USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 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 70 THR OG1 : rot -14:sc= 1.66 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -172:sc= 0.64 (180deg=-0.00872) USER MOD Set 2.1: A 42 HIS : no HD1:sc= 0.266 K(o=0.25,f=-7.2!) USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.02 X(o=0.25,f=0.075) USER MOD Single : A 12 GLN : amide:sc= 0.228 K(o=0.23,f=-3.7!) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0.55 (180deg=0.476) USER MOD Single : A 17 THR OG1 : rot -28:sc= 0.602 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0375) USER MOD Single : A 27 SER OG : rot -34:sc= 0.575 USER MOD Single : A 32 THR OG1 : rot 70:sc= 0.339 USER MOD Single : A 36 THR OG1 : rot 55:sc= 0.659 USER MOD Single : A 37 SER OG : rot 180:sc= 0.126 USER MOD Single : A 45 SER OG : rot 73:sc= 1.14 USER MOD Single : A 46 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-5.3!) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.976 X(o=-0.98,f=-1.1) USER MOD Single : A 55 MET CE :methyl -170:sc= 0 (180deg=-0.118) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -2.82 F(o=-3.6!,f=-2.8) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.44 F(o=-2.7,f=-1.4) USER MOD Single : A 71 SER OG : rot 180:sc= -0.196 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.42 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.378 3.083 -6.973 1.00 0.00 N ATOM 62 CA GLY A 5 12.519 2.012 -7.455 1.00 0.00 C ATOM 63 C GLY A 5 12.514 0.875 -6.441 1.00 0.00 C ATOM 64 O GLY A 5 11.481 0.593 -5.837 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.506 2.384 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.874 1.652 -8.420 1.00 0.00 H new ATOM 68 N ALA A 6 13.667 0.221 -6.265 1.00 0.00 N ATOM 69 CA ALA A 6 13.852 -0.849 -5.295 1.00 0.00 C ATOM 70 C ALA A 6 14.227 -0.184 -3.976 1.00 0.00 C ATOM 71 O ALA A 6 15.175 0.601 -3.928 1.00 0.00 O ATOM 72 CB ALA A 6 14.939 -1.814 -5.770 1.00 0.00 C ATOM 0 H ALA A 6 14.508 0.428 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 6 12.944 -1.440 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.067 -2.609 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.648 -2.248 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.879 -1.274 -5.887 1.00 0.00 H new ATOM 78 N CYS A 7 13.461 -0.450 -2.919 1.00 0.00 N ATOM 79 CA CYS A 7 13.638 0.226 -1.646 1.00 0.00 C ATOM 80 C CYS A 7 13.443 -0.683 -0.450 1.00 0.00 C ATOM 81 O CYS A 7 12.995 -1.816 -0.576 1.00 0.00 O ATOM 82 CB CYS A 7 12.698 1.432 -1.587 1.00 0.00 C ATOM 83 SG CYS A 7 10.983 1.086 -2.015 1.00 0.00 S ATOM 0 H CYS A 7 12.707 -1.136 -2.926 1.00 0.00 H new ATOM 0 HA CYS A 7 14.674 0.558 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.728 1.847 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.076 2.201 -2.260 1.00 0.00 H new ATOM 88 N GLU A 8 13.810 -0.153 0.716 1.00 0.00 N ATOM 89 CA GLU A 8 13.650 -0.785 2.008 1.00 0.00 C ATOM 90 C GLU A 8 12.410 -0.208 2.686 1.00 0.00 C ATOM 91 O GLU A 8 11.646 -0.956 3.295 1.00 0.00 O ATOM 92 CB GLU A 8 14.869 -0.489 2.887 1.00 0.00 C ATOM 93 CG GLU A 8 16.170 -1.113 2.372 1.00 0.00 C ATOM 94 CD GLU A 8 17.343 -0.818 3.309 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.080 -0.325 4.430 1.00 0.00 O ATOM 96 OE2 GLU A 8 18.485 -1.094 2.885 1.00 0.00 O ATOM 0 H GLU A 8 14.244 0.768 0.780 1.00 0.00 H new ATOM 0 HA GLU A 8 13.549 -1.862 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.999 0.591 2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.676 -0.855 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.044 -2.191 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.391 -0.726 1.377 1.00 0.00 H new ATOM 103 N ARG A 9 12.221 1.115 2.607 1.00 0.00 N ATOM 104 CA ARG A 9 11.130 1.814 3.279 1.00 0.00 C ATOM 105 C ARG A 9 10.657 3.036 2.489 1.00 0.00 C ATOM 106 O ARG A 9 11.450 3.657 1.774 1.00 0.00 O ATOM 107 CB ARG A 9 11.552 2.214 4.698 1.00 0.00 C ATOM 108 CG ARG A 9 12.852 3.038 4.756 1.00 0.00 C ATOM 109 CD ARG A 9 13.975 2.249 5.435 1.00 0.00 C ATOM 110 NE ARG A 9 13.668 2.003 6.848 1.00 0.00 N ATOM 111 CZ ARG A 9 14.249 1.080 7.624 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.229 0.300 7.152 1.00 0.00 N ATOM 113 NH2 ARG A 9 13.809 0.946 8.877 1.00 0.00 N ATOM 0 H ARG A 9 12.829 1.732 2.069 1.00 0.00 H new ATOM 0 HA ARG A 9 10.286 1.127 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.748 2.790 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.679 1.312 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.156 3.314 3.746 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.674 3.965 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.119 1.299 4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.912 2.801 5.354 1.00 0.00 H new ATOM 0 HE ARG A 9 12.949 2.586 7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.544 0.404 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.661 -0.398 7.757 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.051 1.538 9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.231 0.252 9.494 1.00 0.00 H new ATOM 127 N ASP A 10 9.367 3.367 2.666 1.00 0.00 N ATOM 128 CA ASP A 10 8.608 4.424 2.001 1.00 0.00 C ATOM 129 C ASP A 10 9.465 5.637 1.657 1.00 0.00 C ATOM 130 O ASP A 10 9.475 6.094 0.518 1.00 0.00 O ATOM 131 CB ASP A 10 7.462 4.893 2.908 1.00 0.00 C ATOM 132 CG ASP A 10 6.304 3.929 3.120 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.309 2.782 2.621 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.373 4.366 3.828 1.00 0.00 O ATOM 0 H ASP A 10 8.787 2.858 3.333 1.00 0.00 H new ATOM 0 HA ASP A 10 8.229 3.996 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.882 5.137 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.060 5.818 2.494 1.00 0.00 H new ATOM 139 N LEU A 11 10.176 6.134 2.673 1.00 0.00 N ATOM 140 CA LEU A 11 11.044 7.304 2.655 1.00 0.00 C ATOM 141 C LEU A 11 11.877 7.447 1.374 1.00 0.00 C ATOM 142 O LEU A 11 12.166 8.568 0.962 1.00 0.00 O ATOM 143 CB LEU A 11 11.943 7.239 3.901 1.00 0.00 C ATOM 144 CG LEU A 11 12.868 8.452 4.102 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.078 9.754 4.281 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.735 8.214 5.343 1.00 0.00 C ATOM 0 H LEU A 11 10.155 5.694 3.593 1.00 0.00 H new ATOM 0 HA LEU A 11 10.415 8.194 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.310 7.135 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.556 6.340 3.841 1.00 0.00 H new ATOM 0 HG LEU A 11 13.485 8.558 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.771 10.584 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.468 9.934 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.432 9.671 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.395 9.068 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.094 8.090 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.333 7.314 5.202 1.00 0.00 H new ATOM 158 N GLN A 12 12.291 6.340 0.747 1.00 0.00 N ATOM 159 CA GLN A 12 13.076 6.410 -0.481 1.00 0.00 C ATOM 160 C GLN A 12 12.345 7.102 -1.641 1.00 0.00 C ATOM 161 O GLN A 12 13.010 7.581 -2.558 1.00 0.00 O ATOM 162 CB GLN A 12 13.544 5.011 -0.891 1.00 0.00 C ATOM 163 CG GLN A 12 14.659 4.533 0.047 1.00 0.00 C ATOM 164 CD GLN A 12 15.199 3.161 -0.335 1.00 0.00 C ATOM 165 OE1 GLN A 12 15.256 2.264 0.502 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.576 2.965 -1.596 1.00 0.00 N ATOM 0 H GLN A 12 12.095 5.393 1.071 1.00 0.00 H new ATOM 0 HA GLN A 12 13.941 7.035 -0.259 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.706 4.314 -0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.905 5.026 -1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.474 5.256 0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.279 4.498 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.518 3.728 -2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.923 2.052 -1.888 1.00 0.00 H new ATOM 175 N CYS A 13 11.009 7.144 -1.631 1.00 0.00 N ATOM 176 CA CYS A 13 10.213 7.789 -2.670 1.00 0.00 C ATOM 177 C CYS A 13 9.252 8.798 -2.036 1.00 0.00 C ATOM 178 O CYS A 13 9.070 8.824 -0.821 1.00 0.00 O ATOM 179 CB CYS A 13 9.479 6.737 -3.510 1.00 0.00 C ATOM 180 SG CYS A 13 10.514 5.789 -4.652 1.00 0.00 S ATOM 0 H CYS A 13 10.447 6.725 -0.890 1.00 0.00 H new ATOM 0 HA CYS A 13 10.869 8.337 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.982 6.041 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.698 7.236 -4.084 1.00 0.00 H new ATOM 185 N GLY A 14 8.657 9.667 -2.861 1.00 0.00 N ATOM 186 CA GLY A 14 7.755 10.713 -2.397 1.00 0.00 C ATOM 187 C GLY A 14 6.459 10.148 -1.810 1.00 0.00 C ATOM 188 O GLY A 14 6.071 9.023 -2.122 1.00 0.00 O ATOM 0 H GLY A 14 8.792 9.660 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.260 11.316 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.515 11.377 -3.227 1.00 0.00 H new ATOM 192 N LYS A 15 5.752 10.965 -1.017 1.00 0.00 N ATOM 193 CA LYS A 15 4.509 10.602 -0.335 1.00 0.00 C ATOM 194 C LYS A 15 3.423 10.062 -1.278 1.00 0.00 C ATOM 195 O LYS A 15 2.523 9.353 -0.837 1.00 0.00 O ATOM 196 CB LYS A 15 4.024 11.793 0.508 1.00 0.00 C ATOM 197 CG LYS A 15 2.791 11.442 1.354 1.00 0.00 C ATOM 198 CD LYS A 15 2.567 12.488 2.454 1.00 0.00 C ATOM 199 CE LYS A 15 1.233 12.271 3.181 1.00 0.00 C ATOM 200 NZ LYS A 15 1.123 10.921 3.764 1.00 0.00 N ATOM 0 H LYS A 15 6.041 11.925 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 15 4.725 9.764 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.830 12.124 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.785 12.628 -0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.910 11.386 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.921 10.458 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.385 12.441 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.585 13.486 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.128 13.015 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.412 12.430 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.252 10.857 4.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.094 10.215 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.945 10.738 4.374 1.00 0.00 H new ATOM 214 N GLY A 16 3.498 10.376 -2.576 1.00 0.00 N ATOM 215 CA GLY A 16 2.589 9.818 -3.573 1.00 0.00 C ATOM 216 C GLY A 16 2.810 8.309 -3.764 1.00 0.00 C ATOM 217 O GLY A 16 2.093 7.661 -4.527 1.00 0.00 O ATOM 0 H GLY A 16 4.188 11.021 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.559 9.999 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.734 10.330 -4.524 1.00 0.00 H new ATOM 221 N THR A 17 3.815 7.735 -3.103 1.00 0.00 N ATOM 222 CA THR A 17 4.110 6.321 -3.145 1.00 0.00 C ATOM 223 C THR A 17 4.463 5.870 -1.724 1.00 0.00 C ATOM 224 O THR A 17 4.562 6.683 -0.806 1.00 0.00 O ATOM 225 CB THR A 17 5.289 6.078 -4.113 1.00 0.00 C ATOM 226 OG1 THR A 17 6.445 6.728 -3.633 1.00 0.00 O ATOM 227 CG2 THR A 17 5.032 6.604 -5.529 1.00 0.00 C ATOM 0 H THR A 17 4.457 8.262 -2.511 1.00 0.00 H new ATOM 0 HA THR A 17 3.254 5.750 -3.503 1.00 0.00 H new ATOM 0 HB THR A 17 5.414 4.996 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.184 7.512 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.900 6.400 -6.156 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.157 6.108 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.856 7.679 -5.491 1.00 0.00 H new ATOM 235 N CYS A 18 4.642 4.565 -1.566 1.00 0.00 N ATOM 236 CA CYS A 18 5.035 3.848 -0.367 1.00 0.00 C ATOM 237 C CYS A 18 6.000 2.763 -0.849 1.00 0.00 C ATOM 238 O CYS A 18 6.066 2.527 -2.053 1.00 0.00 O ATOM 239 CB CYS A 18 3.802 3.157 0.216 1.00 0.00 C ATOM 240 SG CYS A 18 3.228 1.855 -0.896 1.00 0.00 S ATOM 0 H CYS A 18 4.502 3.926 -2.348 1.00 0.00 H new ATOM 0 HA CYS A 18 5.475 4.506 0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.042 2.732 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.008 3.887 0.373 1.00 0.00 H new ATOM 245 N CYS A 19 6.706 2.063 0.035 1.00 0.00 N ATOM 246 CA CYS A 19 7.566 0.953 -0.366 1.00 0.00 C ATOM 247 C CYS A 19 6.901 -0.320 0.102 1.00 0.00 C ATOM 248 O CYS A 19 6.918 -0.599 1.298 1.00 0.00 O ATOM 249 CB CYS A 19 8.966 1.097 0.211 1.00 0.00 C ATOM 250 SG CYS A 19 9.926 2.305 -0.720 1.00 0.00 S ATOM 0 H CYS A 19 6.699 2.246 1.038 1.00 0.00 H new ATOM 0 HA CYS A 19 7.688 0.939 -1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.903 1.404 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.472 0.132 0.192 1.00 0.00 H new ATOM 255 N ALA A 20 6.302 -1.077 -0.816 1.00 0.00 N ATOM 256 CA ALA A 20 5.603 -2.312 -0.491 1.00 0.00 C ATOM 257 C ALA A 20 6.449 -3.501 -0.918 1.00 0.00 C ATOM 258 O ALA A 20 7.392 -3.349 -1.689 1.00 0.00 O ATOM 259 CB ALA A 20 4.240 -2.361 -1.178 1.00 0.00 C ATOM 0 H ALA A 20 6.290 -0.847 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 20 5.440 -2.351 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.736 -3.293 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.635 -1.517 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.375 -2.308 -2.258 1.00 0.00 H new ATOM 265 N VAL A 21 6.103 -4.680 -0.409 1.00 0.00 N ATOM 266 CA VAL A 21 6.752 -5.937 -0.747 1.00 0.00 C ATOM 267 C VAL A 21 6.575 -6.185 -2.261 1.00 0.00 C ATOM 268 O VAL A 21 5.727 -5.548 -2.886 1.00 0.00 O ATOM 269 CB VAL A 21 6.110 -7.037 0.133 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.804 -8.390 -0.041 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.124 -6.674 1.629 1.00 0.00 C ATOM 0 H VAL A 21 5.345 -4.787 0.266 1.00 0.00 H new ATOM 0 HA VAL A 21 7.824 -5.929 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 21 5.077 -7.110 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.321 -9.131 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.733 -8.704 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.853 -8.300 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.663 -7.478 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.153 -6.536 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.566 -5.751 1.785 1.00 0.00 H new ATOM 281 N SER A 22 7.350 -7.088 -2.878 1.00 0.00 N ATOM 282 CA SER A 22 7.204 -7.464 -4.279 1.00 0.00 C ATOM 283 C SER A 22 6.476 -8.817 -4.376 1.00 0.00 C ATOM 284 O SER A 22 6.992 -9.817 -3.878 1.00 0.00 O ATOM 285 CB SER A 22 8.603 -7.523 -4.889 1.00 0.00 C ATOM 286 OG SER A 22 9.273 -6.304 -4.650 1.00 0.00 O ATOM 0 H SER A 22 8.106 -7.582 -2.404 1.00 0.00 H new ATOM 0 HA SER A 22 6.605 -6.737 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.165 -8.350 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.536 -7.709 -5.961 1.00 0.00 H new ATOM 0 HG SER A 22 10.171 -6.343 -5.040 1.00 0.00 H new ATOM 292 N LEU A 23 5.295 -8.866 -5.020 1.00 0.00 N ATOM 293 CA LEU A 23 4.426 -10.047 -5.117 1.00 0.00 C ATOM 294 C LEU A 23 5.167 -11.329 -5.518 1.00 0.00 C ATOM 295 O LEU A 23 4.774 -12.413 -5.094 1.00 0.00 O ATOM 296 CB LEU A 23 3.276 -9.809 -6.122 1.00 0.00 C ATOM 297 CG LEU A 23 2.053 -8.985 -5.675 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.329 -9.582 -4.463 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.331 -7.502 -5.442 1.00 0.00 C ATOM 0 H LEU A 23 4.909 -8.055 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 23 4.033 -10.192 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.701 -9.319 -6.998 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.915 -10.785 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 23 1.389 -9.047 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.478 -8.953 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.977 -10.585 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.016 -9.634 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.413 -7.004 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.086 -7.391 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.693 -7.050 -6.365 1.00 0.00 H new ATOM 311 N TRP A 24 6.237 -11.214 -6.307 1.00 0.00 N ATOM 312 CA TRP A 24 6.935 -12.363 -6.877 1.00 0.00 C ATOM 313 C TRP A 24 8.178 -12.750 -6.075 1.00 0.00 C ATOM 314 O TRP A 24 8.742 -13.815 -6.311 1.00 0.00 O ATOM 315 CB TRP A 24 7.298 -12.035 -8.337 1.00 0.00 C ATOM 316 CG TRP A 24 6.291 -11.177 -9.049 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.557 -9.998 -9.654 1.00 0.00 C ATOM 318 CD2 TRP A 24 4.838 -11.311 -9.062 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.377 -9.367 -9.990 1.00 0.00 N ATOM 320 CE2 TRP A 24 4.284 -10.117 -9.607 1.00 0.00 C ATOM 321 CE3 TRP A 24 3.927 -12.279 -8.585 1.00 0.00 C ATOM 322 CZ2 TRP A 24 2.904 -9.876 -9.624 1.00 0.00 C ATOM 323 CZ3 TRP A 24 2.538 -12.072 -8.654 1.00 0.00 C ATOM 324 CH2 TRP A 24 2.030 -10.848 -9.117 1.00 0.00 C ATOM 0 H TRP A 24 6.644 -10.316 -6.568 1.00 0.00 H new ATOM 0 HA TRP A 24 6.274 -13.229 -6.838 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.264 -11.530 -8.354 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.416 -12.968 -8.888 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.546 -9.608 -9.846 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.320 -8.464 -10.460 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.305 -13.197 -8.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.517 -8.950 -10.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.861 -12.856 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.968 -10.655 -9.083 1.00 0.00 H new ATOM 335 N ILE A 25 8.611 -11.907 -5.132 1.00 0.00 N ATOM 336 CA ILE A 25 9.774 -12.165 -4.306 1.00 0.00 C ATOM 337 C ILE A 25 9.697 -11.289 -3.056 1.00 0.00 C ATOM 338 O ILE A 25 10.109 -10.131 -3.054 1.00 0.00 O ATOM 339 CB ILE A 25 11.074 -12.003 -5.118 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.296 -12.201 -4.205 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.163 -10.671 -5.874 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.599 -12.393 -4.986 1.00 0.00 C ATOM 0 H ILE A 25 8.153 -11.019 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 25 9.785 -13.201 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 25 11.063 -12.778 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.396 -11.337 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.130 -13.069 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.104 -10.626 -6.423 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.331 -10.593 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.118 -9.846 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.425 -12.528 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.515 -13.273 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.786 -11.515 -5.604 1.00 0.00 H new ATOM 354 N LYS A 26 9.209 -11.868 -1.957 1.00 0.00 N ATOM 355 CA LYS A 26 9.069 -11.166 -0.689 1.00 0.00 C ATOM 356 C LYS A 26 10.394 -10.574 -0.185 1.00 0.00 C ATOM 357 O LYS A 26 10.385 -9.687 0.664 1.00 0.00 O ATOM 358 CB LYS A 26 8.441 -12.095 0.358 1.00 0.00 C ATOM 359 CG LYS A 26 7.035 -12.551 -0.064 1.00 0.00 C ATOM 360 CD LYS A 26 6.285 -13.245 1.084 1.00 0.00 C ATOM 361 CE LYS A 26 7.000 -14.489 1.630 1.00 0.00 C ATOM 362 NZ LYS A 26 7.248 -15.492 0.579 1.00 0.00 N ATOM 0 H LYS A 26 8.900 -12.840 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 26 8.406 -10.318 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.079 -12.967 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.385 -11.579 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.461 -11.689 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.114 -13.234 -0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.145 -12.532 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.293 -13.531 0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.948 -14.194 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.397 -14.935 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.671 -16.342 1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.349 -15.744 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.900 -15.098 -0.130 1.00 0.00 H new ATOM 376 N SER A 27 11.532 -11.046 -0.708 1.00 0.00 N ATOM 377 CA SER A 27 12.841 -10.545 -0.321 1.00 0.00 C ATOM 378 C SER A 27 13.137 -9.165 -0.923 1.00 0.00 C ATOM 379 O SER A 27 14.185 -8.606 -0.600 1.00 0.00 O ATOM 380 CB SER A 27 13.926 -11.557 -0.716 1.00 0.00 C ATOM 381 OG SER A 27 15.175 -11.167 -0.180 1.00 0.00 O ATOM 0 H SER A 27 11.563 -11.785 -1.410 1.00 0.00 H new ATOM 0 HA SER A 27 12.842 -10.422 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.659 -12.549 -0.351 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.993 -11.624 -1.802 1.00 0.00 H new ATOM 0 HG SER A 27 15.236 -10.189 -0.171 1.00 0.00 H new ATOM 387 N VAL A 28 12.288 -8.638 -1.815 1.00 0.00 N ATOM 388 CA VAL A 28 12.473 -7.326 -2.424 1.00 0.00 C ATOM 389 C VAL A 28 11.223 -6.491 -2.155 1.00 0.00 C ATOM 390 O VAL A 28 10.107 -7.017 -2.124 1.00 0.00 O ATOM 391 CB VAL A 28 12.739 -7.468 -3.933 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.974 -6.109 -4.605 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.959 -8.361 -4.199 1.00 0.00 C ATOM 0 H VAL A 28 11.447 -9.120 -2.133 1.00 0.00 H new ATOM 0 HA VAL A 28 13.339 -6.827 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 28 11.846 -7.925 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.158 -6.256 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.093 -5.480 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.838 -5.623 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.123 -8.443 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.840 -7.923 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.782 -9.353 -3.782 1.00 0.00 H new ATOM 403 N ARG A 29 11.406 -5.181 -1.979 1.00 0.00 N ATOM 404 CA ARG A 29 10.336 -4.225 -1.753 1.00 0.00 C ATOM 405 C ARG A 29 10.546 -3.083 -2.756 1.00 0.00 C ATOM 406 O ARG A 29 11.691 -2.741 -3.062 1.00 0.00 O ATOM 407 CB ARG A 29 10.312 -3.770 -0.282 1.00 0.00 C ATOM 408 CG ARG A 29 10.705 -4.878 0.715 1.00 0.00 C ATOM 409 CD ARG A 29 10.675 -4.408 2.175 1.00 0.00 C ATOM 410 NE ARG A 29 9.302 -4.172 2.636 1.00 0.00 N ATOM 411 CZ ARG A 29 8.623 -3.035 2.457 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.233 -1.871 2.219 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.296 -3.048 2.500 1.00 0.00 N ATOM 0 H ARG A 29 12.331 -4.750 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 29 9.352 -4.663 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.991 -2.926 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.312 -3.412 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.026 -5.723 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.706 -5.237 0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.149 -5.157 2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.256 -3.491 2.275 1.00 0.00 H new ATOM 0 HE ARG A 29 8.832 -4.931 3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.251 -1.830 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.681 -1.023 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.800 -3.923 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.773 -2.183 2.364 1.00 0.00 H new ATOM 427 N VAL A 30 9.465 -2.532 -3.316 1.00 0.00 N ATOM 428 CA VAL A 30 9.521 -1.533 -4.377 1.00 0.00 C ATOM 429 C VAL A 30 8.554 -0.373 -4.127 1.00 0.00 C ATOM 430 O VAL A 30 7.521 -0.542 -3.467 1.00 0.00 O ATOM 431 CB VAL A 30 9.239 -2.194 -5.741 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.337 -3.191 -6.131 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.882 -2.915 -5.777 1.00 0.00 C ATOM 0 H VAL A 30 8.514 -2.774 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 30 10.527 -1.113 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 30 9.220 -1.375 -6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.099 -3.634 -7.098 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.294 -2.672 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.400 -3.976 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.734 -3.363 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.864 -3.696 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.084 -2.199 -5.580 1.00 0.00 H new ATOM 443 N CYS A 31 8.895 0.807 -4.666 1.00 0.00 N ATOM 444 CA CYS A 31 8.075 2.008 -4.553 1.00 0.00 C ATOM 445 C CYS A 31 6.755 1.770 -5.287 1.00 0.00 C ATOM 446 O CYS A 31 6.684 1.860 -6.510 1.00 0.00 O ATOM 447 CB CYS A 31 8.778 3.273 -5.064 1.00 0.00 C ATOM 448 SG CYS A 31 10.228 3.798 -4.115 1.00 0.00 S ATOM 0 H CYS A 31 9.755 0.949 -5.195 1.00 0.00 H new ATOM 0 HA CYS A 31 7.889 2.192 -3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.083 3.106 -6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.056 4.090 -5.073 1.00 0.00 H new ATOM 453 N THR A 32 5.716 1.450 -4.525 1.00 0.00 N ATOM 454 CA THR A 32 4.366 1.149 -4.967 1.00 0.00 C ATOM 455 C THR A 32 3.538 2.421 -4.756 1.00 0.00 C ATOM 456 O THR A 32 3.804 3.165 -3.813 1.00 0.00 O ATOM 457 CB THR A 32 3.888 -0.039 -4.118 1.00 0.00 C ATOM 458 OG1 THR A 32 4.822 -1.093 -4.269 1.00 0.00 O ATOM 459 CG2 THR A 32 2.497 -0.571 -4.468 1.00 0.00 C ATOM 0 H THR A 32 5.805 1.391 -3.511 1.00 0.00 H new ATOM 0 HA THR A 32 4.283 0.870 -6.017 1.00 0.00 H new ATOM 0 HB THR A 32 3.817 0.328 -3.094 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.661 -0.852 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.252 -1.407 -3.813 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.760 0.221 -4.335 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.486 -0.907 -5.505 1.00 0.00 H new ATOM 467 N PRO A 33 2.573 2.740 -5.627 1.00 0.00 N ATOM 468 CA PRO A 33 1.803 3.963 -5.490 1.00 0.00 C ATOM 469 C PRO A 33 0.850 3.878 -4.298 1.00 0.00 C ATOM 470 O PRO A 33 0.546 2.785 -3.817 1.00 0.00 O ATOM 471 CB PRO A 33 1.047 4.107 -6.813 1.00 0.00 C ATOM 472 CG PRO A 33 0.858 2.659 -7.270 1.00 0.00 C ATOM 473 CD PRO A 33 2.122 1.958 -6.765 1.00 0.00 C ATOM 0 HA PRO A 33 2.436 4.829 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.092 4.614 -6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.615 4.687 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.043 2.218 -6.844 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.766 2.589 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.910 0.929 -6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.886 1.919 -7.542 1.00 0.00 H new ATOM 481 N VAL A 34 0.390 5.036 -3.808 1.00 0.00 N ATOM 482 CA VAL A 34 -0.675 5.061 -2.805 1.00 0.00 C ATOM 483 C VAL A 34 -1.865 4.252 -3.349 1.00 0.00 C ATOM 484 O VAL A 34 -2.084 4.196 -4.563 1.00 0.00 O ATOM 485 CB VAL A 34 -1.157 6.501 -2.524 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.373 7.238 -1.437 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.176 7.363 -3.790 1.00 0.00 C ATOM 0 H VAL A 34 0.735 5.955 -4.087 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.288 4.639 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.172 6.361 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.782 8.240 -1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.452 6.691 -0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.675 7.309 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.522 8.366 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.171 7.419 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.849 6.918 -4.523 1.00 0.00 H new ATOM 497 N GLY A 35 -2.652 3.648 -2.457 1.00 0.00 N ATOM 498 CA GLY A 35 -3.816 2.865 -2.835 1.00 0.00 C ATOM 499 C GLY A 35 -4.773 3.736 -3.651 1.00 0.00 C ATOM 500 O GLY A 35 -5.442 4.615 -3.113 1.00 0.00 O ATOM 0 H GLY A 35 -2.494 3.692 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.510 1.997 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.319 2.489 -1.944 1.00 0.00 H new ATOM 504 N THR A 36 -4.827 3.507 -4.959 1.00 0.00 N ATOM 505 CA THR A 36 -5.611 4.301 -5.888 1.00 0.00 C ATOM 506 C THR A 36 -6.926 3.575 -6.178 1.00 0.00 C ATOM 507 O THR A 36 -7.013 2.360 -6.016 1.00 0.00 O ATOM 508 CB THR A 36 -4.752 4.535 -7.141 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.537 5.155 -6.756 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.430 5.445 -8.169 1.00 0.00 C ATOM 0 H THR A 36 -4.315 2.748 -5.408 1.00 0.00 H new ATOM 0 HA THR A 36 -5.879 5.275 -5.479 1.00 0.00 H new ATOM 0 HB THR A 36 -4.592 3.560 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.096 4.612 -6.070 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.775 5.572 -9.031 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.369 4.994 -8.491 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.630 6.417 -7.718 1.00 0.00 H new ATOM 518 N SER A 37 -7.953 4.334 -6.566 1.00 0.00 N ATOM 519 CA SER A 37 -9.301 3.894 -6.879 1.00 0.00 C ATOM 520 C SER A 37 -9.371 2.482 -7.477 1.00 0.00 C ATOM 521 O SER A 37 -8.965 2.280 -8.619 1.00 0.00 O ATOM 522 CB SER A 37 -9.889 4.930 -7.841 1.00 0.00 C ATOM 523 OG SER A 37 -9.507 6.225 -7.403 1.00 0.00 O ATOM 0 H SER A 37 -7.850 5.343 -6.675 1.00 0.00 H new ATOM 0 HA SER A 37 -9.875 3.825 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.529 4.752 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.975 4.846 -7.869 1.00 0.00 H new ATOM 0 HG SER A 37 -9.876 6.898 -8.012 1.00 0.00 H new ATOM 529 N GLY A 38 -9.887 1.517 -6.711 1.00 0.00 N ATOM 530 CA GLY A 38 -10.068 0.137 -7.139 1.00 0.00 C ATOM 531 C GLY A 38 -9.005 -0.814 -6.591 1.00 0.00 C ATOM 532 O GLY A 38 -9.278 -2.005 -6.451 1.00 0.00 O ATOM 0 H GLY A 38 -10.196 1.683 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.052 -0.208 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.053 0.098 -8.228 1.00 0.00 H new ATOM 536 N GLU A 39 -7.798 -0.329 -6.287 1.00 0.00 N ATOM 537 CA GLU A 39 -6.741 -1.187 -5.770 1.00 0.00 C ATOM 538 C GLU A 39 -7.119 -1.742 -4.394 1.00 0.00 C ATOM 539 O GLU A 39 -7.814 -1.084 -3.616 1.00 0.00 O ATOM 540 CB GLU A 39 -5.408 -0.432 -5.703 1.00 0.00 C ATOM 541 CG GLU A 39 -4.923 -0.019 -7.101 1.00 0.00 C ATOM 542 CD GLU A 39 -3.529 0.599 -7.053 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.352 1.540 -6.249 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.665 0.121 -7.820 1.00 0.00 O ATOM 0 H GLU A 39 -7.534 0.651 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.620 -2.026 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.522 0.455 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.656 -1.061 -5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.913 -0.891 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.624 0.696 -7.533 1.00 0.00 H new ATOM 551 N ASP A 40 -6.654 -2.963 -4.107 1.00 0.00 N ATOM 552 CA ASP A 40 -6.884 -3.622 -2.830 1.00 0.00 C ATOM 553 C ASP A 40 -6.124 -2.875 -1.732 1.00 0.00 C ATOM 554 O ASP A 40 -5.093 -2.261 -2.006 1.00 0.00 O ATOM 555 CB ASP A 40 -6.456 -5.092 -2.908 1.00 0.00 C ATOM 556 CG ASP A 40 -6.984 -5.893 -1.720 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.283 -5.910 -0.686 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.076 -6.482 -1.873 1.00 0.00 O ATOM 0 H ASP A 40 -6.105 -3.519 -4.762 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.947 -3.602 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.824 -5.530 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.368 -5.154 -2.935 1.00 0.00 H new ATOM 563 N CYS A 41 -6.623 -2.922 -0.498 1.00 0.00 N ATOM 564 CA CYS A 41 -6.019 -2.255 0.646 1.00 0.00 C ATOM 565 C CYS A 41 -6.191 -3.104 1.888 1.00 0.00 C ATOM 566 O CYS A 41 -7.102 -3.925 1.973 1.00 0.00 O ATOM 567 CB CYS A 41 -6.673 -0.894 0.873 1.00 0.00 C ATOM 568 SG CYS A 41 -8.448 -0.966 1.195 1.00 0.00 S ATOM 0 H CYS A 41 -7.473 -3.435 -0.265 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.957 -2.113 0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.183 -0.404 1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.500 -0.270 -0.004 1.00 0.00 H new ATOM 573 N HIS A 42 -5.317 -2.875 2.866 1.00 0.00 N ATOM 574 CA HIS A 42 -5.365 -3.555 4.144 1.00 0.00 C ATOM 575 C HIS A 42 -6.038 -2.598 5.123 1.00 0.00 C ATOM 576 O HIS A 42 -5.632 -1.436 5.176 1.00 0.00 O ATOM 577 CB HIS A 42 -3.934 -3.872 4.589 1.00 0.00 C ATOM 578 CG HIS A 42 -3.865 -4.892 5.681 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.470 -4.698 6.922 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.269 -6.119 5.653 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.201 -5.820 7.597 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.485 -6.704 6.883 1.00 0.00 N ATOM 0 H HIS A 42 -4.552 -2.205 2.786 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.919 -4.492 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.365 -4.230 3.731 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.455 -2.954 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.729 -6.551 4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.526 -5.997 8.612 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.165 -7.623 7.189 1.00 0.00 H new ATOM 590 N PRO A 43 -7.044 -3.008 5.904 1.00 0.00 N ATOM 591 CA PRO A 43 -7.657 -2.100 6.859 1.00 0.00 C ATOM 592 C PRO A 43 -6.618 -1.527 7.835 1.00 0.00 C ATOM 593 O PRO A 43 -6.821 -0.434 8.356 1.00 0.00 O ATOM 594 CB PRO A 43 -8.750 -2.912 7.560 1.00 0.00 C ATOM 595 CG PRO A 43 -8.336 -4.368 7.341 1.00 0.00 C ATOM 596 CD PRO A 43 -7.634 -4.334 5.984 1.00 0.00 C ATOM 0 HA PRO A 43 -8.087 -1.225 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.807 -2.670 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.732 -2.709 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.671 -4.720 8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.199 -5.034 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.873 -5.111 5.913 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.339 -4.503 5.170 1.00 0.00 H new ATOM 604 N ALA A 44 -5.501 -2.232 8.064 1.00 0.00 N ATOM 605 CA ALA A 44 -4.424 -1.779 8.933 1.00 0.00 C ATOM 606 C ALA A 44 -3.239 -1.197 8.146 1.00 0.00 C ATOM 607 O ALA A 44 -2.141 -1.131 8.695 1.00 0.00 O ATOM 608 CB ALA A 44 -3.976 -2.952 9.812 1.00 0.00 C ATOM 0 H ALA A 44 -5.325 -3.144 7.642 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.800 -0.967 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.169 -2.627 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.817 -3.298 10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.623 -3.767 9.180 1.00 0.00 H new ATOM 614 N SER A 45 -3.422 -0.774 6.886 1.00 0.00 N ATOM 615 CA SER A 45 -2.350 -0.192 6.088 1.00 0.00 C ATOM 616 C SER A 45 -1.708 0.995 6.815 1.00 0.00 C ATOM 617 O SER A 45 -2.294 2.077 6.840 1.00 0.00 O ATOM 618 CB SER A 45 -2.912 0.315 4.756 1.00 0.00 C ATOM 619 OG SER A 45 -3.353 -0.718 3.903 1.00 0.00 O ATOM 0 H SER A 45 -4.317 -0.829 6.399 1.00 0.00 H new ATOM 0 HA SER A 45 -1.601 -0.966 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.743 0.991 4.955 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.145 0.896 4.244 1.00 0.00 H new ATOM 0 HG SER A 45 -4.193 -1.089 4.245 1.00 0.00 H new ATOM 625 N HIS A 46 -0.502 0.827 7.370 1.00 0.00 N ATOM 626 CA HIS A 46 0.161 1.921 8.073 1.00 0.00 C ATOM 627 C HIS A 46 0.378 3.103 7.133 1.00 0.00 C ATOM 628 O HIS A 46 0.603 2.931 5.931 1.00 0.00 O ATOM 629 CB HIS A 46 1.468 1.475 8.727 1.00 0.00 C ATOM 630 CG HIS A 46 1.934 2.334 9.879 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.042 3.721 9.789 1.00 0.00 N ATOM 632 CD2 HIS A 46 2.263 1.957 11.154 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.456 4.121 10.993 1.00 0.00 C ATOM 634 NE2 HIS A 46 2.603 3.098 11.850 1.00 0.00 N ATOM 0 H HIS A 46 0.026 -0.046 7.345 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.495 2.243 8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.348 0.452 9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.249 1.458 7.967 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.257 0.950 11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.651 5.152 11.249 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.906 3.154 12.822 1.00 0.00 H new ATOM 642 N LYS A 47 0.335 4.290 7.723 1.00 0.00 N ATOM 643 CA LYS A 47 0.441 5.581 7.058 1.00 0.00 C ATOM 644 C LYS A 47 1.775 5.746 6.333 1.00 0.00 C ATOM 645 O LYS A 47 2.664 4.910 6.459 1.00 0.00 O ATOM 646 CB LYS A 47 0.219 6.703 8.083 1.00 0.00 C ATOM 647 CG LYS A 47 -1.158 6.630 8.757 1.00 0.00 C ATOM 648 CD LYS A 47 -2.291 6.714 7.723 1.00 0.00 C ATOM 649 CE LYS A 47 -3.643 6.997 8.388 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.034 5.915 9.310 1.00 0.00 N ATOM 0 H LYS A 47 0.219 4.383 8.732 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.333 5.638 6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.995 6.650 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.325 7.668 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.242 5.699 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.257 7.444 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.068 7.500 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.347 5.778 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.590 7.939 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.408 7.116 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.990 6.099 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.026 5.007 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.362 5.874 10.103 1.00 0.00 H new ATOM 664 N ILE A 48 1.893 6.813 5.539 1.00 0.00 N ATOM 665 CA ILE A 48 3.082 7.147 4.760 1.00 0.00 C ATOM 666 C ILE A 48 3.600 8.486 5.300 1.00 0.00 C ATOM 667 O ILE A 48 2.777 9.369 5.552 1.00 0.00 O ATOM 668 CB ILE A 48 2.699 7.260 3.268 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.192 5.910 2.728 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.866 7.742 2.391 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.497 6.063 1.372 1.00 0.00 C ATOM 0 H ILE A 48 1.138 7.488 5.419 1.00 0.00 H new ATOM 0 HA ILE A 48 3.854 6.382 4.846 1.00 0.00 H new ATOM 0 HB ILE A 48 1.905 8.005 3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.030 5.220 2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.498 5.470 3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.540 7.803 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.192 8.726 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.695 7.039 2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.154 5.088 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.643 6.732 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.198 6.478 0.648 1.00 0.00 H new ATOM 683 N PRO A 49 4.919 8.691 5.450 1.00 0.00 N ATOM 684 CA PRO A 49 5.991 7.746 5.174 1.00 0.00 C ATOM 685 C PRO A 49 6.232 6.820 6.370 1.00 0.00 C ATOM 686 O PRO A 49 6.453 7.285 7.486 1.00 0.00 O ATOM 687 CB PRO A 49 7.217 8.622 4.903 1.00 0.00 C ATOM 688 CG PRO A 49 6.985 9.842 5.795 1.00 0.00 C ATOM 689 CD PRO A 49 5.463 9.996 5.790 1.00 0.00 C ATOM 0 HA PRO A 49 5.756 7.093 4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.143 8.107 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.287 8.901 3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.370 9.683 6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.481 10.729 5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.103 10.325 6.765 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.151 10.748 5.065 1.00 0.00 H new ATOM 697 N PHE A 50 6.231 5.507 6.134 1.00 0.00 N ATOM 698 CA PHE A 50 6.530 4.506 7.144 1.00 0.00 C ATOM 699 C PHE A 50 7.988 4.111 6.939 1.00 0.00 C ATOM 700 O PHE A 50 8.312 3.378 6.005 1.00 0.00 O ATOM 701 CB PHE A 50 5.608 3.293 6.973 1.00 0.00 C ATOM 702 CG PHE A 50 5.838 2.183 7.977 1.00 0.00 C ATOM 703 CD1 PHE A 50 5.419 2.348 9.310 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.456 0.982 7.582 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.615 1.316 10.244 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.636 -0.056 8.512 1.00 0.00 C ATOM 707 CZ PHE A 50 6.220 0.112 9.844 1.00 0.00 C ATOM 0 H PHE A 50 6.018 5.109 5.219 1.00 0.00 H new ATOM 0 HA PHE A 50 6.370 4.893 8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.573 3.626 7.049 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.740 2.891 5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.946 3.269 9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.792 0.858 6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.301 1.448 11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.094 -0.984 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.365 -0.684 10.560 1.00 0.00 H new ATOM 717 N SER A 51 8.879 4.613 7.797 1.00 0.00 N ATOM 718 CA SER A 51 10.312 4.363 7.740 1.00 0.00 C ATOM 719 C SER A 51 10.679 2.932 8.164 1.00 0.00 C ATOM 720 O SER A 51 11.603 2.738 8.954 1.00 0.00 O ATOM 721 CB SER A 51 11.008 5.398 8.631 1.00 0.00 C ATOM 722 OG SER A 51 10.430 6.674 8.424 1.00 0.00 O ATOM 0 H SER A 51 8.611 5.221 8.571 1.00 0.00 H new ATOM 0 HA SER A 51 10.648 4.460 6.708 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.914 5.112 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.073 5.430 8.403 1.00 0.00 H new ATOM 0 HG SER A 51 10.877 7.332 8.997 1.00 0.00 H new ATOM 728 N GLY A 52 9.990 1.925 7.626 1.00 0.00 N ATOM 729 CA GLY A 52 10.213 0.530 7.939 1.00 0.00 C ATOM 730 C GLY A 52 9.677 -0.343 6.813 1.00 0.00 C ATOM 731 O GLY A 52 9.112 0.149 5.837 1.00 0.00 O ATOM 0 H GLY A 52 9.245 2.070 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 52 11.278 0.345 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.719 0.275 8.876 1.00 0.00 H new ATOM 735 N GLN A 53 9.853 -1.653 6.963 1.00 0.00 N ATOM 736 CA GLN A 53 9.440 -2.635 5.981 1.00 0.00 C ATOM 737 C GLN A 53 7.968 -2.957 6.232 1.00 0.00 C ATOM 738 O GLN A 53 7.657 -3.824 7.046 1.00 0.00 O ATOM 739 CB GLN A 53 10.335 -3.879 6.106 1.00 0.00 C ATOM 740 CG GLN A 53 11.779 -3.653 5.625 1.00 0.00 C ATOM 741 CD GLN A 53 12.541 -2.598 6.425 1.00 0.00 C ATOM 742 OE1 GLN A 53 13.003 -2.857 7.530 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.663 -1.389 5.885 1.00 0.00 N ATOM 0 H GLN A 53 10.295 -2.063 7.786 1.00 0.00 H new ATOM 0 HA GLN A 53 9.546 -2.258 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.354 -4.199 7.148 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.893 -4.693 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.321 -4.597 5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.760 -3.356 4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.269 -1.200 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.151 -0.651 6.392 1.00 0.00 H new ATOM 752 N ARG A 54 7.051 -2.230 5.584 1.00 0.00 N ATOM 753 CA ARG A 54 5.623 -2.483 5.751 1.00 0.00 C ATOM 754 C ARG A 54 5.306 -3.902 5.255 1.00 0.00 C ATOM 755 O ARG A 54 5.366 -4.186 4.061 1.00 0.00 O ATOM 756 CB ARG A 54 4.741 -1.390 5.108 1.00 0.00 C ATOM 757 CG ARG A 54 5.089 -1.077 3.649 1.00 0.00 C ATOM 758 CD ARG A 54 4.147 -0.098 2.945 1.00 0.00 C ATOM 759 NE ARG A 54 4.171 1.250 3.536 1.00 0.00 N ATOM 760 CZ ARG A 54 3.188 1.782 4.279 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.159 1.037 4.695 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.221 3.067 4.614 1.00 0.00 N ATOM 0 H ARG A 54 7.274 -1.468 4.944 1.00 0.00 H new ATOM 0 HA ARG A 54 5.374 -2.430 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.698 -1.703 5.162 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.830 -0.476 5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.100 -0.671 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.101 -2.011 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.421 -0.032 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.130 -0.488 2.985 1.00 0.00 H new ATOM 0 HE ARG A 54 4.998 1.823 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.113 0.048 4.448 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.420 1.457 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.996 3.654 4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.471 3.466 5.179 1.00 0.00 H new ATOM 776 N MET A 55 5.000 -4.808 6.186 1.00 0.00 N ATOM 777 CA MET A 55 4.687 -6.196 5.877 1.00 0.00 C ATOM 778 C MET A 55 3.499 -6.283 4.916 1.00 0.00 C ATOM 779 O MET A 55 3.466 -7.142 4.038 1.00 0.00 O ATOM 780 CB MET A 55 4.408 -6.941 7.190 1.00 0.00 C ATOM 781 CG MET A 55 4.227 -8.450 6.975 1.00 0.00 C ATOM 782 SD MET A 55 3.854 -9.411 8.466 1.00 0.00 S ATOM 783 CE MET A 55 5.399 -9.225 9.384 1.00 0.00 C ATOM 0 H MET A 55 4.963 -4.593 7.182 1.00 0.00 H new ATOM 0 HA MET A 55 5.534 -6.665 5.376 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.231 -6.771 7.884 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.511 -6.532 7.654 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.423 -8.603 6.255 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.137 -8.847 6.526 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.397 -9.900 10.240 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.240 -9.465 8.733 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.493 -8.197 9.734 1.00 0.00 H new ATOM 793 N HIS A 56 2.507 -5.408 5.101 1.00 0.00 N ATOM 794 CA HIS A 56 1.316 -5.402 4.270 1.00 0.00 C ATOM 795 C HIS A 56 1.671 -5.123 2.812 1.00 0.00 C ATOM 796 O HIS A 56 2.222 -4.074 2.485 1.00 0.00 O ATOM 797 CB HIS A 56 0.286 -4.388 4.783 1.00 0.00 C ATOM 798 CG HIS A 56 -0.132 -4.596 6.214 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.506 -3.519 7.012 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.191 -5.745 6.959 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.783 -4.056 8.202 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.607 -5.387 8.224 1.00 0.00 N ATOM 0 H HIS A 56 2.513 -4.692 5.827 1.00 0.00 H new ATOM 0 HA HIS A 56 0.866 -6.393 4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.700 -3.385 4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.599 -4.435 4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.044 -6.743 6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.113 -3.482 9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.752 -6.010 9.019 1.00 0.00 H new ATOM 810 N HIS A 57 1.325 -6.076 1.943 1.00 0.00 N ATOM 811 CA HIS A 57 1.545 -5.991 0.508 1.00 0.00 C ATOM 812 C HIS A 57 0.899 -4.755 -0.113 1.00 0.00 C ATOM 813 O HIS A 57 1.421 -4.162 -1.052 1.00 0.00 O ATOM 814 CB HIS A 57 1.045 -7.276 -0.175 1.00 0.00 C ATOM 815 CG HIS A 57 2.135 -7.869 -1.009 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.687 -9.120 -1.029 1.00 0.00 N flip ATOM 817 CD2 HIS A 57 2.819 -7.064 -1.901 1.00 0.00 C flip ATOM 818 CE1 HIS A 57 3.792 -9.072 -1.842 1.00 0.00 C flip ATOM 819 NE2 HIS A 57 3.794 -7.838 -2.354 1.00 0.00 N flip ATOM 0 H HIS A 57 0.875 -6.945 2.230 1.00 0.00 H new ATOM 0 HA HIS A 57 2.618 -5.891 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.720 -7.995 0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.179 -7.053 -0.798 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.341 -9.940 -0.530 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.607 -6.039 -2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.506 -9.861 -2.028 1.00 0.00 H new ATOM 827 N THR A 58 -0.267 -4.383 0.405 1.00 0.00 N ATOM 828 CA THR A 58 -1.073 -3.299 -0.109 1.00 0.00 C ATOM 829 C THR A 58 -0.867 -2.057 0.754 1.00 0.00 C ATOM 830 O THR A 58 -0.786 -2.170 1.977 1.00 0.00 O ATOM 831 CB THR A 58 -2.518 -3.794 -0.064 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.878 -4.055 1.280 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.649 -5.116 -0.833 1.00 0.00 C ATOM 0 H THR A 58 -0.682 -4.844 1.215 1.00 0.00 H new ATOM 0 HA THR A 58 -0.802 -3.020 -1.127 1.00 0.00 H new ATOM 0 HB THR A 58 -3.158 -3.031 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.805 -4.371 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.683 -5.459 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.356 -4.963 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.001 -5.866 -0.380 1.00 0.00 H new ATOM 841 N CYS A 59 -0.840 -0.882 0.126 1.00 0.00 N ATOM 842 CA CYS A 59 -0.562 0.391 0.782 1.00 0.00 C ATOM 843 C CYS A 59 -1.832 1.170 1.088 1.00 0.00 C ATOM 844 O CYS A 59 -2.891 0.844 0.552 1.00 0.00 O ATOM 845 CB CYS A 59 0.409 1.168 -0.103 1.00 0.00 C ATOM 846 SG CYS A 59 2.082 0.644 0.292 1.00 0.00 S ATOM 0 H CYS A 59 -1.015 -0.789 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.104 0.216 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.193 0.984 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.298 2.240 0.063 1.00 0.00 H new ATOM 851 N PRO A 60 -1.749 2.189 1.963 1.00 0.00 N ATOM 852 CA PRO A 60 -2.926 2.927 2.367 1.00 0.00 C ATOM 853 C PRO A 60 -3.498 3.708 1.190 1.00 0.00 C ATOM 854 O PRO A 60 -2.776 4.149 0.295 1.00 0.00 O ATOM 855 CB PRO A 60 -2.492 3.842 3.514 1.00 0.00 C ATOM 856 CG PRO A 60 -1.011 4.060 3.228 1.00 0.00 C ATOM 857 CD PRO A 60 -0.563 2.729 2.621 1.00 0.00 C ATOM 0 HA PRO A 60 -3.724 2.263 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.046 4.780 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.652 3.376 4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.854 4.889 2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.457 4.293 4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.250 2.875 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.196 2.049 3.390 1.00 0.00 H new ATOM 865 N CYS A 61 -4.820 3.849 1.213 1.00 0.00 N ATOM 866 CA CYS A 61 -5.596 4.559 0.218 1.00 0.00 C ATOM 867 C CYS A 61 -5.141 6.006 0.131 1.00 0.00 C ATOM 868 O CYS A 61 -4.902 6.650 1.152 1.00 0.00 O ATOM 869 CB CYS A 61 -7.072 4.415 0.565 1.00 0.00 C ATOM 870 SG CYS A 61 -7.649 2.705 0.533 1.00 0.00 S ATOM 0 H CYS A 61 -5.396 3.454 1.956 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.441 4.134 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.247 4.832 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.662 5.004 -0.137 1.00 0.00 H new ATOM 875 N ALA A 62 -4.982 6.500 -1.098 1.00 0.00 N ATOM 876 CA ALA A 62 -4.562 7.868 -1.326 1.00 0.00 C ATOM 877 C ALA A 62 -5.593 8.792 -0.678 1.00 0.00 C ATOM 878 O ALA A 62 -6.770 8.443 -0.682 1.00 0.00 O ATOM 879 CB ALA A 62 -4.453 8.161 -2.823 1.00 0.00 C ATOM 0 H ALA A 62 -5.141 5.963 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.577 8.031 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.136 9.194 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.721 7.490 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.424 8.009 -3.295 1.00 0.00 H new ATOM 885 N PRO A 63 -5.175 9.959 -0.169 1.00 0.00 N ATOM 886 CA PRO A 63 -6.012 10.928 0.528 1.00 0.00 C ATOM 887 C PRO A 63 -7.470 11.092 0.065 1.00 0.00 C ATOM 888 O PRO A 63 -8.336 11.342 0.899 1.00 0.00 O ATOM 889 CB PRO A 63 -5.211 12.231 0.490 1.00 0.00 C ATOM 890 CG PRO A 63 -3.767 11.732 0.596 1.00 0.00 C ATOM 891 CD PRO A 63 -3.777 10.369 -0.107 1.00 0.00 C ATOM 0 HA PRO A 63 -6.200 10.560 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.382 12.786 -0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.474 12.894 1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.073 12.421 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.455 11.639 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.347 10.442 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.181 9.641 0.444 1.00 0.00 H new ATOM 899 N ASN A 64 -7.768 10.984 -1.234 1.00 0.00 N ATOM 900 CA ASN A 64 -9.138 11.107 -1.727 1.00 0.00 C ATOM 901 C ASN A 64 -10.002 9.906 -1.329 1.00 0.00 C ATOM 902 O ASN A 64 -11.201 10.058 -1.098 1.00 0.00 O ATOM 903 CB ASN A 64 -9.148 11.224 -3.257 1.00 0.00 C ATOM 904 CG ASN A 64 -8.378 12.435 -3.759 1.00 0.00 C ATOM 905 OD1 ASN A 64 -7.151 12.427 -3.783 1.00 0.00 O ATOM 906 ND2 ASN A 64 -9.085 13.477 -4.184 1.00 0.00 N ATOM 0 H ASN A 64 -7.075 10.811 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.555 12.006 -1.273 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.718 10.321 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.179 11.284 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.609 14.304 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.104 13.450 -4.150 1.00 0.00 H new ATOM 913 N LEU A 65 -9.418 8.706 -1.326 1.00 0.00 N ATOM 914 CA LEU A 65 -10.100 7.452 -1.083 1.00 0.00 C ATOM 915 C LEU A 65 -10.030 7.033 0.387 1.00 0.00 C ATOM 916 O LEU A 65 -9.338 7.645 1.198 1.00 0.00 O ATOM 917 CB LEU A 65 -9.422 6.369 -1.934 1.00 0.00 C ATOM 918 CG LEU A 65 -9.265 6.636 -3.433 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.432 7.385 -4.064 1.00 0.00 C ATOM 920 CD2 LEU A 65 -7.940 7.303 -3.784 1.00 0.00 C ATOM 0 H LEU A 65 -8.420 8.586 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.151 7.576 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.430 6.189 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.989 5.446 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.266 5.640 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.238 7.532 -5.127 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.347 6.806 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.547 8.354 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.889 7.466 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.867 8.260 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.116 6.660 -3.475 1.00 0.00 H new ATOM 932 N ALA A 66 -10.729 5.943 0.707 1.00 0.00 N ATOM 933 CA ALA A 66 -10.755 5.290 2.003 1.00 0.00 C ATOM 934 C ALA A 66 -10.757 3.781 1.750 1.00 0.00 C ATOM 935 O ALA A 66 -11.175 3.330 0.681 1.00 0.00 O ATOM 936 CB ALA A 66 -11.982 5.739 2.797 1.00 0.00 C ATOM 0 H ALA A 66 -11.323 5.471 0.026 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.884 5.559 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.990 5.242 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.946 6.819 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.886 5.477 2.248 1.00 0.00 H new ATOM 942 N CYS A 67 -10.234 3.009 2.711 1.00 0.00 N ATOM 943 CA CYS A 67 -10.135 1.558 2.604 1.00 0.00 C ATOM 944 C CYS A 67 -11.454 0.927 3.040 1.00 0.00 C ATOM 945 O CYS A 67 -11.649 0.690 4.231 1.00 0.00 O ATOM 946 CB CYS A 67 -8.964 1.033 3.453 1.00 0.00 C ATOM 947 SG CYS A 67 -8.672 -0.738 3.251 1.00 0.00 S ATOM 0 H CYS A 67 -9.867 3.381 3.587 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.940 1.285 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.058 1.576 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.163 1.244 4.504 1.00 0.00 H new ATOM 952 N VAL A 68 -12.360 0.667 2.094 1.00 0.00 N ATOM 953 CA VAL A 68 -13.674 0.105 2.389 1.00 0.00 C ATOM 954 C VAL A 68 -13.685 -1.392 2.111 1.00 0.00 C ATOM 955 O VAL A 68 -13.005 -1.880 1.211 1.00 0.00 O ATOM 956 CB VAL A 68 -14.784 0.866 1.649 1.00 0.00 C ATOM 957 CG1 VAL A 68 -14.510 1.026 0.150 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.174 0.252 1.853 1.00 0.00 C ATOM 0 H VAL A 68 -12.200 0.842 1.102 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.883 0.231 3.451 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.778 1.857 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.332 1.572 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.581 1.578 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.422 0.042 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.914 0.836 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.176 -0.774 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.422 0.257 2.914 1.00 0.00 H new ATOM 968 N GLN A 69 -14.454 -2.127 2.913 1.00 0.00 N ATOM 969 CA GLN A 69 -14.562 -3.572 2.798 1.00 0.00 C ATOM 970 C GLN A 69 -15.430 -3.933 1.591 1.00 0.00 C ATOM 971 O GLN A 69 -16.446 -3.287 1.347 1.00 0.00 O ATOM 972 CB GLN A 69 -15.001 -4.167 4.144 1.00 0.00 C ATOM 973 CG GLN A 69 -16.507 -4.133 4.405 1.00 0.00 C ATOM 974 CD GLN A 69 -17.306 -5.169 3.613 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.676 -6.261 3.184 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -18.490 -4.979 3.361 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.020 -1.730 3.663 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.596 -4.032 2.591 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.662 -5.202 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.496 -3.627 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.683 -4.291 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.883 -3.139 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.954 -4.136 3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.011 -5.664 2.813 1.00 0.00 H new ATOM 985 N THR A 70 -15.015 -4.952 0.840 1.00 0.00 N ATOM 986 CA THR A 70 -15.732 -5.479 -0.314 1.00 0.00 C ATOM 987 C THR A 70 -16.193 -6.906 -0.011 1.00 0.00 C ATOM 988 O THR A 70 -17.309 -7.288 -0.361 1.00 0.00 O ATOM 989 CB THR A 70 -14.882 -5.357 -1.587 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.645 -6.030 -1.468 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.614 -3.883 -1.904 1.00 0.00 C ATOM 0 H THR A 70 -14.143 -5.447 1.026 1.00 0.00 H new ATOM 0 HA THR A 70 -16.627 -4.888 -0.508 1.00 0.00 H new ATOM 0 HB THR A 70 -15.449 -5.822 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.480 -6.248 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.010 -3.809 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.561 -3.366 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.079 -3.423 -1.073 1.00 0.00 H new ATOM 999 N SER A 71 -15.361 -7.716 0.653 1.00 0.00 N ATOM 1000 CA SER A 71 -15.739 -9.048 1.111 1.00 0.00 C ATOM 1001 C SER A 71 -14.905 -9.364 2.360 1.00 0.00 C ATOM 1002 O SER A 71 -14.042 -8.557 2.714 1.00 0.00 O ATOM 1003 CB SER A 71 -15.555 -10.077 -0.015 1.00 0.00 C ATOM 1004 OG SER A 71 -15.926 -9.538 -1.269 1.00 0.00 O ATOM 0 H SER A 71 -14.402 -7.460 0.887 1.00 0.00 H new ATOM 0 HA SER A 71 -16.795 -9.091 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.515 -10.400 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.157 -10.961 0.196 1.00 0.00 H new ATOM 0 HG SER A 71 -15.797 -10.214 -1.967 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.148 -10.486 3.059 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.384 -10.855 4.241 1.00 0.00 C ATOM 1012 C PRO A 72 -12.880 -10.824 3.960 1.00 0.00 C ATOM 1013 O PRO A 72 -12.399 -11.552 3.096 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.878 -12.251 4.633 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.322 -12.242 4.135 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.211 -11.453 2.831 1.00 0.00 C ATOM 0 HA PRO A 72 -14.533 -10.150 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.290 -13.037 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.821 -12.414 5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.701 -13.250 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.994 -11.761 4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.974 -12.109 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.151 -10.956 2.591 1.00 0.00 H new ATOM 1024 N LYS A 73 -12.156 -9.949 4.666 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.715 -9.752 4.539 1.00 0.00 C ATOM 1026 C LYS A 73 -10.296 -9.233 3.153 1.00 0.00 C ATOM 1027 O LYS A 73 -9.118 -9.303 2.810 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.944 -11.022 4.938 1.00 0.00 C ATOM 1029 CG LYS A 73 -10.318 -11.611 6.309 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.921 -10.726 7.503 1.00 0.00 C ATOM 1031 CE LYS A 73 -11.073 -9.848 8.009 1.00 0.00 C ATOM 1032 NZ LYS A 73 -10.661 -9.048 9.176 1.00 0.00 N ATOM 0 H LYS A 73 -12.576 -9.338 5.366 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.445 -8.963 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.110 -11.783 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.878 -10.796 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.394 -11.780 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.839 -12.584 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.570 -11.360 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.086 -10.088 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.407 -9.186 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.922 -10.477 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.460 -8.464 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.366 -9.683 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.866 -8.432 8.911 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.229 -8.676 2.372 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.956 -8.081 1.071 1.00 0.00 C ATOM 1048 C LYS A 74 -11.485 -6.656 1.105 1.00 0.00 C ATOM 1049 O LYS A 74 -12.699 -6.452 1.049 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.647 -8.861 -0.050 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.229 -10.330 -0.093 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.820 -10.959 -1.359 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.751 -12.487 -1.279 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.333 -13.113 -2.478 1.00 0.00 N ATOM 0 H LYS A 74 -12.213 -8.628 2.638 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.885 -8.102 0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.727 -8.799 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.416 -8.394 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.142 -10.416 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.587 -10.853 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.856 -10.641 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.274 -10.609 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.713 -12.801 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.283 -12.831 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.271 -14.148 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.330 -12.832 -2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.809 -12.802 -3.321 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.593 -5.673 1.226 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.946 -4.264 1.242 1.00 0.00 C ATOM 1070 C PHE A 75 -10.290 -3.609 0.031 1.00 0.00 C ATOM 1071 O PHE A 75 -9.225 -4.049 -0.404 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.486 -3.584 2.540 1.00 0.00 C ATOM 1073 CG PHE A 75 -11.203 -3.917 3.842 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.299 -5.243 4.309 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.650 -2.865 4.667 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.869 -5.514 5.565 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -12.184 -3.133 5.938 1.00 0.00 C ATOM 1078 CZ PHE A 75 -12.294 -4.459 6.389 1.00 0.00 C ATOM 0 H PHE A 75 -9.591 -5.842 1.317 1.00 0.00 H new ATOM 0 HA PHE A 75 -12.030 -4.155 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.430 -3.817 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.558 -2.507 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.933 -6.055 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.581 -1.845 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.980 -6.536 5.897 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.510 -2.319 6.569 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.704 -4.666 7.366 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.925 -2.573 -0.521 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.426 -1.837 -1.674 1.00 0.00 C ATOM 1090 C LYS A 76 -10.551 -0.335 -1.431 1.00 0.00 C ATOM 1091 O LYS A 76 -11.346 0.114 -0.601 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.143 -2.259 -2.968 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.117 -3.779 -3.179 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.542 -4.125 -4.612 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.556 -5.640 -4.844 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.680 -6.296 -4.154 1.00 0.00 N ATOM 0 H LYS A 76 -11.815 -2.220 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.371 -2.079 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.177 -1.916 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.671 -1.768 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.115 -4.163 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.785 -4.263 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.534 -3.717 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.859 -3.654 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.620 -5.842 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.617 -6.069 -4.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.575 -7.328 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.684 -6.016 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.575 -6.008 -4.598 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.733 0.435 -2.148 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.706 1.883 -2.039 1.00 0.00 C ATOM 1112 C CYS A 77 -10.775 2.483 -2.931 1.00 0.00 C ATOM 1113 O CYS A 77 -10.684 2.352 -4.150 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.333 2.423 -2.442 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.013 1.967 -1.311 1.00 0.00 S ATOM 0 H CYS A 77 -9.067 0.063 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.900 2.160 -1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.087 2.057 -3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.385 3.510 -2.506 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.779 3.136 -2.347 1.00 0.00 N ATOM 1121 CA LEU A 78 -12.831 3.813 -3.095 1.00 0.00 C ATOM 1122 C LEU A 78 -13.089 5.161 -2.429 1.00 0.00 C ATOM 1123 O LEU A 78 -12.582 5.422 -1.340 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.109 2.958 -3.129 1.00 0.00 C ATOM 1125 CG LEU A 78 -13.959 1.615 -3.869 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.220 0.771 -3.654 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -13.763 1.816 -5.378 1.00 0.00 C ATOM 0 H LEU A 78 -11.884 3.209 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.521 3.965 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.427 2.761 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.904 3.533 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.079 1.113 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.115 -0.180 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.357 0.586 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.086 1.306 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -13.661 0.846 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.625 2.340 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.863 2.406 -5.553 1.00 0.00 H new ATOM 1139 N SER A 79 -13.872 6.031 -3.072 1.00 0.00 N ATOM 1140 CA SER A 79 -14.200 7.354 -2.551 1.00 0.00 C ATOM 1141 C SER A 79 -15.277 7.280 -1.459 1.00 0.00 C ATOM 1142 O SER A 79 -16.202 8.090 -1.452 1.00 0.00 O ATOM 1143 CB SER A 79 -14.641 8.243 -3.719 1.00 0.00 C ATOM 1144 OG SER A 79 -13.811 8.006 -4.844 1.00 0.00 O ATOM 0 H SER A 79 -14.298 5.832 -3.977 1.00 0.00 H new ATOM 0 HA SER A 79 -13.317 7.787 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.681 8.036 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.586 9.293 -3.430 1.00 0.00 H new ATOM 0 HG SER A 79 -14.098 8.575 -5.588 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.173 6.289 -0.576 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.047 5.997 0.544 1.00 0.00 C ATOM 1152 C LYS A 80 -15.374 4.855 1.305 1.00 0.00 C ATOM 1153 O LYS A 80 -14.520 4.198 0.666 1.00 0.00 O ATOM 1154 CB LYS A 80 -17.477 5.622 0.110 1.00 0.00 C ATOM 1155 CG LYS A 80 -17.603 4.363 -0.770 1.00 0.00 C ATOM 1156 CD LYS A 80 -17.483 4.583 -2.286 1.00 0.00 C ATOM 1157 CE LYS A 80 -18.627 5.431 -2.862 1.00 0.00 C ATOM 1158 NZ LYS A 80 -18.239 6.840 -3.049 1.00 0.00 N ATOM 1159 OXT LYS A 80 -15.720 4.657 2.489 1.00 0.00 O ATOM 0 H LYS A 80 -14.408 5.616 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.176 6.882 1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.082 5.478 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.905 6.465 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.835 3.653 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.567 3.897 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.532 5.070 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.467 3.616 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.940 5.013 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.487 5.379 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.081 7.445 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.550 7.110 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.811 6.960 -3.989 1.00 0.00 H new