0.802 1.00 1.00 C ATOM 0 H VAL A 86 -12.055 2.177 3.458 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.285 2.508 1.764 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.074 0.466 1.826 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.604 0.104 -0.557 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.953 -0.364 0.505 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.021 1.169 -0.396 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.051 1.908 0.102 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.380 3.075 0.301 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.261 2.763 1.649 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.284 -0.230 3.580 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.135 -1.296 4.080 1.00 1.00 C ATOM 1285 C VAL A 87 -16.396 -0.689 4.697 1.00 1.00 C ATOM 1286 O VAL A 87 -17.406 -1.374 4.855 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.353 -2.175 5.059 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.298 -2.898 6.021 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.463 -3.170 4.312 1.00 1.00 C ATOM 0 H VAL A 87 -13.331 -0.240 3.943 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.453 -1.945 3.264 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.706 -1.526 5.650 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.717 -3.516 6.706 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.869 -2.164 6.590 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.982 -3.530 5.454 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.918 -3.782 5.031 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -14.082 -3.811 3.684 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.754 -2.626 3.688 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.297 0.590 5.030 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.418 1.296 5.626 1.00 1.00 C ATOM 1301 C ALA A 88 -18.384 1.735 4.524 1.00 1.00 C ATOM 1302 O ALA A 88 -19.359 2.435 4.791 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.897 2.477 6.449 1.00 1.00 C ATOM 0 H ALA A 88 -15.458 1.155 4.898 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.967 0.642 6.304 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.737 3.007 6.897 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.239 2.110 7.236 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.343 3.156 5.801 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.987 -8.595 0.519 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.390 -8.316 -0.776 1.00 1.00 C ATOM 1439 C ASP A 96 -10.347 -7.207 -0.624 1.00 1.00 C ATOM 1440 O ASP A 96 -9.369 -7.165 -1.369 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.444 -7.840 -1.777 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.318 -8.435 -3.181 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.066 -9.638 -3.345 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.493 -7.597 -4.146 1.00 1.00 O ATOM 0 HA ASP A 96 -10.934 -9.236 -1.142 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.432 -8.081 -1.384 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.387 -6.754 -1.853 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.592 -6.338 0.345 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.686 -5.231 0.603 1.00 1.00 C ATOM 1452 C LEU A 97 -8.982 -5.457 1.943 1.00 1.00 C ATOM 1453 O LEU A 97 -7.881 -4.954 2.162 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.430 -3.898 0.517 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.360 -3.725 -0.686 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.842 -2.278 -0.803 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.689 -4.212 -1.972 1.00 1.00 C ATOM 0 H LEU A 97 -11.404 -6.377 0.961 1.00 1.00 H new ATOM 0 HA LEU A 97 -8.911 -5.186 -0.162 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.018 -3.773 1.426 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.694 -3.094 0.501 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.242 -4.346 -0.528 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.501 -2.183 -1.666 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.385 -2.001 0.101 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.984 -1.618 -0.927 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.371 -4.078 -2.812 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.780 -3.637 -2.148 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.438 -5.268 -1.874 1.00 1.00 H new ATOM 1469 N THR A 98 -9.646 -6.214 2.804 1.00 1.00 N ATOM 1470 CA THR A 98 -9.097 -6.513 4.116 1.00 1.00 C ATOM 1471 C THR A 98 -9.121 -8.021 4.373 1.00 1.00 C ATOM 1472 O THR A 98 -9.711 -8.478 5.351 1.00 1.00 O ATOM 1473 CB THR A 98 -9.884 -5.707 5.152 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.046 -6.496 5.396 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.435 -4.399 4.581 1.00 1.00 C ATOM 0 H THR A 98 -10.559 -6.629 2.619 1.00 1.00 H new ATOM 0 HA THR A 98 -8.049 -6.221 4.183 1.00 1.00 H new ATOM 0 HB THR A 98 -9.242 -5.488 6.005 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.797 -7.296 5.904 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.985 -3.866 5.357 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.610 -3.779 4.230 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.104 -4.618 3.749 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.471 -8.751 3.479 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.410 -10.198 3.598 1.00 1.00 C ATOM 1485 C GLY A 99 -6.960 -10.684 3.642 1.00 1.00 C ATOM 1486 O GLY A 99 -6.154 -10.323 2.786 1.00 1.00 O ATOM 0 H GLY A 99 -7.982 -8.368 2.670 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -8.931 -10.514 4.502 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -8.926 -10.658 2.755 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.671 -11.495 4.650 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.332 -12.034 4.817 1.00 1.00 C ATOM 1492 C CYS A 100 -5.080 -13.050 3.701 1.00 1.00 C ATOM 1493 O CYS A 100 -3.943 -13.237 3.273 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.140 -12.650 6.204 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.402 -11.495 7.600 1.00 1.00 S ATOM 0 H CYS A 100 -7.342 -11.792 5.359 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.601 -11.229 4.745 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.827 -13.489 6.312 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.130 -13.054 6.270 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.216 -12.123 8.723 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.161 -13.679 3.262 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.071 -14.671 2.205 1.00 1.00 C ATOM 1502 C ALA A 101 -7.332 -14.605 1.341 1.00 1.00 C ATOM 1503 O ALA A 101 -8.278 -13.891 1.671 1.00 1.00 O ATOM 1504 CB ALA A 101 -5.858 -16.056 2.820 1.00 1.00 C ATOM 0 H ALA A 101 -7.103 -13.520 3.619 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.217 -14.466 1.559 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.791 -16.800 2.026 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -4.935 -16.059 3.399 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.697 -16.297 3.473 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.305 -15.358 0.251 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.434 -15.394 -0.662 1.00 1.00 C ATOM 1512 C LYS A 102 -8.927 -13.967 -0.913 1.00 1.00 C ATOM 1513 O LYS A 102 -10.122 -13.694 -0.816 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.519 -16.336 -0.137 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.729 -17.515 -1.090 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.012 -18.275 -0.747 1.00 1.00 C ATOM 1517 CE LYS A 102 -10.819 -19.782 -0.921 1.00 1.00 C ATOM 1518 NZ LYS A 102 -10.459 -20.411 0.370 1.00 1.00 N ATOM 0 H LYS A 102 -6.518 -15.948 -0.020 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.131 -15.802 -1.626 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.238 -16.706 0.849 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.454 -15.789 -0.018 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.780 -17.153 -2.117 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.875 -18.190 -1.032 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -11.304 -18.058 0.281 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.824 -17.932 -1.388 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -11.735 -20.230 -1.308 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -10.036 -19.972 -1.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -10.332 -21.434 0.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -9.573 -19.996 0.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.219 -20.245 1.061 1.00 1.00 H new ATOM 1531 N SER A 103 -7.981 -13.095 -1.229 1.00 1.00 N ATOM 1532 CA SER A 103 -8.304 -11.704 -1.494 1.00 1.00 C ATOM 1533 C SER A 103 -7.575 -11.227 -2.751 1.00 1.00 C ATOM 1534 O SER A 103 -6.966 -12.026 -3.461 1.00 1.00 O ATOM 1535 CB SER A 103 -7.941 -10.817 -0.301 1.00 1.00 C ATOM 1536 OG SER A 103 -9.057 -10.590 0.555 1.00 1.00 O ATOM 0 H SER A 103 -6.990 -13.325 -1.307 1.00 1.00 H new ATOM 0 HA SER A 103 -9.379 -11.628 -1.655 1.00 1.00 H new ATOM 0 HB2 SER A 103 -7.137 -11.285 0.268 1.00 1.00 H new ATOM 0 HB3 SER A 103 -7.561 -9.861 -0.662 1.00 1.00 H new ATOM 0 HG SER A 103 -9.051 -9.659 0.861 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.661 -9.926 -2.989 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.016 -9.334 -4.149 1.00 1.00 C ATOM 1544 C LYS A 104 -5.573 -8.969 -3.794 1.00 1.00 C ATOM 1545 O LYS A 104 -4.845 -8.426 -4.623 1.00 1.00 O ATOM 1546 CB LYS A 104 -7.837 -8.154 -4.674 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.335 -8.459 -4.615 1.00 1.00 C ATOM 1548 CD LYS A 104 -9.742 -9.424 -5.731 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.241 -8.661 -6.960 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.491 -9.265 -7.473 1.00 1.00 N ATOM 0 H LYS A 104 -8.167 -9.266 -2.399 1.00 1.00 H new ATOM 0 HA LYS A 104 -6.972 -10.052 -4.968 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.620 -7.264 -4.083 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.547 -7.933 -5.701 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.584 -8.892 -3.646 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -9.902 -7.533 -4.705 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -8.891 -10.047 -6.006 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.524 -10.093 -5.371 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.414 -7.616 -6.701 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -9.478 -8.674 -7.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -11.816 -8.735 -8.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.315 -10.255 -7.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -12.222 -9.230 -6.734 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.203 -9.283 -2.561 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.860 -8.995 -2.087 1.00 1.00 C ATOM 1565 C CYS A 105 -3.147 -10.324 -1.828 1.00 1.00 C ATOM 1566 O CYS A 105 -2.033 -10.543 -2.297 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.879 -8.105 -0.842 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.416 -6.392 -1.291 1.00 1.00 S ATOM 0 H CYS A 105 -5.810 -9.734 -1.876 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.315 -8.434 -2.846 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.872 -8.116 -0.392 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.186 -8.494 -0.096 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.437 -5.644 -0.228 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.825 -11.189 -1.073 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.307 -12.506 -0.719 1.00 1.00 C ATOM 1575 C HIS A 106 -4.239 -13.599 -1.276 1.00 1.00 C ATOM 1576 O HIS A 106 -5.108 -14.123 -0.582 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.100 -12.567 0.801 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.040 -11.658 1.379 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.757 -11.722 1.011 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.119 -10.656 2.317 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.064 -10.797 1.692 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.856 -10.110 2.513 1.00 1.00 N ATOM 0 H HIS A 106 -4.750 -10.994 -0.690 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.333 -12.687 -1.174 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.049 -12.333 1.283 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.851 -13.594 1.070 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.021 -10.342 2.822 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.998 -10.631 1.588 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.594 -9.353 3.144 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.033 -13.929 -2.553 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.793 -14.931 -3.269 1.00 1.00 C ATOM 1592 C PRO A 107 -4.613 -16.285 -2.598 1.00 1.00 C ATOM 1593 O PRO A 107 -5.553 -16.821 -2.016 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.204 -14.936 -4.678 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.466 -13.643 -4.825 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.021 -13.333 -3.398 1.00 1.00 C ATOM 0 HA PRO A 107 -5.863 -14.722 -3.283 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -3.534 -15.785 -4.817 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -4.990 -15.024 -5.428 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.616 -13.739 -5.500 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.106 -12.857 -5.227 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.037 -13.753 -3.191 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -2.950 -12.258 -3.231 1.00 1.00 H new