USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 539 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 NoAdj-H: A 38 HIS HE2 : A 38 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HE2 : A 72 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 41 THR OG1 : rot 140:sc= 0.134 USER MOD Set 1.2: A 49 SER OG : rot -150:sc= 0.146 USER MOD Set 2.1: A 18 HIS : no HE2:sc= -10.5! C(o=-9.6!,f=-17!) USER MOD Set 2.2: A 32 SER OG : rot -79:sc= 0.95 USER MOD Set 3.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0754 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.179 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.059 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 28 THR OG1 : rot -32:sc= 0.221 USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0228) USER MOD Single : A 33 SER OG : rot 180:sc= -0.06 USER MOD Single : A 34 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-2.2!) USER MOD Single : A 36 LYS NZ :NH3+ -153:sc= -0.129 (180deg=-0.701) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0332) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -58:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.820 -21.068 -25.648 1.00 0.00 N ATOM 2 CA GLY A 1 24.349 -21.082 -24.275 1.00 0.00 C ATOM 3 C GLY A 1 23.345 -19.981 -23.996 1.00 0.00 C ATOM 4 O GLY A 1 23.242 -19.018 -24.756 1.00 0.00 O ATOM 0 H1 GLY A 1 24.512 -21.937 -26.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.428 -20.241 -26.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.859 -21.016 -25.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.893 -22.048 -24.060 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.199 -20.974 -23.601 1.00 0.00 H new ATOM 8 N SER A 2 22.604 -20.122 -22.902 1.00 0.00 N ATOM 9 CA SER A 2 21.600 -19.134 -22.526 1.00 0.00 C ATOM 10 C SER A 2 21.383 -19.125 -21.016 1.00 0.00 C ATOM 11 O SER A 2 21.629 -20.123 -20.337 1.00 0.00 O ATOM 12 CB SER A 2 20.277 -19.423 -23.241 1.00 0.00 C ATOM 13 OG SER A 2 19.458 -18.267 -23.283 1.00 0.00 O ATOM 0 H SER A 2 22.680 -20.911 -22.260 1.00 0.00 H new ATOM 0 HA SER A 2 21.963 -18.152 -22.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.476 -19.769 -24.255 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.750 -20.227 -22.727 1.00 0.00 H new ATOM 0 HG SER A 2 18.620 -18.476 -23.746 1.00 0.00 H new ATOM 19 N SER A 3 20.923 -17.991 -20.498 1.00 0.00 N ATOM 20 CA SER A 3 20.677 -17.851 -19.067 1.00 0.00 C ATOM 21 C SER A 3 19.633 -16.771 -18.799 1.00 0.00 C ATOM 22 O SER A 3 19.281 -15.996 -19.688 1.00 0.00 O ATOM 23 CB SER A 3 21.977 -17.512 -18.336 1.00 0.00 C ATOM 24 OG SER A 3 22.971 -18.491 -18.583 1.00 0.00 O ATOM 0 H SER A 3 20.713 -17.157 -21.046 1.00 0.00 H new ATOM 0 HA SER A 3 20.296 -18.801 -18.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.336 -16.535 -18.660 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.788 -17.443 -17.265 1.00 0.00 H new ATOM 0 HG SER A 3 23.793 -18.251 -18.106 1.00 0.00 H new ATOM 30 N GLY A 4 19.140 -16.725 -17.565 1.00 0.00 N ATOM 31 CA GLY A 4 18.141 -15.738 -17.201 1.00 0.00 C ATOM 32 C GLY A 4 18.088 -15.491 -15.706 1.00 0.00 C ATOM 33 O GLY A 4 18.636 -16.266 -14.922 1.00 0.00 O ATOM 0 H GLY A 4 19.415 -17.354 -16.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.357 -14.801 -17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.162 -16.072 -17.546 1.00 0.00 H new ATOM 37 N SER A 5 17.427 -14.407 -15.310 1.00 0.00 N ATOM 38 CA SER A 5 17.309 -14.058 -13.899 1.00 0.00 C ATOM 39 C SER A 5 16.230 -13.000 -13.691 1.00 0.00 C ATOM 40 O SER A 5 15.762 -12.378 -14.644 1.00 0.00 O ATOM 41 CB SER A 5 18.648 -13.548 -13.365 1.00 0.00 C ATOM 42 OG SER A 5 18.882 -12.209 -13.767 1.00 0.00 O ATOM 0 H SER A 5 16.966 -13.756 -15.946 1.00 0.00 H new ATOM 0 HA SER A 5 17.025 -14.956 -13.350 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.657 -13.611 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.454 -14.186 -13.728 1.00 0.00 H new ATOM 0 HG SER A 5 19.744 -11.906 -13.411 1.00 0.00 H new ATOM 48 N SER A 6 15.838 -12.803 -12.435 1.00 0.00 N ATOM 49 CA SER A 6 14.811 -11.824 -12.100 1.00 0.00 C ATOM 50 C SER A 6 15.072 -11.211 -10.728 1.00 0.00 C ATOM 51 O SER A 6 15.809 -11.768 -9.916 1.00 0.00 O ATOM 52 CB SER A 6 13.427 -12.476 -12.125 1.00 0.00 C ATOM 53 OG SER A 6 12.402 -11.498 -12.124 1.00 0.00 O ATOM 0 H SER A 6 16.216 -13.308 -11.634 1.00 0.00 H new ATOM 0 HA SER A 6 14.844 -11.030 -12.846 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.334 -13.104 -13.011 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.313 -13.128 -11.259 1.00 0.00 H new ATOM 0 HG SER A 6 11.528 -11.940 -12.142 1.00 0.00 H new ATOM 59 N GLY A 7 14.461 -10.057 -10.476 1.00 0.00 N ATOM 60 CA GLY A 7 14.639 -9.385 -9.203 1.00 0.00 C ATOM 61 C GLY A 7 13.324 -8.954 -8.584 1.00 0.00 C ATOM 62 O GLY A 7 12.339 -8.705 -9.280 1.00 0.00 O ATOM 0 H GLY A 7 13.846 -9.576 -11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.160 -10.050 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.274 -8.511 -9.343 1.00 0.00 H new ATOM 66 N PRO A 8 13.295 -8.863 -7.247 1.00 0.00 N ATOM 67 CA PRO A 8 12.096 -8.459 -6.506 1.00 0.00 C ATOM 68 C PRO A 8 11.755 -6.987 -6.713 1.00 0.00 C ATOM 69 O PRO A 8 12.505 -6.252 -7.354 1.00 0.00 O ATOM 70 CB PRO A 8 12.476 -8.721 -5.046 1.00 0.00 C ATOM 71 CG PRO A 8 13.963 -8.632 -5.021 1.00 0.00 C ATOM 72 CD PRO A 8 14.432 -9.144 -6.354 1.00 0.00 C ATOM 0 HA PRO A 8 11.211 -9.004 -6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.024 -7.985 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.132 -9.702 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.290 -7.604 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.376 -9.228 -4.207 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.337 -8.635 -6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.661 -10.209 -6.318 1.00 0.00 H new ATOM 80 N GLN A 9 10.621 -6.565 -6.163 1.00 0.00 N ATOM 81 CA GLN A 9 10.181 -5.180 -6.288 1.00 0.00 C ATOM 82 C GLN A 9 9.997 -4.542 -4.915 1.00 0.00 C ATOM 83 O GLN A 9 9.846 -5.239 -3.911 1.00 0.00 O ATOM 84 CB GLN A 9 8.873 -5.108 -7.077 1.00 0.00 C ATOM 85 CG GLN A 9 7.662 -5.589 -6.293 1.00 0.00 C ATOM 86 CD GLN A 9 6.354 -5.298 -7.002 1.00 0.00 C ATOM 87 OE1 GLN A 9 5.721 -4.270 -6.763 1.00 0.00 O ATOM 88 NE2 GLN A 9 5.942 -6.205 -7.881 1.00 0.00 N ATOM 0 H GLN A 9 9.991 -7.161 -5.627 1.00 0.00 H new ATOM 0 HA GLN A 9 10.951 -4.627 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.705 -4.078 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.971 -5.707 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.747 -6.662 -6.122 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.654 -5.110 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.499 -7.043 -8.048 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.069 -6.063 -8.389 1.00 0.00 H new ATOM 97 N ILE A 10 10.012 -3.214 -4.879 1.00 0.00 N ATOM 98 CA ILE A 10 9.847 -2.482 -3.629 1.00 0.00 C ATOM 99 C ILE A 10 8.423 -2.618 -3.097 1.00 0.00 C ATOM 100 O ILE A 10 7.456 -2.491 -3.847 1.00 0.00 O ATOM 101 CB ILE A 10 10.178 -0.988 -3.804 1.00 0.00 C ATOM 102 CG1 ILE A 10 11.617 -0.815 -4.292 1.00 0.00 C ATOM 103 CG2 ILE A 10 9.963 -0.242 -2.495 1.00 0.00 C ATOM 104 CD1 ILE A 10 11.838 0.455 -5.084 1.00 0.00 C ATOM 0 H ILE A 10 10.137 -2.623 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 10 10.543 -2.918 -2.913 1.00 0.00 H new ATOM 0 HB ILE A 10 9.508 -0.568 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.287 -0.818 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.888 -1.671 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.201 0.813 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.922 -0.342 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.612 -0.662 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.880 0.511 -5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.194 0.452 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.599 1.318 -4.462 1.00 0.00 H new ATOM 116 N ASP A 11 8.305 -2.875 -1.799 1.00 0.00 N ATOM 117 CA ASP A 11 7.001 -3.025 -1.165 1.00 0.00 C ATOM 118 C ASP A 11 6.617 -1.759 -0.405 1.00 0.00 C ATOM 119 O ASP A 11 7.480 -0.977 -0.007 1.00 0.00 O ATOM 120 CB ASP A 11 7.006 -4.223 -0.215 1.00 0.00 C ATOM 121 CG ASP A 11 6.795 -5.538 -0.940 1.00 0.00 C ATOM 122 OD1 ASP A 11 5.649 -5.810 -1.354 1.00 0.00 O ATOM 123 OD2 ASP A 11 7.777 -6.296 -1.092 1.00 0.00 O ATOM 0 H ASP A 11 9.097 -2.984 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 11 6.262 -3.196 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.955 -4.255 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.223 -4.094 0.532 1.00 0.00 H new ATOM 128 N SER A 12 5.317 -1.565 -0.208 1.00 0.00 N ATOM 129 CA SER A 12 4.819 -0.391 0.500 1.00 0.00 C ATOM 130 C SER A 12 3.729 -0.778 1.494 1.00 0.00 C ATOM 131 O SER A 12 3.117 -1.841 1.380 1.00 0.00 O ATOM 132 CB SER A 12 4.275 0.638 -0.495 1.00 0.00 C ATOM 133 OG SER A 12 5.298 1.105 -1.356 1.00 0.00 O ATOM 0 H SER A 12 4.590 -2.205 -0.528 1.00 0.00 H new ATOM 0 HA SER A 12 5.650 0.050 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.475 0.190 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.840 1.478 0.047 1.00 0.00 H new ATOM 0 HG SER A 12 4.925 1.760 -1.983 1.00 0.00 H new ATOM 139 N SER A 13 3.493 0.090 2.472 1.00 0.00 N ATOM 140 CA SER A 13 2.481 -0.162 3.491 1.00 0.00 C ATOM 141 C SER A 13 1.284 0.767 3.308 1.00 0.00 C ATOM 142 O SER A 13 1.359 1.760 2.584 1.00 0.00 O ATOM 143 CB SER A 13 3.075 0.021 4.887 1.00 0.00 C ATOM 144 OG SER A 13 2.161 -0.387 5.889 1.00 0.00 O ATOM 0 H SER A 13 3.989 0.975 2.580 1.00 0.00 H new ATOM 0 HA SER A 13 2.140 -1.192 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.995 -0.557 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.341 1.067 5.038 1.00 0.00 H new ATOM 0 HG SER A 13 2.566 -0.261 6.772 1.00 0.00 H new ATOM 150 N ARG A 14 0.181 0.437 3.972 1.00 0.00 N ATOM 151 CA ARG A 14 -1.032 1.241 3.884 1.00 0.00 C ATOM 152 C ARG A 14 -1.638 1.465 5.267 1.00 0.00 C ATOM 153 O ARG A 14 -1.356 0.722 6.207 1.00 0.00 O ATOM 154 CB ARG A 14 -2.055 0.560 2.972 1.00 0.00 C ATOM 155 CG ARG A 14 -1.825 0.827 1.494 1.00 0.00 C ATOM 156 CD ARG A 14 -2.952 0.261 0.644 1.00 0.00 C ATOM 157 NE ARG A 14 -2.843 -1.186 0.481 1.00 0.00 N ATOM 158 CZ ARG A 14 -3.374 -1.853 -0.537 1.00 0.00 C ATOM 159 NH1 ARG A 14 -4.047 -1.207 -1.479 1.00 0.00 N ATOM 160 NH2 ARG A 14 -3.232 -3.171 -0.614 1.00 0.00 N ATOM 0 H ARG A 14 0.102 -0.381 4.576 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.766 2.210 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.026 -0.515 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.054 0.901 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.745 1.901 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.878 0.384 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.910 0.502 1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.941 0.738 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.331 -1.713 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.158 -0.195 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.454 -1.722 -2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.715 -3.671 0.109 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.640 -3.683 -1.396 1.00 0.00 H new ATOM 174 N ILE A 15 -2.471 2.494 5.382 1.00 0.00 N ATOM 175 CA ILE A 15 -3.116 2.814 6.650 1.00 0.00 C ATOM 176 C ILE A 15 -4.050 1.692 7.091 1.00 0.00 C ATOM 177 O ILE A 15 -4.929 1.271 6.339 1.00 0.00 O ATOM 178 CB ILE A 15 -3.917 4.127 6.557 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.995 5.286 6.171 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.615 4.416 7.877 1.00 0.00 C ATOM 181 CD1 ILE A 15 -1.790 5.427 7.075 1.00 0.00 C ATOM 0 H ILE A 15 -2.715 3.119 4.614 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.322 2.933 7.387 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.677 4.018 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.655 5.143 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.565 6.215 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.177 5.347 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.298 3.600 8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.872 4.509 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.182 6.268 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.121 5.602 8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.197 4.513 7.037 1.00 0.00 H new ATOM 193 N ARG A 16 -3.855 1.215 8.316 1.00 0.00 N ATOM 194 CA ARG A 16 -4.681 0.142 8.857 1.00 0.00 C ATOM 195 C ARG A 16 -4.647 0.148 10.383 1.00 0.00 C ATOM 196 O ARG A 16 -3.664 -0.270 10.993 1.00 0.00 O ATOM 197 CB ARG A 16 -4.204 -1.212 8.331 1.00 0.00 C ATOM 198 CG ARG A 16 -2.841 -1.626 8.860 1.00 0.00 C ATOM 199 CD ARG A 16 -2.201 -2.689 7.982 1.00 0.00 C ATOM 200 NE ARG A 16 -0.742 -2.606 7.996 1.00 0.00 N ATOM 201 CZ ARG A 16 0.045 -3.392 7.269 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.482 -4.313 6.476 1.00 0.00 N ATOM 203 NH2 ARG A 16 1.363 -3.255 7.336 1.00 0.00 N ATOM 0 H ARG A 16 -3.133 1.554 8.952 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.708 0.308 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.935 -1.974 8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.166 -1.176 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.189 -0.754 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.944 -2.006 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.511 -3.676 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.560 -2.579 6.959 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.304 -1.907 8.596 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.495 -4.421 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.125 -4.915 5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.772 -2.547 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.967 -3.858 6.778 1.00 0.00 H new ATOM 217 N SER A 17 -5.729 0.627 10.992 1.00 0.00 N ATOM 218 CA SER A 17 -5.821 0.691 12.445 1.00 0.00 C ATOM 219 C SER A 17 -6.595 -0.504 12.994 1.00 0.00 C ATOM 220 O SER A 17 -6.039 -1.350 13.695 1.00 0.00 O ATOM 221 CB SER A 17 -6.497 1.994 12.877 1.00 0.00 C ATOM 222 OG SER A 17 -5.541 3.011 13.113 1.00 0.00 O ATOM 0 H SER A 17 -6.552 0.976 10.501 1.00 0.00 H new ATOM 0 HA SER A 17 -4.810 0.663 12.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.195 2.319 12.105 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.080 1.822 13.782 1.00 0.00 H new ATOM 0 HG SER A 17 -5.999 3.833 13.386 1.00 0.00 H new ATOM 228 N HIS A 18 -7.883 -0.566 12.669 1.00 0.00 N ATOM 229 CA HIS A 18 -8.735 -1.657 13.128 1.00 0.00 C ATOM 230 C HIS A 18 -8.122 -3.010 12.779 1.00 0.00 C ATOM 231 O HIS A 18 -8.154 -3.436 11.624 1.00 0.00 O ATOM 232 CB HIS A 18 -10.128 -1.540 12.510 1.00 0.00 C ATOM 233 CG HIS A 18 -10.999 -0.525 13.183 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.325 -0.754 13.487 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.728 0.729 13.615 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.831 0.315 14.074 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.883 1.230 14.164 1.00 0.00 N ATOM 0 H HIS A 18 -8.359 0.126 12.090 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.820 -1.586 14.212 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.028 -1.279 11.456 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.618 -2.513 12.553 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.835 -1.615 13.289 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.780 1.241 13.542 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.848 0.423 14.422 1.00 0.00 H new ATOM 245 N ILE A 19 -7.563 -3.678 13.782 1.00 0.00 N ATOM 246 CA ILE A 19 -6.943 -4.981 13.580 1.00 0.00 C ATOM 247 C ILE A 19 -7.977 -6.101 13.659 1.00 0.00 C ATOM 248 O ILE A 19 -8.794 -6.141 14.580 1.00 0.00 O ATOM 249 CB ILE A 19 -5.836 -5.246 14.616 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.044 -3.964 14.888 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.911 -6.354 14.133 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.156 -3.548 13.735 1.00 0.00 C ATOM 0 H ILE A 19 -7.527 -3.338 14.743 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.500 -4.968 12.584 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.301 -5.569 15.548 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.741 -3.156 15.110 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.429 -4.108 15.777 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.134 -6.529 14.877 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.485 -7.269 13.986 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.451 -6.059 13.190 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.625 -2.633 13.997 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.435 -4.339 13.527 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.767 -3.372 12.850 1.00 0.00 H new ATOM 264 N CYS A 20 -7.934 -7.009 12.691 1.00 0.00 N ATOM 265 CA CYS A 20 -8.865 -8.130 12.652 1.00 0.00 C ATOM 266 C CYS A 20 -8.701 -9.017 13.882 1.00 0.00 C ATOM 267 O CYS A 20 -7.587 -9.400 14.241 1.00 0.00 O ATOM 268 CB CYS A 20 -8.649 -8.956 11.383 1.00 0.00 C ATOM 269 SG CYS A 20 -9.742 -10.406 11.243 1.00 0.00 S ATOM 0 H CYS A 20 -7.264 -6.991 11.922 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.878 -7.728 12.648 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.801 -8.315 10.515 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.612 -9.292 11.353 1.00 0.00 H new ATOM 274 N SER A 21 -9.818 -9.340 14.526 1.00 0.00 N ATOM 275 CA SER A 21 -9.798 -10.179 15.718 1.00 0.00 C ATOM 276 C SER A 21 -9.119 -11.514 15.432 1.00 0.00 C ATOM 277 O SER A 21 -8.233 -11.945 16.172 1.00 0.00 O ATOM 278 CB SER A 21 -11.223 -10.416 16.225 1.00 0.00 C ATOM 279 OG SER A 21 -11.231 -10.695 17.614 1.00 0.00 O ATOM 0 H SER A 21 -10.748 -9.033 14.242 1.00 0.00 H new ATOM 0 HA SER A 21 -9.228 -9.659 16.488 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.835 -9.536 16.024 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.672 -11.247 15.681 1.00 0.00 H new ATOM 0 HG SER A 21 -12.153 -10.841 17.913 1.00 0.00 H new ATOM 285 N HIS A 22 -9.541 -12.166 14.353 1.00 0.00 N ATOM 286 CA HIS A 22 -8.972 -13.453 13.967 1.00 0.00 C ATOM 287 C HIS A 22 -7.470 -13.334 13.727 1.00 0.00 C ATOM 288 O HIS A 22 -7.012 -12.577 12.871 1.00 0.00 O ATOM 289 CB HIS A 22 -9.662 -13.982 12.710 1.00 0.00 C ATOM 290 CG HIS A 22 -9.677 -15.477 12.618 1.00 0.00 C ATOM 291 ND1 HIS A 22 -10.773 -16.242 12.956 1.00 0.00 N ATOM 292 CD2 HIS A 22 -8.720 -16.348 12.222 1.00 0.00 C ATOM 293 CE1 HIS A 22 -10.490 -17.518 12.772 1.00 0.00 C ATOM 294 NE2 HIS A 22 -9.250 -17.611 12.327 1.00 0.00 N ATOM 0 H HIS A 22 -10.274 -11.825 13.731 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.136 -14.155 14.785 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.688 -13.615 12.687 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.159 -13.577 11.832 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.725 -16.097 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.159 -18.346 12.954 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.765 -18.479 12.099 1.00 0.00 H new ATOM 302 N PRO A 23 -6.684 -14.099 14.498 1.00 0.00 N ATOM 303 CA PRO A 23 -5.222 -14.096 14.387 1.00 0.00 C ATOM 304 C PRO A 23 -4.738 -14.737 13.091 1.00 0.00 C ATOM 305 O PRO A 23 -3.938 -14.154 12.360 1.00 0.00 O ATOM 306 CB PRO A 23 -4.775 -14.926 15.593 1.00 0.00 C ATOM 307 CG PRO A 23 -5.932 -15.814 15.894 1.00 0.00 C ATOM 308 CD PRO A 23 -7.162 -15.026 15.539 1.00 0.00 C ATOM 0 HA PRO A 23 -4.816 -13.085 14.373 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.881 -15.506 15.365 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.533 -14.289 16.444 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.878 -16.735 15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.942 -16.099 16.946 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.959 -15.670 15.168 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.560 -14.491 16.402 1.00 0.00 H new ATOM 316 N GLY A 24 -5.230 -15.940 12.811 1.00 0.00 N ATOM 317 CA GLY A 24 -4.836 -16.639 11.601 1.00 0.00 C ATOM 318 C GLY A 24 -4.931 -15.763 10.368 1.00 0.00 C ATOM 319 O GLY A 24 -4.117 -15.878 9.451 1.00 0.00 O ATOM 0 H GLY A 24 -5.894 -16.443 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.813 -16.998 11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.469 -17.516 11.469 1.00 0.00 H new ATOM 323 N CYS A 25 -5.928 -14.885 10.344 1.00 0.00 N ATOM 324 CA CYS A 25 -6.130 -13.986 9.213 1.00 0.00 C ATOM 325 C CYS A 25 -5.033 -12.926 9.159 1.00 0.00 C ATOM 326 O CYS A 25 -4.295 -12.830 8.180 1.00 0.00 O ATOM 327 CB CYS A 25 -7.501 -13.314 9.306 1.00 0.00 C ATOM 328 SG CYS A 25 -7.654 -11.798 8.308 1.00 0.00 S ATOM 0 H CYS A 25 -6.609 -14.777 11.095 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.085 -14.577 8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.264 -14.024 8.988 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.705 -13.072 10.349 1.00 0.00 H new ATOM 333 N GLY A 26 -4.934 -12.132 10.220 1.00 0.00 N ATOM 334 CA GLY A 26 -3.926 -11.089 10.274 1.00 0.00 C ATOM 335 C GLY A 26 -4.196 -9.968 9.290 1.00 0.00 C ATOM 336 O GLY A 26 -3.345 -9.638 8.464 1.00 0.00 O ATOM 0 H GLY A 26 -5.533 -12.192 11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.885 -10.680 11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.948 -11.523 10.066 1.00 0.00 H new ATOM 340 N LYS A 27 -5.386 -9.384 9.375 1.00 0.00 N ATOM 341 CA LYS A 27 -5.770 -8.294 8.484 1.00 0.00 C ATOM 342 C LYS A 27 -6.047 -7.018 9.273 1.00 0.00 C ATOM 343 O LYS A 27 -6.302 -7.064 10.477 1.00 0.00 O ATOM 344 CB LYS A 27 -7.006 -8.683 7.672 1.00 0.00 C ATOM 345 CG LYS A 27 -6.698 -9.577 6.483 1.00 0.00 C ATOM 346 CD LYS A 27 -5.990 -8.812 5.378 1.00 0.00 C ATOM 347 CE LYS A 27 -6.982 -8.205 4.398 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.309 -7.696 3.171 1.00 0.00 N ATOM 0 H LYS A 27 -6.102 -9.647 10.052 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.940 -8.106 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.714 -9.193 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.497 -7.777 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.075 -10.411 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.624 -10.002 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.378 -8.022 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.314 -9.481 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.724 -8.954 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.519 -7.389 4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.019 -7.290 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.619 -6.963 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.818 -8.479 2.694 1.00 0.00 H new ATOM 362 N THR A 28 -5.996 -5.881 8.587 1.00 0.00 N ATOM 363 CA THR A 28 -6.243 -4.593 9.224 1.00 0.00 C ATOM 364 C THR A 28 -6.658 -3.543 8.199 1.00 0.00 C ATOM 365 O THR A 28 -6.141 -3.514 7.083 1.00 0.00 O ATOM 366 CB THR A 28 -4.996 -4.092 9.978 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.427 -5.157 10.747 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.349 -2.930 10.895 1.00 0.00 C ATOM 0 H THR A 28 -5.786 -5.825 7.590 1.00 0.00 H new ATOM 0 HA THR A 28 -7.055 -4.743 9.936 1.00 0.00 H new ATOM 0 HB THR A 28 -4.269 -3.747 9.243 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.139 -5.756 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.453 -2.593 11.417 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.754 -2.109 10.303 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.093 -3.254 11.623 1.00 0.00 H new ATOM 376 N TYR A 29 -7.595 -2.685 8.585 1.00 0.00 N ATOM 377 CA TYR A 29 -8.082 -1.635 7.699 1.00 0.00 C ATOM 378 C TYR A 29 -8.151 -0.297 8.428 1.00 0.00 C ATOM 379 O TYR A 29 -8.291 -0.247 9.650 1.00 0.00 O ATOM 380 CB TYR A 29 -9.462 -2.001 7.150 1.00 0.00 C ATOM 381 CG TYR A 29 -9.466 -3.264 6.318 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.615 -4.511 6.913 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.320 -3.211 4.938 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.620 -5.667 6.158 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.325 -4.362 4.173 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.475 -5.587 4.788 1.00 0.00 C ATOM 387 OH TYR A 29 -9.479 -6.737 4.032 1.00 0.00 O ATOM 0 H TYR A 29 -8.033 -2.696 9.506 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.382 -1.541 6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.155 -2.122 7.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.834 -1.175 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.729 -4.577 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.200 -2.253 4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.737 -6.628 6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.212 -4.302 3.101 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.368 -6.507 3.086 1.00 0.00 H new ATOM 397 N PHE A 30 -8.053 0.790 7.667 1.00 0.00 N ATOM 398 CA PHE A 30 -8.103 2.130 8.238 1.00 0.00 C ATOM 399 C PHE A 30 -9.522 2.482 8.675 1.00 0.00 C ATOM 400 O PHE A 30 -9.765 2.799 9.840 1.00 0.00 O ATOM 401 CB PHE A 30 -7.601 3.159 7.223 1.00 0.00 C ATOM 402 CG PHE A 30 -8.201 2.997 5.856 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.675 2.082 4.958 1.00 0.00 C ATOM 404 CD2 PHE A 30 -9.293 3.758 5.471 1.00 0.00 C ATOM 405 CE1 PHE A 30 -8.225 1.930 3.700 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.848 3.609 4.213 1.00 0.00 C ATOM 407 CZ PHE A 30 -9.313 2.695 3.326 1.00 0.00 C ATOM 0 H PHE A 30 -7.939 0.768 6.654 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.456 2.148 9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.824 4.160 7.592 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.516 3.082 7.146 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.825 1.481 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.715 4.475 6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.805 1.214 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.700 4.207 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.744 2.579 2.343 1.00 0.00 H new ATOM 417 N LYS A 31 -10.456 2.422 7.733 1.00 0.00 N ATOM 418 CA LYS A 31 -11.853 2.733 8.018 1.00 0.00 C ATOM 419 C LYS A 31 -12.382 1.865 9.156 1.00 0.00 C ATOM 420 O LYS A 31 -12.624 0.672 8.978 1.00 0.00 O ATOM 421 CB LYS A 31 -12.708 2.528 6.766 1.00 0.00 C ATOM 422 CG LYS A 31 -12.805 3.763 5.888 1.00 0.00 C ATOM 423 CD LYS A 31 -13.959 4.659 6.308 1.00 0.00 C ATOM 424 CE LYS A 31 -14.009 5.931 5.477 1.00 0.00 C ATOM 425 NZ LYS A 31 -12.918 6.877 5.844 1.00 0.00 N ATOM 0 H LYS A 31 -10.272 2.161 6.764 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.912 3.778 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.290 1.708 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.711 2.226 7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.871 4.322 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.937 3.462 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.899 4.117 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.856 4.916 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.929 5.677 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.974 6.418 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.046 7.771 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.947 7.060 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.999 6.461 5.592 1.00 0.00 H new ATOM 439 N SER A 32 -12.560 2.473 10.324 1.00 0.00 N ATOM 440 CA SER A 32 -13.058 1.755 11.492 1.00 0.00 C ATOM 441 C SER A 32 -14.186 0.804 11.103 1.00 0.00 C ATOM 442 O SER A 32 -14.346 -0.262 11.698 1.00 0.00 O ATOM 443 CB SER A 32 -13.551 2.742 12.551 1.00 0.00 C ATOM 444 OG SER A 32 -12.475 3.491 13.090 1.00 0.00 O ATOM 0 H SER A 32 -12.367 3.461 10.487 1.00 0.00 H new ATOM 0 HA SER A 32 -12.237 1.169 11.906 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.284 3.418 12.110 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.057 2.200 13.350 1.00 0.00 H new ATOM 0 HG SER A 32 -11.995 2.947 13.749 1.00 0.00 H new ATOM 450 N SER A 33 -14.964 1.197 10.100 1.00 0.00 N ATOM 451 CA SER A 33 -16.081 0.382 9.634 1.00 0.00 C ATOM 452 C SER A 33 -15.582 -0.792 8.796 1.00 0.00 C ATOM 453 O SER A 33 -15.980 -1.937 9.012 1.00 0.00 O ATOM 454 CB SER A 33 -17.053 1.232 8.814 1.00 0.00 C ATOM 455 OG SER A 33 -16.406 1.811 7.695 1.00 0.00 O ATOM 0 H SER A 33 -14.842 2.074 9.594 1.00 0.00 H new ATOM 0 HA SER A 33 -16.602 -0.011 10.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.886 0.615 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.473 2.018 9.442 1.00 0.00 H new ATOM 0 HG SER A 33 -17.049 2.348 7.187 1.00 0.00 H new ATOM 461 N HIS A 34 -14.710 -0.498 7.837 1.00 0.00 N ATOM 462 CA HIS A 34 -14.156 -1.528 6.965 1.00 0.00 C ATOM 463 C HIS A 34 -14.009 -2.850 7.712 1.00 0.00 C ATOM 464 O HIS A 34 -14.600 -3.861 7.330 1.00 0.00 O ATOM 465 CB HIS A 34 -12.800 -1.086 6.415 1.00 0.00 C ATOM 466 CG HIS A 34 -12.894 -0.336 5.123 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.828 -0.189 4.259 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.934 0.312 4.548 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.210 0.516 3.209 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.484 0.832 3.360 1.00 0.00 N ATOM 0 H HIS A 34 -14.372 0.445 7.644 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.846 -1.675 6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.304 -0.458 7.155 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.172 -1.965 6.271 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.932 0.403 4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.587 0.788 2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.042 1.374 2.701 1.00 0.00 H new ATOM 478 N LEU A 35 -13.217 -2.836 8.778 1.00 0.00 N ATOM 479 CA LEU A 35 -12.992 -4.035 9.579 1.00 0.00 C ATOM 480 C LEU A 35 -14.291 -4.808 9.781 1.00 0.00 C ATOM 481 O LEU A 35 -14.426 -5.945 9.328 1.00 0.00 O ATOM 482 CB LEU A 35 -12.392 -3.661 10.936 1.00 0.00 C ATOM 483 CG LEU A 35 -11.953 -4.827 11.821 1.00 0.00 C ATOM 484 CD1 LEU A 35 -10.601 -5.359 11.371 1.00 0.00 C ATOM 485 CD2 LEU A 35 -11.901 -4.399 13.281 1.00 0.00 C ATOM 0 H LEU A 35 -12.720 -2.009 9.108 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.291 -4.674 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.530 -3.017 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.126 -3.071 11.485 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.686 -5.628 11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.305 -6.189 12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.671 -5.705 10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.857 -4.565 11.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.587 -5.242 13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.190 -3.581 13.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.890 -4.067 13.598 1.00 0.00 H new ATOM 497 N LYS A 36 -15.245 -4.183 10.462 1.00 0.00 N ATOM 498 CA LYS A 36 -16.537 -4.810 10.721 1.00 0.00 C ATOM 499 C LYS A 36 -17.074 -5.488 9.464 1.00 0.00 C ATOM 500 O LYS A 36 -17.639 -6.580 9.532 1.00 0.00 O ATOM 501 CB LYS A 36 -17.541 -3.769 11.220 1.00 0.00 C ATOM 502 CG LYS A 36 -18.979 -4.258 11.212 1.00 0.00 C ATOM 503 CD LYS A 36 -19.670 -3.937 9.899 1.00 0.00 C ATOM 504 CE LYS A 36 -20.361 -2.583 9.948 1.00 0.00 C ATOM 505 NZ LYS A 36 -21.452 -2.554 10.962 1.00 0.00 N ATOM 0 H LYS A 36 -15.149 -3.243 10.845 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.397 -5.569 11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.272 -3.474 12.234 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.466 -2.877 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.999 -5.335 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.526 -3.796 12.034 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.939 -3.944 9.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.402 -4.712 9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.629 -1.810 10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.772 -2.349 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.168 -1.853 10.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.893 -3.494 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.058 -2.295 11.889 1.00 0.00 H new ATOM 519 N ALA A 37 -16.891 -4.836 8.322 1.00 0.00 N ATOM 520 CA ALA A 37 -17.355 -5.379 7.050 1.00 0.00 C ATOM 521 C ALA A 37 -16.492 -6.556 6.609 1.00 0.00 C ATOM 522 O ALA A 37 -16.989 -7.520 6.025 1.00 0.00 O ATOM 523 CB ALA A 37 -17.357 -4.295 5.983 1.00 0.00 C ATOM 0 H ALA A 37 -16.425 -3.931 8.250 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.374 -5.740 7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.705 -4.714 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.021 -3.486 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.346 -3.907 5.857 1.00 0.00 H new ATOM 529 N HIS A 38 -15.195 -6.472 6.890 1.00 0.00 N ATOM 530 CA HIS A 38 -14.263 -7.531 6.521 1.00 0.00 C ATOM 531 C HIS A 38 -14.541 -8.802 7.319 1.00 0.00 C ATOM 532 O HIS A 38 -14.878 -9.842 6.752 1.00 0.00 O ATOM 533 CB HIS A 38 -12.822 -7.075 6.754 1.00 0.00 C ATOM 534 CG HIS A 38 -11.871 -8.202 7.013 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.055 -8.737 6.040 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.608 -8.896 8.145 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.331 -9.713 6.561 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.647 -9.829 7.838 1.00 0.00 N ATOM 0 H HIS A 38 -14.766 -5.682 7.372 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.401 -7.750 5.462 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.481 -6.516 5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.799 -6.389 7.601 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.016 -8.428 5.069 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.068 -8.745 9.110 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.605 -10.313 6.032 1.00 0.00 H new ATOM 546 N THR A 39 -14.397 -8.711 8.638 1.00 0.00 N ATOM 547 CA THR A 39 -14.631 -9.854 9.512 1.00 0.00 C ATOM 548 C THR A 39 -15.719 -10.762 8.951 1.00 0.00 C ATOM 549 O THR A 39 -15.618 -11.986 9.026 1.00 0.00 O ATOM 550 CB THR A 39 -15.034 -9.403 10.929 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.085 -8.454 11.429 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.114 -10.593 11.873 1.00 0.00 C ATOM 0 H THR A 39 -14.120 -7.858 9.124 1.00 0.00 H new ATOM 0 HA THR A 39 -13.694 -10.407 9.567 1.00 0.00 H new ATOM 0 HB THR A 39 -16.018 -8.937 10.873 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.349 -8.171 12.329 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.400 -10.250 12.867 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.858 -11.300 11.505 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.142 -11.083 11.924 1.00 0.00 H new ATOM 560 N ARG A 40 -16.759 -10.155 8.388 1.00 0.00 N ATOM 561 CA ARG A 40 -17.866 -10.910 7.815 1.00 0.00 C ATOM 562 C ARG A 40 -17.352 -12.075 6.976 1.00 0.00 C ATOM 563 O ARG A 40 -17.779 -13.217 7.150 1.00 0.00 O ATOM 564 CB ARG A 40 -18.744 -9.996 6.957 1.00 0.00 C ATOM 565 CG ARG A 40 -19.571 -9.011 7.767 1.00 0.00 C ATOM 566 CD ARG A 40 -20.162 -7.923 6.883 1.00 0.00 C ATOM 567 NE ARG A 40 -21.078 -8.467 5.884 1.00 0.00 N ATOM 568 CZ ARG A 40 -22.058 -7.765 5.327 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.248 -6.498 5.669 1.00 0.00 N ATOM 570 NH2 ARG A 40 -22.850 -8.331 4.424 1.00 0.00 N ATOM 0 H ARG A 40 -16.858 -9.142 8.317 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.463 -11.311 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.110 -9.442 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.413 -10.610 6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.374 -9.542 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.947 -8.557 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.690 -7.199 7.503 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.357 -7.386 6.382 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.959 -9.439 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.641 -6.060 6.362 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.002 -5.961 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.706 -9.305 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.603 -7.792 3.996 1.00 0.00 H new ATOM 584 N THR A 41 -16.433 -11.779 6.061 1.00 0.00 N ATOM 585 CA THR A 41 -15.862 -12.801 5.193 1.00 0.00 C ATOM 586 C THR A 41 -15.569 -14.080 5.968 1.00 0.00 C ATOM 587 O THR A 41 -15.697 -15.184 5.437 1.00 0.00 O ATOM 588 CB THR A 41 -14.564 -12.309 4.526 1.00 0.00 C ATOM 589 OG1 THR A 41 -14.168 -13.221 3.493 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.445 -12.178 5.548 1.00 0.00 C ATOM 0 H THR A 41 -16.069 -10.840 5.902 1.00 0.00 H new ATOM 0 HA THR A 41 -16.602 -13.010 4.421 1.00 0.00 H new ATOM 0 HB THR A 41 -14.755 -11.328 4.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.835 -12.717 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.539 -11.829 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.737 -11.463 6.317 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.257 -13.148 6.008 1.00 0.00 H new ATOM 598 N HIS A 42 -15.175 -13.926 7.228 1.00 0.00 N ATOM 599 CA HIS A 42 -14.865 -15.071 8.078 1.00 0.00 C ATOM 600 C HIS A 42 -16.136 -15.818 8.469 1.00 0.00 C ATOM 601 O HIS A 42 -16.255 -17.023 8.245 1.00 0.00 O ATOM 602 CB HIS A 42 -14.122 -14.614 9.334 1.00 0.00 C ATOM 603 CG HIS A 42 -12.767 -14.039 9.053 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.809 -14.699 8.312 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.213 -12.859 9.415 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.724 -13.951 8.234 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.943 -12.828 8.895 1.00 0.00 N ATOM 0 H HIS A 42 -15.063 -13.020 7.683 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.226 -15.749 7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.724 -13.867 9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.015 -15.461 10.011 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.921 -15.621 7.890 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.683 -12.085 10.004 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.812 -14.213 7.718 1.00 0.00 H new ATOM 615 N THR A 43 -17.086 -15.095 9.055 1.00 0.00 N ATOM 616 CA THR A 43 -18.347 -15.689 9.479 1.00 0.00 C ATOM 617 C THR A 43 -19.289 -15.880 8.297 1.00 0.00 C ATOM 618 O THR A 43 -19.837 -14.915 7.765 1.00 0.00 O ATOM 619 CB THR A 43 -19.046 -14.823 10.544 1.00 0.00 C ATOM 620 OG1 THR A 43 -20.341 -15.359 10.839 1.00 0.00 O ATOM 621 CG2 THR A 43 -19.185 -13.385 10.066 1.00 0.00 C ATOM 0 H THR A 43 -17.005 -14.096 9.247 1.00 0.00 H new ATOM 0 HA THR A 43 -18.109 -16.661 9.911 1.00 0.00 H new ATOM 0 HB THR A 43 -18.435 -14.833 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 43 -20.778 -14.804 11.518 1.00 0.00 H new ATOM 0 HG21 THR A 43 -19.681 -12.792 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 43 -18.197 -12.970 9.870 1.00 0.00 H new ATOM 0 HG23 THR A 43 -19.777 -13.361 9.151 1.00 0.00 H new ATOM 629 N GLY A 44 -19.474 -17.133 7.889 1.00 0.00 N ATOM 630 CA GLY A 44 -20.352 -17.427 6.771 1.00 0.00 C ATOM 631 C GLY A 44 -20.120 -18.812 6.201 1.00 0.00 C ATOM 632 O GLY A 44 -19.061 -19.403 6.406 1.00 0.00 O ATOM 0 H GLY A 44 -19.032 -17.949 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -21.389 -17.340 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -20.199 -16.685 5.988 1.00 0.00 H new ATOM 636 N GLU A 45 -21.114 -19.330 5.485 1.00 0.00 N ATOM 637 CA GLU A 45 -21.012 -20.655 4.886 1.00 0.00 C ATOM 638 C GLU A 45 -19.621 -20.882 4.300 1.00 0.00 C ATOM 639 O GLU A 45 -18.994 -21.913 4.541 1.00 0.00 O ATOM 640 CB GLU A 45 -22.071 -20.828 3.796 1.00 0.00 C ATOM 641 CG GLU A 45 -23.498 -20.731 4.311 1.00 0.00 C ATOM 642 CD GLU A 45 -24.517 -21.236 3.308 1.00 0.00 C ATOM 643 OE1 GLU A 45 -24.918 -20.450 2.425 1.00 0.00 O ATOM 644 OE2 GLU A 45 -24.912 -22.415 3.407 1.00 0.00 O ATOM 0 H GLU A 45 -21.997 -18.853 5.306 1.00 0.00 H new ATOM 0 HA GLU A 45 -21.182 -21.394 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -21.918 -20.068 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -21.932 -21.797 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -23.587 -21.305 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -23.721 -19.693 4.558 1.00 0.00 H new ATOM 651 N LYS A 46 -19.145 -19.912 3.527 1.00 0.00 N ATOM 652 CA LYS A 46 -17.830 -20.002 2.906 1.00 0.00 C ATOM 653 C LYS A 46 -16.840 -19.060 3.585 1.00 0.00 C ATOM 654 O LYS A 46 -16.838 -17.852 3.352 1.00 0.00 O ATOM 655 CB LYS A 46 -17.923 -19.672 1.414 1.00 0.00 C ATOM 656 CG LYS A 46 -18.881 -18.536 1.102 1.00 0.00 C ATOM 657 CD LYS A 46 -20.267 -19.054 0.759 1.00 0.00 C ATOM 658 CE LYS A 46 -20.982 -18.129 -0.216 1.00 0.00 C ATOM 659 NZ LYS A 46 -21.509 -16.911 0.460 1.00 0.00 N ATOM 0 H LYS A 46 -19.652 -19.053 3.316 1.00 0.00 H new ATOM 0 HA LYS A 46 -17.471 -21.024 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.931 -19.411 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.240 -20.563 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -18.944 -17.866 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -18.494 -17.951 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -20.187 -20.051 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.857 -19.150 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.294 -17.835 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -21.804 -18.666 -0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.914 -16.268 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -22.246 -17.183 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.735 -16.430 0.962 1.00 0.00 H new ATOM 673 N PRO A 47 -15.979 -19.625 4.444 1.00 0.00 N ATOM 674 CA PRO A 47 -14.968 -18.853 5.173 1.00 0.00 C ATOM 675 C PRO A 47 -13.865 -18.332 4.257 1.00 0.00 C ATOM 676 O PRO A 47 -13.387 -17.210 4.422 1.00 0.00 O ATOM 677 CB PRO A 47 -14.400 -19.866 6.170 1.00 0.00 C ATOM 678 CG PRO A 47 -14.641 -21.194 5.541 1.00 0.00 C ATOM 679 CD PRO A 47 -15.925 -21.060 4.770 1.00 0.00 C ATOM 0 HA PRO A 47 -15.392 -17.965 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.337 -19.697 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.897 -19.790 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.817 -21.469 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.719 -21.975 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -15.920 -21.676 3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.785 -21.370 5.364 1.00 0.00 H new ATOM 687 N PHE A 48 -13.467 -19.153 3.290 1.00 0.00 N ATOM 688 CA PHE A 48 -12.420 -18.775 2.349 1.00 0.00 C ATOM 689 C PHE A 48 -12.864 -17.595 1.489 1.00 0.00 C ATOM 690 O PHE A 48 -14.056 -17.394 1.258 1.00 0.00 O ATOM 691 CB PHE A 48 -12.056 -19.963 1.455 1.00 0.00 C ATOM 692 CG PHE A 48 -11.406 -21.095 2.198 1.00 0.00 C ATOM 693 CD1 PHE A 48 -10.099 -20.986 2.649 1.00 0.00 C ATOM 694 CD2 PHE A 48 -12.101 -22.267 2.448 1.00 0.00 C ATOM 695 CE1 PHE A 48 -9.499 -22.025 3.333 1.00 0.00 C ATOM 696 CE2 PHE A 48 -11.505 -23.309 3.132 1.00 0.00 C ATOM 697 CZ PHE A 48 -10.203 -23.189 3.575 1.00 0.00 C ATOM 0 H PHE A 48 -13.854 -20.084 3.138 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.541 -18.476 2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.959 -20.330 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.384 -19.622 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.544 -20.078 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.120 -22.367 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.480 -21.928 3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.058 -24.218 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.736 -24.003 4.109 1.00 0.00 H new ATOM 707 N SER A 49 -11.894 -16.816 1.019 1.00 0.00 N ATOM 708 CA SER A 49 -12.183 -15.653 0.188 1.00 0.00 C ATOM 709 C SER A 49 -10.967 -15.268 -0.650 1.00 0.00 C ATOM 710 O SER A 49 -9.828 -15.351 -0.188 1.00 0.00 O ATOM 711 CB SER A 49 -12.609 -14.471 1.061 1.00 0.00 C ATOM 712 OG SER A 49 -11.694 -14.263 2.122 1.00 0.00 O ATOM 0 H SER A 49 -10.902 -16.969 1.200 1.00 0.00 H new ATOM 0 HA SER A 49 -13.000 -15.912 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.674 -13.570 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.604 -14.654 1.466 1.00 0.00 H new ATOM 0 HG SER A 49 -12.167 -13.887 2.893 1.00 0.00 H new ATOM 718 N CYS A 50 -11.218 -14.849 -1.885 1.00 0.00 N ATOM 719 CA CYS A 50 -10.146 -14.451 -2.790 1.00 0.00 C ATOM 720 C CYS A 50 -10.167 -12.945 -3.030 1.00 0.00 C ATOM 721 O CYS A 50 -11.084 -12.419 -3.660 1.00 0.00 O ATOM 722 CB CYS A 50 -10.275 -15.193 -4.122 1.00 0.00 C ATOM 723 SG CYS A 50 -9.094 -14.643 -5.396 1.00 0.00 S ATOM 0 H CYS A 50 -12.154 -14.776 -2.283 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.195 -14.713 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -10.134 -16.260 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.289 -15.064 -4.501 1.00 0.00 H new ATOM 728 N SER A 51 -9.149 -12.256 -2.524 1.00 0.00 N ATOM 729 CA SER A 51 -9.052 -10.809 -2.680 1.00 0.00 C ATOM 730 C SER A 51 -8.000 -10.445 -3.723 1.00 0.00 C ATOM 731 O SER A 51 -6.800 -10.477 -3.448 1.00 0.00 O ATOM 732 CB SER A 51 -8.708 -10.154 -1.341 1.00 0.00 C ATOM 733 OG SER A 51 -9.083 -8.787 -1.332 1.00 0.00 O ATOM 0 H SER A 51 -8.380 -12.676 -2.003 1.00 0.00 H new ATOM 0 HA SER A 51 -10.019 -10.438 -3.020 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.218 -10.680 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.638 -10.242 -1.153 1.00 0.00 H new ATOM 0 HG SER A 51 -8.855 -8.391 -0.465 1.00 0.00 H new ATOM 739 N TRP A 52 -8.459 -10.100 -4.921 1.00 0.00 N ATOM 740 CA TRP A 52 -7.558 -9.729 -6.006 1.00 0.00 C ATOM 741 C TRP A 52 -7.799 -8.289 -6.446 1.00 0.00 C ATOM 742 O TRP A 52 -7.387 -7.884 -7.533 1.00 0.00 O ATOM 743 CB TRP A 52 -7.741 -10.676 -7.194 1.00 0.00 C ATOM 744 CG TRP A 52 -6.889 -10.319 -8.374 1.00 0.00 C ATOM 745 CD1 TRP A 52 -7.312 -10.088 -9.652 1.00 0.00 C ATOM 746 CD2 TRP A 52 -5.466 -10.156 -8.386 1.00 0.00 C ATOM 747 NE1 TRP A 52 -6.238 -9.791 -10.456 1.00 0.00 N ATOM 748 CE2 TRP A 52 -5.095 -9.825 -9.704 1.00 0.00 C ATOM 749 CE3 TRP A 52 -4.470 -10.255 -7.410 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -3.771 -9.595 -10.069 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -3.156 -10.026 -7.774 1.00 0.00 C ATOM 752 CH2 TRP A 52 -2.817 -9.698 -9.093 1.00 0.00 C ATOM 0 H TRP A 52 -9.449 -10.070 -5.165 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.535 -9.810 -5.639 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -7.505 -11.693 -6.879 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -8.788 -10.671 -7.496 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -8.339 -10.132 -9.982 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.285 -9.579 -11.453 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.722 -10.506 -6.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.506 -9.344 -11.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.378 -10.101 -7.029 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.782 -9.523 -9.345 1.00 0.00 H new ATOM 763 N LYS A 53 -8.467 -7.520 -5.594 1.00 0.00 N ATOM 764 CA LYS A 53 -8.763 -6.123 -5.893 1.00 0.00 C ATOM 765 C LYS A 53 -9.718 -6.011 -7.077 1.00 0.00 C ATOM 766 O LYS A 53 -9.554 -5.148 -7.939 1.00 0.00 O ATOM 767 CB LYS A 53 -7.470 -5.360 -6.194 1.00 0.00 C ATOM 768 CG LYS A 53 -6.448 -5.430 -5.073 1.00 0.00 C ATOM 769 CD LYS A 53 -6.817 -4.507 -3.924 1.00 0.00 C ATOM 770 CE LYS A 53 -5.717 -4.457 -2.873 1.00 0.00 C ATOM 771 NZ LYS A 53 -5.627 -5.729 -2.104 1.00 0.00 N ATOM 0 H LYS A 53 -8.814 -7.840 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.243 -5.684 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.025 -5.760 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.712 -4.315 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.376 -6.455 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.465 -5.158 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.001 -3.503 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.745 -4.849 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.761 -4.257 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.907 -3.631 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.867 -5.655 -1.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.531 -5.908 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.421 -6.514 -2.754 1.00 0.00 H new ATOM 785 N GLY A 54 -10.717 -6.887 -7.111 1.00 0.00 N ATOM 786 CA GLY A 54 -11.685 -6.868 -8.193 1.00 0.00 C ATOM 787 C GLY A 54 -12.460 -8.166 -8.300 1.00 0.00 C ATOM 788 O GLY A 54 -13.630 -8.169 -8.681 1.00 0.00 O ATOM 0 H GLY A 54 -10.874 -7.610 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.382 -6.044 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.170 -6.677 -9.134 1.00 0.00 H new ATOM 792 N CYS A 55 -11.805 -9.273 -7.967 1.00 0.00 N ATOM 793 CA CYS A 55 -12.439 -10.585 -8.029 1.00 0.00 C ATOM 794 C CYS A 55 -13.445 -10.758 -6.896 1.00 0.00 C ATOM 795 O CYS A 55 -14.649 -10.856 -7.132 1.00 0.00 O ATOM 796 CB CYS A 55 -11.382 -11.688 -7.960 1.00 0.00 C ATOM 797 SG CYS A 55 -12.041 -13.321 -7.492 1.00 0.00 S ATOM 0 H CYS A 55 -10.835 -9.288 -7.651 1.00 0.00 H new ATOM 0 HA CYS A 55 -12.971 -10.659 -8.977 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.894 -11.770 -8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.616 -11.398 -7.241 1.00 0.00 H new ATOM 802 N GLU A 56 -12.943 -10.793 -5.665 1.00 0.00 N ATOM 803 CA GLU A 56 -13.798 -10.954 -4.496 1.00 0.00 C ATOM 804 C GLU A 56 -14.663 -12.206 -4.623 1.00 0.00 C ATOM 805 O GLU A 56 -15.864 -12.173 -4.358 1.00 0.00 O ATOM 806 CB GLU A 56 -14.688 -9.724 -4.313 1.00 0.00 C ATOM 807 CG GLU A 56 -13.916 -8.460 -3.971 1.00 0.00 C ATOM 808 CD GLU A 56 -14.818 -7.332 -3.512 1.00 0.00 C ATOM 809 OE1 GLU A 56 -15.300 -6.568 -4.374 1.00 0.00 O ATOM 810 OE2 GLU A 56 -15.043 -7.212 -2.289 1.00 0.00 O ATOM 0 H GLU A 56 -11.949 -10.712 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.156 -11.062 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.255 -9.557 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.411 -9.923 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.191 -8.682 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.351 -8.136 -4.845 1.00 0.00 H new ATOM 817 N ARG A 57 -14.042 -13.308 -5.029 1.00 0.00 N ATOM 818 CA ARG A 57 -14.753 -14.570 -5.193 1.00 0.00 C ATOM 819 C ARG A 57 -14.347 -15.568 -4.113 1.00 0.00 C ATOM 820 O ARG A 57 -13.214 -16.050 -4.093 1.00 0.00 O ATOM 821 CB ARG A 57 -14.477 -15.160 -6.577 1.00 0.00 C ATOM 822 CG ARG A 57 -14.884 -14.246 -7.721 1.00 0.00 C ATOM 823 CD ARG A 57 -16.357 -14.402 -8.063 1.00 0.00 C ATOM 824 NE ARG A 57 -16.596 -15.549 -8.935 1.00 0.00 N ATOM 825 CZ ARG A 57 -17.809 -15.968 -9.280 1.00 0.00 C ATOM 826 NH1 ARG A 57 -18.885 -15.338 -8.830 1.00 0.00 N ATOM 827 NH2 ARG A 57 -17.947 -17.019 -10.078 1.00 0.00 N ATOM 0 H ARG A 57 -13.047 -13.353 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.820 -14.371 -5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.413 -15.383 -6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.010 -16.106 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.680 -13.210 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.280 -14.471 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.932 -14.518 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.714 -13.495 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.789 -16.055 -9.299 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.783 -14.529 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.815 -15.662 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.122 -17.506 -10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.878 -17.340 -10.342 1.00 0.00 H new ATOM 841 N ARG A 58 -15.278 -15.872 -3.214 1.00 0.00 N ATOM 842 CA ARG A 58 -15.016 -16.810 -2.129 1.00 0.00 C ATOM 843 C ARG A 58 -15.495 -18.212 -2.496 1.00 0.00 C ATOM 844 O ARG A 58 -16.244 -18.392 -3.456 1.00 0.00 O ATOM 845 CB ARG A 58 -15.704 -16.345 -0.845 1.00 0.00 C ATOM 846 CG ARG A 58 -17.128 -15.859 -1.060 1.00 0.00 C ATOM 847 CD ARG A 58 -17.791 -15.480 0.255 1.00 0.00 C ATOM 848 NE ARG A 58 -17.578 -14.074 0.590 1.00 0.00 N ATOM 849 CZ ARG A 58 -18.265 -13.429 1.527 1.00 0.00 C ATOM 850 NH1 ARG A 58 -19.205 -14.061 2.216 1.00 0.00 N ATOM 851 NH2 ARG A 58 -18.013 -12.150 1.773 1.00 0.00 N ATOM 0 H ARG A 58 -16.221 -15.482 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.939 -16.843 -1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.714 -17.167 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.118 -15.541 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.123 -14.998 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.710 -16.639 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.861 -15.680 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.396 -16.107 1.054 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.863 -13.559 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.402 -15.044 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.731 -13.564 2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.292 -11.661 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.541 -11.655 2.492 1.00 0.00 H new ATOM 865 N PHE A 59 -15.056 -19.203 -1.725 1.00 0.00 N ATOM 866 CA PHE A 59 -15.439 -20.588 -1.969 1.00 0.00 C ATOM 867 C PHE A 59 -15.316 -21.418 -0.695 1.00 0.00 C ATOM 868 O PHE A 59 -14.213 -21.698 -0.228 1.00 0.00 O ATOM 869 CB PHE A 59 -14.568 -21.193 -3.072 1.00 0.00 C ATOM 870 CG PHE A 59 -14.577 -20.399 -4.347 1.00 0.00 C ATOM 871 CD1 PHE A 59 -13.735 -19.309 -4.505 1.00 0.00 C ATOM 872 CD2 PHE A 59 -15.425 -20.741 -5.386 1.00 0.00 C ATOM 873 CE1 PHE A 59 -13.741 -18.576 -5.677 1.00 0.00 C ATOM 874 CE2 PHE A 59 -15.437 -20.013 -6.560 1.00 0.00 C ATOM 875 CZ PHE A 59 -14.593 -18.929 -6.706 1.00 0.00 C ATOM 0 H PHE A 59 -14.435 -19.072 -0.927 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.480 -20.600 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.543 -21.274 -2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -14.913 -22.206 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -13.067 -19.029 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -16.086 -21.588 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -13.081 -17.729 -5.788 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.105 -20.291 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 59 -14.599 -18.358 -7.623 1.00 0.00 H new ATOM 885 N ALA A 60 -16.458 -21.808 -0.138 1.00 0.00 N ATOM 886 CA ALA A 60 -16.479 -22.608 1.080 1.00 0.00 C ATOM 887 C ALA A 60 -15.539 -23.803 0.970 1.00 0.00 C ATOM 888 O ALA A 60 -14.822 -24.130 1.916 1.00 0.00 O ATOM 889 CB ALA A 60 -17.897 -23.075 1.380 1.00 0.00 C ATOM 0 H ALA A 60 -17.380 -21.583 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.132 -21.982 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.898 -23.671 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.545 -22.209 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.264 -23.680 0.551 1.00 0.00 H new ATOM 895 N ARG A 61 -15.547 -24.451 -0.190 1.00 0.00 N ATOM 896 CA ARG A 61 -14.696 -25.611 -0.424 1.00 0.00 C ATOM 897 C ARG A 61 -13.272 -25.182 -0.766 1.00 0.00 C ATOM 898 O ARG A 61 -13.005 -24.709 -1.870 1.00 0.00 O ATOM 899 CB ARG A 61 -15.267 -26.471 -1.553 1.00 0.00 C ATOM 900 CG ARG A 61 -14.949 -27.951 -1.412 1.00 0.00 C ATOM 901 CD ARG A 61 -15.660 -28.777 -2.473 1.00 0.00 C ATOM 902 NE ARG A 61 -17.112 -28.655 -2.379 1.00 0.00 N ATOM 903 CZ ARG A 61 -17.957 -29.582 -2.818 1.00 0.00 C ATOM 904 NH1 ARG A 61 -17.496 -30.692 -3.377 1.00 0.00 N ATOM 905 NH2 ARG A 61 -19.265 -29.399 -2.697 1.00 0.00 N ATOM 0 H ARG A 61 -16.134 -24.192 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.669 -26.200 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.349 -26.342 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.875 -26.113 -2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.873 -28.102 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.246 -28.295 -0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.332 -28.456 -3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.377 -29.824 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.499 -27.813 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.491 -30.836 -3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.147 -31.402 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.623 -28.546 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.913 -30.111 -3.034 1.00 0.00 H new ATOM 919 N SER A 62 -12.364 -25.349 0.189 1.00 0.00 N ATOM 920 CA SER A 62 -10.968 -24.974 -0.010 1.00 0.00 C ATOM 921 C SER A 62 -10.515 -25.304 -1.428 1.00 0.00 C ATOM 922 O SER A 62 -9.915 -24.472 -2.110 1.00 0.00 O ATOM 923 CB SER A 62 -10.075 -25.692 1.003 1.00 0.00 C ATOM 924 OG SER A 62 -10.219 -27.098 0.903 1.00 0.00 O ATOM 0 H SER A 62 -12.569 -25.741 1.108 1.00 0.00 H new ATOM 0 HA SER A 62 -10.882 -23.898 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.034 -25.417 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.331 -25.368 2.012 1.00 0.00 H new ATOM 0 HG SER A 62 -9.637 -27.534 1.560 1.00 0.00 H new ATOM 930 N ASP A 63 -10.804 -26.524 -1.866 1.00 0.00 N ATOM 931 CA ASP A 63 -10.427 -26.966 -3.204 1.00 0.00 C ATOM 932 C ASP A 63 -10.912 -25.976 -4.260 1.00 0.00 C ATOM 933 O ASP A 63 -10.135 -25.519 -5.098 1.00 0.00 O ATOM 934 CB ASP A 63 -11.002 -28.354 -3.487 1.00 0.00 C ATOM 935 CG ASP A 63 -11.133 -28.637 -4.971 1.00 0.00 C ATOM 936 OD1 ASP A 63 -10.280 -28.152 -5.744 1.00 0.00 O ATOM 937 OD2 ASP A 63 -12.087 -29.341 -5.359 1.00 0.00 O ATOM 0 H ASP A 63 -11.298 -27.225 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.339 -27.016 -3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.361 -29.109 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.981 -28.441 -3.016 1.00 0.00 H new ATOM 942 N GLU A 64 -12.200 -25.653 -4.214 1.00 0.00 N ATOM 943 CA GLU A 64 -12.788 -24.720 -5.167 1.00 0.00 C ATOM 944 C GLU A 64 -11.932 -23.463 -5.297 1.00 0.00 C ATOM 945 O GLU A 64 -11.586 -23.045 -6.403 1.00 0.00 O ATOM 946 CB GLU A 64 -14.207 -24.341 -4.736 1.00 0.00 C ATOM 947 CG GLU A 64 -15.256 -25.369 -5.126 1.00 0.00 C ATOM 948 CD GLU A 64 -16.668 -24.824 -5.036 1.00 0.00 C ATOM 949 OE1 GLU A 64 -17.013 -23.933 -5.841 1.00 0.00 O ATOM 950 OE2 GLU A 64 -17.428 -25.289 -4.160 1.00 0.00 O ATOM 0 H GLU A 64 -12.856 -26.024 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.831 -25.212 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.226 -24.207 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.469 -23.381 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.066 -25.709 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.165 -26.240 -4.477 1.00 0.00 H new ATOM 957 N LEU A 65 -11.593 -22.865 -4.160 1.00 0.00 N ATOM 958 CA LEU A 65 -10.777 -21.656 -4.145 1.00 0.00 C ATOM 959 C LEU A 65 -9.401 -21.920 -4.747 1.00 0.00 C ATOM 960 O LEU A 65 -8.888 -21.117 -5.526 1.00 0.00 O ATOM 961 CB LEU A 65 -10.630 -21.135 -2.715 1.00 0.00 C ATOM 962 CG LEU A 65 -9.570 -20.053 -2.501 1.00 0.00 C ATOM 963 CD1 LEU A 65 -9.959 -18.774 -3.227 1.00 0.00 C ATOM 964 CD2 LEU A 65 -9.372 -19.787 -1.016 1.00 0.00 C ATOM 0 H LEU A 65 -11.871 -23.198 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.278 -20.901 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.594 -20.741 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.397 -21.978 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.626 -20.408 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.193 -18.016 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.049 -18.975 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.914 -18.414 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.615 -19.015 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.312 -19.453 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.047 -20.703 -0.522 1.00 0.00 H new ATOM 976 N SER A 66 -8.808 -23.053 -4.382 1.00 0.00 N ATOM 977 CA SER A 66 -7.491 -23.422 -4.884 1.00 0.00 C ATOM 978 C SER A 66 -7.505 -23.552 -6.404 1.00 0.00 C ATOM 979 O SER A 66 -6.605 -23.065 -7.088 1.00 0.00 O ATOM 980 CB SER A 66 -7.032 -24.739 -4.253 1.00 0.00 C ATOM 981 OG SER A 66 -5.705 -25.055 -4.640 1.00 0.00 O ATOM 0 H SER A 66 -9.220 -23.731 -3.740 1.00 0.00 H new ATOM 0 HA SER A 66 -6.791 -22.632 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.090 -24.665 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.703 -25.543 -4.554 1.00 0.00 H new ATOM 0 HG SER A 66 -5.435 -25.900 -4.223 1.00 0.00 H new ATOM 987 N ARG A 67 -8.534 -24.212 -6.926 1.00 0.00 N ATOM 988 CA ARG A 67 -8.666 -24.407 -8.365 1.00 0.00 C ATOM 989 C ARG A 67 -9.256 -23.167 -9.029 1.00 0.00 C ATOM 990 O ARG A 67 -9.663 -23.206 -10.192 1.00 0.00 O ATOM 991 CB ARG A 67 -9.546 -25.624 -8.658 1.00 0.00 C ATOM 992 CG ARG A 67 -9.437 -26.125 -10.088 1.00 0.00 C ATOM 993 CD ARG A 67 -10.734 -26.766 -10.554 1.00 0.00 C ATOM 994 NE ARG A 67 -10.565 -27.494 -11.810 1.00 0.00 N ATOM 995 CZ ARG A 67 -10.381 -26.900 -12.984 1.00 0.00 C ATOM 996 NH1 ARG A 67 -10.344 -25.577 -13.063 1.00 0.00 N ATOM 997 NH2 ARG A 67 -10.235 -27.631 -14.082 1.00 0.00 N ATOM 0 H ARG A 67 -9.288 -24.621 -6.374 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.671 -24.580 -8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.273 -26.431 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.585 -25.369 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.183 -25.295 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.626 -26.849 -10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.098 -27.448 -9.786 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.494 -25.995 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.590 -28.513 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.457 -25.012 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.203 -25.124 -13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.264 -28.649 -14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.094 -27.175 -14.983 1.00 0.00 H new ATOM 1011 N HIS A 68 -9.301 -22.066 -8.284 1.00 0.00 N ATOM 1012 CA HIS A 68 -9.842 -20.815 -8.801 1.00 0.00 C ATOM 1013 C HIS A 68 -8.769 -19.732 -8.836 1.00 0.00 C ATOM 1014 O HIS A 68 -8.780 -18.860 -9.705 1.00 0.00 O ATOM 1015 CB HIS A 68 -11.022 -20.353 -7.945 1.00 0.00 C ATOM 1016 CG HIS A 68 -11.224 -18.868 -7.956 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -12.258 -18.254 -8.629 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -10.517 -17.875 -7.368 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -12.178 -16.947 -8.457 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -11.131 -16.690 -7.695 1.00 0.00 N ATOM 0 H HIS A 68 -8.969 -22.016 -7.321 1.00 0.00 H new ATOM 0 HA HIS A 68 -10.188 -20.991 -9.819 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -11.931 -20.838 -8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.867 -20.683 -6.918 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -12.974 -18.734 -9.175 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -9.635 -17.992 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -12.854 -16.213 -8.870 1.00 0.00 H new ATOM 1028 N ARG A 69 -7.842 -19.794 -7.884 1.00 0.00 N ATOM 1029 CA ARG A 69 -6.763 -18.817 -7.805 1.00 0.00 C ATOM 1030 C ARG A 69 -5.752 -19.031 -8.929 1.00 0.00 C ATOM 1031 O ARG A 69 -4.987 -18.129 -9.269 1.00 0.00 O ATOM 1032 CB ARG A 69 -6.061 -18.910 -6.449 1.00 0.00 C ATOM 1033 CG ARG A 69 -6.854 -18.292 -5.309 1.00 0.00 C ATOM 1034 CD ARG A 69 -5.937 -17.741 -4.228 1.00 0.00 C ATOM 1035 NE ARG A 69 -6.648 -17.512 -2.973 1.00 0.00 N ATOM 1036 CZ ARG A 69 -6.250 -16.644 -2.050 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -5.152 -15.925 -2.242 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -6.950 -16.492 -0.933 1.00 0.00 N ATOM 0 H ARG A 69 -7.817 -20.510 -7.158 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.197 -17.823 -7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.869 -19.958 -6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.092 -18.415 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.485 -17.492 -5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.518 -19.041 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.117 -18.438 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.494 -16.805 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.497 -18.048 -2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.612 -16.038 -3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.848 -15.259 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.795 -17.042 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.643 -15.825 -0.225 1.00 0.00 H new ATOM 1052 N ARG A 70 -5.756 -20.231 -9.499 1.00 0.00 N ATOM 1053 CA ARG A 70 -4.838 -20.564 -10.582 1.00 0.00 C ATOM 1054 C ARG A 70 -5.366 -20.052 -11.919 1.00 0.00 C ATOM 1055 O ARG A 70 -4.902 -20.465 -12.983 1.00 0.00 O ATOM 1056 CB ARG A 70 -4.626 -22.078 -10.652 1.00 0.00 C ATOM 1057 CG ARG A 70 -5.920 -22.872 -10.717 1.00 0.00 C ATOM 1058 CD ARG A 70 -5.653 -24.362 -10.857 1.00 0.00 C ATOM 1059 NE ARG A 70 -5.172 -24.952 -9.611 1.00 0.00 N ATOM 1060 CZ ARG A 70 -3.884 -25.104 -9.319 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -2.955 -24.713 -10.180 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -3.525 -25.650 -8.164 1.00 0.00 N ATOM 0 H ARG A 70 -6.384 -20.988 -9.230 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.884 -20.079 -10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.022 -22.312 -11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.057 -22.397 -9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.506 -22.689 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.517 -22.527 -11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.568 -24.866 -11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.916 -24.526 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.862 -25.264 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.228 -24.294 -11.069 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.968 -24.831 -9.953 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.237 -25.953 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.537 -25.766 -7.940 1.00 0.00 H new ATOM 1076 N THR A 71 -6.342 -19.151 -11.858 1.00 0.00 N ATOM 1077 CA THR A 71 -6.935 -18.583 -13.063 1.00 0.00 C ATOM 1078 C THR A 71 -6.490 -17.140 -13.267 1.00 0.00 C ATOM 1079 O THR A 71 -6.292 -16.695 -14.398 1.00 0.00 O ATOM 1080 CB THR A 71 -8.474 -18.632 -13.007 1.00 0.00 C ATOM 1081 OG1 THR A 71 -8.955 -17.755 -11.982 1.00 0.00 O ATOM 1082 CG2 THR A 71 -8.961 -20.048 -12.741 1.00 0.00 C ATOM 0 H THR A 71 -6.739 -18.799 -10.987 1.00 0.00 H new ATOM 0 HA THR A 71 -6.590 -19.188 -13.902 1.00 0.00 H new ATOM 0 HB THR A 71 -8.862 -18.308 -13.973 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.563 -18.012 -11.121 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.050 -20.058 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.618 -20.707 -13.539 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.564 -20.396 -11.787 1.00 0.00 H new ATOM 1090 N HIS A 72 -6.334 -16.412 -12.165 1.00 0.00 N ATOM 1091 CA HIS A 72 -5.910 -15.018 -12.224 1.00 0.00 C ATOM 1092 C HIS A 72 -4.524 -14.897 -12.849 1.00 0.00 C ATOM 1093 O HIS A 72 -4.114 -13.816 -13.271 1.00 0.00 O ATOM 1094 CB HIS A 72 -5.906 -14.404 -10.824 1.00 0.00 C ATOM 1095 CG HIS A 72 -7.265 -14.334 -10.197 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -8.344 -13.726 -10.803 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -7.716 -14.802 -9.010 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -9.400 -13.822 -10.017 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -9.046 -14.471 -8.922 1.00 0.00 N ATOM 0 H HIS A 72 -6.495 -16.765 -11.221 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.619 -14.475 -12.849 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -5.248 -14.989 -10.181 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -5.488 -13.399 -10.878 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -8.329 -13.273 -11.717 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.138 -15.336 -8.270 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.385 -13.436 -10.232 1.00 0.00 H new TER 1107 HIS A 72 HETATM 1108 ZN ZN A 300 -9.746 -11.173 9.101 1.00 0.00 ZN HETATM 1109 ZN ZN A 400 -10.341 -14.835 -7.372 1.00 0.00 ZN