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 37 SER OG : rot -94:sc= 1.06 USER MOD Set 1.2: A 79 SER OG : rot 171:sc= 0.935 USER MOD Set 2.1: A 71 SER OG : rot -130:sc= 0.42 USER MOD Set 2.2: A 74 LYS NZ :NH3+ 179:sc= 0.672 (180deg=0) USER MOD Set 3.1: A 46 HIS : no HD1:sc= 0.244 K(o=0.24,f=-8.7!) USER MOD Set 3.2: A 56 HIS : no HD1:sc= 0 X(o=0.24,f=0.17) USER MOD Set 4.1: A 45 SER OG : rot 71:sc= 1.95 USER MOD Set 4.2: A 58 THR OG1 : rot 105:sc= 1.16 USER MOD Single : A 12 GLN : amide:sc= 2.71 K(o=2.7,f=-9.8!) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0299) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 22 SER OG : rot 76:sc= 0.6 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0.574 (180deg=0.55) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 73:sc= -0.122 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-8.4!) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= 1.11 (180deg=0.118) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.842 K(o=0.84,f=-2.3) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-4.4!) USER MOD Single : A 64 ASN : amide:sc= 1.12 K(o=1.1,f=-0.3) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.33 F(o=-2.6,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -13:sc= 1.15 USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0.433 (180deg=0.287) USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0.618 (180deg=0.618) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.77) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.679 2.105 -7.167 1.00 0.00 N ATOM 62 CA GLY A 5 12.639 1.161 -7.553 1.00 0.00 C ATOM 63 C GLY A 5 12.438 0.140 -6.438 1.00 0.00 C ATOM 64 O GLY A 5 11.317 -0.083 -5.982 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.706 1.691 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.917 0.655 -8.478 1.00 0.00 H new ATOM 68 N ALA A 6 13.544 -0.474 -6.007 1.00 0.00 N ATOM 69 CA ALA A 6 13.573 -1.373 -4.866 1.00 0.00 C ATOM 70 C ALA A 6 13.680 -0.506 -3.612 1.00 0.00 C ATOM 71 O ALA A 6 14.411 0.486 -3.611 1.00 0.00 O ATOM 72 CB ALA A 6 14.761 -2.330 -4.982 1.00 0.00 C ATOM 0 H ALA A 6 14.454 -0.354 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 6 12.672 -1.984 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.774 -3.000 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.669 -2.916 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.688 -1.757 -5.010 1.00 0.00 H new ATOM 78 N CYS A 7 12.953 -0.867 -2.556 1.00 0.00 N ATOM 79 CA CYS A 7 12.903 -0.122 -1.307 1.00 0.00 C ATOM 80 C CYS A 7 12.891 -1.082 -0.124 1.00 0.00 C ATOM 81 O CYS A 7 12.775 -2.296 -0.280 1.00 0.00 O ATOM 82 CB CYS A 7 11.646 0.758 -1.284 1.00 0.00 C ATOM 83 SG CYS A 7 10.104 -0.185 -1.306 1.00 0.00 S ATOM 0 H CYS A 7 12.371 -1.705 -2.549 1.00 0.00 H new ATOM 0 HA CYS A 7 13.787 0.512 -1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.667 1.384 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.665 1.428 -2.144 1.00 0.00 H new ATOM 88 N GLU A 8 13.039 -0.500 1.062 1.00 0.00 N ATOM 89 CA GLU A 8 13.016 -1.119 2.367 1.00 0.00 C ATOM 90 C GLU A 8 11.873 -0.456 3.141 1.00 0.00 C ATOM 91 O GLU A 8 11.048 -1.151 3.728 1.00 0.00 O ATOM 92 CB GLU A 8 14.350 -0.833 3.050 1.00 0.00 C ATOM 93 CG GLU A 8 15.575 -1.410 2.328 1.00 0.00 C ATOM 94 CD GLU A 8 16.811 -0.587 2.675 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.403 -0.857 3.743 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.103 0.347 1.895 1.00 0.00 O ATOM 0 H GLU A 8 13.191 0.506 1.131 1.00 0.00 H new ATOM 0 HA GLU A 8 12.868 -2.198 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.473 0.246 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.318 -1.236 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.725 -2.450 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.411 -1.402 1.250 1.00 0.00 H new ATOM 103 N ARG A 9 11.828 0.886 3.139 1.00 0.00 N ATOM 104 CA ARG A 9 10.761 1.679 3.738 1.00 0.00 C ATOM 105 C ARG A 9 10.448 2.878 2.841 1.00 0.00 C ATOM 106 O ARG A 9 11.267 3.281 2.016 1.00 0.00 O ATOM 107 CB ARG A 9 11.053 2.066 5.197 1.00 0.00 C ATOM 108 CG ARG A 9 11.968 3.277 5.448 1.00 0.00 C ATOM 109 CD ARG A 9 13.384 3.157 4.878 1.00 0.00 C ATOM 110 NE ARG A 9 14.124 2.044 5.484 1.00 0.00 N ATOM 111 CZ ARG A 9 15.338 1.639 5.084 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.949 2.245 4.060 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.922 0.600 5.688 1.00 0.00 N ATOM 0 H ARG A 9 12.555 1.457 2.708 1.00 0.00 H new ATOM 0 HA ARG A 9 9.863 1.064 3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.100 2.258 5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.498 1.202 5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.496 4.162 5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.040 3.441 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.330 3.013 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.924 4.088 5.049 1.00 0.00 H new ATOM 0 HE ARG A 9 13.687 1.546 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.491 3.019 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.873 1.933 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.444 0.119 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.845 0.288 5.387 1.00 0.00 H new ATOM 127 N ASP A 10 9.257 3.452 3.018 1.00 0.00 N ATOM 128 CA ASP A 10 8.704 4.512 2.172 1.00 0.00 C ATOM 129 C ASP A 10 9.627 5.719 2.037 1.00 0.00 C ATOM 130 O ASP A 10 9.661 6.353 0.988 1.00 0.00 O ATOM 131 CB ASP A 10 7.343 4.961 2.707 1.00 0.00 C ATOM 132 CG ASP A 10 6.492 3.797 3.175 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.737 3.374 4.323 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.628 3.322 2.404 1.00 0.00 O ATOM 0 H ASP A 10 8.631 3.184 3.777 1.00 0.00 H new ATOM 0 HA ASP A 10 8.594 4.083 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.492 5.654 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.811 5.506 1.927 1.00 0.00 H new ATOM 139 N LEU A 11 10.361 6.039 3.104 1.00 0.00 N ATOM 140 CA LEU A 11 11.268 7.177 3.180 1.00 0.00 C ATOM 141 C LEU A 11 12.167 7.326 1.945 1.00 0.00 C ATOM 142 O LEU A 11 12.425 8.448 1.517 1.00 0.00 O ATOM 143 CB LEU A 11 12.101 7.059 4.466 1.00 0.00 C ATOM 144 CG LEU A 11 13.035 8.251 4.737 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.261 9.565 4.906 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.838 7.972 6.013 1.00 0.00 C ATOM 0 H LEU A 11 10.337 5.493 3.965 1.00 0.00 H new ATOM 0 HA LEU A 11 10.665 8.085 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.424 6.945 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.700 6.150 4.413 1.00 0.00 H new ATOM 0 HG LEU A 11 13.695 8.364 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.962 10.378 5.095 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.698 9.775 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.572 9.476 5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.504 8.811 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.154 7.841 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.427 7.065 5.881 1.00 0.00 H new ATOM 158 N GLN A 12 12.662 6.219 1.377 1.00 0.00 N ATOM 159 CA GLN A 12 13.562 6.280 0.223 1.00 0.00 C ATOM 160 C GLN A 12 12.826 6.358 -1.121 1.00 0.00 C ATOM 161 O GLN A 12 13.477 6.390 -2.164 1.00 0.00 O ATOM 162 CB GLN A 12 14.539 5.097 0.268 1.00 0.00 C ATOM 163 CG GLN A 12 13.885 3.764 -0.110 1.00 0.00 C ATOM 164 CD GLN A 12 14.540 2.621 0.647 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.945 2.074 1.568 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.765 2.251 0.290 1.00 0.00 N ATOM 0 H GLN A 12 12.454 5.274 1.698 1.00 0.00 H new ATOM 0 HA GLN A 12 14.122 7.212 0.295 1.00 0.00 H new ATOM 0 HB2 GLN A 12 15.369 5.293 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.959 5.018 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.820 3.797 0.118 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.977 3.598 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.236 2.724 -0.481 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.234 1.494 0.787 1.00 0.00 H new ATOM 175 N CYS A 13 11.492 6.353 -1.117 1.00 0.00 N ATOM 176 CA CYS A 13 10.672 6.393 -2.320 1.00 0.00 C ATOM 177 C CYS A 13 10.164 7.819 -2.571 1.00 0.00 C ATOM 178 O CYS A 13 10.124 8.638 -1.655 1.00 0.00 O ATOM 179 CB CYS A 13 9.525 5.388 -2.186 1.00 0.00 C ATOM 180 SG CYS A 13 8.697 5.136 -3.759 1.00 0.00 S ATOM 0 H CYS A 13 10.944 6.320 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 13 11.270 6.110 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.912 4.437 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.808 5.747 -1.448 1.00 0.00 H new ATOM 185 N GLY A 14 9.811 8.146 -3.818 1.00 0.00 N ATOM 186 CA GLY A 14 9.376 9.486 -4.194 1.00 0.00 C ATOM 187 C GLY A 14 7.966 9.816 -3.702 1.00 0.00 C ATOM 188 O GLY A 14 7.106 8.942 -3.595 1.00 0.00 O ATOM 0 H GLY A 14 9.820 7.484 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.076 10.216 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.408 9.581 -5.279 1.00 0.00 H new ATOM 192 N LYS A 15 7.724 11.101 -3.432 1.00 0.00 N ATOM 193 CA LYS A 15 6.445 11.620 -2.983 1.00 0.00 C ATOM 194 C LYS A 15 5.402 11.372 -4.072 1.00 0.00 C ATOM 195 O LYS A 15 5.444 11.975 -5.141 1.00 0.00 O ATOM 196 CB LYS A 15 6.565 13.109 -2.644 1.00 0.00 C ATOM 197 CG LYS A 15 7.503 13.332 -1.451 1.00 0.00 C ATOM 198 CD LYS A 15 7.494 14.817 -1.069 1.00 0.00 C ATOM 199 CE LYS A 15 8.351 15.099 0.172 1.00 0.00 C ATOM 200 NZ LYS A 15 9.773 14.783 -0.051 1.00 0.00 N ATOM 0 H LYS A 15 8.438 11.824 -3.525 1.00 0.00 H new ATOM 0 HA LYS A 15 6.131 11.107 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.939 13.653 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.579 13.513 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.183 12.725 -0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.515 13.016 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.864 15.409 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.469 15.136 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.253 16.149 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.977 14.512 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.329 15.083 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.883 13.758 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.112 15.285 -0.897 1.00 0.00 H new ATOM 214 N GLY A 16 4.483 10.459 -3.772 1.00 0.00 N ATOM 215 CA GLY A 16 3.434 9.974 -4.663 1.00 0.00 C ATOM 216 C GLY A 16 3.405 8.444 -4.634 1.00 0.00 C ATOM 217 O GLY A 16 2.396 7.816 -4.962 1.00 0.00 O ATOM 0 H GLY A 16 4.448 10.015 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.467 10.372 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.614 10.326 -5.679 1.00 0.00 H new ATOM 221 N THR A 17 4.519 7.841 -4.220 1.00 0.00 N ATOM 222 CA THR A 17 4.668 6.409 -4.093 1.00 0.00 C ATOM 223 C THR A 17 5.153 6.085 -2.679 1.00 0.00 C ATOM 224 O THR A 17 5.947 6.816 -2.095 1.00 0.00 O ATOM 225 CB THR A 17 5.686 5.918 -5.140 1.00 0.00 C ATOM 226 OG1 THR A 17 6.742 6.852 -5.259 1.00 0.00 O ATOM 227 CG2 THR A 17 5.106 5.784 -6.549 1.00 0.00 C ATOM 0 H THR A 17 5.359 8.357 -3.959 1.00 0.00 H new ATOM 0 HA THR A 17 3.715 5.908 -4.264 1.00 0.00 H new ATOM 0 HB THR A 17 6.008 4.940 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.427 6.659 -4.585 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.882 5.434 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.284 5.069 -6.537 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.739 6.754 -6.885 1.00 0.00 H new ATOM 235 N CYS A 18 4.648 4.983 -2.141 1.00 0.00 N ATOM 236 CA CYS A 18 5.000 4.399 -0.857 1.00 0.00 C ATOM 237 C CYS A 18 5.974 3.252 -1.141 1.00 0.00 C ATOM 238 O CYS A 18 6.292 2.996 -2.303 1.00 0.00 O ATOM 239 CB CYS A 18 3.728 3.802 -0.246 1.00 0.00 C ATOM 240 SG CYS A 18 3.327 2.211 -1.004 1.00 0.00 S ATOM 0 H CYS A 18 3.934 4.438 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 18 5.437 5.138 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.863 3.673 0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.896 4.493 -0.382 1.00 0.00 H new ATOM 245 N CYS A 19 6.383 2.509 -0.112 1.00 0.00 N ATOM 246 CA CYS A 19 7.180 1.303 -0.278 1.00 0.00 C ATOM 247 C CYS A 19 6.272 0.141 0.103 1.00 0.00 C ATOM 248 O CYS A 19 5.740 0.162 1.213 1.00 0.00 O ATOM 249 CB CYS A 19 8.396 1.360 0.644 1.00 0.00 C ATOM 250 SG CYS A 19 9.381 -0.142 0.638 1.00 0.00 S ATOM 0 H CYS A 19 6.168 2.731 0.860 1.00 0.00 H new ATOM 0 HA CYS A 19 7.547 1.194 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.027 2.198 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.060 1.559 1.662 1.00 0.00 H new ATOM 255 N ALA A 20 6.034 -0.825 -0.797 1.00 0.00 N ATOM 256 CA ALA A 20 5.187 -1.984 -0.513 1.00 0.00 C ATOM 257 C ALA A 20 5.946 -3.274 -0.790 1.00 0.00 C ATOM 258 O ALA A 20 6.914 -3.278 -1.540 1.00 0.00 O ATOM 259 CB ALA A 20 3.875 -1.939 -1.297 1.00 0.00 C ATOM 0 H ALA A 20 6.424 -0.821 -1.739 1.00 0.00 H new ATOM 0 HA ALA A 20 4.926 -1.953 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.277 -2.818 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.322 -1.039 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.090 -1.928 -2.366 1.00 0.00 H new ATOM 265 N VAL A 21 5.509 -4.364 -0.165 1.00 0.00 N ATOM 266 CA VAL A 21 6.146 -5.671 -0.241 1.00 0.00 C ATOM 267 C VAL A 21 6.134 -6.231 -1.670 1.00 0.00 C ATOM 268 O VAL A 21 5.314 -5.814 -2.487 1.00 0.00 O ATOM 269 CB VAL A 21 5.423 -6.604 0.752 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.147 -7.940 0.927 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.308 -5.923 2.119 1.00 0.00 C ATOM 0 H VAL A 21 4.677 -4.360 0.425 1.00 0.00 H new ATOM 0 HA VAL A 21 7.199 -5.588 0.030 1.00 0.00 H new ATOM 0 HB VAL A 21 4.435 -6.805 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.599 -8.561 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.205 -8.451 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.154 -7.761 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.796 -6.588 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.305 -5.698 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.741 -4.998 2.018 1.00 0.00 H new ATOM 281 N SER A 22 7.037 -7.173 -1.974 1.00 0.00 N ATOM 282 CA SER A 22 7.055 -7.901 -3.239 1.00 0.00 C ATOM 283 C SER A 22 6.205 -9.177 -3.139 1.00 0.00 C ATOM 284 O SER A 22 6.204 -9.871 -2.121 1.00 0.00 O ATOM 285 CB SER A 22 8.499 -8.206 -3.671 1.00 0.00 C ATOM 286 OG SER A 22 8.568 -9.375 -4.480 1.00 0.00 O ATOM 0 H SER A 22 7.783 -7.451 -1.336 1.00 0.00 H new ATOM 0 HA SER A 22 6.612 -7.272 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.901 -7.357 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.124 -8.337 -2.787 1.00 0.00 H new ATOM 0 HG SER A 22 8.247 -9.168 -5.383 1.00 0.00 H new ATOM 292 N LEU A 23 5.470 -9.484 -4.213 1.00 0.00 N ATOM 293 CA LEU A 23 4.649 -10.687 -4.338 1.00 0.00 C ATOM 294 C LEU A 23 5.529 -11.936 -4.457 1.00 0.00 C ATOM 295 O LEU A 23 5.040 -13.045 -4.262 1.00 0.00 O ATOM 296 CB LEU A 23 3.797 -10.605 -5.622 1.00 0.00 C ATOM 297 CG LEU A 23 2.517 -9.759 -5.579 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.442 -10.455 -4.746 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.733 -8.348 -5.040 1.00 0.00 C ATOM 0 H LEU A 23 5.430 -8.886 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 23 4.020 -10.753 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.430 -10.215 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.518 -11.620 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 23 2.193 -9.661 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.542 -9.841 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.210 -11.424 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.806 -10.598 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.785 -7.810 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.120 -8.402 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.448 -7.822 -5.673 1.00 0.00 H new ATOM 311 N TRP A 24 6.813 -11.765 -4.788 1.00 0.00 N ATOM 312 CA TRP A 24 7.698 -12.865 -5.149 1.00 0.00 C ATOM 313 C TRP A 24 8.570 -13.287 -3.972 1.00 0.00 C ATOM 314 O TRP A 24 8.861 -14.469 -3.810 1.00 0.00 O ATOM 315 CB TRP A 24 8.493 -12.431 -6.391 1.00 0.00 C ATOM 316 CG TRP A 24 7.672 -11.616 -7.354 1.00 0.00 C ATOM 317 CD1 TRP A 24 7.918 -10.331 -7.695 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.341 -11.913 -7.881 1.00 0.00 C ATOM 319 NE1 TRP A 24 6.831 -9.804 -8.363 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.831 -10.739 -8.506 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.466 -13.018 -7.801 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.525 -10.659 -9.008 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.158 -12.957 -8.315 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.676 -11.767 -8.883 1.00 0.00 C ATOM 0 H TRP A 24 7.266 -10.851 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 24 7.130 -13.761 -5.399 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.360 -11.849 -6.077 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.871 -13.316 -6.902 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.830 -9.796 -7.477 1.00 0.00 H new ATOM 0 HE1 TRP A 24 6.776 -8.845 -8.706 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.808 -13.930 -7.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.177 -9.755 -9.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.522 -13.829 -8.273 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.653 -11.706 -9.223 1.00 0.00 H new ATOM 335 N ILE A 25 8.974 -12.327 -3.140 1.00 0.00 N ATOM 336 CA ILE A 25 9.752 -12.582 -1.944 1.00 0.00 C ATOM 337 C ILE A 25 9.468 -11.462 -0.947 1.00 0.00 C ATOM 338 O ILE A 25 9.861 -10.319 -1.168 1.00 0.00 O ATOM 339 CB ILE A 25 11.242 -12.802 -2.280 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.113 -12.762 -1.013 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.839 -11.826 -3.304 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.483 -13.416 -1.216 1.00 0.00 C ATOM 0 H ILE A 25 8.763 -11.340 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 25 9.456 -13.517 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 25 11.255 -13.790 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.252 -11.726 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.590 -13.268 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.889 -12.068 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.296 -11.909 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.756 -10.807 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.054 -13.359 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.349 -14.461 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.021 -12.894 -2.007 1.00 0.00 H new ATOM 354 N LYS A 26 8.795 -11.807 0.158 1.00 0.00 N ATOM 355 CA LYS A 26 8.408 -10.893 1.229 1.00 0.00 C ATOM 356 C LYS A 26 9.603 -10.114 1.795 1.00 0.00 C ATOM 357 O LYS A 26 9.426 -9.083 2.443 1.00 0.00 O ATOM 358 CB LYS A 26 7.653 -11.690 2.308 1.00 0.00 C ATOM 359 CG LYS A 26 7.136 -10.806 3.454 1.00 0.00 C ATOM 360 CD LYS A 26 6.125 -11.512 4.372 1.00 0.00 C ATOM 361 CE LYS A 26 4.844 -11.989 3.671 1.00 0.00 C ATOM 362 NZ LYS A 26 4.221 -10.938 2.845 1.00 0.00 N ATOM 0 H LYS A 26 8.496 -12.766 0.333 1.00 0.00 H new ATOM 0 HA LYS A 26 7.744 -10.129 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.812 -12.208 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.314 -12.455 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.983 -10.470 4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.670 -9.915 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.612 -12.371 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.850 -10.831 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.077 -12.848 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.129 -12.327 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.318 -11.286 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.049 -10.094 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.856 -10.692 2.059 1.00 0.00 H new ATOM 376 N SER A 27 10.822 -10.610 1.579 1.00 0.00 N ATOM 377 CA SER A 27 12.031 -9.939 2.004 1.00 0.00 C ATOM 378 C SER A 27 12.269 -8.651 1.201 1.00 0.00 C ATOM 379 O SER A 27 12.863 -7.722 1.742 1.00 0.00 O ATOM 380 CB SER A 27 13.202 -10.919 1.887 1.00 0.00 C ATOM 381 OG SER A 27 12.815 -12.178 2.409 1.00 0.00 O ATOM 0 H SER A 27 10.989 -11.495 1.100 1.00 0.00 H new ATOM 0 HA SER A 27 11.933 -9.630 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.502 -11.022 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.066 -10.537 2.431 1.00 0.00 H new ATOM 0 HG SER A 27 13.563 -12.807 2.333 1.00 0.00 H new ATOM 387 N VAL A 28 11.831 -8.586 -0.068 1.00 0.00 N ATOM 388 CA VAL A 28 12.017 -7.407 -0.915 1.00 0.00 C ATOM 389 C VAL A 28 10.738 -6.574 -0.975 1.00 0.00 C ATOM 390 O VAL A 28 9.632 -7.092 -0.806 1.00 0.00 O ATOM 391 CB VAL A 28 12.580 -7.792 -2.300 1.00 0.00 C ATOM 392 CG1 VAL A 28 11.614 -8.235 -3.388 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.350 -6.622 -2.910 1.00 0.00 C ATOM 0 H VAL A 28 11.339 -9.351 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 28 12.773 -6.764 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 28 13.178 -8.665 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.171 -8.469 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.073 -9.121 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.905 -7.433 -3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.739 -6.912 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.683 -5.768 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.178 -6.350 -2.255 1.00 0.00 H new ATOM 403 N ARG A 29 10.901 -5.267 -1.197 1.00 0.00 N ATOM 404 CA ARG A 29 9.826 -4.292 -1.262 1.00 0.00 C ATOM 405 C ARG A 29 10.149 -3.354 -2.429 1.00 0.00 C ATOM 406 O ARG A 29 11.321 -3.199 -2.779 1.00 0.00 O ATOM 407 CB ARG A 29 9.701 -3.566 0.093 1.00 0.00 C ATOM 408 CG ARG A 29 9.946 -4.516 1.267 1.00 0.00 C ATOM 409 CD ARG A 29 9.553 -3.921 2.625 1.00 0.00 C ATOM 410 NE ARG A 29 8.657 -4.841 3.334 1.00 0.00 N ATOM 411 CZ ARG A 29 8.953 -6.139 3.526 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.216 -6.568 3.490 1.00 0.00 N ATOM 413 NH2 ARG A 29 7.989 -7.044 3.698 1.00 0.00 N ATOM 0 H ARG A 29 11.821 -4.851 -1.341 1.00 0.00 H new ATOM 0 HA ARG A 29 8.854 -4.752 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.417 -2.745 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.707 -3.127 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.383 -5.435 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.001 -4.789 1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.446 -3.736 3.223 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.061 -2.959 2.481 1.00 0.00 H new ATOM 0 HE ARG A 29 7.774 -4.482 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.974 -5.908 3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.424 -7.556 3.638 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.011 -6.756 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.230 -8.025 3.842 1.00 0.00 H new ATOM 427 N VAL A 30 9.132 -2.769 -3.067 1.00 0.00 N ATOM 428 CA VAL A 30 9.277 -1.903 -4.228 1.00 0.00 C ATOM 429 C VAL A 30 8.379 -0.667 -4.116 1.00 0.00 C ATOM 430 O VAL A 30 7.336 -0.695 -3.449 1.00 0.00 O ATOM 431 CB VAL A 30 8.977 -2.692 -5.517 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.000 -3.812 -5.746 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.564 -3.297 -5.521 1.00 0.00 C ATOM 0 H VAL A 30 8.161 -2.891 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 30 10.308 -1.552 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 30 9.045 -1.967 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.755 -4.346 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.998 -3.382 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.975 -4.505 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.404 -3.842 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.458 -3.979 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.826 -2.499 -5.437 1.00 0.00 H new ATOM 443 N CYS A 31 8.801 0.428 -4.762 1.00 0.00 N ATOM 444 CA CYS A 31 8.033 1.666 -4.815 1.00 0.00 C ATOM 445 C CYS A 31 6.671 1.344 -5.422 1.00 0.00 C ATOM 446 O CYS A 31 6.598 0.823 -6.532 1.00 0.00 O ATOM 447 CB CYS A 31 8.725 2.745 -5.654 1.00 0.00 C ATOM 448 SG CYS A 31 9.910 3.802 -4.792 1.00 0.00 S ATOM 0 H CYS A 31 9.689 0.474 -5.262 1.00 0.00 H new ATOM 0 HA CYS A 31 7.938 2.062 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.242 2.256 -6.479 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.956 3.381 -6.092 1.00 0.00 H new ATOM 453 N THR A 32 5.601 1.646 -4.692 1.00 0.00 N ATOM 454 CA THR A 32 4.232 1.327 -5.061 1.00 0.00 C ATOM 455 C THR A 32 3.398 2.606 -4.957 1.00 0.00 C ATOM 456 O THR A 32 3.433 3.241 -3.909 1.00 0.00 O ATOM 457 CB THR A 32 3.777 0.232 -4.088 1.00 0.00 C ATOM 458 OG1 THR A 32 4.555 -0.922 -4.345 1.00 0.00 O ATOM 459 CG2 THR A 32 2.284 -0.110 -4.161 1.00 0.00 C ATOM 0 H THR A 32 5.669 2.135 -3.799 1.00 0.00 H new ATOM 0 HA THR A 32 4.125 0.962 -6.083 1.00 0.00 H new ATOM 0 HB THR A 32 3.926 0.612 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.465 -0.784 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.054 -0.893 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.696 0.779 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.039 -0.459 -5.164 1.00 0.00 H new ATOM 467 N PRO A 33 2.698 3.050 -6.013 1.00 0.00 N ATOM 468 CA PRO A 33 1.859 4.241 -5.949 1.00 0.00 C ATOM 469 C PRO A 33 0.843 4.171 -4.810 1.00 0.00 C ATOM 470 O PRO A 33 0.370 3.081 -4.487 1.00 0.00 O ATOM 471 CB PRO A 33 1.136 4.299 -7.298 1.00 0.00 C ATOM 472 CG PRO A 33 2.103 3.593 -8.246 1.00 0.00 C ATOM 473 CD PRO A 33 2.713 2.506 -7.361 1.00 0.00 C ATOM 0 HA PRO A 33 2.463 5.128 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.171 3.794 -7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.946 5.326 -7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.588 3.170 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.862 4.274 -8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.136 1.583 -7.418 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.729 2.267 -7.677 1.00 0.00 H new ATOM 481 N VAL A 34 0.503 5.313 -4.196 1.00 0.00 N ATOM 482 CA VAL A 34 -0.639 5.309 -3.275 1.00 0.00 C ATOM 483 C VAL A 34 -1.847 4.793 -4.075 1.00 0.00 C ATOM 484 O VAL A 34 -1.983 5.072 -5.268 1.00 0.00 O ATOM 485 CB VAL A 34 -0.972 6.704 -2.705 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.277 7.027 -1.380 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.636 7.810 -3.703 1.00 0.00 C ATOM 0 H VAL A 34 0.976 6.209 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.394 4.681 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.045 6.666 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.566 8.025 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.573 6.297 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.804 6.989 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.883 8.779 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.428 7.778 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.213 7.664 -4.616 1.00 0.00 H new ATOM 497 N GLY A 35 -2.723 4.037 -3.423 1.00 0.00 N ATOM 498 CA GLY A 35 -3.881 3.437 -4.065 1.00 0.00 C ATOM 499 C GLY A 35 -4.817 4.493 -4.658 1.00 0.00 C ATOM 500 O GLY A 35 -5.002 5.565 -4.080 1.00 0.00 O ATOM 0 H GLY A 35 -2.647 3.823 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.549 2.762 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.427 2.835 -3.339 1.00 0.00 H new ATOM 504 N THR A 36 -5.404 4.187 -5.816 1.00 0.00 N ATOM 505 CA THR A 36 -6.363 5.024 -6.518 1.00 0.00 C ATOM 506 C THR A 36 -7.731 4.329 -6.486 1.00 0.00 C ATOM 507 O THR A 36 -7.830 3.171 -6.078 1.00 0.00 O ATOM 508 CB THR A 36 -5.859 5.266 -7.950 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.550 4.041 -8.583 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.588 6.121 -7.932 1.00 0.00 C ATOM 0 H THR A 36 -5.213 3.313 -6.306 1.00 0.00 H new ATOM 0 HA THR A 36 -6.471 5.998 -6.040 1.00 0.00 H new ATOM 0 HB THR A 36 -6.652 5.779 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.233 4.214 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.244 6.283 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.803 7.082 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.812 5.607 -7.365 1.00 0.00 H new ATOM 518 N SER A 37 -8.789 5.027 -6.906 1.00 0.00 N ATOM 519 CA SER A 37 -10.144 4.500 -6.943 1.00 0.00 C ATOM 520 C SER A 37 -10.201 3.109 -7.587 1.00 0.00 C ATOM 521 O SER A 37 -9.847 2.957 -8.753 1.00 0.00 O ATOM 522 CB SER A 37 -11.011 5.484 -7.729 1.00 0.00 C ATOM 523 OG SER A 37 -10.820 6.788 -7.214 1.00 0.00 O ATOM 0 H SER A 37 -8.721 5.990 -7.234 1.00 0.00 H new ATOM 0 HA SER A 37 -10.512 4.389 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.747 5.456 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.061 5.201 -7.655 1.00 0.00 H new ATOM 0 HG SER A 37 -11.511 6.980 -6.546 1.00 0.00 H new ATOM 529 N GLY A 38 -10.643 2.107 -6.825 1.00 0.00 N ATOM 530 CA GLY A 38 -10.801 0.734 -7.275 1.00 0.00 C ATOM 531 C GLY A 38 -9.585 -0.148 -6.999 1.00 0.00 C ATOM 532 O GLY A 38 -9.686 -1.361 -7.174 1.00 0.00 O ATOM 0 H GLY A 38 -10.907 2.239 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.672 0.299 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.003 0.733 -8.346 1.00 0.00 H new ATOM 536 N GLU A 39 -8.445 0.413 -6.580 1.00 0.00 N ATOM 537 CA GLU A 39 -7.278 -0.402 -6.268 1.00 0.00 C ATOM 538 C GLU A 39 -7.497 -1.151 -4.953 1.00 0.00 C ATOM 539 O GLU A 39 -8.290 -0.728 -4.110 1.00 0.00 O ATOM 540 CB GLU A 39 -6.009 0.458 -6.205 1.00 0.00 C ATOM 541 CG GLU A 39 -5.678 1.078 -7.570 1.00 0.00 C ATOM 542 CD GLU A 39 -5.423 0.032 -8.651 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.647 -0.906 -8.363 1.00 0.00 O ATOM 544 OE2 GLU A 39 -6.010 0.186 -9.743 1.00 0.00 O ATOM 0 H GLU A 39 -8.311 1.416 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.142 -1.133 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.142 1.250 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.171 -0.153 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.502 1.721 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.798 1.713 -7.471 1.00 0.00 H new ATOM 551 N ASP A 40 -6.791 -2.273 -4.793 1.00 0.00 N ATOM 552 CA ASP A 40 -6.878 -3.114 -3.609 1.00 0.00 C ATOM 553 C ASP A 40 -6.395 -2.373 -2.363 1.00 0.00 C ATOM 554 O ASP A 40 -5.654 -1.395 -2.450 1.00 0.00 O ATOM 555 CB ASP A 40 -6.095 -4.413 -3.822 1.00 0.00 C ATOM 556 CG ASP A 40 -6.720 -5.261 -4.924 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.603 -6.077 -4.584 1.00 0.00 O ATOM 558 OD2 ASP A 40 -6.314 -5.060 -6.089 1.00 0.00 O ATOM 0 H ASP A 40 -6.137 -2.622 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.926 -3.368 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.062 -4.180 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.070 -4.982 -2.892 1.00 0.00 H new ATOM 563 N CYS A 41 -6.819 -2.861 -1.199 1.00 0.00 N ATOM 564 CA CYS A 41 -6.510 -2.301 0.104 1.00 0.00 C ATOM 565 C CYS A 41 -6.593 -3.414 1.148 1.00 0.00 C ATOM 566 O CYS A 41 -7.115 -4.502 0.899 1.00 0.00 O ATOM 567 CB CYS A 41 -7.525 -1.200 0.453 1.00 0.00 C ATOM 568 SG CYS A 41 -7.157 -0.172 1.893 1.00 0.00 S ATOM 0 H CYS A 41 -7.410 -3.690 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.508 -1.871 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.627 -0.546 -0.413 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.495 -1.671 0.612 1.00 0.00 H new ATOM 573 N HIS A 42 -6.094 -3.100 2.334 1.00 0.00 N ATOM 574 CA HIS A 42 -6.116 -3.885 3.553 1.00 0.00 C ATOM 575 C HIS A 42 -6.386 -2.839 4.635 1.00 0.00 C ATOM 576 O HIS A 42 -5.759 -1.777 4.577 1.00 0.00 O ATOM 577 CB HIS A 42 -4.752 -4.562 3.750 1.00 0.00 C ATOM 578 CG HIS A 42 -4.669 -5.475 4.943 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.960 -5.030 6.233 1.00 0.00 N ATOM 580 CD2 HIS A 42 -4.307 -6.795 5.003 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.786 -6.102 7.012 1.00 0.00 C ATOM 582 NE2 HIS A 42 -4.392 -7.184 6.323 1.00 0.00 N ATOM 0 H HIS A 42 -5.621 -2.208 2.477 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.857 -4.685 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.513 -5.135 2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.989 -3.790 3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.010 -7.416 4.171 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.945 -6.098 8.080 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -4.195 -8.111 6.701 1.00 0.00 H new ATOM 590 N PRO A 43 -7.294 -3.058 5.595 1.00 0.00 N ATOM 591 CA PRO A 43 -7.594 -2.059 6.609 1.00 0.00 C ATOM 592 C PRO A 43 -6.346 -1.619 7.386 1.00 0.00 C ATOM 593 O PRO A 43 -6.327 -0.511 7.913 1.00 0.00 O ATOM 594 CB PRO A 43 -8.649 -2.697 7.519 1.00 0.00 C ATOM 595 CG PRO A 43 -8.457 -4.199 7.302 1.00 0.00 C ATOM 596 CD PRO A 43 -8.047 -4.276 5.834 1.00 0.00 C ATOM 0 HA PRO A 43 -7.966 -1.140 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.497 -2.421 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.656 -2.379 7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.689 -4.608 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.373 -4.757 7.496 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.441 -5.161 5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.919 -4.336 5.182 1.00 0.00 H new ATOM 604 N ALA A 44 -5.292 -2.446 7.429 1.00 0.00 N ATOM 605 CA ALA A 44 -4.049 -2.119 8.113 1.00 0.00 C ATOM 606 C ALA A 44 -2.985 -1.613 7.132 1.00 0.00 C ATOM 607 O ALA A 44 -1.794 -1.769 7.395 1.00 0.00 O ATOM 608 CB ALA A 44 -3.553 -3.343 8.889 1.00 0.00 C ATOM 0 H ALA A 44 -5.286 -3.364 6.985 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.241 -1.309 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.622 -3.097 9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.304 -3.637 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.380 -4.167 8.197 1.00 0.00 H new ATOM 614 N SER A 45 -3.384 -1.002 6.007 1.00 0.00 N ATOM 615 CA SER A 45 -2.456 -0.371 5.082 1.00 0.00 C ATOM 616 C SER A 45 -1.839 0.849 5.774 1.00 0.00 C ATOM 617 O SER A 45 -2.326 1.968 5.633 1.00 0.00 O ATOM 618 CB SER A 45 -3.194 0.023 3.805 1.00 0.00 C ATOM 619 OG SER A 45 -3.568 -1.144 3.100 1.00 0.00 O ATOM 0 H SER A 45 -4.361 -0.936 5.721 1.00 0.00 H new ATOM 0 HA SER A 45 -1.658 -1.059 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.078 0.612 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.556 0.649 3.181 1.00 0.00 H new ATOM 0 HG SER A 45 -4.281 -1.607 3.588 1.00 0.00 H new ATOM 625 N HIS A 46 -0.777 0.584 6.534 1.00 0.00 N ATOM 626 CA HIS A 46 -0.012 1.493 7.381 1.00 0.00 C ATOM 627 C HIS A 46 0.248 2.851 6.757 1.00 0.00 C ATOM 628 O HIS A 46 0.316 2.985 5.537 1.00 0.00 O ATOM 629 CB HIS A 46 1.355 0.900 7.766 1.00 0.00 C ATOM 630 CG HIS A 46 1.464 -0.579 7.559 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.540 -1.132 6.277 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.229 -1.560 8.471 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.323 -2.438 6.477 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.155 -2.750 7.772 1.00 0.00 N ATOM 0 H HIS A 46 -0.397 -0.362 6.575 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.645 1.627 8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.131 1.395 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.553 1.124 8.814 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.121 -1.433 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.287 -3.165 5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.003 -3.680 8.162 1.00 0.00 H new ATOM 642 N LYS A 47 0.539 3.817 7.623 1.00 0.00 N ATOM 643 CA LYS A 47 0.839 5.179 7.209 1.00 0.00 C ATOM 644 C LYS A 47 2.195 5.257 6.482 1.00 0.00 C ATOM 645 O LYS A 47 2.770 4.238 6.089 1.00 0.00 O ATOM 646 CB LYS A 47 0.679 6.131 8.413 1.00 0.00 C ATOM 647 CG LYS A 47 1.384 5.716 9.712 1.00 0.00 C ATOM 648 CD LYS A 47 2.885 5.469 9.535 1.00 0.00 C ATOM 649 CE LYS A 47 3.533 5.234 10.905 1.00 0.00 C ATOM 650 NZ LYS A 47 4.940 4.819 10.777 1.00 0.00 N ATOM 0 H LYS A 47 0.573 3.675 8.632 1.00 0.00 H new ATOM 0 HA LYS A 47 0.121 5.517 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.050 7.114 8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.385 6.241 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.237 6.494 10.461 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.917 4.810 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.048 4.605 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.349 6.324 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.475 6.148 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.975 4.469 11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.475 5.146 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.992 3.782 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.348 5.236 9.916 1.00 0.00 H new ATOM 664 N ILE A 48 2.702 6.473 6.280 1.00 0.00 N ATOM 665 CA ILE A 48 3.958 6.779 5.613 1.00 0.00 C ATOM 666 C ILE A 48 4.643 7.838 6.488 1.00 0.00 C ATOM 667 O ILE A 48 3.946 8.734 6.963 1.00 0.00 O ATOM 668 CB ILE A 48 3.658 7.330 4.200 1.00 0.00 C ATOM 669 CG1 ILE A 48 3.073 6.222 3.302 1.00 0.00 C ATOM 670 CG2 ILE A 48 4.904 7.935 3.532 1.00 0.00 C ATOM 671 CD1 ILE A 48 2.510 6.759 1.984 1.00 0.00 C ATOM 0 H ILE A 48 2.218 7.313 6.596 1.00 0.00 H new ATOM 0 HA ILE A 48 4.597 5.904 5.493 1.00 0.00 H new ATOM 0 HB ILE A 48 2.926 8.129 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.849 5.488 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.283 5.702 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.641 8.308 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.281 8.757 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.675 7.170 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.113 5.933 1.395 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.713 7.472 2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.303 7.255 1.425 1.00 0.00 H new ATOM 683 N PRO A 49 5.967 7.776 6.709 1.00 0.00 N ATOM 684 CA PRO A 49 6.844 6.670 6.364 1.00 0.00 C ATOM 685 C PRO A 49 6.614 5.518 7.343 1.00 0.00 C ATOM 686 O PRO A 49 6.392 5.759 8.529 1.00 0.00 O ATOM 687 CB PRO A 49 8.261 7.234 6.487 1.00 0.00 C ATOM 688 CG PRO A 49 8.122 8.271 7.603 1.00 0.00 C ATOM 689 CD PRO A 49 6.707 8.819 7.399 1.00 0.00 C ATOM 0 HA PRO A 49 6.664 6.277 5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.983 6.459 6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.598 7.687 5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.241 7.820 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.874 9.056 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.241 9.061 8.354 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.725 9.737 6.812 1.00 0.00 H new ATOM 697 N PHE A 50 6.669 4.269 6.872 1.00 0.00 N ATOM 698 CA PHE A 50 6.469 3.114 7.730 1.00 0.00 C ATOM 699 C PHE A 50 7.826 2.544 8.122 1.00 0.00 C ATOM 700 O PHE A 50 8.377 1.697 7.422 1.00 0.00 O ATOM 701 CB PHE A 50 5.591 2.066 7.038 1.00 0.00 C ATOM 702 CG PHE A 50 5.167 0.958 7.984 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.287 1.255 9.041 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.779 -0.309 7.925 1.00 0.00 C ATOM 705 CE1 PHE A 50 3.974 0.278 10.001 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.455 -1.289 8.881 1.00 0.00 C ATOM 707 CZ PHE A 50 4.545 -1.000 9.910 1.00 0.00 C ATOM 0 H PHE A 50 6.852 4.039 5.895 1.00 0.00 H new ATOM 0 HA PHE A 50 5.943 3.417 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.705 2.550 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.136 1.635 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.850 2.240 9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.496 -0.528 7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.295 0.511 10.808 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.908 -2.268 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.285 -1.761 10.631 1.00 0.00 H new ATOM 717 N SER A 51 8.368 3.020 9.246 1.00 0.00 N ATOM 718 CA SER A 51 9.643 2.591 9.802 1.00 0.00 C ATOM 719 C SER A 51 9.561 1.153 10.335 1.00 0.00 C ATOM 720 O SER A 51 9.675 0.921 11.536 1.00 0.00 O ATOM 721 CB SER A 51 10.035 3.578 10.907 1.00 0.00 C ATOM 722 OG SER A 51 9.864 4.902 10.431 1.00 0.00 O ATOM 0 H SER A 51 7.912 3.738 9.809 1.00 0.00 H new ATOM 0 HA SER A 51 10.407 2.588 9.024 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.420 3.415 11.792 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.071 3.417 11.205 1.00 0.00 H new ATOM 0 HG SER A 51 10.112 5.537 11.135 1.00 0.00 H new ATOM 728 N GLY A 52 9.371 0.190 9.436 1.00 0.00 N ATOM 729 CA GLY A 52 9.244 -1.225 9.715 1.00 0.00 C ATOM 730 C GLY A 52 9.036 -1.920 8.374 1.00 0.00 C ATOM 731 O GLY A 52 9.306 -1.326 7.331 1.00 0.00 O ATOM 0 H GLY A 52 9.299 0.395 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.137 -1.603 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.404 -1.414 10.383 1.00 0.00 H new ATOM 735 N GLN A 53 8.579 -3.173 8.372 1.00 0.00 N ATOM 736 CA GLN A 53 8.293 -3.927 7.157 1.00 0.00 C ATOM 737 C GLN A 53 6.783 -4.157 7.129 1.00 0.00 C ATOM 738 O GLN A 53 6.242 -4.786 8.033 1.00 0.00 O ATOM 739 CB GLN A 53 9.112 -5.225 7.144 1.00 0.00 C ATOM 740 CG GLN A 53 10.635 -4.984 7.169 1.00 0.00 C ATOM 741 CD GLN A 53 11.181 -4.288 5.919 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.784 -4.924 5.060 1.00 0.00 O ATOM 743 NE2 GLN A 53 10.996 -2.976 5.804 1.00 0.00 N ATOM 0 H GLN A 53 8.396 -3.697 9.228 1.00 0.00 H new ATOM 0 HA GLN A 53 8.583 -3.390 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.833 -5.832 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.856 -5.799 6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.882 -4.382 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.141 -5.942 7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.492 -2.467 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.358 -2.479 4.990 1.00 0.00 H new ATOM 752 N ARG A 54 6.103 -3.585 6.130 1.00 0.00 N ATOM 753 CA ARG A 54 4.649 -3.590 5.997 1.00 0.00 C ATOM 754 C ARG A 54 4.005 -4.974 6.113 1.00 0.00 C ATOM 755 O ARG A 54 2.916 -5.095 6.668 1.00 0.00 O ATOM 756 CB ARG A 54 4.258 -2.964 4.652 1.00 0.00 C ATOM 757 CG ARG A 54 4.479 -1.448 4.629 1.00 0.00 C ATOM 758 CD ARG A 54 3.803 -0.865 3.382 1.00 0.00 C ATOM 759 NE ARG A 54 3.969 0.590 3.304 1.00 0.00 N ATOM 760 CZ ARG A 54 3.179 1.481 3.918 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.138 1.073 4.647 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.429 2.783 3.810 1.00 0.00 N ATOM 0 H ARG A 54 6.568 -3.091 5.369 1.00 0.00 H new ATOM 0 HA ARG A 54 4.270 -3.007 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.842 -3.426 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.210 -3.179 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.065 -0.993 5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.545 -1.223 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.225 -1.328 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.741 -1.110 3.396 1.00 0.00 H new ATOM 0 HE ARG A 54 4.741 0.949 2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.939 0.077 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.541 1.757 5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.224 3.106 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.826 3.459 4.279 1.00 0.00 H new ATOM 776 N MET A 55 4.618 -5.987 5.497 1.00 0.00 N ATOM 777 CA MET A 55 4.151 -7.370 5.382 1.00 0.00 C ATOM 778 C MET A 55 3.060 -7.467 4.311 1.00 0.00 C ATOM 779 O MET A 55 3.099 -8.353 3.460 1.00 0.00 O ATOM 780 CB MET A 55 3.685 -7.978 6.715 1.00 0.00 C ATOM 781 CG MET A 55 4.711 -7.799 7.839 1.00 0.00 C ATOM 782 SD MET A 55 4.370 -8.759 9.333 1.00 0.00 S ATOM 783 CE MET A 55 5.703 -8.147 10.387 1.00 0.00 C ATOM 0 H MET A 55 5.516 -5.853 5.033 1.00 0.00 H new ATOM 0 HA MET A 55 5.010 -7.969 5.078 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.744 -7.515 7.011 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.487 -9.041 6.575 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.695 -8.077 7.462 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.758 -6.743 8.105 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.650 -8.634 11.361 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.664 -8.368 9.923 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.600 -7.069 10.514 1.00 0.00 H new ATOM 793 N HIS A 56 2.115 -6.529 4.343 1.00 0.00 N ATOM 794 CA HIS A 56 1.007 -6.434 3.404 1.00 0.00 C ATOM 795 C HIS A 56 1.452 -5.689 2.145 1.00 0.00 C ATOM 796 O HIS A 56 2.005 -4.594 2.240 1.00 0.00 O ATOM 797 CB HIS A 56 -0.166 -5.680 4.049 1.00 0.00 C ATOM 798 CG HIS A 56 -0.552 -6.170 5.420 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.719 -5.288 6.488 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.757 -7.448 5.865 1.00 0.00 C ATOM 801 CE1 HIS A 56 -1.017 -6.066 7.531 1.00 0.00 C ATOM 802 NE2 HIS A 56 -1.042 -7.371 7.213 1.00 0.00 N ATOM 0 H HIS A 56 2.102 -5.792 5.048 1.00 0.00 H new ATOM 0 HA HIS A 56 0.688 -7.442 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.092 -4.623 4.115 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.033 -5.756 3.393 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.705 -8.349 5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.216 -5.687 8.523 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.234 -8.150 7.843 1.00 0.00 H new ATOM 810 N HIS A 57 1.182 -6.240 0.958 1.00 0.00 N ATOM 811 CA HIS A 57 1.489 -5.608 -0.327 1.00 0.00 C ATOM 812 C HIS A 57 0.475 -4.503 -0.628 1.00 0.00 C ATOM 813 O HIS A 57 -0.040 -4.422 -1.742 1.00 0.00 O ATOM 814 CB HIS A 57 1.417 -6.662 -1.439 1.00 0.00 C ATOM 815 CG HIS A 57 2.175 -7.909 -1.120 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.646 -8.873 -0.271 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.414 -8.305 -1.529 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.589 -9.814 -0.226 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.674 -9.525 -0.959 1.00 0.00 N ATOM 0 H HIS A 57 0.737 -7.153 0.862 1.00 0.00 H new ATOM 0 HA HIS A 57 2.489 -5.177 -0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.373 -6.916 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.807 -6.234 -2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.073 -7.756 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.489 -10.724 0.347 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.515 -10.092 -1.069 1.00 0.00 H new ATOM 827 N THR A 58 0.158 -3.665 0.357 1.00 0.00 N ATOM 828 CA THR A 58 -0.877 -2.659 0.243 1.00 0.00 C ATOM 829 C THR A 58 -0.378 -1.382 0.907 1.00 0.00 C ATOM 830 O THR A 58 0.448 -1.426 1.821 1.00 0.00 O ATOM 831 CB THR A 58 -2.177 -3.201 0.869 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.054 -3.304 2.271 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.531 -4.600 0.337 1.00 0.00 C ATOM 0 H THR A 58 0.623 -3.672 1.265 1.00 0.00 H new ATOM 0 HA THR A 58 -1.102 -2.424 -0.797 1.00 0.00 H new ATOM 0 HB THR A 58 -2.962 -2.494 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.555 -2.578 2.698 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.454 -4.944 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.666 -4.555 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.724 -5.294 0.573 1.00 0.00 H new ATOM 841 N CYS A 59 -0.854 -0.236 0.423 1.00 0.00 N ATOM 842 CA CYS A 59 -0.446 1.070 0.911 1.00 0.00 C ATOM 843 C CYS A 59 -1.644 1.989 1.015 1.00 0.00 C ATOM 844 O CYS A 59 -2.719 1.632 0.534 1.00 0.00 O ATOM 845 CB CYS A 59 0.571 1.648 -0.065 1.00 0.00 C ATOM 846 SG CYS A 59 2.245 1.228 0.435 1.00 0.00 S ATOM 0 H CYS A 59 -1.542 -0.193 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.004 0.974 1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.379 1.264 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.462 2.731 -0.112 1.00 0.00 H new ATOM 851 N PRO A 60 -1.478 3.154 1.662 1.00 0.00 N ATOM 852 CA PRO A 60 -2.530 4.139 1.748 1.00 0.00 C ATOM 853 C PRO A 60 -3.032 4.511 0.362 1.00 0.00 C ATOM 854 O PRO A 60 -2.376 4.278 -0.654 1.00 0.00 O ATOM 855 CB PRO A 60 -1.936 5.352 2.459 1.00 0.00 C ATOM 856 CG PRO A 60 -0.877 4.699 3.333 1.00 0.00 C ATOM 857 CD PRO A 60 -0.325 3.595 2.430 1.00 0.00 C ATOM 0 HA PRO A 60 -3.387 3.750 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.506 6.069 1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.680 5.888 3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.102 5.407 3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.303 4.295 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.466 3.970 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.101 2.779 3.013 1.00 0.00 H new ATOM 865 N CYS A 61 -4.205 5.121 0.350 1.00 0.00 N ATOM 866 CA CYS A 61 -4.909 5.505 -0.854 1.00 0.00 C ATOM 867 C CYS A 61 -4.988 7.018 -0.885 1.00 0.00 C ATOM 868 O CYS A 61 -4.926 7.641 0.175 1.00 0.00 O ATOM 869 CB CYS A 61 -6.260 4.804 -0.859 1.00 0.00 C ATOM 870 SG CYS A 61 -6.092 3.010 -0.938 1.00 0.00 S ATOM 0 H CYS A 61 -4.705 5.368 1.204 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.398 5.198 -1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.813 5.077 0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.845 5.151 -1.711 1.00 0.00 H new ATOM 875 N ALA A 62 -5.063 7.596 -2.089 1.00 0.00 N ATOM 876 CA ALA A 62 -5.108 9.037 -2.300 1.00 0.00 C ATOM 877 C ALA A 62 -5.960 9.709 -1.215 1.00 0.00 C ATOM 878 O ALA A 62 -7.156 9.421 -1.160 1.00 0.00 O ATOM 879 CB ALA A 62 -5.668 9.357 -3.678 1.00 0.00 C ATOM 0 H ALA A 62 -5.094 7.061 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.091 9.425 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.694 10.438 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.034 8.907 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.678 8.956 -3.763 1.00 0.00 H new ATOM 885 N PRO A 63 -5.350 10.540 -0.349 1.00 0.00 N ATOM 886 CA PRO A 63 -5.958 11.214 0.796 1.00 0.00 C ATOM 887 C PRO A 63 -7.374 11.762 0.597 1.00 0.00 C ATOM 888 O PRO A 63 -7.578 12.959 0.415 1.00 0.00 O ATOM 889 CB PRO A 63 -4.945 12.276 1.215 1.00 0.00 C ATOM 890 CG PRO A 63 -3.643 11.517 0.980 1.00 0.00 C ATOM 891 CD PRO A 63 -3.913 10.772 -0.328 1.00 0.00 C ATOM 0 HA PRO A 63 -6.149 10.484 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.015 13.179 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.067 12.580 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.792 12.192 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.422 10.831 1.798 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.597 11.362 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.362 9.832 -0.366 1.00 0.00 H new ATOM 899 N ASN A 64 -8.332 10.842 0.692 1.00 0.00 N ATOM 900 CA ASN A 64 -9.783 10.988 0.573 1.00 0.00 C ATOM 901 C ASN A 64 -10.420 9.606 0.401 1.00 0.00 C ATOM 902 O ASN A 64 -11.450 9.315 1.001 1.00 0.00 O ATOM 903 CB ASN A 64 -10.202 11.883 -0.603 1.00 0.00 C ATOM 904 CG ASN A 64 -11.721 11.927 -0.730 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.419 12.224 0.234 1.00 0.00 O ATOM 906 ND2 ASN A 64 -12.235 11.627 -1.918 1.00 0.00 N ATOM 0 H ASN A 64 -8.084 9.870 0.874 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.131 11.469 1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.815 12.891 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.765 11.506 -1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.246 11.638 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.619 11.385 -2.694 1.00 0.00 H new ATOM 913 N LEU A 65 -9.819 8.752 -0.433 1.00 0.00 N ATOM 914 CA LEU A 65 -10.318 7.407 -0.685 1.00 0.00 C ATOM 915 C LEU A 65 -10.485 6.615 0.619 1.00 0.00 C ATOM 916 O LEU A 65 -9.639 6.696 1.508 1.00 0.00 O ATOM 917 CB LEU A 65 -9.352 6.670 -1.618 1.00 0.00 C ATOM 918 CG LEU A 65 -9.154 7.334 -2.989 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.141 6.548 -3.817 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.449 7.390 -3.787 1.00 0.00 C ATOM 0 H LEU A 65 -8.971 8.980 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.298 7.491 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.383 6.589 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.718 5.655 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.802 8.347 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.011 7.030 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.185 6.522 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.503 5.530 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.263 7.867 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.820 6.378 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.192 7.965 -3.235 1.00 0.00 H new ATOM 932 N ALA A 66 -11.566 5.835 0.718 1.00 0.00 N ATOM 933 CA ALA A 66 -11.911 5.016 1.871 1.00 0.00 C ATOM 934 C ALA A 66 -11.670 3.537 1.558 1.00 0.00 C ATOM 935 O ALA A 66 -12.087 3.051 0.507 1.00 0.00 O ATOM 936 CB ALA A 66 -13.383 5.247 2.224 1.00 0.00 C ATOM 0 H ALA A 66 -12.248 5.758 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.284 5.295 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.650 4.637 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.540 6.299 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.009 4.969 1.376 1.00 0.00 H new ATOM 942 N CYS A 67 -11.014 2.825 2.480 1.00 0.00 N ATOM 943 CA CYS A 67 -10.702 1.402 2.379 1.00 0.00 C ATOM 944 C CYS A 67 -11.953 0.595 2.751 1.00 0.00 C ATOM 945 O CYS A 67 -12.209 0.393 3.936 1.00 0.00 O ATOM 946 CB CYS A 67 -9.545 1.089 3.344 1.00 0.00 C ATOM 947 SG CYS A 67 -8.769 -0.530 3.177 1.00 0.00 S ATOM 0 H CYS A 67 -10.675 3.242 3.347 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.403 1.137 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.776 1.850 3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.917 1.185 4.364 1.00 0.00 H new ATOM 952 N VAL A 68 -12.754 0.158 1.772 1.00 0.00 N ATOM 953 CA VAL A 68 -13.984 -0.600 2.013 1.00 0.00 C ATOM 954 C VAL A 68 -13.711 -2.087 1.789 1.00 0.00 C ATOM 955 O VAL A 68 -12.895 -2.449 0.947 1.00 0.00 O ATOM 956 CB VAL A 68 -15.124 -0.116 1.099 1.00 0.00 C ATOM 957 CG1 VAL A 68 -16.483 -0.671 1.549 1.00 0.00 C ATOM 958 CG2 VAL A 68 -15.218 1.416 1.062 1.00 0.00 C ATOM 0 H VAL A 68 -12.564 0.323 0.783 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.300 -0.439 3.044 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.886 -0.488 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.264 -0.308 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.459 -1.760 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.693 -0.339 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -16.035 1.715 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.404 1.794 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.282 1.829 0.687 1.00 0.00 H new ATOM 968 N GLN A 69 -14.396 -2.956 2.530 1.00 0.00 N ATOM 969 CA GLN A 69 -14.213 -4.395 2.440 1.00 0.00 C ATOM 970 C GLN A 69 -14.952 -4.965 1.228 1.00 0.00 C ATOM 971 O GLN A 69 -16.069 -4.540 0.944 1.00 0.00 O ATOM 972 CB GLN A 69 -14.587 -5.018 3.792 1.00 0.00 C ATOM 973 CG GLN A 69 -16.078 -5.316 3.980 1.00 0.00 C ATOM 974 CD GLN A 69 -16.568 -6.563 3.241 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.680 -7.500 2.911 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.749 -6.679 2.939 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.098 -2.674 3.214 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.170 -4.654 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.029 -5.946 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.264 -4.345 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.282 -5.435 5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.654 -4.456 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.416 -5.952 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.066 -7.502 2.427 1.00 0.00 H new ATOM 985 N THR A 70 -14.327 -5.912 0.520 1.00 0.00 N ATOM 986 CA THR A 70 -14.952 -6.630 -0.590 1.00 0.00 C ATOM 987 C THR A 70 -15.046 -8.120 -0.243 1.00 0.00 C ATOM 988 O THR A 70 -16.001 -8.795 -0.622 1.00 0.00 O ATOM 989 CB THR A 70 -14.246 -6.328 -1.920 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.874 -6.659 -1.898 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.390 -4.841 -2.263 1.00 0.00 C ATOM 0 H THR A 70 -13.367 -6.202 0.704 1.00 0.00 H new ATOM 0 HA THR A 70 -15.973 -6.278 -0.738 1.00 0.00 H new ATOM 0 HB THR A 70 -14.727 -6.948 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.592 -6.825 -0.974 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.887 -4.635 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.447 -4.589 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.939 -4.240 -1.473 1.00 0.00 H new ATOM 999 N SER A 71 -14.076 -8.649 0.506 1.00 0.00 N ATOM 1000 CA SER A 71 -14.092 -9.995 1.066 1.00 0.00 C ATOM 1001 C SER A 71 -13.209 -9.939 2.322 1.00 0.00 C ATOM 1002 O SER A 71 -12.641 -8.879 2.596 1.00 0.00 O ATOM 1003 CB SER A 71 -13.638 -11.037 0.027 1.00 0.00 C ATOM 1004 OG SER A 71 -14.157 -10.753 -1.259 1.00 0.00 O ATOM 0 H SER A 71 -13.230 -8.131 0.745 1.00 0.00 H new ATOM 0 HA SER A 71 -15.096 -10.318 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.549 -11.058 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.963 -12.029 0.340 1.00 0.00 H new ATOM 0 HG SER A 71 -14.572 -11.560 -1.630 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.107 -11.009 3.128 1.00 0.00 N ATOM 1011 CA PRO A 72 -12.244 -11.014 4.300 1.00 0.00 C ATOM 1012 C PRO A 72 -10.814 -10.636 3.901 1.00 0.00 C ATOM 1013 O PRO A 72 -10.260 -11.251 2.991 1.00 0.00 O ATOM 1014 CB PRO A 72 -12.331 -12.435 4.866 1.00 0.00 C ATOM 1015 CG PRO A 72 -13.722 -12.890 4.424 1.00 0.00 C ATOM 1016 CD PRO A 72 -13.858 -12.249 3.042 1.00 0.00 C ATOM 0 HA PRO A 72 -12.550 -10.284 5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.548 -13.079 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.228 -12.445 5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.797 -13.976 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.498 -12.546 5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.458 -12.899 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.903 -12.061 2.795 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.238 -9.609 4.541 1.00 0.00 N ATOM 1025 CA LYS A 73 -8.904 -9.059 4.276 1.00 0.00 C ATOM 1026 C LYS A 73 -8.885 -8.242 2.976 1.00 0.00 C ATOM 1027 O LYS A 73 -8.355 -7.133 2.946 1.00 0.00 O ATOM 1028 CB LYS A 73 -7.809 -10.138 4.267 1.00 0.00 C ATOM 1029 CG LYS A 73 -7.856 -11.041 5.510 1.00 0.00 C ATOM 1030 CD LYS A 73 -6.830 -12.182 5.441 1.00 0.00 C ATOM 1031 CE LYS A 73 -6.981 -13.080 4.202 1.00 0.00 C ATOM 1032 NZ LYS A 73 -8.381 -13.476 3.959 1.00 0.00 N ATOM 0 H LYS A 73 -10.715 -9.115 5.295 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.676 -8.388 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.917 -10.752 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.832 -9.658 4.208 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.669 -10.440 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.857 -11.461 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.827 -11.756 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.923 -12.796 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.598 -12.554 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.371 -13.974 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.409 -14.234 3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.804 -13.818 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.919 -12.656 3.612 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.461 -8.792 1.905 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.562 -8.168 0.598 1.00 0.00 C ATOM 1048 C LYS A 74 -10.470 -6.935 0.661 1.00 0.00 C ATOM 1049 O LYS A 74 -11.697 -7.031 0.538 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.101 -9.204 -0.395 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.082 -8.720 -1.854 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.186 -9.404 -2.670 1.00 0.00 C ATOM 1053 CE LYS A 74 -11.003 -10.922 -2.773 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.208 -11.557 -3.334 1.00 0.00 N ATOM 0 H LYS A 74 -9.884 -9.720 1.933 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.580 -7.830 0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.509 -10.115 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.123 -9.463 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.218 -7.639 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.110 -8.932 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.152 -9.191 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.206 -8.977 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.142 -11.147 -3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.794 -11.336 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.056 -12.583 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.020 -11.373 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.400 -11.164 -4.278 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.870 -5.764 0.856 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.568 -4.492 0.818 1.00 0.00 C ATOM 1070 C PHE A 75 -10.133 -3.801 -0.476 1.00 0.00 C ATOM 1071 O PHE A 75 -9.162 -4.223 -1.104 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.221 -3.651 2.061 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.905 -3.999 3.379 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.005 -5.329 3.835 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.347 -2.958 4.218 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.486 -5.607 5.127 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.847 -3.234 5.501 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.900 -4.559 5.965 1.00 0.00 C ATOM 0 H PHE A 75 -8.872 -5.676 1.047 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.650 -4.624 0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.144 -3.716 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.448 -2.610 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.710 -6.141 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.301 -1.936 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.537 -6.628 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.191 -2.427 6.131 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.258 -4.771 6.962 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.852 -2.763 -0.899 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.500 -1.928 -2.036 1.00 0.00 C ATOM 1090 C LYS A 76 -10.783 -0.482 -1.644 1.00 0.00 C ATOM 1091 O LYS A 76 -11.584 -0.223 -0.744 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.247 -2.315 -3.320 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.981 -3.762 -3.766 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.855 -3.882 -5.289 1.00 0.00 C ATOM 1095 CE LYS A 76 -12.106 -3.410 -6.038 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.846 -3.338 -7.486 1.00 0.00 N ATOM 0 H LYS A 76 -11.719 -2.475 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.445 -2.069 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.317 -2.181 -3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.955 -1.636 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.065 -4.123 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.791 -4.403 -3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.998 -3.298 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.654 -4.921 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.932 -4.094 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.410 -2.431 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.709 -3.033 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.083 -2.655 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.561 -4.276 -7.835 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.110 0.460 -2.301 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.231 1.875 -1.994 1.00 0.00 C ATOM 1112 C CYS A 77 -11.243 2.547 -2.908 1.00 0.00 C ATOM 1113 O CYS A 77 -11.012 2.640 -4.110 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.859 2.534 -2.063 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.999 2.374 -0.490 1.00 0.00 S ATOM 0 H CYS A 77 -9.464 0.258 -3.064 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.608 1.993 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.268 2.074 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.968 3.588 -2.318 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.366 3.004 -2.348 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.429 3.670 -3.094 1.00 0.00 C ATOM 1122 C LEU A 78 -13.443 5.155 -2.744 1.00 0.00 C ATOM 1123 O LEU A 78 -12.988 5.558 -1.675 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.796 3.040 -2.788 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.047 1.627 -3.351 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.997 1.596 -4.883 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.114 0.554 -2.779 1.00 0.00 C ATOM 0 H LEU A 78 -12.562 2.919 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.235 3.549 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.919 3.002 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.571 3.703 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.057 1.381 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.180 0.580 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -15.761 2.261 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.015 1.925 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.354 -0.412 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.080 0.812 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.244 0.497 -1.698 1.00 0.00 H new ATOM 1139 N SER A 79 -13.964 5.968 -3.661 1.00 0.00 N ATOM 1140 CA SER A 79 -14.035 7.413 -3.515 1.00 0.00 C ATOM 1141 C SER A 79 -15.294 7.853 -2.771 1.00 0.00 C ATOM 1142 O SER A 79 -16.231 7.076 -2.594 1.00 0.00 O ATOM 1143 CB SER A 79 -13.991 8.057 -4.907 1.00 0.00 C ATOM 1144 OG SER A 79 -12.970 7.477 -5.704 1.00 0.00 O ATOM 0 H SER A 79 -14.355 5.631 -4.541 1.00 0.00 H new ATOM 0 HA SER A 79 -13.182 7.740 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.956 7.934 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.817 9.129 -4.810 1.00 0.00 H new ATOM 0 HG SER A 79 -13.054 7.797 -6.626 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.297 9.121 -2.367 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.380 9.851 -1.748 1.00 0.00 C ATOM 1152 C LYS A 80 -16.041 11.321 -2.007 1.00 0.00 C ATOM 1153 O LYS A 80 -14.873 11.550 -2.410 1.00 0.00 O ATOM 1154 CB LYS A 80 -16.513 9.529 -0.253 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.261 9.848 0.580 1.00 0.00 C ATOM 1156 CD LYS A 80 -15.632 9.812 2.070 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.463 10.224 2.971 1.00 0.00 C ATOM 1158 NZ LYS A 80 -13.404 9.203 2.999 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.934 12.171 -1.809 1.00 0.00 O ATOM 0 H LYS A 80 -14.468 9.705 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.352 9.581 -2.162 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.356 10.088 0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.749 8.471 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.474 9.124 0.370 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.870 10.830 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.477 10.477 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.957 8.806 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.048 11.168 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.828 10.396 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.783 9.370 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.834 8.259 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.846 9.257 2.123 1.00 0.00 H new