USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 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 46 HIS : no HD1:sc= -0.0305 K(o=-0.031,f=-9.8!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 K(o=-0.031,f=-0.72) USER MOD Single : A 12 GLN : amide:sc= 0.672 K(o=0.67,f=-3.3!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0199) USER MOD Single : A 17 THR OG1 : rot -8:sc= -0.014 USER MOD Single : A 22 SER OG : rot 180:sc= 1.02 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0563) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 32 THR OG1 : rot 69:sc= 0.532 USER MOD Single : A 36 THR OG1 : rot 45:sc= 0.487 USER MOD Single : A 37 SER OG : rot 180:sc= 0.1 USER MOD Single : A 42 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-7.9!) USER MOD Single : A 45 SER OG : rot 80:sc= 1.27 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc=-2.54e-05 (180deg=-0.144) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 55 MET CE :methyl 171:sc= 0 (180deg=-0.0712) USER MOD Single : A 57 HIS : no HD1:sc= 0.328 K(o=0.33,f=-2.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00846 USER MOD Single : A 64 ASN : amide:sc= 0.202 K(o=0.2,f=-3.6!) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.38 F(o=-2.5,f=-1.4) USER MOD Single : A 70 THR OG1 : rot -53:sc= 0.766 USER MOD Single : A 71 SER OG : rot 180:sc= -0.168 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0587) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc=-0.00051 (180deg=-0.138) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.596 (180deg=0.596) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.473 0.652 -7.744 1.00 0.00 N ATOM 62 CA GLY A 5 12.474 -0.391 -7.926 1.00 0.00 C ATOM 63 C GLY A 5 12.226 -1.031 -6.562 1.00 0.00 C ATOM 64 O GLY A 5 11.194 -0.804 -5.929 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.551 0.028 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.823 -1.136 -8.641 1.00 0.00 H new ATOM 68 N ALA A 6 13.220 -1.804 -6.126 1.00 0.00 N ATOM 69 CA ALA A 6 13.318 -2.413 -4.814 1.00 0.00 C ATOM 70 C ALA A 6 13.650 -1.295 -3.827 1.00 0.00 C ATOM 71 O ALA A 6 14.405 -0.375 -4.155 1.00 0.00 O ATOM 72 CB ALA A 6 14.416 -3.479 -4.821 1.00 0.00 C ATOM 0 H ALA A 6 14.020 -2.030 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 6 12.386 -2.902 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.487 -3.935 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.175 -4.245 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.370 -3.017 -5.077 1.00 0.00 H new ATOM 78 N CYS A 7 13.063 -1.360 -2.636 1.00 0.00 N ATOM 79 CA CYS A 7 13.218 -0.384 -1.572 1.00 0.00 C ATOM 80 C CYS A 7 13.299 -1.106 -0.234 1.00 0.00 C ATOM 81 O CYS A 7 13.111 -2.318 -0.161 1.00 0.00 O ATOM 82 CB CYS A 7 12.014 0.567 -1.588 1.00 0.00 C ATOM 83 SG CYS A 7 10.426 -0.282 -1.418 1.00 0.00 S ATOM 0 H CYS A 7 12.442 -2.127 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 7 14.132 0.190 -1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.120 1.289 -0.778 1.00 0.00 H new ATOM 0 HB3 CYS A 7 12.018 1.131 -2.521 1.00 0.00 H new ATOM 88 N GLU A 8 13.591 -0.342 0.819 1.00 0.00 N ATOM 89 CA GLU A 8 13.615 -0.787 2.202 1.00 0.00 C ATOM 90 C GLU A 8 12.551 -0.020 2.997 1.00 0.00 C ATOM 91 O GLU A 8 11.944 -0.591 3.901 1.00 0.00 O ATOM 92 CB GLU A 8 15.023 -0.607 2.785 1.00 0.00 C ATOM 93 CG GLU A 8 15.154 -1.353 4.120 1.00 0.00 C ATOM 94 CD GLU A 8 16.483 -1.074 4.811 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.525 -1.269 4.149 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.424 -0.669 5.992 1.00 0.00 O ATOM 0 H GLU A 8 13.827 0.646 0.721 1.00 0.00 H new ATOM 0 HA GLU A 8 13.377 -1.849 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.765 -0.980 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.229 0.453 2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.336 -1.061 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.056 -2.425 3.946 1.00 0.00 H new ATOM 103 N ARG A 9 12.318 1.259 2.668 1.00 0.00 N ATOM 104 CA ARG A 9 11.313 2.081 3.328 1.00 0.00 C ATOM 105 C ARG A 9 10.732 3.130 2.377 1.00 0.00 C ATOM 106 O ARG A 9 11.363 3.468 1.371 1.00 0.00 O ATOM 107 CB ARG A 9 11.873 2.715 4.606 1.00 0.00 C ATOM 108 CG ARG A 9 13.034 3.707 4.412 1.00 0.00 C ATOM 109 CD ARG A 9 14.449 3.104 4.391 1.00 0.00 C ATOM 110 NE ARG A 9 14.690 2.044 5.386 1.00 0.00 N ATOM 111 CZ ARG A 9 14.470 2.086 6.710 1.00 0.00 C ATOM 112 NH1 ARG A 9 14.011 3.189 7.306 1.00 0.00 N ATOM 113 NH2 ARG A 9 14.713 0.996 7.442 1.00 0.00 N ATOM 0 H ARG A 9 12.828 1.748 1.932 1.00 0.00 H new ATOM 0 HA ARG A 9 10.490 1.430 3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.061 3.232 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.210 1.916 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.875 4.240 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.989 4.447 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.640 2.699 3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.171 3.904 4.553 1.00 0.00 H new ATOM 0 HE ARG A 9 15.071 1.170 5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.819 4.025 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.852 3.196 8.314 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.061 0.148 6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.551 1.011 8.449 1.00 0.00 H new ATOM 127 N ASP A 10 9.550 3.660 2.727 1.00 0.00 N ATOM 128 CA ASP A 10 8.781 4.622 1.936 1.00 0.00 C ATOM 129 C ASP A 10 9.621 5.791 1.425 1.00 0.00 C ATOM 130 O ASP A 10 9.345 6.298 0.341 1.00 0.00 O ATOM 131 CB ASP A 10 7.629 5.212 2.761 1.00 0.00 C ATOM 132 CG ASP A 10 6.399 4.334 2.935 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.337 3.199 2.417 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.481 4.811 3.636 1.00 0.00 O ATOM 0 H ASP A 10 9.089 3.418 3.604 1.00 0.00 H new ATOM 0 HA ASP A 10 8.408 4.056 1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.012 5.463 3.750 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.318 6.146 2.293 1.00 0.00 H new ATOM 139 N LEU A 11 10.609 6.246 2.204 1.00 0.00 N ATOM 140 CA LEU A 11 11.471 7.373 1.848 1.00 0.00 C ATOM 141 C LEU A 11 12.042 7.218 0.436 1.00 0.00 C ATOM 142 O LEU A 11 12.172 8.200 -0.289 1.00 0.00 O ATOM 143 CB LEU A 11 12.625 7.533 2.854 1.00 0.00 C ATOM 144 CG LEU A 11 12.270 8.160 4.215 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.779 9.607 4.082 1.00 0.00 C ATOM 146 CD2 LEU A 11 11.262 7.332 5.015 1.00 0.00 C ATOM 0 H LEU A 11 10.833 5.835 3.110 1.00 0.00 H new ATOM 0 HA LEU A 11 10.849 8.268 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.059 6.549 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.400 8.143 2.390 1.00 0.00 H new ATOM 0 HG LEU A 11 13.205 8.166 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.542 10.003 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.559 10.215 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.886 9.632 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.054 7.828 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.337 7.235 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.675 6.342 5.207 1.00 0.00 H new ATOM 158 N GLN A 12 12.393 5.992 0.041 1.00 0.00 N ATOM 159 CA GLN A 12 12.924 5.730 -1.286 1.00 0.00 C ATOM 160 C GLN A 12 11.910 6.007 -2.395 1.00 0.00 C ATOM 161 O GLN A 12 12.296 6.269 -3.530 1.00 0.00 O ATOM 162 CB GLN A 12 13.336 4.263 -1.362 1.00 0.00 C ATOM 163 CG GLN A 12 14.521 4.000 -0.433 1.00 0.00 C ATOM 164 CD GLN A 12 15.171 2.667 -0.716 1.00 0.00 C ATOM 165 OE1 GLN A 12 15.199 1.799 0.151 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.669 2.473 -1.926 1.00 0.00 N ATOM 0 H GLN A 12 12.316 5.164 0.631 1.00 0.00 H new ATOM 0 HA GLN A 12 13.771 6.399 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.496 3.627 -1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.603 4.005 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.257 4.795 -0.549 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.183 4.027 0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.627 3.219 -2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.095 1.577 -2.165 1.00 0.00 H new ATOM 175 N CYS A 13 10.626 5.927 -2.062 1.00 0.00 N ATOM 176 CA CYS A 13 9.514 5.995 -2.987 1.00 0.00 C ATOM 177 C CYS A 13 8.935 7.410 -2.968 1.00 0.00 C ATOM 178 O CYS A 13 8.970 8.112 -3.977 1.00 0.00 O ATOM 179 CB CYS A 13 8.516 4.902 -2.570 1.00 0.00 C ATOM 180 SG CYS A 13 9.231 3.267 -2.278 1.00 0.00 S ATOM 0 H CYS A 13 10.325 5.808 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 13 9.805 5.807 -4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.008 5.225 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.755 4.814 -3.346 1.00 0.00 H new ATOM 185 N GLY A 14 8.454 7.851 -1.804 1.00 0.00 N ATOM 186 CA GLY A 14 7.950 9.199 -1.585 1.00 0.00 C ATOM 187 C GLY A 14 6.458 9.346 -1.887 1.00 0.00 C ATOM 188 O GLY A 14 5.880 8.556 -2.633 1.00 0.00 O ATOM 0 H GLY A 14 8.405 7.264 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.133 9.484 -0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.510 9.894 -2.210 1.00 0.00 H new ATOM 192 N LYS A 15 5.845 10.378 -1.288 1.00 0.00 N ATOM 193 CA LYS A 15 4.439 10.741 -1.396 1.00 0.00 C ATOM 194 C LYS A 15 3.937 10.580 -2.831 1.00 0.00 C ATOM 195 O LYS A 15 4.321 11.325 -3.729 1.00 0.00 O ATOM 196 CB LYS A 15 4.222 12.173 -0.888 1.00 0.00 C ATOM 197 CG LYS A 15 4.466 12.284 0.624 1.00 0.00 C ATOM 198 CD LYS A 15 4.129 13.703 1.099 1.00 0.00 C ATOM 199 CE LYS A 15 4.238 13.840 2.623 1.00 0.00 C ATOM 200 NZ LYS A 15 5.612 13.617 3.105 1.00 0.00 N ATOM 0 H LYS A 15 6.357 11.016 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 15 3.858 10.063 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.893 12.851 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.204 12.490 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.852 11.557 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.506 12.051 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.803 14.415 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.118 13.960 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.907 14.835 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.567 13.125 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.652 13.786 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.895 12.637 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.260 14.271 2.621 1.00 0.00 H new ATOM 214 N GLY A 16 3.072 9.584 -3.007 1.00 0.00 N ATOM 215 CA GLY A 16 2.526 9.144 -4.285 1.00 0.00 C ATOM 216 C GLY A 16 2.779 7.643 -4.441 1.00 0.00 C ATOM 217 O GLY A 16 2.093 6.952 -5.194 1.00 0.00 O ATOM 0 H GLY A 16 2.717 9.036 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.457 9.353 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.993 9.692 -5.103 1.00 0.00 H new ATOM 221 N THR A 17 3.765 7.129 -3.705 1.00 0.00 N ATOM 222 CA THR A 17 4.135 5.733 -3.672 1.00 0.00 C ATOM 223 C THR A 17 4.467 5.366 -2.221 1.00 0.00 C ATOM 224 O THR A 17 4.572 6.245 -1.365 1.00 0.00 O ATOM 225 CB THR A 17 5.349 5.515 -4.600 1.00 0.00 C ATOM 226 OG1 THR A 17 6.402 6.380 -4.231 1.00 0.00 O ATOM 227 CG2 THR A 17 5.062 5.818 -6.070 1.00 0.00 C ATOM 0 H THR A 17 4.344 7.705 -3.095 1.00 0.00 H new ATOM 0 HA THR A 17 3.323 5.096 -4.023 1.00 0.00 H new ATOM 0 HB THR A 17 5.602 4.461 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.083 7.013 -3.555 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.961 5.642 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.262 5.169 -6.426 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.758 6.859 -6.174 1.00 0.00 H new ATOM 235 N CYS A 18 4.584 4.070 -1.943 1.00 0.00 N ATOM 236 CA CYS A 18 4.937 3.496 -0.657 1.00 0.00 C ATOM 237 C CYS A 18 5.858 2.302 -0.918 1.00 0.00 C ATOM 238 O CYS A 18 5.859 1.767 -2.027 1.00 0.00 O ATOM 239 CB CYS A 18 3.672 3.012 0.053 1.00 0.00 C ATOM 240 SG CYS A 18 3.212 1.342 -0.457 1.00 0.00 S ATOM 0 H CYS A 18 4.425 3.355 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 18 5.433 4.238 -0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.831 3.032 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.851 3.696 -0.161 1.00 0.00 H new ATOM 245 N CYS A 19 6.587 1.839 0.094 1.00 0.00 N ATOM 246 CA CYS A 19 7.482 0.695 -0.019 1.00 0.00 C ATOM 247 C CYS A 19 6.787 -0.577 0.488 1.00 0.00 C ATOM 248 O CYS A 19 6.918 -0.932 1.659 1.00 0.00 O ATOM 249 CB CYS A 19 8.757 1.011 0.760 1.00 0.00 C ATOM 250 SG CYS A 19 9.996 -0.277 0.612 1.00 0.00 S ATOM 0 H CYS A 19 6.571 2.254 1.026 1.00 0.00 H new ATOM 0 HA CYS A 19 7.745 0.509 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.173 1.952 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.509 1.152 1.812 1.00 0.00 H new ATOM 255 N ALA A 20 6.022 -1.255 -0.380 1.00 0.00 N ATOM 256 CA ALA A 20 5.237 -2.448 -0.035 1.00 0.00 C ATOM 257 C ALA A 20 5.923 -3.726 -0.514 1.00 0.00 C ATOM 258 O ALA A 20 6.728 -3.674 -1.436 1.00 0.00 O ATOM 259 CB ALA A 20 3.838 -2.349 -0.638 1.00 0.00 C ATOM 0 H ALA A 20 5.930 -0.984 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 20 5.160 -2.494 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.265 -3.238 -0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.335 -1.465 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.914 -2.273 -1.723 1.00 0.00 H new ATOM 265 N VAL A 21 5.620 -4.871 0.106 1.00 0.00 N ATOM 266 CA VAL A 21 6.264 -6.149 -0.210 1.00 0.00 C ATOM 267 C VAL A 21 6.150 -6.493 -1.705 1.00 0.00 C ATOM 268 O VAL A 21 5.213 -6.060 -2.371 1.00 0.00 O ATOM 269 CB VAL A 21 5.712 -7.267 0.703 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.422 -8.609 0.487 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.926 -6.906 2.178 1.00 0.00 C ATOM 0 H VAL A 21 4.919 -4.937 0.844 1.00 0.00 H new ATOM 0 HA VAL A 21 7.331 -6.057 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 21 4.656 -7.359 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.995 -9.358 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.292 -8.927 -0.547 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.485 -8.497 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.532 -7.703 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.992 -6.783 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.407 -5.975 2.404 1.00 0.00 H new ATOM 281 N SER A 22 7.116 -7.237 -2.255 1.00 0.00 N ATOM 282 CA SER A 22 7.036 -7.719 -3.632 1.00 0.00 C ATOM 283 C SER A 22 6.081 -8.918 -3.688 1.00 0.00 C ATOM 284 O SER A 22 6.056 -9.752 -2.785 1.00 0.00 O ATOM 285 CB SER A 22 8.435 -8.055 -4.183 1.00 0.00 C ATOM 286 OG SER A 22 8.381 -9.059 -5.192 1.00 0.00 O ATOM 0 H SER A 22 7.964 -7.518 -1.763 1.00 0.00 H new ATOM 0 HA SER A 22 6.637 -6.934 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.890 -7.153 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.075 -8.393 -3.368 1.00 0.00 H new ATOM 0 HG SER A 22 9.286 -9.244 -5.518 1.00 0.00 H new ATOM 292 N LEU A 23 5.274 -9.012 -4.746 1.00 0.00 N ATOM 293 CA LEU A 23 4.370 -10.139 -4.957 1.00 0.00 C ATOM 294 C LEU A 23 5.104 -11.319 -5.602 1.00 0.00 C ATOM 295 O LEU A 23 4.538 -12.405 -5.689 1.00 0.00 O ATOM 296 CB LEU A 23 3.165 -9.701 -5.812 1.00 0.00 C ATOM 297 CG LEU A 23 2.047 -9.078 -4.959 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.251 -7.569 -4.810 1.00 0.00 C ATOM 299 CD2 LEU A 23 0.676 -9.344 -5.585 1.00 0.00 C ATOM 0 H LEU A 23 5.230 -8.306 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 23 4.001 -10.473 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.495 -8.980 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.772 -10.562 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 23 2.088 -9.542 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.448 -7.151 -4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.209 -7.377 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.242 -7.102 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.100 -8.895 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.641 -8.908 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.509 -10.419 -5.653 1.00 0.00 H new ATOM 311 N TRP A 24 6.355 -11.123 -6.033 1.00 0.00 N ATOM 312 CA TRP A 24 7.128 -12.131 -6.749 1.00 0.00 C ATOM 313 C TRP A 24 8.218 -12.728 -5.865 1.00 0.00 C ATOM 314 O TRP A 24 8.546 -13.904 -6.000 1.00 0.00 O ATOM 315 CB TRP A 24 7.654 -11.496 -8.041 1.00 0.00 C ATOM 316 CG TRP A 24 6.534 -10.894 -8.835 1.00 0.00 C ATOM 317 CD1 TRP A 24 5.713 -11.586 -9.656 1.00 0.00 C ATOM 318 CD2 TRP A 24 5.920 -9.579 -8.676 1.00 0.00 C ATOM 319 NE1 TRP A 24 4.622 -10.812 -9.991 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.677 -9.580 -9.373 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.248 -8.412 -7.951 1.00 0.00 C ATOM 322 CZ2 TRP A 24 3.787 -8.498 -9.318 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.375 -7.308 -7.913 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.137 -7.359 -8.577 1.00 0.00 C ATOM 0 H TRP A 24 6.860 -10.249 -5.890 1.00 0.00 H new ATOM 0 HA TRP A 24 6.500 -12.980 -7.020 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.389 -10.728 -7.800 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.165 -12.250 -8.640 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.886 -12.595 -9.999 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.872 -11.111 -10.614 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.185 -8.366 -7.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.843 -8.541 -9.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.658 -6.418 -7.371 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.456 -6.523 -8.517 1.00 0.00 H new ATOM 335 N ILE A 25 8.769 -11.931 -4.946 1.00 0.00 N ATOM 336 CA ILE A 25 9.791 -12.379 -4.018 1.00 0.00 C ATOM 337 C ILE A 25 9.652 -11.583 -2.720 1.00 0.00 C ATOM 338 O ILE A 25 10.142 -10.461 -2.595 1.00 0.00 O ATOM 339 CB ILE A 25 11.184 -12.317 -4.671 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.292 -12.540 -3.629 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.402 -11.013 -5.444 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.610 -13.011 -4.252 1.00 0.00 C ATOM 0 H ILE A 25 8.511 -10.951 -4.830 1.00 0.00 H new ATOM 0 HA ILE A 25 9.659 -13.429 -3.759 1.00 0.00 H new ATOM 0 HB ILE A 25 11.235 -13.128 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.464 -11.611 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.956 -13.278 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.398 -11.015 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.654 -10.928 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.309 -10.167 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.354 -13.151 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.449 -13.955 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.966 -12.262 -4.960 1.00 0.00 H new ATOM 354 N LYS A 26 9.007 -12.200 -1.727 1.00 0.00 N ATOM 355 CA LYS A 26 8.749 -11.612 -0.417 1.00 0.00 C ATOM 356 C LYS A 26 10.029 -11.119 0.273 1.00 0.00 C ATOM 357 O LYS A 26 9.964 -10.349 1.230 1.00 0.00 O ATOM 358 CB LYS A 26 8.010 -12.621 0.481 1.00 0.00 C ATOM 359 CG LYS A 26 6.847 -13.381 -0.181 1.00 0.00 C ATOM 360 CD LYS A 26 5.853 -12.454 -0.895 1.00 0.00 C ATOM 361 CE LYS A 26 4.732 -13.238 -1.589 1.00 0.00 C ATOM 362 NZ LYS A 26 3.883 -13.962 -0.627 1.00 0.00 N ATOM 0 H LYS A 26 8.641 -13.148 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 26 8.119 -10.737 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.733 -13.350 0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.624 -12.090 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.249 -14.095 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.317 -13.956 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.418 -11.763 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.384 -11.852 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.116 -12.551 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.168 -13.947 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.081 -14.394 -1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.442 -14.706 -0.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.526 -13.298 0.090 1.00 0.00 H new ATOM 376 N SER A 27 11.201 -11.561 -0.198 1.00 0.00 N ATOM 377 CA SER A 27 12.479 -11.147 0.343 1.00 0.00 C ATOM 378 C SER A 27 12.702 -9.643 0.166 1.00 0.00 C ATOM 379 O SER A 27 13.491 -9.072 0.915 1.00 0.00 O ATOM 380 CB SER A 27 13.591 -11.958 -0.328 1.00 0.00 C ATOM 381 OG SER A 27 13.181 -13.307 -0.455 1.00 0.00 O ATOM 0 H SER A 27 11.278 -12.221 -0.972 1.00 0.00 H new ATOM 0 HA SER A 27 12.491 -11.340 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.818 -11.542 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.506 -11.899 0.262 1.00 0.00 H new ATOM 0 HG SER A 27 13.892 -13.826 -0.886 1.00 0.00 H new ATOM 387 N VAL A 28 12.030 -9.007 -0.804 1.00 0.00 N ATOM 388 CA VAL A 28 12.133 -7.576 -1.066 1.00 0.00 C ATOM 389 C VAL A 28 10.757 -6.909 -1.044 1.00 0.00 C ATOM 390 O VAL A 28 9.720 -7.564 -1.163 1.00 0.00 O ATOM 391 CB VAL A 28 12.842 -7.313 -2.414 1.00 0.00 C ATOM 392 CG1 VAL A 28 14.364 -7.354 -2.239 1.00 0.00 C ATOM 393 CG2 VAL A 28 12.434 -8.261 -3.538 1.00 0.00 C ATOM 0 H VAL A 28 11.390 -9.487 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 28 12.734 -7.136 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 28 12.517 -6.318 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.846 -7.167 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.669 -6.589 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.661 -8.335 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.979 -8.005 -4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.667 -9.287 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.363 -8.170 -3.720 1.00 0.00 H new ATOM 403 N ARG A 29 10.770 -5.583 -0.902 1.00 0.00 N ATOM 404 CA ARG A 29 9.625 -4.708 -1.016 1.00 0.00 C ATOM 405 C ARG A 29 9.984 -3.710 -2.120 1.00 0.00 C ATOM 406 O ARG A 29 11.165 -3.430 -2.326 1.00 0.00 O ATOM 407 CB ARG A 29 9.233 -4.094 0.342 1.00 0.00 C ATOM 408 CG ARG A 29 10.337 -3.480 1.202 1.00 0.00 C ATOM 409 CD ARG A 29 11.277 -4.453 1.918 1.00 0.00 C ATOM 410 NE ARG A 29 10.530 -5.571 2.511 1.00 0.00 N ATOM 411 CZ ARG A 29 10.951 -6.840 2.449 1.00 0.00 C ATOM 412 NH1 ARG A 29 12.261 -7.091 2.366 1.00 0.00 N ATOM 413 NH2 ARG A 29 10.058 -7.834 2.434 1.00 0.00 N ATOM 0 H ARG A 29 11.629 -5.074 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 29 8.713 -5.234 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.488 -3.321 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.746 -4.871 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.940 -2.830 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.868 -2.845 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.014 -4.837 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.827 -3.925 2.697 1.00 0.00 H new ATOM 0 HE ARG A 29 9.652 -5.371 2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.928 -6.320 2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.594 -8.054 2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.060 -7.624 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.374 -8.803 2.387 1.00 0.00 H new ATOM 427 N VAL A 30 8.989 -3.255 -2.885 1.00 0.00 N ATOM 428 CA VAL A 30 9.142 -2.395 -4.046 1.00 0.00 C ATOM 429 C VAL A 30 8.265 -1.148 -3.922 1.00 0.00 C ATOM 430 O VAL A 30 7.243 -1.149 -3.224 1.00 0.00 O ATOM 431 CB VAL A 30 8.799 -3.178 -5.330 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.813 -4.296 -5.601 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.387 -3.781 -5.290 1.00 0.00 C ATOM 0 H VAL A 30 8.014 -3.490 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 30 10.180 -2.067 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 30 8.841 -2.449 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.537 -4.824 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.807 -3.865 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.817 -4.995 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.196 -4.321 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.308 -4.467 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.653 -2.983 -5.178 1.00 0.00 H new ATOM 443 N CYS A 31 8.671 -0.076 -4.609 1.00 0.00 N ATOM 444 CA CYS A 31 7.925 1.173 -4.601 1.00 0.00 C ATOM 445 C CYS A 31 6.616 0.982 -5.359 1.00 0.00 C ATOM 446 O CYS A 31 6.577 1.014 -6.586 1.00 0.00 O ATOM 447 CB CYS A 31 8.744 2.342 -5.147 1.00 0.00 C ATOM 448 SG CYS A 31 10.138 2.832 -4.100 1.00 0.00 S ATOM 0 H CYS A 31 9.517 -0.055 -5.178 1.00 0.00 H new ATOM 0 HA CYS A 31 7.697 1.436 -3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.123 2.075 -6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.086 3.200 -5.280 1.00 0.00 H new ATOM 453 N THR A 32 5.546 0.775 -4.599 1.00 0.00 N ATOM 454 CA THR A 32 4.196 0.505 -5.059 1.00 0.00 C ATOM 455 C THR A 32 3.405 1.815 -4.977 1.00 0.00 C ATOM 456 O THR A 32 3.637 2.591 -4.053 1.00 0.00 O ATOM 457 CB THR A 32 3.639 -0.575 -4.116 1.00 0.00 C ATOM 458 OG1 THR A 32 4.543 -1.666 -4.088 1.00 0.00 O ATOM 459 CG2 THR A 32 2.261 -1.111 -4.509 1.00 0.00 C ATOM 0 H THR A 32 5.607 0.793 -3.581 1.00 0.00 H new ATOM 0 HA THR A 32 4.142 0.151 -6.088 1.00 0.00 H new ATOM 0 HB THR A 32 3.525 -0.097 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.368 -1.396 -3.633 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.946 -1.867 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.540 -0.293 -4.514 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.313 -1.555 -5.503 1.00 0.00 H new ATOM 467 N PRO A 33 2.506 2.122 -5.924 1.00 0.00 N ATOM 468 CA PRO A 33 1.725 3.349 -5.870 1.00 0.00 C ATOM 469 C PRO A 33 0.759 3.325 -4.683 1.00 0.00 C ATOM 470 O PRO A 33 0.419 2.251 -4.184 1.00 0.00 O ATOM 471 CB PRO A 33 0.979 3.415 -7.206 1.00 0.00 C ATOM 472 CG PRO A 33 0.857 1.948 -7.617 1.00 0.00 C ATOM 473 CD PRO A 33 2.155 1.332 -7.092 1.00 0.00 C ATOM 0 HA PRO A 33 2.352 4.229 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.001 3.884 -7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.531 3.995 -7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.021 1.477 -7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.767 1.838 -8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.016 0.283 -6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.942 1.371 -7.845 1.00 0.00 H new ATOM 481 N VAL A 34 0.328 4.503 -4.212 1.00 0.00 N ATOM 482 CA VAL A 34 -0.713 4.556 -3.184 1.00 0.00 C ATOM 483 C VAL A 34 -1.953 3.824 -3.715 1.00 0.00 C ATOM 484 O VAL A 34 -2.210 3.810 -4.922 1.00 0.00 O ATOM 485 CB VAL A 34 -1.097 5.999 -2.794 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.250 6.561 -1.649 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.039 6.962 -3.981 1.00 0.00 C ATOM 0 H VAL A 34 0.676 5.411 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.322 4.079 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.128 5.923 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.571 7.578 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.375 5.937 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.800 6.568 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.318 7.963 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.027 6.982 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.731 6.628 -4.754 1.00 0.00 H new ATOM 497 N GLY A 35 -2.733 3.233 -2.807 1.00 0.00 N ATOM 498 CA GLY A 35 -3.940 2.510 -3.156 1.00 0.00 C ATOM 499 C GLY A 35 -4.863 3.428 -3.955 1.00 0.00 C ATOM 500 O GLY A 35 -5.420 4.380 -3.414 1.00 0.00 O ATOM 0 H GLY A 35 -2.537 3.247 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.691 1.625 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.444 2.164 -2.254 1.00 0.00 H new ATOM 504 N THR A 36 -5.000 3.164 -5.250 1.00 0.00 N ATOM 505 CA THR A 36 -5.788 3.975 -6.163 1.00 0.00 C ATOM 506 C THR A 36 -7.150 3.302 -6.349 1.00 0.00 C ATOM 507 O THR A 36 -7.290 2.110 -6.087 1.00 0.00 O ATOM 508 CB THR A 36 -4.982 4.131 -7.461 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.717 4.691 -7.149 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.659 5.053 -8.478 1.00 0.00 C ATOM 0 H THR A 36 -4.556 2.364 -5.701 1.00 0.00 H new ATOM 0 HA THR A 36 -5.986 4.978 -5.784 1.00 0.00 H new ATOM 0 HB THR A 36 -4.899 3.139 -7.905 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.342 4.236 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.041 5.123 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.636 4.648 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.782 6.045 -8.044 1.00 0.00 H new ATOM 518 N SER A 37 -8.162 4.072 -6.755 1.00 0.00 N ATOM 519 CA SER A 37 -9.539 3.647 -6.949 1.00 0.00 C ATOM 520 C SER A 37 -9.670 2.224 -7.506 1.00 0.00 C ATOM 521 O SER A 37 -9.307 1.978 -8.654 1.00 0.00 O ATOM 522 CB SER A 37 -10.192 4.671 -7.880 1.00 0.00 C ATOM 523 OG SER A 37 -9.839 5.971 -7.437 1.00 0.00 O ATOM 0 H SER A 37 -8.030 5.061 -6.967 1.00 0.00 H new ATOM 0 HA SER A 37 -10.041 3.608 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.858 4.517 -8.906 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.275 4.550 -7.876 1.00 0.00 H new ATOM 0 HG SER A 37 -10.249 6.639 -8.025 1.00 0.00 H new ATOM 529 N GLY A 38 -10.184 1.296 -6.693 1.00 0.00 N ATOM 530 CA GLY A 38 -10.406 -0.094 -7.066 1.00 0.00 C ATOM 531 C GLY A 38 -9.323 -1.036 -6.537 1.00 0.00 C ATOM 532 O GLY A 38 -9.603 -2.212 -6.310 1.00 0.00 O ATOM 0 H GLY A 38 -10.463 1.502 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.376 -0.416 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.447 -0.171 -8.153 1.00 0.00 H new ATOM 536 N GLU A 39 -8.093 -0.554 -6.342 1.00 0.00 N ATOM 537 CA GLU A 39 -7.009 -1.385 -5.839 1.00 0.00 C ATOM 538 C GLU A 39 -7.271 -1.789 -4.388 1.00 0.00 C ATOM 539 O GLU A 39 -7.955 -1.081 -3.647 1.00 0.00 O ATOM 540 CB GLU A 39 -5.667 -0.651 -5.944 1.00 0.00 C ATOM 541 CG GLU A 39 -5.320 -0.282 -7.393 1.00 0.00 C ATOM 542 CD GLU A 39 -3.929 0.338 -7.497 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.613 1.171 -6.619 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.211 -0.026 -8.452 1.00 0.00 O ATOM 0 H GLU A 39 -7.827 0.413 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.962 -2.285 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.702 0.255 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.878 -1.280 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.369 -1.174 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.061 0.418 -7.778 1.00 0.00 H new ATOM 551 N ASP A 40 -6.712 -2.933 -3.986 1.00 0.00 N ATOM 552 CA ASP A 40 -6.836 -3.438 -2.629 1.00 0.00 C ATOM 553 C ASP A 40 -6.025 -2.574 -1.661 1.00 0.00 C ATOM 554 O ASP A 40 -5.044 -1.944 -2.058 1.00 0.00 O ATOM 555 CB ASP A 40 -6.387 -4.901 -2.558 1.00 0.00 C ATOM 556 CG ASP A 40 -7.364 -5.819 -3.282 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.170 -6.004 -4.503 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.298 -6.306 -2.608 1.00 0.00 O ATOM 0 H ASP A 40 -6.160 -3.532 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.884 -3.389 -2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.396 -5.001 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.303 -5.207 -1.515 1.00 0.00 H new ATOM 563 N CYS A 41 -6.417 -2.569 -0.386 1.00 0.00 N ATOM 564 CA CYS A 41 -5.728 -1.871 0.692 1.00 0.00 C ATOM 565 C CYS A 41 -5.753 -2.733 1.940 1.00 0.00 C ATOM 566 O CYS A 41 -6.632 -3.577 2.103 1.00 0.00 O ATOM 567 CB CYS A 41 -6.337 -0.490 0.966 1.00 0.00 C ATOM 568 SG CYS A 41 -6.423 0.058 2.691 1.00 0.00 S ATOM 0 H CYS A 41 -7.249 -3.067 -0.069 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.696 -1.700 0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.762 0.248 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.348 -0.481 0.559 1.00 0.00 H new ATOM 573 N HIS A 42 -4.794 -2.480 2.827 1.00 0.00 N ATOM 574 CA HIS A 42 -4.718 -3.156 4.111 1.00 0.00 C ATOM 575 C HIS A 42 -5.340 -2.210 5.137 1.00 0.00 C ATOM 576 O HIS A 42 -4.901 -1.063 5.220 1.00 0.00 O ATOM 577 CB HIS A 42 -3.257 -3.443 4.478 1.00 0.00 C ATOM 578 CG HIS A 42 -3.124 -4.456 5.576 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.664 -4.251 6.844 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.547 -5.694 5.528 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.357 -5.365 7.516 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.688 -6.261 6.775 1.00 0.00 N ATOM 0 H HIS A 42 -4.050 -1.800 2.672 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.243 -4.111 4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.728 -3.800 3.594 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.775 -2.515 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.069 -6.144 4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.621 -5.527 8.551 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.352 -7.176 7.074 1.00 0.00 H new ATOM 590 N PRO A 43 -6.344 -2.615 5.927 1.00 0.00 N ATOM 591 CA PRO A 43 -6.936 -1.715 6.904 1.00 0.00 C ATOM 592 C PRO A 43 -5.884 -1.180 7.889 1.00 0.00 C ATOM 593 O PRO A 43 -6.072 -0.099 8.440 1.00 0.00 O ATOM 594 CB PRO A 43 -8.036 -2.525 7.597 1.00 0.00 C ATOM 595 CG PRO A 43 -7.610 -3.978 7.383 1.00 0.00 C ATOM 596 CD PRO A 43 -6.934 -3.940 6.014 1.00 0.00 C ATOM 0 HA PRO A 43 -7.352 -0.824 6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.105 -2.281 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.015 -2.327 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.926 -4.317 8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.464 -4.655 7.393 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.175 -4.717 5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.654 -4.106 5.213 1.00 0.00 H new ATOM 604 N ALA A 44 -4.768 -1.899 8.090 1.00 0.00 N ATOM 605 CA ALA A 44 -3.671 -1.466 8.949 1.00 0.00 C ATOM 606 C ALA A 44 -2.525 -0.861 8.124 1.00 0.00 C ATOM 607 O ALA A 44 -1.377 -0.887 8.566 1.00 0.00 O ATOM 608 CB ALA A 44 -3.177 -2.654 9.780 1.00 0.00 C ATOM 0 H ALA A 44 -4.607 -2.806 7.653 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.035 -0.687 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.357 -2.333 10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.993 -3.032 10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.828 -3.444 9.114 1.00 0.00 H new ATOM 614 N SER A 45 -2.814 -0.331 6.929 1.00 0.00 N ATOM 615 CA SER A 45 -1.827 0.322 6.087 1.00 0.00 C ATOM 616 C SER A 45 -1.127 1.435 6.867 1.00 0.00 C ATOM 617 O SER A 45 -1.763 2.407 7.268 1.00 0.00 O ATOM 618 CB SER A 45 -2.521 0.939 4.875 1.00 0.00 C ATOM 619 OG SER A 45 -2.806 -0.025 3.887 1.00 0.00 O ATOM 0 H SER A 45 -3.750 -0.348 6.524 1.00 0.00 H new ATOM 0 HA SER A 45 -1.094 -0.418 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.447 1.419 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.887 1.718 4.451 1.00 0.00 H new ATOM 0 HG SER A 45 -3.616 -0.518 4.135 1.00 0.00 H new ATOM 625 N HIS A 46 0.189 1.319 7.039 1.00 0.00 N ATOM 626 CA HIS A 46 0.974 2.282 7.798 1.00 0.00 C ATOM 627 C HIS A 46 0.925 3.665 7.171 1.00 0.00 C ATOM 628 O HIS A 46 0.870 3.797 5.944 1.00 0.00 O ATOM 629 CB HIS A 46 2.447 1.873 7.905 1.00 0.00 C ATOM 630 CG HIS A 46 2.667 0.398 7.820 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.488 -0.290 6.616 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.852 -0.485 8.838 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.586 -1.576 6.970 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.839 -1.747 8.278 1.00 0.00 N ATOM 0 H HIS A 46 0.739 0.551 6.654 1.00 0.00 H new ATOM 0 HA HIS A 46 0.526 2.303 8.791 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.010 2.362 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.849 2.238 8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.984 -0.245 9.883 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.473 -2.394 6.274 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.991 -2.632 8.761 1.00 0.00 H new ATOM 642 N LYS A 47 1.057 4.673 8.024 1.00 0.00 N ATOM 643 CA LYS A 47 1.088 6.069 7.617 1.00 0.00 C ATOM 644 C LYS A 47 2.276 6.288 6.672 1.00 0.00 C ATOM 645 O LYS A 47 3.291 5.606 6.793 1.00 0.00 O ATOM 646 CB LYS A 47 1.118 6.933 8.894 1.00 0.00 C ATOM 647 CG LYS A 47 1.814 8.301 8.815 1.00 0.00 C ATOM 648 CD LYS A 47 3.338 8.174 8.993 1.00 0.00 C ATOM 649 CE LYS A 47 4.001 9.533 9.242 1.00 0.00 C ATOM 650 NZ LYS A 47 3.657 10.089 10.563 1.00 0.00 N ATOM 0 H LYS A 47 1.147 4.540 9.031 1.00 0.00 H new ATOM 0 HA LYS A 47 0.203 6.363 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.088 7.098 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.604 6.354 9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.597 8.765 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.411 8.960 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.551 7.508 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.770 7.717 8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.083 9.426 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.694 10.233 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.289 10.886 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.671 10.421 10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.768 9.353 11.289 1.00 0.00 H new ATOM 664 N ILE A 48 2.139 7.194 5.701 1.00 0.00 N ATOM 665 CA ILE A 48 3.220 7.583 4.799 1.00 0.00 C ATOM 666 C ILE A 48 3.827 8.861 5.394 1.00 0.00 C ATOM 667 O ILE A 48 3.063 9.749 5.775 1.00 0.00 O ATOM 668 CB ILE A 48 2.674 7.826 3.372 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.257 6.484 2.744 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.709 8.516 2.464 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.601 6.622 1.367 1.00 0.00 C ATOM 0 H ILE A 48 1.262 7.683 5.519 1.00 0.00 H new ATOM 0 HA ILE A 48 3.974 6.801 4.709 1.00 0.00 H new ATOM 0 HB ILE A 48 1.813 8.489 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.137 5.847 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.564 5.979 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.281 8.666 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.982 9.481 2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.598 7.890 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.335 5.634 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.702 7.232 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.298 7.098 0.678 1.00 0.00 H new ATOM 683 N PRO A 49 5.159 9.009 5.467 1.00 0.00 N ATOM 684 CA PRO A 49 6.173 8.028 5.110 1.00 0.00 C ATOM 685 C PRO A 49 6.423 7.049 6.265 1.00 0.00 C ATOM 686 O PRO A 49 6.596 7.465 7.410 1.00 0.00 O ATOM 687 CB PRO A 49 7.426 8.861 4.828 1.00 0.00 C ATOM 688 CG PRO A 49 7.286 10.054 5.774 1.00 0.00 C ATOM 689 CD PRO A 49 5.774 10.279 5.820 1.00 0.00 C ATOM 0 HA PRO A 49 5.874 7.419 4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.336 8.296 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.470 9.179 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.692 9.836 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.814 10.931 5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.459 10.600 6.813 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.476 11.062 5.122 1.00 0.00 H new ATOM 697 N PHE A 50 6.493 5.752 5.958 1.00 0.00 N ATOM 698 CA PHE A 50 6.787 4.699 6.916 1.00 0.00 C ATOM 699 C PHE A 50 8.270 4.354 6.793 1.00 0.00 C ATOM 700 O PHE A 50 8.702 3.727 5.823 1.00 0.00 O ATOM 701 CB PHE A 50 5.919 3.469 6.639 1.00 0.00 C ATOM 702 CG PHE A 50 5.999 2.430 7.739 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.477 2.726 9.012 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.667 1.212 7.524 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.587 1.791 10.055 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.786 0.283 8.571 1.00 0.00 C ATOM 707 CZ PHE A 50 6.238 0.566 9.834 1.00 0.00 C ATOM 0 H PHE A 50 6.342 5.403 5.012 1.00 0.00 H new ATOM 0 HA PHE A 50 6.565 5.035 7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.882 3.782 6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.228 3.017 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.991 3.674 9.188 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.088 0.991 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.171 2.014 11.026 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.300 -0.652 8.405 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.317 -0.157 10.633 1.00 0.00 H new ATOM 717 N SER A 51 9.056 4.772 7.788 1.00 0.00 N ATOM 718 CA SER A 51 10.504 4.610 7.816 1.00 0.00 C ATOM 719 C SER A 51 10.944 3.182 8.163 1.00 0.00 C ATOM 720 O SER A 51 11.803 3.000 9.027 1.00 0.00 O ATOM 721 CB SER A 51 11.091 5.630 8.798 1.00 0.00 C ATOM 722 OG SER A 51 10.702 6.941 8.433 1.00 0.00 O ATOM 0 H SER A 51 8.690 5.244 8.615 1.00 0.00 H new ATOM 0 HA SER A 51 10.887 4.793 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.749 5.410 9.809 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.178 5.554 8.805 1.00 0.00 H new ATOM 0 HG SER A 51 11.081 7.584 9.068 1.00 0.00 H new ATOM 728 N GLY A 52 10.403 2.174 7.478 1.00 0.00 N ATOM 729 CA GLY A 52 10.764 0.783 7.696 1.00 0.00 C ATOM 730 C GLY A 52 10.092 -0.102 6.654 1.00 0.00 C ATOM 731 O GLY A 52 9.405 0.401 5.766 1.00 0.00 O ATOM 0 H GLY A 52 9.698 2.306 6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.846 0.667 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.462 0.473 8.697 1.00 0.00 H new ATOM 735 N GLN A 53 10.252 -1.421 6.787 1.00 0.00 N ATOM 736 CA GLN A 53 9.642 -2.372 5.873 1.00 0.00 C ATOM 737 C GLN A 53 8.178 -2.514 6.276 1.00 0.00 C ATOM 738 O GLN A 53 7.884 -2.814 7.430 1.00 0.00 O ATOM 739 CB GLN A 53 10.337 -3.737 5.960 1.00 0.00 C ATOM 740 CG GLN A 53 11.841 -3.661 5.667 1.00 0.00 C ATOM 741 CD GLN A 53 12.449 -5.049 5.475 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.847 -6.060 5.820 1.00 0.00 O ATOM 743 NE2 GLN A 53 13.658 -5.118 4.925 1.00 0.00 N ATOM 0 H GLN A 53 10.805 -1.851 7.528 1.00 0.00 H new ATOM 0 HA GLN A 53 9.736 -2.017 4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.187 -4.153 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.869 -4.423 5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.008 -3.063 4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.347 -3.152 6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.141 -4.264 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.103 -6.025 4.783 1.00 0.00 H new ATOM 752 N ARG A 54 7.256 -2.295 5.340 1.00 0.00 N ATOM 753 CA ARG A 54 5.829 -2.339 5.634 1.00 0.00 C ATOM 754 C ARG A 54 5.337 -3.747 5.976 1.00 0.00 C ATOM 755 O ARG A 54 4.418 -3.902 6.775 1.00 0.00 O ATOM 756 CB ARG A 54 5.054 -1.751 4.451 1.00 0.00 C ATOM 757 CG ARG A 54 5.220 -0.228 4.437 1.00 0.00 C ATOM 758 CD ARG A 54 4.354 0.406 3.349 1.00 0.00 C ATOM 759 NE ARG A 54 4.234 1.855 3.563 1.00 0.00 N ATOM 760 CZ ARG A 54 3.209 2.451 4.193 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.226 1.729 4.735 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.158 3.774 4.317 1.00 0.00 N ATOM 0 H ARG A 54 7.476 -2.084 4.367 1.00 0.00 H new ATOM 0 HA ARG A 54 5.649 -1.738 6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.419 -2.176 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.998 -2.012 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.946 0.180 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.266 0.026 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.791 0.212 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.364 -0.051 3.352 1.00 0.00 H new ATOM 0 HE ARG A 54 4.982 2.450 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.247 0.711 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.453 2.195 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.905 4.352 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.372 4.211 4.799 1.00 0.00 H new ATOM 776 N MET A 55 5.917 -4.771 5.345 1.00 0.00 N ATOM 777 CA MET A 55 5.532 -6.164 5.513 1.00 0.00 C ATOM 778 C MET A 55 4.092 -6.446 5.046 1.00 0.00 C ATOM 779 O MET A 55 3.550 -7.508 5.339 1.00 0.00 O ATOM 780 CB MET A 55 5.800 -6.648 6.943 1.00 0.00 C ATOM 781 CG MET A 55 7.221 -6.329 7.429 1.00 0.00 C ATOM 782 SD MET A 55 7.675 -7.032 9.036 1.00 0.00 S ATOM 783 CE MET A 55 7.834 -8.779 8.600 1.00 0.00 C ATOM 0 H MET A 55 6.687 -4.645 4.687 1.00 0.00 H new ATOM 0 HA MET A 55 6.169 -6.753 4.853 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.079 -6.186 7.618 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.638 -7.725 6.992 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.930 -6.687 6.683 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.333 -5.246 7.481 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.263 -9.326 9.439 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.850 -9.187 8.366 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.484 -8.879 7.731 1.00 0.00 H new ATOM 793 N HIS A 56 3.487 -5.522 4.286 1.00 0.00 N ATOM 794 CA HIS A 56 2.175 -5.661 3.665 1.00 0.00 C ATOM 795 C HIS A 56 2.368 -5.392 2.171 1.00 0.00 C ATOM 796 O HIS A 56 3.293 -4.671 1.788 1.00 0.00 O ATOM 797 CB HIS A 56 1.155 -4.658 4.234 1.00 0.00 C ATOM 798 CG HIS A 56 0.812 -4.779 5.696 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.218 -3.711 6.368 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.944 -5.827 6.569 1.00 0.00 C ATOM 801 CE1 HIS A 56 0.059 -4.134 7.623 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.483 -5.396 7.797 1.00 0.00 N ATOM 0 H HIS A 56 3.922 -4.622 4.083 1.00 0.00 H new ATOM 0 HA HIS A 56 1.782 -6.659 3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.537 -3.652 4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.232 -4.753 3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.335 -6.807 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.364 -3.529 8.411 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.468 -5.931 8.665 1.00 0.00 H new ATOM 810 N HIS A 57 1.513 -5.980 1.332 1.00 0.00 N ATOM 811 CA HIS A 57 1.532 -5.787 -0.115 1.00 0.00 C ATOM 812 C HIS A 57 0.688 -4.592 -0.521 1.00 0.00 C ATOM 813 O HIS A 57 1.047 -3.833 -1.417 1.00 0.00 O ATOM 814 CB HIS A 57 0.918 -7.004 -0.812 1.00 0.00 C ATOM 815 CG HIS A 57 1.864 -8.152 -0.937 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.600 -9.379 -0.347 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.015 -8.242 -1.663 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.618 -10.144 -0.736 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.521 -9.506 -1.493 1.00 0.00 N ATOM 0 H HIS A 57 0.777 -6.613 1.646 1.00 0.00 H new ATOM 0 HA HIS A 57 2.572 -5.637 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.038 -7.327 -0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.578 -6.712 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.451 -7.458 -2.265 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.708 -11.186 -0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.395 -9.879 -1.863 1.00 0.00 H new ATOM 827 N THR A 58 -0.468 -4.458 0.122 1.00 0.00 N ATOM 828 CA THR A 58 -1.460 -3.477 -0.240 1.00 0.00 C ATOM 829 C THR A 58 -1.301 -2.292 0.705 1.00 0.00 C ATOM 830 O THR A 58 -1.260 -2.476 1.920 1.00 0.00 O ATOM 831 CB THR A 58 -2.824 -4.154 -0.157 1.00 0.00 C ATOM 832 OG1 THR A 58 -3.118 -4.494 1.180 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.837 -5.471 -0.952 1.00 0.00 C ATOM 0 H THR A 58 -0.736 -5.039 0.917 1.00 0.00 H new ATOM 0 HA THR A 58 -1.348 -3.096 -1.255 1.00 0.00 H new ATOM 0 HB THR A 58 -3.553 -3.452 -0.562 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.996 -4.926 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.822 -5.932 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.612 -5.266 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.086 -6.149 -0.546 1.00 0.00 H new ATOM 841 N CYS A 59 -1.217 -1.096 0.131 1.00 0.00 N ATOM 842 CA CYS A 59 -0.841 0.132 0.827 1.00 0.00 C ATOM 843 C CYS A 59 -2.024 1.056 1.095 1.00 0.00 C ATOM 844 O CYS A 59 -3.134 0.744 0.661 1.00 0.00 O ATOM 845 CB CYS A 59 0.288 0.788 0.025 1.00 0.00 C ATOM 846 SG CYS A 59 1.835 0.749 0.951 1.00 0.00 S ATOM 0 H CYS A 59 -1.414 -0.949 -0.859 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.481 -0.103 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.414 0.269 -0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.024 1.820 -0.207 1.00 0.00 H new ATOM 851 N PRO A 60 -1.824 2.181 1.811 1.00 0.00 N ATOM 852 CA PRO A 60 -2.928 3.053 2.149 1.00 0.00 C ATOM 853 C PRO A 60 -3.495 3.695 0.891 1.00 0.00 C ATOM 854 O PRO A 60 -2.789 3.928 -0.092 1.00 0.00 O ATOM 855 CB PRO A 60 -2.397 4.095 3.137 1.00 0.00 C ATOM 856 CG PRO A 60 -0.898 4.124 2.858 1.00 0.00 C ATOM 857 CD PRO A 60 -0.570 2.731 2.313 1.00 0.00 C ATOM 0 HA PRO A 60 -3.746 2.499 2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.854 5.071 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.607 3.813 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.646 4.900 2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.332 4.337 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.174 2.790 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.153 2.096 3.095 1.00 0.00 H new ATOM 865 N CYS A 61 -4.795 3.960 0.945 1.00 0.00 N ATOM 866 CA CYS A 61 -5.544 4.575 -0.129 1.00 0.00 C ATOM 867 C CYS A 61 -5.082 6.011 -0.329 1.00 0.00 C ATOM 868 O CYS A 61 -4.709 6.684 0.633 1.00 0.00 O ATOM 869 CB CYS A 61 -7.033 4.481 0.191 1.00 0.00 C ATOM 870 SG CYS A 61 -7.632 2.798 0.427 1.00 0.00 S ATOM 0 H CYS A 61 -5.367 3.745 1.762 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.367 4.052 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.236 5.057 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.597 4.946 -0.618 1.00 0.00 H new ATOM 875 N ALA A 62 -5.074 6.471 -1.583 1.00 0.00 N ATOM 876 CA ALA A 62 -4.713 7.842 -1.903 1.00 0.00 C ATOM 877 C ALA A 62 -5.600 8.782 -1.071 1.00 0.00 C ATOM 878 O ALA A 62 -6.748 8.426 -0.816 1.00 0.00 O ATOM 879 CB ALA A 62 -4.892 8.080 -3.405 1.00 0.00 C ATOM 0 H ALA A 62 -5.317 5.903 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.669 8.037 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.621 9.108 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.250 7.396 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.932 7.905 -3.680 1.00 0.00 H new ATOM 885 N PRO A 63 -5.110 9.962 -0.655 1.00 0.00 N ATOM 886 CA PRO A 63 -5.836 10.912 0.188 1.00 0.00 C ATOM 887 C PRO A 63 -7.341 11.059 -0.085 1.00 0.00 C ATOM 888 O PRO A 63 -8.138 11.106 0.847 1.00 0.00 O ATOM 889 CB PRO A 63 -5.086 12.234 0.016 1.00 0.00 C ATOM 890 CG PRO A 63 -3.640 11.765 -0.146 1.00 0.00 C ATOM 891 CD PRO A 63 -3.778 10.473 -0.956 1.00 0.00 C ATOM 0 HA PRO A 63 -5.844 10.544 1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.434 12.789 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.208 12.887 0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.033 12.505 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.164 11.586 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.664 10.665 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.009 9.752 -0.678 1.00 0.00 H new ATOM 899 N ASN A 64 -7.739 11.143 -1.356 1.00 0.00 N ATOM 900 CA ASN A 64 -9.131 11.316 -1.775 1.00 0.00 C ATOM 901 C ASN A 64 -10.036 10.117 -1.461 1.00 0.00 C ATOM 902 O ASN A 64 -11.256 10.231 -1.568 1.00 0.00 O ATOM 903 CB ASN A 64 -9.186 11.501 -3.301 1.00 0.00 C ATOM 904 CG ASN A 64 -8.236 12.565 -3.834 1.00 0.00 C ATOM 905 OD1 ASN A 64 -7.022 12.445 -3.687 1.00 0.00 O ATOM 906 ND2 ASN A 64 -8.766 13.593 -4.487 1.00 0.00 N ATOM 0 H ASN A 64 -7.088 11.091 -2.140 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.492 12.181 -1.219 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.954 10.550 -3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.205 11.762 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.161 14.312 -4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.778 13.664 -4.592 1.00 0.00 H new ATOM 913 N LEU A 65 -9.451 8.956 -1.168 1.00 0.00 N ATOM 914 CA LEU A 65 -10.132 7.676 -1.049 1.00 0.00 C ATOM 915 C LEU A 65 -10.124 7.139 0.386 1.00 0.00 C ATOM 916 O LEU A 65 -9.416 7.655 1.248 1.00 0.00 O ATOM 917 CB LEU A 65 -9.387 6.688 -1.958 1.00 0.00 C ATOM 918 CG LEU A 65 -9.047 7.188 -3.370 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.310 6.083 -4.125 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.288 7.581 -4.161 1.00 0.00 C ATOM 0 H LEU A 65 -8.447 8.883 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.176 7.800 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.459 6.401 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.991 5.785 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.425 8.077 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.065 6.430 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.392 5.829 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.947 5.201 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.993 7.927 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.946 6.717 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.814 8.380 -3.639 1.00 0.00 H new ATOM 932 N ALA A 66 -10.887 6.066 0.624 1.00 0.00 N ATOM 933 CA ALA A 66 -10.990 5.362 1.894 1.00 0.00 C ATOM 934 C ALA A 66 -10.917 3.851 1.643 1.00 0.00 C ATOM 935 O ALA A 66 -11.296 3.372 0.572 1.00 0.00 O ATOM 936 CB ALA A 66 -12.293 5.746 2.597 1.00 0.00 C ATOM 0 H ALA A 66 -11.473 5.651 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.162 5.645 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.364 5.216 3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.305 6.821 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.140 5.476 1.966 1.00 0.00 H new ATOM 942 N CYS A 67 -10.399 3.114 2.634 1.00 0.00 N ATOM 943 CA CYS A 67 -10.199 1.667 2.597 1.00 0.00 C ATOM 944 C CYS A 67 -11.482 0.958 3.031 1.00 0.00 C ATOM 945 O CYS A 67 -11.660 0.684 4.217 1.00 0.00 O ATOM 946 CB CYS A 67 -9.036 1.306 3.534 1.00 0.00 C ATOM 947 SG CYS A 67 -8.364 -0.353 3.319 1.00 0.00 S ATOM 0 H CYS A 67 -10.097 3.529 3.516 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.957 1.346 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.233 2.028 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.374 1.413 4.565 1.00 0.00 H new ATOM 952 N VAL A 68 -12.386 0.660 2.096 1.00 0.00 N ATOM 953 CA VAL A 68 -13.672 0.064 2.384 1.00 0.00 C ATOM 954 C VAL A 68 -13.669 -1.442 2.123 1.00 0.00 C ATOM 955 O VAL A 68 -13.128 -1.910 1.122 1.00 0.00 O ATOM 956 CB VAL A 68 -14.744 0.769 1.544 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.129 2.109 2.177 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.374 0.979 0.070 1.00 0.00 C ATOM 0 H VAL A 68 -12.233 0.833 1.103 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.894 0.195 3.443 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.594 0.087 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.891 2.594 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.522 1.938 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.249 2.750 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.193 1.484 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.473 1.589 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.193 0.013 -0.401 1.00 0.00 H new ATOM 968 N GLN A 69 -14.272 -2.219 3.028 1.00 0.00 N ATOM 969 CA GLN A 69 -14.409 -3.653 2.843 1.00 0.00 C ATOM 970 C GLN A 69 -15.550 -3.907 1.854 1.00 0.00 C ATOM 971 O GLN A 69 -16.629 -3.334 1.989 1.00 0.00 O ATOM 972 CB GLN A 69 -14.484 -4.364 4.203 1.00 0.00 C ATOM 973 CG GLN A 69 -15.821 -4.255 4.943 1.00 0.00 C ATOM 974 CD GLN A 69 -16.936 -5.094 4.325 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.597 -6.160 3.602 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -18.109 -4.772 4.471 1.00 0.00 N flip ATOM 0 H GLN A 69 -14.673 -1.869 3.898 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.530 -4.104 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.260 -5.420 4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.701 -3.961 4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.679 -4.563 5.979 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.132 -3.210 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.347 -3.952 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.847 -5.324 4.035 1.00 0.00 H new ATOM 985 N THR A 70 -15.286 -4.731 0.841 1.00 0.00 N ATOM 986 CA THR A 70 -16.236 -5.123 -0.193 1.00 0.00 C ATOM 987 C THR A 70 -16.804 -6.506 0.144 1.00 0.00 C ATOM 988 O THR A 70 -17.935 -6.838 -0.202 1.00 0.00 O ATOM 989 CB THR A 70 -15.547 -5.091 -1.565 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.414 -5.937 -1.602 1.00 0.00 O ATOM 991 CG2 THR A 70 -15.106 -3.666 -1.917 1.00 0.00 C ATOM 0 H THR A 70 -14.369 -5.159 0.715 1.00 0.00 H new ATOM 0 HA THR A 70 -17.070 -4.423 -0.234 1.00 0.00 H new ATOM 0 HB THR A 70 -16.277 -5.446 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.814 -5.713 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.620 -3.666 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.978 -3.012 -1.946 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.406 -3.305 -1.163 1.00 0.00 H new ATOM 999 N SER A 71 -16.010 -7.327 0.831 1.00 0.00 N ATOM 1000 CA SER A 71 -16.359 -8.635 1.360 1.00 0.00 C ATOM 1001 C SER A 71 -15.383 -8.866 2.521 1.00 0.00 C ATOM 1002 O SER A 71 -14.539 -7.993 2.758 1.00 0.00 O ATOM 1003 CB SER A 71 -16.237 -9.705 0.264 1.00 0.00 C ATOM 1004 OG SER A 71 -16.725 -9.235 -0.978 1.00 0.00 O ATOM 0 H SER A 71 -15.045 -7.075 1.044 1.00 0.00 H new ATOM 0 HA SER A 71 -17.391 -8.692 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.193 -10.000 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.792 -10.595 0.560 1.00 0.00 H new ATOM 0 HG SER A 71 -16.632 -9.939 -1.654 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.483 -9.969 3.278 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.523 -10.269 4.329 1.00 0.00 C ATOM 1012 C PRO A 72 -13.110 -10.265 3.736 1.00 0.00 C ATOM 1013 O PRO A 72 -12.906 -10.828 2.661 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.922 -11.648 4.864 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.425 -11.701 4.582 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.537 -10.967 3.246 1.00 0.00 C ATOM 0 HA PRO A 72 -14.525 -9.536 5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.387 -12.449 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.707 -11.747 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.789 -12.726 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.002 -11.209 5.365 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.408 -11.651 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.517 -10.503 3.131 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.163 -9.577 4.384 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.768 -9.439 3.966 1.00 0.00 C ATOM 1026 C LYS A 73 -10.589 -8.538 2.731 1.00 0.00 C ATOM 1027 O LYS A 73 -9.632 -7.765 2.674 1.00 0.00 O ATOM 1028 CB LYS A 73 -10.109 -10.817 3.788 1.00 0.00 C ATOM 1029 CG LYS A 73 -8.579 -10.709 3.821 1.00 0.00 C ATOM 1030 CD LYS A 73 -7.945 -12.092 3.627 1.00 0.00 C ATOM 1031 CE LYS A 73 -6.416 -12.040 3.738 1.00 0.00 C ATOM 1032 NZ LYS A 73 -5.811 -11.201 2.687 1.00 0.00 N ATOM 0 H LYS A 73 -12.360 -9.080 5.253 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.247 -8.923 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.446 -11.489 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.425 -11.254 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.238 -10.032 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.258 -10.284 4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.340 -12.781 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.225 -12.486 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.137 -11.651 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.014 -13.051 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.775 -11.275 2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.137 -11.525 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.094 -10.210 2.828 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.481 -8.630 1.742 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.423 -7.849 0.516 1.00 0.00 C ATOM 1048 C LYS A 74 -11.639 -6.357 0.791 1.00 0.00 C ATOM 1049 O LYS A 74 -12.726 -5.824 0.565 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.448 -8.372 -0.500 1.00 0.00 C ATOM 1051 CG LYS A 74 -12.252 -9.855 -0.835 1.00 0.00 C ATOM 1052 CD LYS A 74 -13.127 -10.211 -2.045 1.00 0.00 C ATOM 1053 CE LYS A 74 -13.113 -11.715 -2.342 1.00 0.00 C ATOM 1054 NZ LYS A 74 -13.746 -12.498 -1.266 1.00 0.00 N ATOM 0 H LYS A 74 -12.279 -9.265 1.777 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.425 -7.962 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.453 -8.224 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.376 -7.785 -1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.204 -10.056 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.522 -10.474 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.151 -9.888 -1.859 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.774 -9.665 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.633 -11.904 -3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.084 -12.048 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.899 -13.474 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.127 -12.504 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.660 -12.069 -1.016 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.578 -5.670 1.210 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.578 -4.242 1.489 1.00 0.00 C ATOM 1070 C PHE A 75 -10.020 -3.537 0.262 1.00 0.00 C ATOM 1071 O PHE A 75 -8.906 -3.841 -0.159 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.711 -3.943 2.716 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.466 -3.905 4.029 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.001 -2.688 4.490 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -10.555 -5.054 4.836 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.530 -2.594 5.787 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.108 -4.968 6.125 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.577 -3.734 6.609 1.00 0.00 C ATOM 0 H PHE A 75 -9.670 -6.107 1.368 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.588 -3.892 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.928 -4.699 2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.216 -2.983 2.569 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -11.005 -1.823 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.198 -6.003 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.900 -1.648 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.173 -5.850 6.744 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.973 -3.662 7.611 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.799 -2.616 -0.315 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.426 -1.875 -1.512 1.00 0.00 C ATOM 1090 C LYS A 76 -10.568 -0.374 -1.296 1.00 0.00 C ATOM 1091 O LYS A 76 -11.315 0.089 -0.432 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.211 -2.347 -2.748 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.170 -3.872 -2.906 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.760 -4.270 -4.264 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.852 -5.792 -4.422 1.00 0.00 C ATOM 1096 NZ LYS A 76 -10.520 -6.422 -4.471 1.00 0.00 N ATOM 0 H LYS A 76 -11.719 -2.365 0.046 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.374 -2.083 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.247 -2.019 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.797 -1.879 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.143 -4.227 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.733 -4.345 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.753 -3.833 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.143 -3.858 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.420 -6.209 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.400 -6.030 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.626 -7.451 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.986 -6.043 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.006 -6.217 -3.590 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.819 0.385 -2.091 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.783 1.832 -2.022 1.00 0.00 C ATOM 1112 C CYS A 77 -10.878 2.409 -2.899 1.00 0.00 C ATOM 1113 O CYS A 77 -10.870 2.171 -4.107 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.410 2.326 -2.475 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.087 1.858 -1.348 1.00 0.00 S ATOM 0 H CYS A 77 -9.211 -0.001 -2.813 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.952 2.160 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.195 1.925 -3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.433 3.412 -2.568 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.812 3.162 -2.315 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.893 3.786 -3.067 1.00 0.00 C ATOM 1122 C LEU A 78 -13.082 5.221 -2.594 1.00 0.00 C ATOM 1123 O LEU A 78 -12.569 5.615 -1.551 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.164 2.943 -2.906 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.335 3.258 -3.851 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.942 3.130 -5.329 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.468 2.269 -3.550 1.00 0.00 C ATOM 0 H LEU A 78 -11.837 3.353 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.652 3.826 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.894 1.895 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.517 3.054 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.644 4.290 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.803 3.362 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.133 3.825 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.611 2.111 -5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.313 2.472 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.116 1.251 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.782 2.381 -2.512 1.00 0.00 H new ATOM 1139 N SER A 79 -13.809 6.016 -3.375 1.00 0.00 N ATOM 1140 CA SER A 79 -14.082 7.420 -3.084 1.00 0.00 C ATOM 1141 C SER A 79 -15.202 7.583 -2.048 1.00 0.00 C ATOM 1142 O SER A 79 -16.028 8.484 -2.178 1.00 0.00 O ATOM 1143 CB SER A 79 -14.440 8.124 -4.397 1.00 0.00 C ATOM 1144 OG SER A 79 -13.506 7.768 -5.401 1.00 0.00 O ATOM 0 H SER A 79 -14.233 5.695 -4.245 1.00 0.00 H new ATOM 0 HA SER A 79 -13.192 7.874 -2.647 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.447 7.844 -4.708 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.439 9.204 -4.253 1.00 0.00 H new ATOM 0 HG SER A 79 -13.739 8.219 -6.239 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.240 6.701 -1.050 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.196 6.609 0.035 1.00 0.00 C ATOM 1152 C LYS A 80 -15.722 5.412 0.860 1.00 0.00 C ATOM 1153 O LYS A 80 -16.157 5.295 2.024 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.631 6.397 -0.479 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.723 5.268 -1.518 1.00 0.00 C ATOM 1156 CD LYS A 80 -19.169 4.922 -1.899 1.00 0.00 C ATOM 1157 CE LYS A 80 -19.902 4.193 -0.766 1.00 0.00 C ATOM 1158 NZ LYS A 80 -21.231 3.730 -1.200 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.919 4.637 0.286 1.00 0.00 O ATOM 0 H LYS A 80 -14.534 5.968 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.236 7.529 0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.285 6.166 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.996 7.324 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.177 5.561 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.234 4.377 -1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.707 5.836 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.169 4.297 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.308 3.341 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.008 4.860 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.702 3.241 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.804 4.547 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.126 3.075 -2.001 1.00 0.00 H new