USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 61 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 TYR OH : rot -140:sc= -2.81! USER MOD Set 2.1: A 17 THR OG1 : rot -132:sc= 0.0318! USER MOD Set 2.2: A 20 SER OG : rot 62:sc= 1.37! USER MOD Single : A 12 CYS SG : rot 80:sc= -7.19! USER MOD Single : A 13 HIS :FLIP no HE2:sc= 0.406 F(o=-1.5,f=0.41) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.03) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 56:sc= 0.988 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -52:sc= 0.265 USER MOD Single : A 30 SER OG : rot -150:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.015) USER MOD Single : A 37 LYS NZ :NH3+ -150:sc= 0.871 (180deg=0.105) USER MOD Single : A 42 LYS NZ :NH3+ -119:sc= -1.18 (180deg=-3.45!) USER MOD Single : A 44 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.038) USER MOD Single : A 45 TYR OH : rot 30:sc= 0.0504 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= 0.224 K(o=0.22,f=-2.2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.3) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 86 LYS NZ :NH3+ -114:sc= 1.23 (180deg=-0.38) USER MOD Single : A 93 ASN : amide:sc=-0.00491 X(o=-0.0049,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.338 -15.602 -2.332 1.00 0.00 N ATOM 97 CA ILE A 10 -4.049 -14.955 -2.154 1.00 0.00 C ATOM 98 C ILE A 10 -4.205 -13.773 -1.195 1.00 0.00 C ATOM 99 O ILE A 10 -5.302 -13.504 -0.708 1.00 0.00 O ATOM 100 CB ILE A 10 -3.449 -14.573 -3.508 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.925 -14.708 -3.491 1.00 0.00 C ATOM 102 CG2 ILE A 10 -3.896 -13.172 -3.930 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.459 -15.781 -4.478 1.00 0.00 C ATOM 0 HA ILE A 10 -3.337 -15.644 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.825 -15.270 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.469 -13.751 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.590 -14.963 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.455 -12.925 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.983 -13.145 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.569 -12.446 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.372 -15.857 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.898 -16.741 -4.206 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.775 -15.510 -5.486 1.00 0.00 H new ATOM 115 N PHE A 11 -3.090 -13.099 -0.952 1.00 0.00 N ATOM 116 CA PHE A 11 -3.089 -11.952 -0.059 1.00 0.00 C ATOM 117 C PHE A 11 -2.297 -10.790 -0.661 1.00 0.00 C ATOM 118 O PHE A 11 -1.329 -11.005 -1.390 1.00 0.00 O ATOM 119 CB PHE A 11 -2.413 -12.396 1.239 1.00 0.00 C ATOM 120 CG PHE A 11 -3.389 -12.877 2.316 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.851 -14.155 2.292 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.793 -12.025 3.296 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.757 -14.601 3.291 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.698 -12.471 4.295 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.161 -13.750 4.271 1.00 0.00 C ATOM 0 H PHE A 11 -2.182 -13.325 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.110 -11.611 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.711 -13.199 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.830 -11.565 1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.529 -14.831 1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.426 -11.010 3.314 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.125 -15.616 3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.019 -11.795 5.074 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.850 -14.089 5.031 1.00 0.00 H new ATOM 135 N CYS A 12 -2.736 -9.584 -0.335 1.00 0.00 N ATOM 136 CA CYS A 12 -2.080 -8.387 -0.834 1.00 0.00 C ATOM 137 C CYS A 12 -1.438 -7.662 0.350 1.00 0.00 C ATOM 138 O CYS A 12 -2.135 -7.194 1.248 1.00 0.00 O ATOM 139 CB CYS A 12 -3.053 -7.485 -1.596 1.00 0.00 C ATOM 140 SG CYS A 12 -2.286 -5.850 -1.896 1.00 0.00 S ATOM 0 H CYS A 12 -3.539 -9.409 0.269 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.307 -8.665 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.324 -7.948 -2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.974 -7.365 -1.025 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.479 -5.929 -2.912 1.00 0.00 H new ATOM 146 N HIS A 13 -0.115 -7.592 0.313 1.00 0.00 N ATOM 147 CA HIS A 13 0.629 -6.932 1.372 1.00 0.00 C ATOM 148 C HIS A 13 0.818 -5.454 1.022 1.00 0.00 C ATOM 149 O HIS A 13 1.387 -5.126 -0.018 1.00 0.00 O ATOM 150 CB HIS A 13 1.953 -7.652 1.636 1.00 0.00 C ATOM 151 CG HIS A 13 1.793 -9.041 2.207 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.548 -9.456 3.483 1.00 0.00 N flip ATOM 153 CD2 HIS A 13 1.886 -10.185 1.434 1.00 0.00 C flip ATOM 154 CE1 HIS A 13 1.492 -10.782 3.489 1.00 0.00 C flip ATOM 155 NE2 HIS A 13 1.701 -11.236 2.220 1.00 0.00 N flip ATOM 0 H HIS A 13 0.460 -7.982 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 13 0.064 -6.980 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.512 -7.716 0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.549 -7.054 2.325 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.428 -8.850 4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.077 -10.216 0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.311 -11.400 4.356 1.00 0.00 H new ATOM 163 N VAL A 14 0.329 -4.602 1.911 1.00 0.00 N ATOM 164 CA VAL A 14 0.436 -3.167 1.709 1.00 0.00 C ATOM 165 C VAL A 14 1.226 -2.552 2.866 1.00 0.00 C ATOM 166 O VAL A 14 0.673 -2.302 3.937 1.00 0.00 O ATOM 167 CB VAL A 14 -0.957 -2.556 1.545 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.917 -1.039 1.743 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.556 -2.916 0.184 1.00 0.00 C ATOM 0 H VAL A 14 -0.142 -4.878 2.773 1.00 0.00 H new ATOM 0 HA VAL A 14 0.981 -2.950 0.790 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.601 -2.977 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.920 -0.630 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.552 -0.812 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.251 -0.593 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.546 -2.470 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.912 -2.536 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.637 -4.000 0.097 1.00 0.00 H new ATOM 179 N TYR A 15 2.506 -2.324 2.612 1.00 0.00 N ATOM 180 CA TYR A 15 3.377 -1.743 3.619 1.00 0.00 C ATOM 181 C TYR A 15 3.025 -0.275 3.867 1.00 0.00 C ATOM 182 O TYR A 15 3.204 0.567 2.989 1.00 0.00 O ATOM 183 CB TYR A 15 4.795 -1.826 3.049 1.00 0.00 C ATOM 184 CG TYR A 15 5.471 -3.182 3.258 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.724 -4.341 3.211 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.830 -3.246 3.495 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.361 -5.617 3.407 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.467 -4.522 3.692 1.00 0.00 C ATOM 189 CZ TYR A 15 6.701 -5.645 3.638 1.00 0.00 C ATOM 190 OH TYR A 15 7.302 -6.850 3.824 1.00 0.00 O ATOM 0 H TYR A 15 2.961 -2.531 1.723 1.00 0.00 H new ATOM 0 HA TYR A 15 3.276 -2.273 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.760 -1.610 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.407 -1.051 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.661 -4.291 3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.415 -2.339 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.788 -6.532 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.529 -4.586 3.878 1.00 0.00 H new ATOM 0 HH TYR A 15 8.261 -6.717 3.978 1.00 0.00 H new ATOM 200 N ILE A 16 2.530 -0.013 5.068 1.00 0.00 N ATOM 201 CA ILE A 16 2.151 1.339 5.443 1.00 0.00 C ATOM 202 C ILE A 16 3.413 2.177 5.655 1.00 0.00 C ATOM 203 O ILE A 16 3.624 3.173 4.965 1.00 0.00 O ATOM 204 CB ILE A 16 1.217 1.317 6.654 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.044 0.361 6.425 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.744 2.728 7.008 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.472 -0.202 7.751 1.00 0.00 C ATOM 0 H ILE A 16 2.383 -0.714 5.794 1.00 0.00 H new ATOM 0 HA ILE A 16 1.584 1.812 4.641 1.00 0.00 H new ATOM 0 HB ILE A 16 1.777 0.941 7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.761 0.885 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.358 -0.457 5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.081 2.683 7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.606 3.352 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.207 3.155 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.305 -0.878 7.560 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.329 -0.746 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.808 0.616 8.388 1.00 0.00 H new ATOM 219 N THR A 17 4.219 1.744 6.613 1.00 0.00 N ATOM 220 CA THR A 17 5.455 2.442 6.925 1.00 0.00 C ATOM 221 C THR A 17 6.660 1.644 6.423 1.00 0.00 C ATOM 222 O THR A 17 6.652 1.141 5.301 1.00 0.00 O ATOM 223 CB THR A 17 5.483 2.702 8.432 1.00 0.00 C ATOM 224 OG1 THR A 17 5.412 1.402 9.011 1.00 0.00 O ATOM 225 CG2 THR A 17 4.216 3.401 8.930 1.00 0.00 C ATOM 0 H THR A 17 4.040 0.918 7.184 1.00 0.00 H new ATOM 0 HA THR A 17 5.506 3.403 6.414 1.00 0.00 H new ATOM 0 HB THR A 17 6.354 3.310 8.678 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.736 1.396 9.720 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.288 3.562 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.108 4.362 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.348 2.778 8.713 1.00 0.00 H new ATOM 233 N GLU A 18 7.666 1.552 7.280 1.00 0.00 N ATOM 234 CA GLU A 18 8.876 0.823 6.938 1.00 0.00 C ATOM 235 C GLU A 18 8.817 -0.598 7.502 1.00 0.00 C ATOM 236 O GLU A 18 9.344 -1.532 6.899 1.00 0.00 O ATOM 237 CB GLU A 18 10.120 1.560 7.438 1.00 0.00 C ATOM 238 CG GLU A 18 11.369 1.101 6.684 1.00 0.00 C ATOM 239 CD GLU A 18 11.678 2.036 5.513 1.00 0.00 C ATOM 240 OE1 GLU A 18 10.818 2.119 4.610 1.00 0.00 O ATOM 241 OE2 GLU A 18 12.768 2.648 5.547 1.00 0.00 O ATOM 0 H GLU A 18 7.668 1.970 8.210 1.00 0.00 H new ATOM 0 HA GLU A 18 8.944 0.759 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.987 2.634 7.309 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.249 1.381 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.219 1.073 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.223 0.086 6.315 1.00 0.00 H new ATOM 248 N HIS A 19 8.171 -0.717 8.653 1.00 0.00 N ATOM 249 CA HIS A 19 8.037 -2.009 9.305 1.00 0.00 C ATOM 250 C HIS A 19 6.566 -2.266 9.637 1.00 0.00 C ATOM 251 O HIS A 19 6.252 -2.858 10.668 1.00 0.00 O ATOM 252 CB HIS A 19 8.945 -2.094 10.533 1.00 0.00 C ATOM 253 CG HIS A 19 10.334 -1.546 10.310 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.366 -2.308 9.789 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.850 -0.304 10.540 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.449 -1.549 9.715 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.128 -0.308 10.181 1.00 0.00 N ATOM 0 H HIS A 19 7.735 0.059 9.150 1.00 0.00 H new ATOM 0 HA HIS A 19 8.364 -2.798 8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.479 -1.550 11.355 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.022 -3.136 10.843 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.310 0.539 10.945 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.417 -1.859 9.350 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.765 0.486 10.243 1.00 0.00 H new ATOM 265 N SER A 20 5.702 -1.807 8.743 1.00 0.00 N ATOM 266 CA SER A 20 4.271 -1.979 8.927 1.00 0.00 C ATOM 267 C SER A 20 3.611 -2.340 7.595 1.00 0.00 C ATOM 268 O SER A 20 4.007 -1.836 6.545 1.00 0.00 O ATOM 269 CB SER A 20 3.634 -0.716 9.510 1.00 0.00 C ATOM 270 OG SER A 20 4.425 -0.152 10.553 1.00 0.00 O ATOM 0 H SER A 20 5.966 -1.316 7.889 1.00 0.00 H new ATOM 0 HA SER A 20 4.113 -2.792 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.499 0.021 8.718 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.643 -0.955 9.895 1.00 0.00 H new ATOM 0 HG SER A 20 5.298 0.113 10.195 1.00 0.00 H new ATOM 276 N TYR A 21 2.616 -3.211 7.681 1.00 0.00 N ATOM 277 CA TYR A 21 1.898 -3.645 6.495 1.00 0.00 C ATOM 278 C TYR A 21 0.524 -4.211 6.862 1.00 0.00 C ATOM 279 O TYR A 21 0.149 -4.229 8.034 1.00 0.00 O ATOM 280 CB TYR A 21 2.744 -4.757 5.873 1.00 0.00 C ATOM 281 CG TYR A 21 2.633 -6.102 6.594 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.285 -6.297 7.795 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.880 -7.120 6.045 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.180 -7.562 8.474 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.775 -8.385 6.724 1.00 0.00 C ATOM 286 CZ TYR A 21 2.430 -8.544 7.905 1.00 0.00 C ATOM 287 OH TYR A 21 2.331 -9.739 8.546 1.00 0.00 O ATOM 0 H TYR A 21 2.290 -3.628 8.553 1.00 0.00 H new ATOM 0 HA TYR A 21 1.741 -2.808 5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.445 -4.888 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.788 -4.445 5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.874 -5.500 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.369 -6.968 5.106 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.685 -7.728 9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.189 -9.190 6.305 1.00 0.00 H new ATOM 0 HH TYR A 21 1.763 -10.344 8.024 1.00 0.00 H new ATOM 297 N VAL A 22 -0.189 -4.659 5.839 1.00 0.00 N ATOM 298 CA VAL A 22 -1.512 -5.224 6.040 1.00 0.00 C ATOM 299 C VAL A 22 -1.711 -6.400 5.082 1.00 0.00 C ATOM 300 O VAL A 22 -1.275 -6.350 3.933 1.00 0.00 O ATOM 301 CB VAL A 22 -2.576 -4.136 5.878 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.918 -4.591 6.453 1.00 0.00 C ATOM 303 CG2 VAL A 22 -2.120 -2.824 6.522 1.00 0.00 C ATOM 0 H VAL A 22 0.125 -4.642 4.869 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.612 -5.610 7.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.713 -3.957 4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.656 -3.799 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.253 -5.487 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.803 -4.812 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.894 -2.067 6.393 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.942 -2.983 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.199 -2.486 6.047 1.00 0.00 H new ATOM 313 N SER A 23 -2.368 -7.432 5.591 1.00 0.00 N ATOM 314 CA SER A 23 -2.630 -8.619 4.795 1.00 0.00 C ATOM 315 C SER A 23 -4.069 -8.595 4.276 1.00 0.00 C ATOM 316 O SER A 23 -4.981 -9.078 4.944 1.00 0.00 O ATOM 317 CB SER A 23 -2.379 -9.892 5.606 1.00 0.00 C ATOM 318 OG SER A 23 -3.442 -10.163 6.515 1.00 0.00 O ATOM 0 H SER A 23 -2.727 -7.471 6.545 1.00 0.00 H new ATOM 0 HA SER A 23 -1.945 -8.620 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.258 -10.736 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.445 -9.791 6.159 1.00 0.00 H new ATOM 0 HG SER A 23 -4.288 -10.216 6.023 1.00 0.00 H new ATOM 324 N VAL A 24 -4.226 -8.028 3.089 1.00 0.00 N ATOM 325 CA VAL A 24 -5.539 -7.934 2.473 1.00 0.00 C ATOM 326 C VAL A 24 -5.779 -9.171 1.605 1.00 0.00 C ATOM 327 O VAL A 24 -4.993 -9.466 0.706 1.00 0.00 O ATOM 328 CB VAL A 24 -5.658 -6.624 1.692 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.006 -6.534 0.974 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.444 -5.418 2.609 1.00 0.00 C ATOM 0 H VAL A 24 -3.466 -7.629 2.537 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.318 -7.914 3.235 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.874 -6.613 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.065 -5.593 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.103 -7.366 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.812 -6.578 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.534 -4.499 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.195 -5.423 3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.450 -5.471 3.053 1.00 0.00 H new ATOM 340 N LYS A 25 -6.870 -9.861 1.904 1.00 0.00 N ATOM 341 CA LYS A 25 -7.224 -11.060 1.162 1.00 0.00 C ATOM 342 C LYS A 25 -8.056 -10.670 -0.061 1.00 0.00 C ATOM 343 O LYS A 25 -9.261 -10.446 0.050 1.00 0.00 O ATOM 344 CB LYS A 25 -7.913 -12.073 2.078 1.00 0.00 C ATOM 345 CG LYS A 25 -8.495 -13.235 1.271 1.00 0.00 C ATOM 346 CD LYS A 25 -9.191 -14.244 2.186 1.00 0.00 C ATOM 347 CE LYS A 25 -8.481 -15.599 2.150 1.00 0.00 C ATOM 348 NZ LYS A 25 -8.342 -16.148 3.517 1.00 0.00 N ATOM 0 H LYS A 25 -7.520 -9.613 2.650 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.328 -11.558 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.198 -12.454 2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.708 -11.580 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.205 -12.853 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.699 -13.731 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.205 -13.864 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.229 -14.365 1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.044 -16.295 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.497 -15.489 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.858 -17.068 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.786 -15.491 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.285 -16.272 3.939 1.00 0.00 H new ATOM 362 N ALA A 26 -7.381 -10.602 -1.199 1.00 0.00 N ATOM 363 CA ALA A 26 -8.044 -10.243 -2.441 1.00 0.00 C ATOM 364 C ALA A 26 -7.940 -11.410 -3.425 1.00 0.00 C ATOM 365 O ALA A 26 -7.364 -12.448 -3.104 1.00 0.00 O ATOM 366 CB ALA A 26 -7.428 -8.957 -2.996 1.00 0.00 C ATOM 0 H ALA A 26 -6.382 -10.789 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.103 -10.050 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.926 -8.688 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.553 -8.152 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.366 -9.114 -3.184 1.00 0.00 H new ATOM 372 N LYS A 27 -8.507 -11.201 -4.604 1.00 0.00 N ATOM 373 CA LYS A 27 -8.486 -12.223 -5.637 1.00 0.00 C ATOM 374 C LYS A 27 -7.084 -12.299 -6.244 1.00 0.00 C ATOM 375 O LYS A 27 -6.205 -11.516 -5.887 1.00 0.00 O ATOM 376 CB LYS A 27 -9.589 -11.967 -6.666 1.00 0.00 C ATOM 377 CG LYS A 27 -10.939 -11.751 -5.981 1.00 0.00 C ATOM 378 CD LYS A 27 -11.444 -13.047 -5.343 1.00 0.00 C ATOM 379 CE LYS A 27 -12.028 -12.784 -3.954 1.00 0.00 C ATOM 380 NZ LYS A 27 -11.424 -13.694 -2.956 1.00 0.00 N ATOM 0 H LYS A 27 -8.984 -10.339 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.702 -13.202 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.337 -11.092 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.656 -12.813 -7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.844 -10.979 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.667 -11.392 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.204 -13.498 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.625 -13.762 -5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.846 -11.748 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.109 -12.924 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.832 -13.502 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.619 -14.680 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.396 -13.541 -2.924 1.00 0.00 H new ATOM 394 N VAL A 28 -6.917 -13.250 -7.152 1.00 0.00 N ATOM 395 CA VAL A 28 -5.637 -13.438 -7.812 1.00 0.00 C ATOM 396 C VAL A 28 -5.493 -12.414 -8.939 1.00 0.00 C ATOM 397 O VAL A 28 -4.428 -12.295 -9.543 1.00 0.00 O ATOM 398 CB VAL A 28 -5.506 -14.883 -8.297 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.511 -15.180 -9.412 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.076 -15.181 -8.753 1.00 0.00 C ATOM 0 H VAL A 28 -7.648 -13.898 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.818 -13.268 -7.113 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.733 -15.540 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.397 -16.214 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.524 -15.027 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.329 -14.511 -10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.010 -16.215 -9.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.808 -14.512 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.389 -15.029 -7.920 1.00 0.00 H new ATOM 410 N SER A 29 -6.581 -11.700 -9.189 1.00 0.00 N ATOM 411 CA SER A 29 -6.589 -10.689 -10.233 1.00 0.00 C ATOM 412 C SER A 29 -7.361 -9.456 -9.761 1.00 0.00 C ATOM 413 O SER A 29 -7.982 -8.762 -10.565 1.00 0.00 O ATOM 414 CB SER A 29 -7.202 -11.236 -11.524 1.00 0.00 C ATOM 415 OG SER A 29 -6.955 -10.381 -12.636 1.00 0.00 O ATOM 0 H SER A 29 -7.463 -11.802 -8.687 1.00 0.00 H new ATOM 0 HA SER A 29 -5.558 -10.406 -10.443 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.792 -12.225 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.277 -11.357 -11.392 1.00 0.00 H new ATOM 0 HG SER A 29 -7.232 -9.468 -12.414 1.00 0.00 H new ATOM 421 N SER A 30 -7.297 -9.219 -8.459 1.00 0.00 N ATOM 422 CA SER A 30 -7.982 -8.081 -7.870 1.00 0.00 C ATOM 423 C SER A 30 -7.206 -6.795 -8.162 1.00 0.00 C ATOM 424 O SER A 30 -6.018 -6.840 -8.475 1.00 0.00 O ATOM 425 CB SER A 30 -8.157 -8.264 -6.361 1.00 0.00 C ATOM 426 OG SER A 30 -9.510 -8.080 -5.954 1.00 0.00 O ATOM 0 H SER A 30 -6.781 -9.796 -7.795 1.00 0.00 H new ATOM 0 HA SER A 30 -8.973 -8.009 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.825 -9.262 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.520 -7.554 -5.833 1.00 0.00 H new ATOM 0 HG SER A 30 -9.532 -7.734 -5.037 1.00 0.00 H new ATOM 432 N ILE A 31 -7.911 -5.679 -8.049 1.00 0.00 N ATOM 433 CA ILE A 31 -7.303 -4.382 -8.298 1.00 0.00 C ATOM 434 C ILE A 31 -6.778 -3.809 -6.980 1.00 0.00 C ATOM 435 O ILE A 31 -7.119 -4.301 -5.905 1.00 0.00 O ATOM 436 CB ILE A 31 -8.286 -3.460 -9.021 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.638 -3.430 -8.306 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.425 -3.853 -10.493 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.454 -2.206 -8.726 1.00 0.00 C ATOM 0 H ILE A 31 -8.897 -5.646 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.447 -4.484 -8.966 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.886 -2.447 -8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.195 -4.339 -8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.483 -3.415 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.130 -3.182 -10.984 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.454 -3.780 -10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.791 -4.877 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.410 -2.209 -8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.905 -1.299 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.629 -2.237 -9.801 1.00 0.00 H new ATOM 451 N ALA A 32 -5.957 -2.777 -7.106 1.00 0.00 N ATOM 452 CA ALA A 32 -5.382 -2.131 -5.938 1.00 0.00 C ATOM 453 C ALA A 32 -6.506 -1.571 -5.065 1.00 0.00 C ATOM 454 O ALA A 32 -6.475 -1.709 -3.843 1.00 0.00 O ATOM 455 CB ALA A 32 -4.397 -1.050 -6.386 1.00 0.00 C ATOM 0 H ALA A 32 -5.676 -2.372 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.825 -2.850 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.966 -0.565 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.602 -1.504 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.920 -0.309 -6.990 1.00 0.00 H new ATOM 461 N GLN A 33 -7.472 -0.949 -5.726 1.00 0.00 N ATOM 462 CA GLN A 33 -8.603 -0.367 -5.025 1.00 0.00 C ATOM 463 C GLN A 33 -9.189 -1.375 -4.034 1.00 0.00 C ATOM 464 O GLN A 33 -9.511 -1.020 -2.901 1.00 0.00 O ATOM 465 CB GLN A 33 -9.669 0.115 -6.011 1.00 0.00 C ATOM 466 CG GLN A 33 -11.002 0.360 -5.301 1.00 0.00 C ATOM 467 CD GLN A 33 -11.512 1.779 -5.565 1.00 0.00 C ATOM 468 OE1 GLN A 33 -12.477 1.996 -6.279 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.812 2.728 -4.951 1.00 0.00 N ATOM 0 H GLN A 33 -7.494 -0.836 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.252 0.501 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.335 1.034 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.803 -0.627 -6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.740 -0.365 -5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.880 0.207 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.014 2.476 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.073 3.708 -5.064 1.00 0.00 H new ATOM 478 N GLU A 34 -9.309 -2.610 -4.496 1.00 0.00 N ATOM 479 CA GLU A 34 -9.851 -3.671 -3.664 1.00 0.00 C ATOM 480 C GLU A 34 -9.018 -3.824 -2.390 1.00 0.00 C ATOM 481 O GLU A 34 -9.493 -4.371 -1.396 1.00 0.00 O ATOM 482 CB GLU A 34 -9.920 -4.991 -4.435 1.00 0.00 C ATOM 483 CG GLU A 34 -11.152 -5.033 -5.341 1.00 0.00 C ATOM 484 CD GLU A 34 -12.437 -5.124 -4.516 1.00 0.00 C ATOM 485 OE1 GLU A 34 -12.719 -6.239 -4.026 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.108 -4.076 -4.393 1.00 0.00 O ATOM 0 H GLU A 34 -9.040 -2.900 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.868 -3.400 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.018 -5.113 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.951 -5.825 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.179 -4.140 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.085 -5.889 -6.012 1.00 0.00 H new ATOM 493 N ILE A 35 -7.791 -3.330 -2.460 1.00 0.00 N ATOM 494 CA ILE A 35 -6.888 -3.405 -1.324 1.00 0.00 C ATOM 495 C ILE A 35 -6.855 -2.049 -0.615 1.00 0.00 C ATOM 496 O ILE A 35 -6.984 -1.981 0.607 1.00 0.00 O ATOM 497 CB ILE A 35 -5.510 -3.900 -1.767 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.634 -4.956 -2.867 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.700 -4.409 -0.573 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.572 -6.087 -2.438 1.00 0.00 C ATOM 0 H ILE A 35 -7.401 -2.876 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.246 -4.136 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.964 -3.057 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.010 -4.493 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.650 -5.363 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.725 -4.755 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.566 -3.601 0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.231 -5.234 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.643 -6.824 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.180 -6.563 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.562 -5.680 -2.231 1.00 0.00 H new ATOM 512 N LEU A 36 -6.683 -1.004 -1.411 1.00 0.00 N ATOM 513 CA LEU A 36 -6.632 0.345 -0.874 1.00 0.00 C ATOM 514 C LEU A 36 -7.910 0.622 -0.081 1.00 0.00 C ATOM 515 O LEU A 36 -7.867 1.256 0.972 1.00 0.00 O ATOM 516 CB LEU A 36 -6.369 1.356 -1.991 1.00 0.00 C ATOM 517 CG LEU A 36 -6.069 2.788 -1.543 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.610 2.931 -1.106 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.442 3.794 -2.634 1.00 0.00 C ATOM 0 H LEU A 36 -6.577 -1.064 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.798 0.448 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.529 0.999 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.239 1.377 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.689 3.011 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.423 3.958 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.412 2.256 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.954 2.681 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.219 4.804 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.867 3.583 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.506 3.713 -2.855 1.00 0.00 H new ATOM 531 N LYS A 37 -9.019 0.135 -0.618 1.00 0.00 N ATOM 532 CA LYS A 37 -10.308 0.322 0.026 1.00 0.00 C ATOM 533 C LYS A 37 -10.296 -0.367 1.392 1.00 0.00 C ATOM 534 O LYS A 37 -10.964 0.080 2.323 1.00 0.00 O ATOM 535 CB LYS A 37 -11.439 -0.149 -0.891 1.00 0.00 C ATOM 536 CG LYS A 37 -11.333 -1.650 -1.164 1.00 0.00 C ATOM 537 CD LYS A 37 -12.413 -2.424 -0.404 1.00 0.00 C ATOM 538 CE LYS A 37 -12.500 -3.870 -0.896 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.776 -4.099 -1.609 1.00 0.00 N ATOM 0 H LYS A 37 -9.051 -0.389 -1.492 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.494 1.381 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.402 0.074 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.401 0.399 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.432 -1.836 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.347 -2.008 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.191 -2.412 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.377 -1.933 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.662 -4.086 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.421 -4.553 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.065 -5.091 -1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.510 -3.476 -1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.651 -3.891 -2.620 1.00 0.00 H new ATOM 553 N VAL A 38 -9.529 -1.445 1.468 1.00 0.00 N ATOM 554 CA VAL A 38 -9.421 -2.201 2.704 1.00 0.00 C ATOM 555 C VAL A 38 -8.376 -1.545 3.609 1.00 0.00 C ATOM 556 O VAL A 38 -8.674 -1.179 4.745 1.00 0.00 O ATOM 557 CB VAL A 38 -9.109 -3.667 2.396 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.267 -4.535 3.646 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.986 -4.185 1.254 1.00 0.00 C ATOM 0 H VAL A 38 -8.976 -1.813 0.693 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.369 -2.190 3.241 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.069 -3.729 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.040 -5.572 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.582 -4.187 4.419 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.292 -4.465 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.745 -5.229 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.036 -4.103 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.803 -3.593 0.357 1.00 0.00 H new ATOM 569 N VAL A 39 -7.172 -1.415 3.070 1.00 0.00 N ATOM 570 CA VAL A 39 -6.081 -0.809 3.814 1.00 0.00 C ATOM 571 C VAL A 39 -6.560 0.505 4.434 1.00 0.00 C ATOM 572 O VAL A 39 -6.438 0.707 5.642 1.00 0.00 O ATOM 573 CB VAL A 39 -4.863 -0.632 2.906 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.734 0.097 3.637 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.383 -1.980 2.363 1.00 0.00 C ATOM 0 H VAL A 39 -6.929 -1.719 2.127 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.769 -1.459 4.631 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.165 -0.017 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.881 0.209 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.080 1.081 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.436 -0.480 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.516 -1.826 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.108 -2.630 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.183 -2.446 1.787 1.00 0.00 H new ATOM 585 N ALA A 40 -7.094 1.365 3.580 1.00 0.00 N ATOM 586 CA ALA A 40 -7.592 2.654 4.029 1.00 0.00 C ATOM 587 C ALA A 40 -8.318 2.479 5.364 1.00 0.00 C ATOM 588 O ALA A 40 -8.061 3.215 6.316 1.00 0.00 O ATOM 589 CB ALA A 40 -8.494 3.257 2.950 1.00 0.00 C ATOM 0 H ALA A 40 -7.193 1.195 2.579 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.767 3.348 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.868 4.224 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.923 3.389 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.334 2.588 2.763 1.00 0.00 H new ATOM 595 N GLU A 41 -9.210 1.500 5.393 1.00 0.00 N ATOM 596 CA GLU A 41 -9.974 1.219 6.596 1.00 0.00 C ATOM 597 C GLU A 41 -9.063 0.644 7.682 1.00 0.00 C ATOM 598 O GLU A 41 -9.142 1.046 8.842 1.00 0.00 O ATOM 599 CB GLU A 41 -11.137 0.270 6.298 1.00 0.00 C ATOM 600 CG GLU A 41 -11.845 0.662 4.999 1.00 0.00 C ATOM 601 CD GLU A 41 -13.287 1.095 5.270 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.469 1.920 6.191 1.00 0.00 O ATOM 603 OE2 GLU A 41 -14.176 0.591 4.550 1.00 0.00 O ATOM 0 H GLU A 41 -9.421 0.891 4.602 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.396 2.155 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.766 -0.752 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.848 0.289 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.302 1.474 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.838 -0.181 4.308 1.00 0.00 H new ATOM 610 N LYS A 42 -8.217 -0.289 7.268 1.00 0.00 N ATOM 611 CA LYS A 42 -7.292 -0.923 8.191 1.00 0.00 C ATOM 612 C LYS A 42 -6.518 0.156 8.952 1.00 0.00 C ATOM 613 O LYS A 42 -6.114 -0.056 10.095 1.00 0.00 O ATOM 614 CB LYS A 42 -6.394 -1.916 7.451 1.00 0.00 C ATOM 615 CG LYS A 42 -6.674 -3.351 7.902 1.00 0.00 C ATOM 616 CD LYS A 42 -8.055 -3.814 7.432 1.00 0.00 C ATOM 617 CE LYS A 42 -7.939 -4.731 6.213 1.00 0.00 C ATOM 618 NZ LYS A 42 -6.979 -5.826 6.477 1.00 0.00 N ATOM 0 H LYS A 42 -8.153 -0.621 6.305 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.835 -1.510 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.559 -1.830 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.348 -1.671 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.908 -4.017 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.616 -3.412 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.561 -4.341 8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.668 -2.948 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.916 -5.147 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.613 -4.155 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.193 -5.770 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.608 -5.737 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.460 -6.742 6.374 1.00 0.00 H new ATOM 632 N ILE A 43 -6.336 1.288 8.289 1.00 0.00 N ATOM 633 CA ILE A 43 -5.619 2.400 8.890 1.00 0.00 C ATOM 634 C ILE A 43 -6.620 3.473 9.322 1.00 0.00 C ATOM 635 O ILE A 43 -6.300 4.331 10.143 1.00 0.00 O ATOM 636 CB ILE A 43 -4.537 2.915 7.939 1.00 0.00 C ATOM 637 CG1 ILE A 43 -5.109 3.947 6.964 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.850 1.758 7.210 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.994 4.622 6.163 1.00 0.00 C ATOM 0 H ILE A 43 -6.672 1.459 7.341 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.094 2.075 9.788 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.774 3.420 8.532 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.808 3.461 6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.673 4.700 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.086 2.152 6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.386 1.093 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.588 1.203 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.428 5.350 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.311 5.128 6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.448 3.869 5.594 1.00 0.00 H new ATOM 651 N GLN A 44 -7.812 3.391 8.749 1.00 0.00 N ATOM 652 CA GLN A 44 -8.862 4.344 9.064 1.00 0.00 C ATOM 653 C GLN A 44 -8.628 5.658 8.317 1.00 0.00 C ATOM 654 O GLN A 44 -8.550 6.721 8.931 1.00 0.00 O ATOM 655 CB GLN A 44 -8.952 4.581 10.573 1.00 0.00 C ATOM 656 CG GLN A 44 -8.893 3.258 11.340 1.00 0.00 C ATOM 657 CD GLN A 44 -9.299 3.453 12.802 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.368 3.951 13.115 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.389 3.034 13.677 1.00 0.00 N ATOM 0 H GLN A 44 -8.074 2.678 8.068 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.814 3.927 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.135 5.228 10.893 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.881 5.101 10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.554 2.531 10.869 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.884 2.850 11.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.514 2.626 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.566 3.121 14.678 1.00 0.00 H new ATOM 668 N TYR A 45 -8.521 5.543 7.001 1.00 0.00 N ATOM 669 CA TYR A 45 -8.297 6.708 6.163 1.00 0.00 C ATOM 670 C TYR A 45 -9.253 6.716 4.969 1.00 0.00 C ATOM 671 O TYR A 45 -10.286 6.048 4.991 1.00 0.00 O ATOM 672 CB TYR A 45 -6.861 6.589 5.650 1.00 0.00 C ATOM 673 CG TYR A 45 -5.948 7.737 6.086 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.260 7.657 7.281 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.811 8.853 5.286 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.401 8.737 7.691 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.952 9.933 5.696 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.289 9.821 6.878 1.00 0.00 C ATOM 679 OH TYR A 45 -3.477 10.842 7.266 1.00 0.00 O ATOM 0 H TYR A 45 -8.585 4.660 6.495 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.464 7.625 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.437 5.648 6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.877 6.545 4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.366 6.784 7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.349 8.916 4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.858 8.687 8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.837 10.812 5.079 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.743 10.488 7.811 1.00 0.00 H new ATOM 689 N ALA A 46 -8.875 7.480 3.954 1.00 0.00 N ATOM 690 CA ALA A 46 -9.686 7.584 2.753 1.00 0.00 C ATOM 691 C ALA A 46 -8.921 6.982 1.573 1.00 0.00 C ATOM 692 O ALA A 46 -7.999 7.601 1.045 1.00 0.00 O ATOM 693 CB ALA A 46 -10.064 9.048 2.517 1.00 0.00 C ATOM 0 H ALA A 46 -8.018 8.033 3.939 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.613 7.022 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.672 9.126 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.631 9.420 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.159 9.643 2.396 1.00 0.00 H new ATOM 699 N GLU A 47 -9.333 5.781 1.193 1.00 0.00 N ATOM 700 CA GLU A 47 -8.698 5.088 0.085 1.00 0.00 C ATOM 701 C GLU A 47 -8.495 6.044 -1.093 1.00 0.00 C ATOM 702 O GLU A 47 -7.440 6.041 -1.725 1.00 0.00 O ATOM 703 CB GLU A 47 -9.514 3.865 -0.337 1.00 0.00 C ATOM 704 CG GLU A 47 -10.972 4.243 -0.602 1.00 0.00 C ATOM 705 CD GLU A 47 -11.767 3.038 -1.110 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.569 2.686 -2.293 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.555 2.497 -0.304 1.00 0.00 O ATOM 0 H GLU A 47 -10.099 5.270 1.633 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.721 4.736 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.080 3.426 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.468 3.106 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.425 4.622 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.015 5.048 -1.336 1.00 0.00 H new ATOM 714 N GLU A 48 -9.523 6.839 -1.352 1.00 0.00 N ATOM 715 CA GLU A 48 -9.471 7.798 -2.442 1.00 0.00 C ATOM 716 C GLU A 48 -8.323 8.787 -2.225 1.00 0.00 C ATOM 717 O GLU A 48 -7.735 9.281 -3.186 1.00 0.00 O ATOM 718 CB GLU A 48 -10.805 8.531 -2.592 1.00 0.00 C ATOM 719 CG GLU A 48 -11.257 9.126 -1.256 1.00 0.00 C ATOM 720 CD GLU A 48 -12.252 10.268 -1.473 1.00 0.00 C ATOM 721 OE1 GLU A 48 -12.041 11.028 -2.443 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.200 10.356 -0.664 1.00 0.00 O ATOM 0 H GLU A 48 -10.397 6.838 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.287 7.255 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.707 9.324 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.563 7.841 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.717 8.349 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.391 9.493 -0.706 1.00 0.00 H new ATOM 729 N ASP A 49 -8.040 9.046 -0.957 1.00 0.00 N ATOM 730 CA ASP A 49 -6.973 9.967 -0.602 1.00 0.00 C ATOM 731 C ASP A 49 -5.653 9.200 -0.511 1.00 0.00 C ATOM 732 O ASP A 49 -4.599 9.796 -0.292 1.00 0.00 O ATOM 733 CB ASP A 49 -7.237 10.617 0.758 1.00 0.00 C ATOM 734 CG ASP A 49 -8.381 11.633 0.778 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.274 12.623 0.023 1.00 0.00 O ATOM 736 OD2 ASP A 49 -9.337 11.396 1.547 1.00 0.00 O ATOM 0 H ASP A 49 -8.531 8.635 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.926 10.740 -1.369 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.455 9.832 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.325 11.113 1.090 1.00 0.00 H new ATOM 741 N LEU A 50 -5.753 7.890 -0.684 1.00 0.00 N ATOM 742 CA LEU A 50 -4.579 7.036 -0.624 1.00 0.00 C ATOM 743 C LEU A 50 -4.238 6.545 -2.032 1.00 0.00 C ATOM 744 O LEU A 50 -4.955 6.841 -2.987 1.00 0.00 O ATOM 745 CB LEU A 50 -4.789 5.907 0.387 1.00 0.00 C ATOM 746 CG LEU A 50 -4.881 6.329 1.855 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.102 5.117 2.762 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.651 7.139 2.271 1.00 0.00 C ATOM 0 H LEU A 50 -6.629 7.399 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.717 7.598 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.704 5.376 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.968 5.197 0.284 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.749 6.979 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.164 5.445 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.030 4.619 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.270 4.422 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.742 7.426 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.754 6.534 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.579 8.035 1.654 1.00 0.00 H new ATOM 760 N ALA A 51 -3.145 5.802 -2.117 1.00 0.00 N ATOM 761 CA ALA A 51 -2.700 5.267 -3.393 1.00 0.00 C ATOM 762 C ALA A 51 -1.601 4.231 -3.151 1.00 0.00 C ATOM 763 O ALA A 51 -0.793 4.379 -2.236 1.00 0.00 O ATOM 764 CB ALA A 51 -2.234 6.413 -4.293 1.00 0.00 C ATOM 0 H ALA A 51 -2.554 5.557 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.520 4.764 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.900 6.012 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.060 7.105 -4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.409 6.940 -3.813 1.00 0.00 H new ATOM 770 N LEU A 52 -1.605 3.204 -3.989 1.00 0.00 N ATOM 771 CA LEU A 52 -0.618 2.144 -3.878 1.00 0.00 C ATOM 772 C LEU A 52 0.667 2.573 -4.588 1.00 0.00 C ATOM 773 O LEU A 52 0.661 2.825 -5.792 1.00 0.00 O ATOM 774 CB LEU A 52 -1.192 0.821 -4.391 1.00 0.00 C ATOM 775 CG LEU A 52 -2.369 0.249 -3.599 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.227 0.555 -2.107 1.00 0.00 C ATOM 777 CD2 LEU A 52 -3.702 0.747 -4.162 1.00 0.00 C ATOM 0 H LEU A 52 -2.276 3.084 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.362 1.970 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.509 0.962 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.392 0.080 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.358 -0.836 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.077 0.137 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.305 0.112 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.198 1.634 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.522 0.326 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.738 1.835 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.797 0.436 -5.202 1.00 0.00 H new ATOM 789 N VAL A 53 1.739 2.643 -3.812 1.00 0.00 N ATOM 790 CA VAL A 53 3.029 3.038 -4.352 1.00 0.00 C ATOM 791 C VAL A 53 3.945 1.814 -4.420 1.00 0.00 C ATOM 792 O VAL A 53 4.384 1.305 -3.390 1.00 0.00 O ATOM 793 CB VAL A 53 3.618 4.179 -3.520 1.00 0.00 C ATOM 794 CG1 VAL A 53 5.049 4.496 -3.959 1.00 0.00 C ATOM 795 CG2 VAL A 53 2.733 5.425 -3.594 1.00 0.00 C ATOM 0 H VAL A 53 1.741 2.433 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 53 2.917 3.418 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 53 3.651 3.853 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.444 5.310 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.673 3.612 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.051 4.792 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.174 6.221 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.653 5.753 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.740 5.189 -3.210 1.00 0.00 H new ATOM 805 N ALA A 54 4.205 1.376 -5.643 1.00 0.00 N ATOM 806 CA ALA A 54 5.060 0.222 -5.859 1.00 0.00 C ATOM 807 C ALA A 54 6.515 0.683 -5.969 1.00 0.00 C ATOM 808 O ALA A 54 6.792 1.749 -6.516 1.00 0.00 O ATOM 809 CB ALA A 54 4.593 -0.535 -7.104 1.00 0.00 C ATOM 0 H ALA A 54 3.838 1.800 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 54 4.995 -0.466 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.235 -1.401 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.564 -0.867 -6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.646 0.123 -7.971 1.00 0.00 H new ATOM 815 N ILE A 55 7.406 -0.143 -5.440 1.00 0.00 N ATOM 816 CA ILE A 55 8.825 0.167 -5.472 1.00 0.00 C ATOM 817 C ILE A 55 9.551 -0.875 -6.324 1.00 0.00 C ATOM 818 O ILE A 55 9.168 -2.044 -6.343 1.00 0.00 O ATOM 819 CB ILE A 55 9.378 0.293 -4.051 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.336 0.899 -3.109 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.688 1.083 -4.040 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.048 2.356 -3.474 1.00 0.00 C ATOM 0 H ILE A 55 7.172 -1.026 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 55 8.993 1.136 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 55 9.603 -0.708 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.414 0.319 -3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.693 0.842 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.059 1.158 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.426 0.572 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.513 2.083 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.304 2.763 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.966 2.938 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.668 2.407 -4.494 1.00 0.00 H new ATOM 834 N THR A 56 10.587 -0.414 -7.010 1.00 0.00 N ATOM 835 CA THR A 56 11.371 -1.292 -7.862 1.00 0.00 C ATOM 836 C THR A 56 12.832 -1.312 -7.408 1.00 0.00 C ATOM 837 O THR A 56 13.190 -0.661 -6.428 1.00 0.00 O ATOM 838 CB THR A 56 11.190 -0.831 -9.310 1.00 0.00 C ATOM 839 OG1 THR A 56 11.965 -1.755 -10.068 1.00 0.00 O ATOM 840 CG2 THR A 56 11.853 0.522 -9.580 1.00 0.00 C ATOM 0 H THR A 56 10.901 0.556 -6.993 1.00 0.00 H new ATOM 0 HA THR A 56 11.028 -2.324 -7.789 1.00 0.00 H new ATOM 0 HB THR A 56 10.127 -0.767 -9.541 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.903 -1.531 -11.020 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.695 0.803 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.414 1.278 -8.929 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.922 0.449 -9.382 1.00 0.00 H new ATOM 848 N PHE A 57 13.636 -2.065 -8.144 1.00 0.00 N ATOM 849 CA PHE A 57 15.050 -2.178 -7.829 1.00 0.00 C ATOM 850 C PHE A 57 15.654 -0.807 -7.518 1.00 0.00 C ATOM 851 O PHE A 57 15.040 0.222 -7.794 1.00 0.00 O ATOM 852 CB PHE A 57 15.739 -2.757 -9.067 1.00 0.00 C ATOM 853 CG PHE A 57 16.995 -3.574 -8.755 1.00 0.00 C ATOM 854 CD1 PHE A 57 16.998 -4.444 -7.710 1.00 0.00 C ATOM 855 CD2 PHE A 57 18.107 -3.431 -9.524 1.00 0.00 C ATOM 856 CE1 PHE A 57 18.163 -5.203 -7.421 1.00 0.00 C ATOM 857 CE2 PHE A 57 19.272 -4.189 -9.235 1.00 0.00 C ATOM 858 CZ PHE A 57 19.276 -5.059 -8.190 1.00 0.00 C ATOM 0 H PHE A 57 13.335 -2.603 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 57 15.187 -2.812 -6.953 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.030 -3.389 -9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.007 -1.940 -9.737 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.114 -4.558 -7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.104 -2.741 -10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.165 -5.894 -6.591 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.156 -4.075 -9.845 1.00 0.00 H new ATOM 0 HZ PHE A 57 20.162 -5.636 -7.971 1.00 0.00 H new ATOM 868 N SER A 58 16.850 -0.838 -6.948 1.00 0.00 N ATOM 869 CA SER A 58 17.543 0.389 -6.597 1.00 0.00 C ATOM 870 C SER A 58 16.824 1.084 -5.439 1.00 0.00 C ATOM 871 O SER A 58 17.317 1.092 -4.312 1.00 0.00 O ATOM 872 CB SER A 58 17.644 1.329 -7.800 1.00 0.00 C ATOM 873 OG SER A 58 18.983 1.453 -8.271 1.00 0.00 O ATOM 0 H SER A 58 17.356 -1.694 -6.721 1.00 0.00 H new ATOM 0 HA SER A 58 18.555 0.132 -6.286 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.010 0.957 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.264 2.313 -7.524 1.00 0.00 H new ATOM 0 HG SER A 58 19.004 2.060 -9.040 1.00 0.00 H new ATOM 879 N GLY A 59 15.669 1.651 -5.757 1.00 0.00 N ATOM 880 CA GLY A 59 14.876 2.346 -4.757 1.00 0.00 C ATOM 881 C GLY A 59 14.062 3.476 -5.392 1.00 0.00 C ATOM 882 O GLY A 59 14.333 4.651 -5.152 1.00 0.00 O ATOM 0 H GLY A 59 15.264 1.643 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.205 1.641 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.531 2.753 -3.987 1.00 0.00 H new ATOM 886 N GLU A 60 13.081 3.079 -6.189 1.00 0.00 N ATOM 887 CA GLU A 60 12.226 4.043 -6.860 1.00 0.00 C ATOM 888 C GLU A 60 10.754 3.736 -6.575 1.00 0.00 C ATOM 889 O GLU A 60 10.287 2.628 -6.833 1.00 0.00 O ATOM 890 CB GLU A 60 12.500 4.066 -8.365 1.00 0.00 C ATOM 891 CG GLU A 60 13.657 5.010 -8.697 1.00 0.00 C ATOM 892 CD GLU A 60 13.851 5.129 -10.210 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.570 4.124 -10.899 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.276 6.221 -10.644 1.00 0.00 O ATOM 0 H GLU A 60 12.859 2.103 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 60 12.453 5.035 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.736 3.060 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.603 4.383 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.460 5.995 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.574 4.643 -8.237 1.00 0.00 H new ATOM 901 N LYS A 61 10.065 4.737 -6.047 1.00 0.00 N ATOM 902 CA LYS A 61 8.656 4.587 -5.725 1.00 0.00 C ATOM 903 C LYS A 61 7.814 4.999 -6.934 1.00 0.00 C ATOM 904 O LYS A 61 8.213 5.870 -7.705 1.00 0.00 O ATOM 905 CB LYS A 61 8.314 5.356 -4.447 1.00 0.00 C ATOM 906 CG LYS A 61 9.481 5.322 -3.458 1.00 0.00 C ATOM 907 CD LYS A 61 8.976 5.277 -2.015 1.00 0.00 C ATOM 908 CE LYS A 61 10.051 4.729 -1.074 1.00 0.00 C ATOM 909 NZ LYS A 61 9.499 3.643 -0.234 1.00 0.00 N ATOM 0 H LYS A 61 10.456 5.655 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 61 8.423 3.543 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.072 6.390 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.427 4.923 -3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.105 4.450 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.108 6.202 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.685 6.278 -1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.085 4.652 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.894 4.355 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.431 5.530 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.109 3.502 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.541 3.900 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.458 2.763 -0.787 1.00 0.00 H new ATOM 923 N HIS A 62 6.664 4.353 -7.062 1.00 0.00 N ATOM 924 CA HIS A 62 5.763 4.641 -8.165 1.00 0.00 C ATOM 925 C HIS A 62 4.319 4.388 -7.726 1.00 0.00 C ATOM 926 O HIS A 62 3.994 3.305 -7.242 1.00 0.00 O ATOM 927 CB HIS A 62 6.153 3.842 -9.409 1.00 0.00 C ATOM 928 CG HIS A 62 6.809 4.669 -10.490 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.059 5.243 -10.340 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.375 5.011 -11.737 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.354 5.900 -11.452 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.309 5.755 -12.316 1.00 0.00 N ATOM 0 H HIS A 62 6.336 3.631 -6.420 1.00 0.00 H new ATOM 0 HA HIS A 62 5.844 5.692 -8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.832 3.041 -9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.261 3.369 -9.819 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.653 5.172 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.432 4.725 -12.178 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.262 6.453 -11.641 1.00 0.00 H new ATOM 940 N GLU A 63 3.491 5.405 -7.912 1.00 0.00 N ATOM 941 CA GLU A 63 2.089 5.306 -7.542 1.00 0.00 C ATOM 942 C GLU A 63 1.269 4.755 -8.711 1.00 0.00 C ATOM 943 O GLU A 63 1.167 5.393 -9.758 1.00 0.00 O ATOM 944 CB GLU A 63 1.546 6.661 -7.083 1.00 0.00 C ATOM 945 CG GLU A 63 0.227 6.495 -6.326 1.00 0.00 C ATOM 946 CD GLU A 63 -0.856 7.407 -6.905 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.606 8.631 -6.943 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.909 6.860 -7.298 1.00 0.00 O ATOM 0 H GLU A 63 3.764 6.302 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 63 2.003 4.614 -6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.278 7.152 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.395 7.308 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.100 5.457 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.377 6.727 -5.272 1.00 0.00 H new ATOM 955 N LEU A 64 0.706 3.576 -8.492 1.00 0.00 N ATOM 956 CA LEU A 64 -0.102 2.932 -9.514 1.00 0.00 C ATOM 957 C LEU A 64 -1.463 3.626 -9.595 1.00 0.00 C ATOM 958 O LEU A 64 -1.535 4.836 -9.801 1.00 0.00 O ATOM 959 CB LEU A 64 -0.194 1.427 -9.254 1.00 0.00 C ATOM 960 CG LEU A 64 1.124 0.652 -9.325 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.956 1.095 -10.530 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.903 0.776 -8.014 1.00 0.00 C ATOM 0 H LEU A 64 0.793 3.050 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 64 0.368 3.036 -10.492 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.629 1.275 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.886 0.995 -9.977 1.00 0.00 H new ATOM 0 HG LEU A 64 0.893 -0.404 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.887 0.529 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.394 0.914 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.180 2.158 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.835 0.216 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.124 1.826 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.305 0.374 -7.196 1.00 0.00 H new ATOM 974 N GLN A 65 -2.509 2.829 -9.428 1.00 0.00 N ATOM 975 CA GLN A 65 -3.863 3.352 -9.480 1.00 0.00 C ATOM 976 C GLN A 65 -4.822 2.415 -8.742 1.00 0.00 C ATOM 977 O GLN A 65 -4.444 1.309 -8.360 1.00 0.00 O ATOM 978 CB GLN A 65 -4.313 3.568 -10.926 1.00 0.00 C ATOM 979 CG GLN A 65 -3.645 4.806 -11.528 1.00 0.00 C ATOM 980 CD GLN A 65 -4.585 5.514 -12.507 1.00 0.00 C ATOM 981 OE1 GLN A 65 -4.592 5.255 -13.699 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.375 6.420 -11.938 1.00 0.00 N ATOM 0 H GLN A 65 -2.445 1.825 -9.257 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.876 4.321 -8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.065 2.690 -11.523 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.396 3.682 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.359 5.493 -10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.729 4.516 -12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.318 6.588 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.038 6.947 -12.506 1.00 0.00 H new ATOM 991 N PRO A 66 -6.077 2.906 -8.558 1.00 0.00 N ATOM 992 CA PRO A 66 -7.093 2.125 -7.872 1.00 0.00 C ATOM 993 C PRO A 66 -7.624 1.007 -8.771 1.00 0.00 C ATOM 994 O PRO A 66 -8.596 0.336 -8.425 1.00 0.00 O ATOM 995 CB PRO A 66 -8.163 3.130 -7.479 1.00 0.00 C ATOM 996 CG PRO A 66 -7.934 4.349 -8.359 1.00 0.00 C ATOM 997 CD PRO A 66 -6.561 4.212 -8.996 1.00 0.00 C ATOM 0 HA PRO A 66 -6.706 1.611 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.161 2.719 -7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.085 3.390 -6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.706 4.417 -9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.991 5.263 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.622 4.268 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.893 5.010 -8.673 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.964 0.840 -9.908 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.358 -0.185 -10.859 1.00 0.00 C ATOM 1007 C ASN A 67 -6.166 -1.103 -11.135 1.00 0.00 C ATOM 1008 O ASN A 67 -6.338 -2.303 -11.348 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.795 0.435 -12.188 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.150 1.807 -12.391 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -7.526 2.795 -11.781 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.160 1.814 -13.279 1.00 0.00 N ATOM 0 H ASN A 67 -6.159 1.398 -10.192 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.191 -0.741 -10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.519 -0.226 -13.010 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.880 0.533 -12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.665 2.682 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.895 0.951 -13.754 1.00 0.00 H new ATOM 1019 N ASP A 68 -4.983 -0.505 -11.122 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.763 -1.255 -11.369 1.00 0.00 C ATOM 1021 C ASP A 68 -3.739 -2.492 -10.469 1.00 0.00 C ATOM 1022 O ASP A 68 -3.867 -2.381 -9.251 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.526 -0.413 -11.049 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.829 0.201 -12.264 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.249 1.311 -12.658 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.893 -0.453 -12.772 1.00 0.00 O ATOM 0 H ASP A 68 -4.844 0.490 -10.944 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.746 -1.536 -12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.817 0.390 -10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.809 -1.036 -10.515 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.574 -3.643 -11.104 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.531 -4.900 -10.377 1.00 0.00 C ATOM 1033 C LEU A 69 -2.533 -4.783 -9.223 1.00 0.00 C ATOM 1034 O LEU A 69 -1.579 -4.010 -9.299 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.237 -6.061 -11.329 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.437 -6.617 -12.099 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -4.000 -7.701 -13.086 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -5.519 -7.118 -11.140 1.00 0.00 C ATOM 0 H LEU A 69 -3.468 -3.731 -12.115 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.504 -5.118 -9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.488 -5.733 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.792 -6.873 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.874 -5.807 -12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.872 -8.079 -13.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.292 -7.279 -13.799 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.525 -8.518 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.361 -7.508 -11.713 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.110 -7.909 -10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.858 -6.294 -10.512 1.00 0.00 H new ATOM 1050 N VAL A 70 -2.787 -5.562 -8.182 1.00 0.00 N ATOM 1051 CA VAL A 70 -1.923 -5.555 -7.014 1.00 0.00 C ATOM 1052 C VAL A 70 -1.153 -6.876 -6.947 1.00 0.00 C ATOM 1053 O VAL A 70 -0.177 -6.993 -6.207 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.746 -5.278 -5.755 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.518 -3.851 -5.253 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.233 -5.541 -6.003 1.00 0.00 C ATOM 0 H VAL A 70 -3.579 -6.202 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.188 -4.753 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.409 -5.964 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.115 -3.681 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.463 -3.712 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.814 -3.142 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.796 -5.336 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.589 -4.892 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.375 -6.583 -6.291 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.622 -7.837 -7.729 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.990 -9.145 -7.767 1.00 0.00 C ATOM 1068 C ILE A 71 -1.193 -9.764 -9.152 1.00 0.00 C ATOM 1069 O ILE A 71 -2.293 -10.201 -9.486 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.502 -10.021 -6.622 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.281 -11.505 -6.925 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.966 -9.712 -6.307 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.126 -12.311 -5.635 1.00 0.00 C ATOM 0 H ILE A 71 -2.432 -7.736 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 71 0.085 -9.053 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.924 -9.786 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.122 -11.891 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.391 -11.625 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.305 -10.349 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.063 -8.666 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.576 -9.901 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.970 -13.362 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.269 -11.938 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.028 -12.209 -5.031 1.00 0.00 H new ATOM 1191 N ARG A 80 7.781 -4.860 -3.380 1.00 0.00 N ATOM 1192 CA ARG A 80 6.932 -4.462 -2.269 1.00 0.00 C ATOM 1193 C ARG A 80 6.154 -3.194 -2.624 1.00 0.00 C ATOM 1194 O ARG A 80 6.688 -2.294 -3.271 1.00 0.00 O ATOM 1195 CB ARG A 80 7.759 -4.209 -1.007 1.00 0.00 C ATOM 1196 CG ARG A 80 8.830 -3.145 -1.258 1.00 0.00 C ATOM 1197 CD ARG A 80 10.150 -3.786 -1.690 1.00 0.00 C ATOM 1198 NE ARG A 80 10.549 -4.828 -0.717 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.600 -5.642 -0.878 1.00 0.00 C ATOM 1200 NH1 ARG A 80 12.365 -5.541 -1.974 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.888 -6.558 0.057 1.00 0.00 N ATOM 0 HA ARG A 80 6.235 -5.277 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.104 -3.887 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.232 -5.137 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.488 -2.454 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.985 -2.560 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.043 -4.225 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.927 -3.025 -1.760 1.00 0.00 H new ATOM 0 HE ARG A 80 9.988 -4.932 0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.147 -4.844 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.165 -6.161 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.307 -6.635 0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.689 -7.178 -0.066 1.00 0.00 H new ATOM 1215 N ILE A 81 4.904 -3.163 -2.184 1.00 0.00 N ATOM 1216 CA ILE A 81 4.047 -2.019 -2.447 1.00 0.00 C ATOM 1217 C ILE A 81 3.794 -1.266 -1.140 1.00 0.00 C ATOM 1218 O ILE A 81 3.939 -1.829 -0.057 1.00 0.00 O ATOM 1219 CB ILE A 81 2.767 -2.462 -3.160 1.00 0.00 C ATOM 1220 CG1 ILE A 81 3.079 -3.021 -4.549 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.749 -1.322 -3.216 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.503 -4.489 -4.467 1.00 0.00 C ATOM 0 H ILE A 81 4.465 -3.911 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 81 4.538 -1.322 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 81 2.315 -3.269 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.201 -2.928 -5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.873 -2.435 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.849 -1.663 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.495 -1.011 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.177 -0.478 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.719 -4.862 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.395 -4.576 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.697 -5.076 -4.027 1.00 0.00 H new ATOM 1234 N TYR A 82 3.420 -0.003 -1.285 1.00 0.00 N ATOM 1235 CA TYR A 82 3.146 0.834 -0.130 1.00 0.00 C ATOM 1236 C TYR A 82 1.935 1.735 -0.380 1.00 0.00 C ATOM 1237 O TYR A 82 1.368 1.729 -1.472 1.00 0.00 O ATOM 1238 CB TYR A 82 4.386 1.709 0.062 1.00 0.00 C ATOM 1239 CG TYR A 82 5.645 0.928 0.448 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.469 0.419 -0.535 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.955 0.734 1.778 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.653 -0.316 -0.173 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.140 -0.001 2.141 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.930 -0.490 1.147 1.00 0.00 C ATOM 1245 OH TYR A 82 9.049 -1.183 1.490 1.00 0.00 O ATOM 0 H TYR A 82 3.300 0.461 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 82 2.928 0.221 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.579 2.256 -0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.179 2.450 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.226 0.572 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.310 1.133 2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.306 -0.720 -0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.395 -0.160 3.178 1.00 0.00 H new ATOM 0 HH TYR A 82 9.120 -1.228 2.466 1.00 0.00 H new ATOM 1255 N VAL A 83 1.575 2.488 0.649 1.00 0.00 N ATOM 1256 CA VAL A 83 0.441 3.392 0.554 1.00 0.00 C ATOM 1257 C VAL A 83 0.829 4.752 1.139 1.00 0.00 C ATOM 1258 O VAL A 83 1.325 4.830 2.262 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.780 2.774 1.237 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.422 2.247 2.628 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -1.933 3.777 1.311 1.00 0.00 C ATOM 0 H VAL A 83 2.048 2.491 1.553 1.00 0.00 H new ATOM 0 HA VAL A 83 0.166 3.552 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.109 1.929 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.308 1.813 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.352 1.485 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.055 3.067 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.789 3.312 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.619 4.651 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.214 4.083 0.303 1.00 0.00 H new ATOM 1271 N TYR A 84 0.590 5.789 0.350 1.00 0.00 N ATOM 1272 CA TYR A 84 0.908 7.142 0.776 1.00 0.00 C ATOM 1273 C TYR A 84 -0.358 7.994 0.886 1.00 0.00 C ATOM 1274 O TYR A 84 -1.432 7.575 0.456 1.00 0.00 O ATOM 1275 CB TYR A 84 1.808 7.726 -0.314 1.00 0.00 C ATOM 1276 CG TYR A 84 3.248 7.210 -0.275 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.495 5.852 -0.289 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.300 8.102 -0.225 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.850 5.366 -0.252 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.655 7.616 -0.188 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.863 6.272 -0.203 1.00 0.00 C ATOM 1282 OH TYR A 84 7.143 5.813 -0.168 1.00 0.00 O ATOM 0 H TYR A 84 0.180 5.720 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 84 1.388 7.134 1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.377 7.496 -1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.819 8.812 -0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.672 5.154 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.107 9.165 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.057 4.306 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.487 8.303 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 84 7.670 6.359 0.452 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.190 9.175 1.463 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.306 10.089 1.635 1.00 0.00 C ATOM 1294 C ARG A 85 -1.324 11.122 0.506 1.00 0.00 C ATOM 1295 O ARG A 85 -0.362 11.867 0.326 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.221 10.815 2.979 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.611 10.999 3.592 1.00 0.00 C ATOM 1298 CD ARG A 85 -2.714 12.336 4.328 1.00 0.00 C ATOM 1299 NE ARG A 85 -1.641 12.439 5.343 1.00 0.00 N ATOM 1300 CZ ARG A 85 -0.486 13.090 5.151 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.246 13.700 3.982 1.00 0.00 N ATOM 1302 NH2 ARG A 85 0.430 13.131 6.128 1.00 0.00 N ATOM 0 H ARG A 85 0.702 9.520 1.817 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.223 9.501 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.590 10.248 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.749 11.788 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.367 10.952 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.818 10.182 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.634 13.159 3.618 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.689 12.422 4.807 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.791 11.986 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.943 13.669 3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.634 14.196 3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.248 12.667 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.309 13.627 5.982 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.429 11.133 -0.225 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.585 12.062 -1.331 1.00 0.00 C ATOM 1318 C LYS A 86 -2.491 13.496 -0.805 1.00 0.00 C ATOM 1319 O LYS A 86 -2.612 13.729 0.396 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.878 11.771 -2.096 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.760 10.475 -2.900 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.850 10.752 -4.403 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.467 11.031 -4.993 1.00 0.00 C ATOM 1324 NZ LYS A 86 -2.419 10.629 -6.416 1.00 0.00 N ATOM 0 H LYS A 86 -3.225 10.513 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.778 11.934 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.710 11.694 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.102 12.600 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.812 9.987 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.552 9.787 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.299 9.896 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.504 11.606 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.233 12.092 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.709 10.487 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.759 9.833 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.368 10.339 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.096 11.432 -6.993 1.00 0.00 H new ATOM 1424 N ASN A 93 4.703 11.527 -0.437 1.00 0.00 N ATOM 1425 CA ASN A 93 5.396 11.564 0.840 1.00 0.00 C ATOM 1426 C ASN A 93 4.975 10.355 1.678 1.00 0.00 C ATOM 1427 O ASN A 93 3.788 10.047 1.777 1.00 0.00 O ATOM 1428 CB ASN A 93 5.040 12.829 1.623 1.00 0.00 C ATOM 1429 CG ASN A 93 4.887 14.029 0.686 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.787 14.391 -0.054 1.00 0.00 O ATOM 1431 ND2 ASN A 93 3.699 14.624 0.758 1.00 0.00 N ATOM 0 HA ASN A 93 6.468 11.552 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.112 12.672 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.816 13.035 2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.498 15.434 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.989 14.270 1.399 1.00 0.00 H new ATOM 1438 N PRO A 94 5.997 9.687 2.276 1.00 0.00 N ATOM 1439 CA PRO A 94 5.745 8.519 3.103 1.00 0.00 C ATOM 1440 C PRO A 94 5.168 8.923 4.461 1.00 0.00 C ATOM 1441 O PRO A 94 4.951 10.105 4.721 1.00 0.00 O ATOM 1442 CB PRO A 94 7.089 7.818 3.213 1.00 0.00 C ATOM 1443 CG PRO A 94 8.133 8.856 2.838 1.00 0.00 C ATOM 1444 CD PRO A 94 7.414 10.024 2.182 1.00 0.00 C ATOM 0 HA PRO A 94 4.997 7.852 2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.254 7.446 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.136 6.958 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.675 9.190 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.868 8.429 2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.633 10.961 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.724 10.147 1.144 1.00 0.00 H new ATOM 1452 N PHE A 95 4.937 7.917 5.293 1.00 0.00 N ATOM 1453 CA PHE A 95 4.389 8.153 6.618 1.00 0.00 C ATOM 1454 C PHE A 95 5.480 8.058 7.686 1.00 0.00 C ATOM 1455 O PHE A 95 6.637 7.778 7.375 1.00 0.00 O ATOM 1456 CB PHE A 95 3.347 7.062 6.872 1.00 0.00 C ATOM 1457 CG PHE A 95 1.914 7.479 6.534 1.00 0.00 C ATOM 1458 CD1 PHE A 95 1.309 8.468 7.245 1.00 0.00 C ATOM 1459 CD2 PHE A 95 1.247 6.862 5.523 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.021 8.856 6.931 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.083 7.249 5.209 1.00 0.00 C ATOM 1462 CZ PHE A 95 -0.689 8.238 5.920 1.00 0.00 C ATOM 0 H PHE A 95 5.119 6.937 5.075 1.00 0.00 H new ATOM 0 HA PHE A 95 3.953 9.151 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.607 6.182 6.284 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.391 6.769 7.921 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.839 8.958 8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.729 6.077 4.958 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.502 9.642 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.613 6.758 4.406 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.700 8.532 5.682 1.00 0.00 H new