USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 54 SER OG : rot -81:sc= 1.41 USER MOD Set 1.2: A 55 GLN : amide:sc= 0.32 K(o=1.7,f=-1.6!) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot -170:sc= 0.127 USER MOD Set 3.1: A 7 CYS SG : rot 100:sc= -2.79! USER MOD Set 3.2: A 12 CYS SG : rot 86:sc= -0.36 USER MOD Set 3.3: A 59 CYS SG : rot -51:sc= 3.31 USER MOD Set 3.4: A 62 HIS : no HE2:sc= -3.02! C(o=-2.9!,f=-3.6!) USER MOD Single : A 6 THR OG1 : rot 18:sc= 0.717 USER MOD Single : A 11 ASN : amide:sc=-0.00949 X(o=-0.0095,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.18) USER MOD Single : A 26 HIS : no HD1:sc= -0.0202 K(o=-0.02,f=-3.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.6!) USER MOD Single : A 43 THR OG1 : rot -90:sc= 0.295 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= 0.359 (180deg=-0.698) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.665) USER MOD Single : A 79 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 1.37 K(o=1.4,f=-6.2!) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= 1.23 (180deg=1.01) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 9.483 -7.645 1.157 1.00 0.00 N ATOM 67 CA THR A 6 9.440 -7.139 -0.200 1.00 0.00 C ATOM 68 C THR A 6 8.114 -6.438 -0.488 1.00 0.00 C ATOM 69 O THR A 6 7.051 -6.894 -0.054 1.00 0.00 O ATOM 70 CB THR A 6 9.647 -8.286 -1.206 1.00 0.00 C ATOM 71 OG1 THR A 6 10.367 -9.355 -0.574 1.00 0.00 O ATOM 72 CG2 THR A 6 10.411 -7.809 -2.431 1.00 0.00 C ATOM 0 HA THR A 6 10.245 -6.412 -0.308 1.00 0.00 H new ATOM 0 HB THR A 6 8.668 -8.639 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.322 -9.249 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.543 -8.640 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.851 -7.012 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.388 -7.432 -2.127 1.00 0.00 H new ATOM 80 N CYS A 7 8.191 -5.327 -1.210 1.00 0.00 N ATOM 81 CA CYS A 7 7.014 -4.576 -1.601 1.00 0.00 C ATOM 82 C CYS A 7 6.260 -5.304 -2.703 1.00 0.00 C ATOM 83 O CYS A 7 6.835 -6.105 -3.451 1.00 0.00 O ATOM 84 CB CYS A 7 7.406 -3.180 -2.082 1.00 0.00 C ATOM 85 SG CYS A 7 6.014 -2.002 -2.171 1.00 0.00 S ATOM 0 H CYS A 7 9.070 -4.926 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 7 6.366 -4.482 -0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.166 -2.777 -1.413 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.862 -3.262 -3.069 1.00 0.00 H new ATOM 0 HG CYS A 7 6.028 -1.234 -1.122 1.00 0.00 H new ATOM 90 N GLY A 8 4.975 -5.023 -2.789 1.00 0.00 N ATOM 91 CA GLY A 8 4.160 -5.587 -3.834 1.00 0.00 C ATOM 92 C GLY A 8 3.835 -4.568 -4.900 1.00 0.00 C ATOM 93 O GLY A 8 3.064 -4.843 -5.823 1.00 0.00 O ATOM 0 H GLY A 8 4.477 -4.407 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.680 -6.432 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.235 -5.973 -3.406 1.00 0.00 H new ATOM 97 N PHE A 9 4.422 -3.383 -4.769 1.00 0.00 N ATOM 98 CA PHE A 9 4.200 -2.304 -5.716 1.00 0.00 C ATOM 99 C PHE A 9 4.966 -2.563 -7.008 1.00 0.00 C ATOM 100 O PHE A 9 6.038 -3.174 -6.986 1.00 0.00 O ATOM 101 CB PHE A 9 4.645 -0.975 -5.102 1.00 0.00 C ATOM 102 CG PHE A 9 3.587 0.088 -5.124 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.578 0.099 -4.177 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.601 1.072 -6.097 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.604 1.077 -4.195 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.632 2.051 -6.122 1.00 0.00 C ATOM 107 CZ PHE A 9 1.630 2.054 -5.173 1.00 0.00 C ATOM 0 H PHE A 9 5.060 -3.148 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 9 3.136 -2.254 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.952 -1.147 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.522 -0.613 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.552 -0.666 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.380 1.072 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.824 1.079 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.657 2.816 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.867 2.818 -5.194 1.00 0.00 H new ATOM 117 N PRO A 10 4.422 -2.120 -8.156 1.00 0.00 N ATOM 118 CA PRO A 10 5.087 -2.260 -9.456 1.00 0.00 C ATOM 119 C PRO A 10 6.456 -1.592 -9.489 1.00 0.00 C ATOM 120 O PRO A 10 7.345 -1.999 -10.239 1.00 0.00 O ATOM 121 CB PRO A 10 4.128 -1.576 -10.441 1.00 0.00 C ATOM 122 CG PRO A 10 3.207 -0.763 -9.599 1.00 0.00 C ATOM 123 CD PRO A 10 3.103 -1.484 -8.287 1.00 0.00 C ATOM 0 HA PRO A 10 5.279 -3.306 -9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.672 -0.948 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.577 -2.311 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.594 0.247 -9.460 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.229 -0.667 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.902 -0.798 -7.464 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.299 -2.220 -8.293 1.00 0.00 H new ATOM 131 N ASN A 11 6.623 -0.575 -8.666 1.00 0.00 N ATOM 132 CA ASN A 11 7.891 0.132 -8.570 1.00 0.00 C ATOM 133 C ASN A 11 8.002 0.879 -7.249 1.00 0.00 C ATOM 134 O ASN A 11 7.523 2.002 -7.115 1.00 0.00 O ATOM 135 CB ASN A 11 8.069 1.111 -9.733 1.00 0.00 C ATOM 136 CG ASN A 11 9.521 1.496 -9.933 1.00 0.00 C ATOM 137 OD1 ASN A 11 9.905 2.647 -9.733 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.337 0.534 -10.335 1.00 0.00 N ATOM 0 H ASN A 11 5.894 -0.216 -8.050 1.00 0.00 H new ATOM 0 HA ASN A 11 8.682 -0.616 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.684 0.661 -10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.478 2.008 -9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.325 0.735 -10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.978 -0.408 -10.489 1.00 0.00 H new ATOM 145 N CYS A 12 8.620 0.240 -6.272 1.00 0.00 N ATOM 146 CA CYS A 12 8.869 0.870 -4.994 1.00 0.00 C ATOM 147 C CYS A 12 10.253 1.505 -4.989 1.00 0.00 C ATOM 148 O CYS A 12 11.268 0.810 -4.934 1.00 0.00 O ATOM 149 CB CYS A 12 8.759 -0.151 -3.866 1.00 0.00 C ATOM 150 SG CYS A 12 8.735 0.578 -2.198 1.00 0.00 S ATOM 0 H CYS A 12 8.959 -0.719 -6.343 1.00 0.00 H new ATOM 0 HA CYS A 12 8.120 1.646 -4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.850 -0.736 -4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.598 -0.844 -3.935 1.00 0.00 H new ATOM 0 HG CYS A 12 7.517 0.908 -1.886 1.00 0.00 H new ATOM 155 N LYS A 13 10.286 2.823 -5.048 1.00 0.00 N ATOM 156 CA LYS A 13 11.543 3.559 -5.044 1.00 0.00 C ATOM 157 C LYS A 13 11.993 3.851 -3.615 1.00 0.00 C ATOM 158 O LYS A 13 13.045 4.452 -3.392 1.00 0.00 O ATOM 159 CB LYS A 13 11.391 4.869 -5.826 1.00 0.00 C ATOM 160 CG LYS A 13 10.605 5.946 -5.086 1.00 0.00 C ATOM 161 CD LYS A 13 9.191 6.084 -5.628 1.00 0.00 C ATOM 162 CE LYS A 13 9.182 6.647 -7.041 1.00 0.00 C ATOM 163 NZ LYS A 13 9.508 8.096 -7.069 1.00 0.00 N ATOM 0 H LYS A 13 9.454 3.411 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 13 12.303 2.944 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.382 5.256 -6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.896 4.659 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.565 5.703 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.123 6.901 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.702 5.110 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.612 6.735 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.902 6.102 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.200 6.488 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.457 8.444 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.827 8.617 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.469 8.243 -6.699 1.00 0.00 H new ATOM 177 N PHE A 14 11.197 3.408 -2.651 1.00 0.00 N ATOM 178 CA PHE A 14 11.443 3.726 -1.251 1.00 0.00 C ATOM 179 C PHE A 14 12.509 2.815 -0.649 1.00 0.00 C ATOM 180 O PHE A 14 13.363 3.269 0.108 1.00 0.00 O ATOM 181 CB PHE A 14 10.142 3.635 -0.450 1.00 0.00 C ATOM 182 CG PHE A 14 9.134 4.683 -0.833 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.499 6.018 -0.910 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.825 4.334 -1.123 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.577 6.984 -1.268 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.899 5.296 -1.481 1.00 0.00 C ATOM 187 CZ PHE A 14 7.277 6.623 -1.555 1.00 0.00 C ATOM 0 H PHE A 14 10.375 2.827 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 14 11.817 4.748 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.703 2.648 -0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.370 3.730 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.516 6.307 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.524 3.298 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.874 8.021 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.881 5.011 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.556 7.376 -1.837 1.00 0.00 H new ATOM 197 N ARG A 15 12.474 1.535 -0.999 1.00 0.00 N ATOM 198 CA ARG A 15 13.446 0.576 -0.468 1.00 0.00 C ATOM 199 C ARG A 15 14.852 0.901 -0.965 1.00 0.00 C ATOM 200 O ARG A 15 15.849 0.604 -0.298 1.00 0.00 O ATOM 201 CB ARG A 15 13.094 -0.858 -0.873 1.00 0.00 C ATOM 202 CG ARG A 15 11.608 -1.177 -0.842 1.00 0.00 C ATOM 203 CD ARG A 15 11.227 -2.116 -1.977 1.00 0.00 C ATOM 204 NE ARG A 15 11.562 -1.551 -3.285 1.00 0.00 N ATOM 205 CZ ARG A 15 12.362 -2.135 -4.176 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.884 -3.330 -3.926 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.630 -1.519 -5.321 1.00 0.00 N ATOM 0 H ARG A 15 11.791 1.135 -1.642 1.00 0.00 H new ATOM 0 HA ARG A 15 13.414 0.655 0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.471 -1.040 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.614 -1.548 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.350 -1.633 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.033 -0.254 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.742 -3.068 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.158 -2.324 -1.934 1.00 0.00 H new ATOM 0 HE ARG A 15 11.155 -0.649 -3.531 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.673 -3.805 -3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.496 -3.773 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.224 -0.604 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.242 -1.961 -6.007 1.00 0.00 H new ATOM 368 N ARG A 25 10.552 0.103 8.150 1.00 0.00 N ATOM 369 CA ARG A 25 9.276 0.763 7.938 1.00 0.00 C ATOM 370 C ARG A 25 8.151 -0.211 8.248 1.00 0.00 C ATOM 371 O ARG A 25 8.397 -1.303 8.766 1.00 0.00 O ATOM 372 CB ARG A 25 9.154 1.248 6.489 1.00 0.00 C ATOM 373 CG ARG A 25 9.514 2.714 6.286 1.00 0.00 C ATOM 374 CD ARG A 25 10.044 2.979 4.878 1.00 0.00 C ATOM 375 NE ARG A 25 10.268 1.743 4.123 1.00 0.00 N ATOM 376 CZ ARG A 25 9.449 1.296 3.174 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.437 2.043 2.771 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.657 0.120 2.600 1.00 0.00 N ATOM 0 HA ARG A 25 9.211 1.627 8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.799 0.637 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.131 1.087 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.634 3.332 6.466 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.266 3.008 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.336 3.608 4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.979 3.536 4.943 1.00 0.00 H new ATOM 0 HE ARG A 25 11.100 1.193 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.284 2.962 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.809 1.701 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.451 -0.453 2.884 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.023 -0.212 1.874 1.00 0.00 H new ATOM 392 N HIS A 26 6.932 0.171 7.912 1.00 0.00 N ATOM 393 CA HIS A 26 5.780 -0.685 8.129 1.00 0.00 C ATOM 394 C HIS A 26 5.296 -1.249 6.802 1.00 0.00 C ATOM 395 O HIS A 26 5.447 -0.616 5.757 1.00 0.00 O ATOM 396 CB HIS A 26 4.654 0.091 8.818 1.00 0.00 C ATOM 397 CG HIS A 26 3.818 -0.746 9.739 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.830 -2.118 9.674 1.00 0.00 N ATOM 399 CD2 HIS A 26 2.974 -0.359 10.727 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.000 -2.533 10.614 1.00 0.00 C ATOM 401 NE2 HIS A 26 2.454 -1.503 11.279 1.00 0.00 N ATOM 0 H HIS A 26 6.714 1.072 7.486 1.00 0.00 H new ATOM 0 HA HIS A 26 6.075 -1.509 8.779 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.087 0.916 9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.010 0.531 8.057 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.753 0.656 11.023 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.787 -3.571 10.821 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.783 -1.559 12.045 1.00 0.00 H new ATOM 409 N PHE A 27 4.728 -2.440 6.850 1.00 0.00 N ATOM 410 CA PHE A 27 4.233 -3.104 5.658 1.00 0.00 C ATOM 411 C PHE A 27 2.838 -3.642 5.920 1.00 0.00 C ATOM 412 O PHE A 27 2.653 -4.525 6.759 1.00 0.00 O ATOM 413 CB PHE A 27 5.173 -4.241 5.248 1.00 0.00 C ATOM 414 CG PHE A 27 6.352 -3.781 4.443 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.502 -3.330 5.068 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.311 -3.800 3.058 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.587 -2.905 4.329 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.392 -3.377 2.314 1.00 0.00 C ATOM 419 CZ PHE A 27 8.532 -2.929 2.950 1.00 0.00 C ATOM 0 H PHE A 27 4.597 -2.972 7.711 1.00 0.00 H new ATOM 0 HA PHE A 27 4.193 -2.384 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.530 -4.748 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.612 -4.975 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.550 -3.311 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.422 -4.150 2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.478 -2.554 4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.347 -3.396 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.380 -2.598 2.369 1.00 0.00 H new ATOM 429 N TYR A 28 1.862 -3.104 5.215 1.00 0.00 N ATOM 430 CA TYR A 28 0.471 -3.460 5.447 1.00 0.00 C ATOM 431 C TYR A 28 0.124 -4.789 4.787 1.00 0.00 C ATOM 432 O TYR A 28 0.729 -5.175 3.784 1.00 0.00 O ATOM 433 CB TYR A 28 -0.454 -2.360 4.929 1.00 0.00 C ATOM 434 CG TYR A 28 -0.247 -1.025 5.616 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.117 -0.942 6.998 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.175 0.151 4.882 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.075 0.272 7.625 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.015 1.370 5.505 1.00 0.00 C ATOM 439 CZ TYR A 28 0.141 1.425 6.875 1.00 0.00 C ATOM 440 OH TYR A 28 0.332 2.637 7.498 1.00 0.00 O ATOM 0 H TYR A 28 2.005 -2.417 4.475 1.00 0.00 H new ATOM 0 HA TYR A 28 0.329 -3.567 6.522 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.295 -2.237 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.489 -2.673 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.167 -1.843 7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.269 0.113 3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.173 0.318 8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.064 2.276 4.919 1.00 0.00 H new ATOM 0 HH TYR A 28 0.356 3.350 6.826 1.00 0.00 H new ATOM 450 N ARG A 29 -0.864 -5.470 5.355 1.00 0.00 N ATOM 451 CA ARG A 29 -1.275 -6.791 4.891 1.00 0.00 C ATOM 452 C ARG A 29 -2.435 -6.685 3.908 1.00 0.00 C ATOM 453 O ARG A 29 -3.052 -7.691 3.555 1.00 0.00 O ATOM 454 CB ARG A 29 -1.689 -7.657 6.086 1.00 0.00 C ATOM 455 CG ARG A 29 -1.183 -9.089 6.014 1.00 0.00 C ATOM 456 CD ARG A 29 0.331 -9.152 6.112 1.00 0.00 C ATOM 457 NE ARG A 29 0.821 -8.711 7.419 1.00 0.00 N ATOM 458 CZ ARG A 29 1.318 -9.529 8.351 1.00 0.00 C ATOM 459 NH1 ARG A 29 1.354 -10.841 8.148 1.00 0.00 N ATOM 460 NH2 ARG A 29 1.773 -9.034 9.495 1.00 0.00 N ATOM 0 H ARG A 29 -1.403 -5.123 6.149 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.430 -7.253 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.318 -7.197 7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.777 -7.669 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.625 -9.673 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.507 -9.543 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.663 -10.174 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.770 -8.529 5.333 1.00 0.00 H new ATOM 0 HE ARG A 29 0.780 -7.714 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.000 -11.232 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.735 -11.458 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.743 -8.028 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.152 -9.659 10.206 1.00 0.00 H new ATOM 474 N ILE A 30 -2.716 -5.453 3.486 1.00 0.00 N ATOM 475 CA ILE A 30 -3.799 -5.152 2.552 1.00 0.00 C ATOM 476 C ILE A 30 -5.169 -5.276 3.219 1.00 0.00 C ATOM 477 O ILE A 30 -5.571 -6.348 3.674 1.00 0.00 O ATOM 478 CB ILE A 30 -3.746 -6.043 1.293 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.452 -5.780 0.522 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.954 -5.799 0.395 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.771 -7.040 0.040 1.00 0.00 C ATOM 0 H ILE A 30 -2.194 -4.629 3.785 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.654 -4.117 2.241 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.769 -7.085 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.672 -5.145 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.764 -5.226 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.889 -6.440 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.868 -6.027 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.970 -4.755 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.860 -6.778 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.519 -7.667 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.442 -7.585 -0.625 1.00 0.00 H new ATOM 493 N PRO A 31 -5.892 -4.151 3.297 1.00 0.00 N ATOM 494 CA PRO A 31 -7.237 -4.099 3.867 1.00 0.00 C ATOM 495 C PRO A 31 -8.233 -4.921 3.062 1.00 0.00 C ATOM 496 O PRO A 31 -8.498 -4.620 1.905 1.00 0.00 O ATOM 497 CB PRO A 31 -7.621 -2.615 3.791 1.00 0.00 C ATOM 498 CG PRO A 31 -6.362 -1.875 3.509 1.00 0.00 C ATOM 499 CD PRO A 31 -5.444 -2.841 2.822 1.00 0.00 C ATOM 0 HA PRO A 31 -7.253 -4.507 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.358 -2.443 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.068 -2.280 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.555 -1.008 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.915 -1.505 4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.520 -2.762 1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.402 -2.656 3.083 1.00 0.00 H new ATOM 507 N LYS A 32 -8.790 -5.950 3.675 1.00 0.00 N ATOM 508 CA LYS A 32 -9.803 -6.766 3.022 1.00 0.00 C ATOM 509 C LYS A 32 -11.173 -6.409 3.576 1.00 0.00 C ATOM 510 O LYS A 32 -12.066 -7.252 3.676 1.00 0.00 O ATOM 511 CB LYS A 32 -9.513 -8.252 3.231 1.00 0.00 C ATOM 512 CG LYS A 32 -9.050 -8.960 1.971 1.00 0.00 C ATOM 513 CD LYS A 32 -7.785 -9.765 2.218 1.00 0.00 C ATOM 514 CE LYS A 32 -8.046 -10.945 3.142 1.00 0.00 C ATOM 515 NZ LYS A 32 -6.909 -11.182 4.070 1.00 0.00 N ATOM 0 H LYS A 32 -8.559 -6.242 4.625 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.786 -6.567 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.749 -8.360 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.413 -8.741 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.839 -9.621 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.868 -8.226 1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.391 -10.126 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.022 -9.121 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.953 -10.762 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.222 -11.841 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.125 -11.994 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.049 -11.382 3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.757 -10.336 4.656 1.00 0.00 H new ATOM 529 N ARG A 33 -11.319 -5.145 3.939 1.00 0.00 N ATOM 530 CA ARG A 33 -12.547 -4.642 4.527 1.00 0.00 C ATOM 531 C ARG A 33 -12.534 -3.118 4.519 1.00 0.00 C ATOM 532 O ARG A 33 -11.688 -2.501 5.165 1.00 0.00 O ATOM 533 CB ARG A 33 -12.702 -5.156 5.963 1.00 0.00 C ATOM 534 CG ARG A 33 -14.088 -4.937 6.544 1.00 0.00 C ATOM 535 CD ARG A 33 -14.015 -4.325 7.935 1.00 0.00 C ATOM 536 NE ARG A 33 -13.418 -2.989 7.920 1.00 0.00 N ATOM 537 CZ ARG A 33 -14.122 -1.856 7.941 1.00 0.00 C ATOM 538 NH1 ARG A 33 -15.449 -1.887 7.938 1.00 0.00 N ATOM 539 NH2 ARG A 33 -13.501 -0.687 7.946 1.00 0.00 N ATOM 0 H ARG A 33 -10.589 -4.440 3.834 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.391 -4.999 3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.473 -6.221 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.969 -4.659 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.661 -4.283 5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.619 -5.888 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.018 -4.268 8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.430 -4.975 8.586 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.401 -2.920 7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.938 -2.782 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.980 -1.016 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.482 -0.651 7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.042 0.178 7.962 1.00 0.00 H new ATOM 553 N PRO A 34 -13.452 -2.487 3.772 1.00 0.00 N ATOM 554 CA PRO A 34 -14.437 -3.178 2.937 1.00 0.00 C ATOM 555 C PRO A 34 -13.841 -3.674 1.613 1.00 0.00 C ATOM 556 O PRO A 34 -12.723 -3.304 1.244 1.00 0.00 O ATOM 557 CB PRO A 34 -15.507 -2.104 2.673 1.00 0.00 C ATOM 558 CG PRO A 34 -15.095 -0.900 3.461 1.00 0.00 C ATOM 559 CD PRO A 34 -13.621 -1.035 3.698 1.00 0.00 C ATOM 0 HA PRO A 34 -14.823 -4.072 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.570 -1.871 1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.493 -2.453 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.318 0.017 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.637 -0.849 4.405 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.037 -0.598 2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.310 -0.541 4.619 1.00 0.00 H new ATOM 567 N LEU A 35 -14.605 -4.501 0.907 1.00 0.00 N ATOM 568 CA LEU A 35 -14.158 -5.117 -0.342 1.00 0.00 C ATOM 569 C LEU A 35 -13.823 -4.074 -1.411 1.00 0.00 C ATOM 570 O LEU A 35 -12.819 -4.201 -2.108 1.00 0.00 O ATOM 571 CB LEU A 35 -15.234 -6.070 -0.867 1.00 0.00 C ATOM 572 CG LEU A 35 -14.711 -7.385 -1.446 1.00 0.00 C ATOM 573 CD1 LEU A 35 -15.484 -8.562 -0.875 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.805 -7.374 -2.963 1.00 0.00 C ATOM 0 H LEU A 35 -15.551 -4.764 1.182 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.245 -5.672 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.923 -6.298 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.809 -5.555 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.663 -7.491 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.099 -9.490 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.369 -8.582 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.540 -8.460 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.428 -8.318 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.845 -7.245 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.209 -6.552 -3.359 1.00 0.00 H new ATOM 586 N ILE A 36 -14.656 -3.045 -1.533 1.00 0.00 N ATOM 587 CA ILE A 36 -14.458 -2.021 -2.557 1.00 0.00 C ATOM 588 C ILE A 36 -13.167 -1.240 -2.306 1.00 0.00 C ATOM 589 O ILE A 36 -12.465 -0.866 -3.246 1.00 0.00 O ATOM 590 CB ILE A 36 -15.665 -1.052 -2.633 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.900 -1.785 -3.175 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.347 0.160 -3.505 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.616 -2.640 -4.392 1.00 0.00 C ATOM 0 H ILE A 36 -15.472 -2.897 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.375 -2.533 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.875 -0.696 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.312 -2.416 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.665 -1.051 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.213 0.821 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.497 0.697 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.104 -0.172 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.536 -3.126 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.233 -2.012 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.875 -3.398 -4.139 1.00 0.00 H new ATOM 605 N LEU A 37 -12.841 -1.021 -1.038 1.00 0.00 N ATOM 606 CA LEU A 37 -11.593 -0.355 -0.688 1.00 0.00 C ATOM 607 C LEU A 37 -10.414 -1.223 -1.109 1.00 0.00 C ATOM 608 O LEU A 37 -9.437 -0.734 -1.669 1.00 0.00 O ATOM 609 CB LEU A 37 -11.528 -0.069 0.815 1.00 0.00 C ATOM 610 CG LEU A 37 -10.115 -0.021 1.402 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.570 1.398 1.396 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.108 -0.587 2.807 1.00 0.00 C ATOM 0 H LEU A 37 -13.418 -1.292 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.548 0.598 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.019 0.884 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.098 -0.835 1.341 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.466 -0.634 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.565 1.404 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.535 1.770 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.218 2.039 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.096 -0.546 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.775 -0.000 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.448 -1.622 2.784 1.00 0.00 H new ATOM 624 N ARG A 38 -10.529 -2.519 -0.849 1.00 0.00 N ATOM 625 CA ARG A 38 -9.506 -3.479 -1.239 1.00 0.00 C ATOM 626 C ARG A 38 -9.375 -3.518 -2.766 1.00 0.00 C ATOM 627 O ARG A 38 -8.280 -3.677 -3.307 1.00 0.00 O ATOM 628 CB ARG A 38 -9.853 -4.865 -0.673 1.00 0.00 C ATOM 629 CG ARG A 38 -9.972 -5.976 -1.707 1.00 0.00 C ATOM 630 CD ARG A 38 -10.959 -7.039 -1.252 1.00 0.00 C ATOM 631 NE ARG A 38 -11.215 -8.038 -2.288 1.00 0.00 N ATOM 632 CZ ARG A 38 -11.347 -9.344 -2.047 1.00 0.00 C ATOM 633 NH1 ARG A 38 -11.360 -9.801 -0.803 1.00 0.00 N ATOM 634 NH2 ARG A 38 -11.517 -10.190 -3.051 1.00 0.00 N ATOM 0 H ARG A 38 -11.327 -2.931 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.544 -3.173 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.089 -5.145 0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.796 -4.793 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.296 -5.558 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.995 -6.429 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.572 -7.534 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.898 -6.563 -0.970 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.298 -7.718 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.269 -9.153 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.461 -10.801 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.547 -9.844 -4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.618 -11.188 -2.866 1.00 0.00 H new ATOM 648 N GLN A 39 -10.505 -3.354 -3.448 1.00 0.00 N ATOM 649 CA GLN A 39 -10.529 -3.301 -4.905 1.00 0.00 C ATOM 650 C GLN A 39 -9.809 -2.052 -5.406 1.00 0.00 C ATOM 651 O GLN A 39 -9.094 -2.090 -6.408 1.00 0.00 O ATOM 652 CB GLN A 39 -11.972 -3.310 -5.409 1.00 0.00 C ATOM 653 CG GLN A 39 -12.163 -4.107 -6.685 1.00 0.00 C ATOM 654 CD GLN A 39 -13.283 -3.565 -7.552 1.00 0.00 C ATOM 655 OE1 GLN A 39 -13.592 -2.372 -7.525 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.901 -4.440 -8.324 1.00 0.00 N ATOM 0 H GLN A 39 -11.421 -3.255 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.013 -4.180 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.617 -3.722 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.295 -2.283 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.233 -4.102 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.376 -5.146 -6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.614 -5.419 -8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.665 -4.137 -8.928 1.00 0.00 H new ATOM 665 N ARG A 40 -9.999 -0.948 -4.692 1.00 0.00 N ATOM 666 CA ARG A 40 -9.335 0.305 -5.024 1.00 0.00 C ATOM 667 C ARG A 40 -7.849 0.219 -4.704 1.00 0.00 C ATOM 668 O ARG A 40 -7.031 0.892 -5.325 1.00 0.00 O ATOM 669 CB ARG A 40 -9.972 1.467 -4.264 1.00 0.00 C ATOM 670 CG ARG A 40 -11.118 2.119 -5.005 1.00 0.00 C ATOM 671 CD ARG A 40 -10.621 3.043 -6.105 1.00 0.00 C ATOM 672 NE ARG A 40 -11.655 3.303 -7.106 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.616 2.854 -8.360 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.578 2.143 -8.785 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.618 3.124 -9.190 1.00 0.00 N ATOM 0 H ARG A 40 -10.610 -0.897 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.453 0.483 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.332 1.106 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.209 2.218 -4.059 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.757 1.349 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.731 2.685 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.294 3.986 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.751 2.598 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.459 3.865 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.806 1.938 -8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.553 1.802 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.414 3.674 -8.867 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.591 2.782 -10.150 1.00 0.00 H new ATOM 689 N TRP A 41 -7.508 -0.618 -3.732 1.00 0.00 N ATOM 690 CA TRP A 41 -6.117 -0.858 -3.373 1.00 0.00 C ATOM 691 C TRP A 41 -5.379 -1.506 -4.538 1.00 0.00 C ATOM 692 O TRP A 41 -4.225 -1.180 -4.817 1.00 0.00 O ATOM 693 CB TRP A 41 -6.043 -1.745 -2.128 1.00 0.00 C ATOM 694 CG TRP A 41 -5.769 -0.969 -0.885 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.578 -0.035 -0.313 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.603 -1.050 -0.063 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.987 0.472 0.816 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.773 -0.134 0.989 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.433 -1.808 -0.116 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.818 0.047 1.982 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.482 -1.628 0.869 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.680 -0.707 1.906 1.00 0.00 C ATOM 0 H TRP A 41 -8.181 -1.145 -3.175 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.638 0.095 -3.149 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.983 -2.285 -2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.261 -2.492 -2.265 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.544 0.263 -0.693 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.387 1.184 1.427 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.274 -2.521 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.969 0.756 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.571 -2.207 0.839 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.917 -0.590 2.662 1.00 0.00 H new ATOM 713 N LEU A 42 -6.066 -2.411 -5.225 1.00 0.00 N ATOM 714 CA LEU A 42 -5.524 -3.063 -6.412 1.00 0.00 C ATOM 715 C LEU A 42 -5.215 -2.044 -7.510 1.00 0.00 C ATOM 716 O LEU A 42 -4.332 -2.263 -8.336 1.00 0.00 O ATOM 717 CB LEU A 42 -6.507 -4.117 -6.934 1.00 0.00 C ATOM 718 CG LEU A 42 -6.977 -5.137 -5.894 1.00 0.00 C ATOM 719 CD1 LEU A 42 -8.037 -6.055 -6.483 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.801 -5.947 -5.376 1.00 0.00 C ATOM 0 H LEU A 42 -7.008 -2.712 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.592 -3.552 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.380 -3.607 -7.341 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.037 -4.652 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.420 -4.595 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.358 -6.772 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.893 -5.462 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.622 -6.589 -7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.153 -6.667 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.331 -6.477 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.074 -5.279 -4.914 1.00 0.00 H new ATOM 732 N THR A 43 -5.932 -0.922 -7.495 1.00 0.00 N ATOM 733 CA THR A 43 -5.744 0.146 -8.477 1.00 0.00 C ATOM 734 C THR A 43 -4.327 0.727 -8.408 1.00 0.00 C ATOM 735 O THR A 43 -3.801 1.238 -9.399 1.00 0.00 O ATOM 736 CB THR A 43 -6.774 1.277 -8.248 1.00 0.00 C ATOM 737 OG1 THR A 43 -8.101 0.731 -8.235 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.674 2.364 -9.314 1.00 0.00 C ATOM 0 H THR A 43 -6.657 -0.727 -6.805 1.00 0.00 H new ATOM 0 HA THR A 43 -5.893 -0.289 -9.465 1.00 0.00 H new ATOM 0 HB THR A 43 -6.552 1.736 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.466 0.737 -9.144 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.415 3.138 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.676 2.803 -9.294 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.859 1.929 -10.296 1.00 0.00 H new ATOM 746 N ALA A 44 -3.708 0.631 -7.239 1.00 0.00 N ATOM 747 CA ALA A 44 -2.394 1.222 -7.023 1.00 0.00 C ATOM 748 C ALA A 44 -1.265 0.271 -7.405 1.00 0.00 C ATOM 749 O ALA A 44 -0.131 0.699 -7.627 1.00 0.00 O ATOM 750 CB ALA A 44 -2.252 1.639 -5.573 1.00 0.00 C ATOM 0 H ALA A 44 -4.094 0.150 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.315 2.096 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.268 2.080 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.021 2.371 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.365 0.766 -4.931 1.00 0.00 H new ATOM 756 N ILE A 45 -1.572 -1.014 -7.488 1.00 0.00 N ATOM 757 CA ILE A 45 -0.548 -2.020 -7.744 1.00 0.00 C ATOM 758 C ILE A 45 -0.753 -2.700 -9.089 1.00 0.00 C ATOM 759 O ILE A 45 0.130 -3.404 -9.576 1.00 0.00 O ATOM 760 CB ILE A 45 -0.513 -3.099 -6.636 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.910 -3.303 -6.039 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.489 -2.715 -5.559 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.914 -3.901 -4.645 1.00 0.00 C ATOM 0 H ILE A 45 -2.516 -1.386 -7.383 1.00 0.00 H new ATOM 0 HA ILE A 45 0.404 -1.489 -7.753 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.195 -4.044 -7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.424 -2.342 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.484 -3.952 -6.701 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.504 -3.483 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.482 -2.626 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.201 -1.761 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.942 -4.011 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.432 -4.878 -4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.371 -3.244 -3.966 1.00 0.00 H new ATOM 775 N GLY A 46 -1.921 -2.487 -9.684 1.00 0.00 N ATOM 776 CA GLY A 46 -2.240 -3.128 -10.944 1.00 0.00 C ATOM 777 C GLY A 46 -2.384 -4.627 -10.787 1.00 0.00 C ATOM 778 O GLY A 46 -2.149 -5.388 -11.726 1.00 0.00 O ATOM 0 H GLY A 46 -2.653 -1.881 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.167 -2.713 -11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.458 -2.911 -11.671 1.00 0.00 H new ATOM 782 N ARG A 47 -2.782 -5.048 -9.596 1.00 0.00 N ATOM 783 CA ARG A 47 -2.864 -6.463 -9.271 1.00 0.00 C ATOM 784 C ARG A 47 -4.312 -6.919 -9.177 1.00 0.00 C ATOM 785 O ARG A 47 -5.232 -6.102 -9.183 1.00 0.00 O ATOM 786 CB ARG A 47 -2.159 -6.734 -7.941 1.00 0.00 C ATOM 787 CG ARG A 47 -1.020 -7.727 -8.047 1.00 0.00 C ATOM 788 CD ARG A 47 0.324 -7.038 -7.916 1.00 0.00 C ATOM 789 NE ARG A 47 0.921 -6.754 -9.220 1.00 0.00 N ATOM 790 CZ ARG A 47 2.156 -6.285 -9.393 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.922 -6.019 -8.343 1.00 0.00 N ATOM 792 NH2 ARG A 47 2.616 -6.064 -10.618 1.00 0.00 N ATOM 0 H ARG A 47 -3.054 -4.426 -8.835 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.374 -7.022 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.774 -5.794 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.889 -7.107 -7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.121 -8.484 -7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.074 -8.245 -9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.202 -6.107 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.000 -7.667 -7.337 1.00 0.00 H new ATOM 0 HE ARG A 47 0.355 -6.926 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.566 -6.173 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.867 -5.660 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.024 -6.253 -11.427 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.561 -5.705 -10.751 1.00 0.00 H new ATOM 806 N THR A 48 -4.500 -8.228 -9.097 1.00 0.00 N ATOM 807 CA THR A 48 -5.810 -8.800 -8.853 1.00 0.00 C ATOM 808 C THR A 48 -5.863 -9.342 -7.424 1.00 0.00 C ATOM 809 O THR A 48 -4.874 -9.258 -6.694 1.00 0.00 O ATOM 810 CB THR A 48 -6.134 -9.912 -9.869 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.150 -9.927 -10.918 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.514 -9.692 -10.472 1.00 0.00 C ATOM 0 H THR A 48 -3.754 -8.916 -9.199 1.00 0.00 H new ATOM 0 HA THR A 48 -6.562 -8.021 -8.975 1.00 0.00 H new ATOM 0 HB THR A 48 -6.120 -10.869 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.364 -10.638 -11.557 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.729 -10.485 -11.188 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.263 -9.705 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.540 -8.728 -10.980 1.00 0.00 H new ATOM 820 N GLU A 49 -6.988 -9.914 -7.022 1.00 0.00 N ATOM 821 CA GLU A 49 -7.174 -10.295 -5.624 1.00 0.00 C ATOM 822 C GLU A 49 -6.505 -11.632 -5.316 1.00 0.00 C ATOM 823 O GLU A 49 -6.135 -11.899 -4.173 1.00 0.00 O ATOM 824 CB GLU A 49 -8.659 -10.339 -5.259 1.00 0.00 C ATOM 825 CG GLU A 49 -9.579 -10.678 -6.419 1.00 0.00 C ATOM 826 CD GLU A 49 -11.015 -10.846 -5.976 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.702 -9.822 -5.772 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.459 -11.999 -5.798 1.00 0.00 O ATOM 0 H GLU A 49 -7.778 -10.124 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.694 -9.532 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.805 -11.075 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.950 -9.371 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.521 -9.889 -7.169 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.237 -11.597 -6.896 1.00 0.00 H new ATOM 835 N GLU A 50 -6.339 -12.461 -6.334 1.00 0.00 N ATOM 836 CA GLU A 50 -5.648 -13.737 -6.170 1.00 0.00 C ATOM 837 C GLU A 50 -4.140 -13.518 -6.165 1.00 0.00 C ATOM 838 O GLU A 50 -3.370 -14.371 -5.725 1.00 0.00 O ATOM 839 CB GLU A 50 -6.014 -14.719 -7.290 1.00 0.00 C ATOM 840 CG GLU A 50 -7.349 -14.442 -7.962 1.00 0.00 C ATOM 841 CD GLU A 50 -7.250 -13.360 -9.016 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.674 -13.613 -10.096 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.736 -12.243 -8.756 1.00 0.00 O ATOM 0 H GLU A 50 -6.671 -12.277 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.963 -14.165 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.230 -14.696 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.031 -15.728 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.719 -15.359 -8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.078 -14.145 -7.208 1.00 0.00 H new ATOM 850 N THR A 51 -3.730 -12.361 -6.658 1.00 0.00 N ATOM 851 CA THR A 51 -2.324 -12.025 -6.761 1.00 0.00 C ATOM 852 C THR A 51 -1.875 -11.139 -5.602 1.00 0.00 C ATOM 853 O THR A 51 -0.741 -11.237 -5.139 1.00 0.00 O ATOM 854 CB THR A 51 -2.047 -11.296 -8.085 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.287 -11.063 -8.772 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.115 -12.107 -8.968 1.00 0.00 C ATOM 0 H THR A 51 -4.360 -11.634 -6.996 1.00 0.00 H new ATOM 0 HA THR A 51 -1.762 -12.958 -6.726 1.00 0.00 H new ATOM 0 HB THR A 51 -1.564 -10.345 -7.862 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.103 -10.744 -9.680 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.935 -11.569 -9.899 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.168 -12.264 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.571 -13.072 -9.189 1.00 0.00 H new ATOM 864 N VAL A 52 -2.775 -10.283 -5.137 1.00 0.00 N ATOM 865 CA VAL A 52 -2.447 -9.323 -4.094 1.00 0.00 C ATOM 866 C VAL A 52 -2.245 -10.006 -2.744 1.00 0.00 C ATOM 867 O VAL A 52 -1.464 -9.547 -1.916 1.00 0.00 O ATOM 868 CB VAL A 52 -3.529 -8.217 -3.991 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.781 -8.713 -3.279 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.977 -6.981 -3.303 1.00 0.00 C ATOM 0 H VAL A 52 -3.739 -10.235 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.504 -8.853 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.814 -7.949 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.514 -7.908 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.204 -9.554 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.523 -9.033 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.755 -6.220 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.646 -7.241 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.133 -6.593 -3.874 1.00 0.00 H new ATOM 880 N VAL A 53 -2.921 -11.121 -2.539 1.00 0.00 N ATOM 881 CA VAL A 53 -2.798 -11.846 -1.280 1.00 0.00 C ATOM 882 C VAL A 53 -1.840 -13.022 -1.430 1.00 0.00 C ATOM 883 O VAL A 53 -2.231 -14.182 -1.314 1.00 0.00 O ATOM 884 CB VAL A 53 -4.154 -12.361 -0.751 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.078 -12.599 0.750 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.278 -11.388 -1.075 1.00 0.00 C ATOM 0 H VAL A 53 -3.555 -11.544 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.406 -11.133 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.373 -13.305 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.041 -12.962 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.308 -13.341 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.831 -11.665 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.220 -11.779 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.069 -10.423 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.352 -11.264 -2.155 1.00 0.00 H new ATOM 896 N SER A 54 -0.588 -12.713 -1.710 1.00 0.00 N ATOM 897 CA SER A 54 0.442 -13.731 -1.835 1.00 0.00 C ATOM 898 C SER A 54 1.537 -13.482 -0.802 1.00 0.00 C ATOM 899 O SER A 54 1.423 -13.896 0.352 1.00 0.00 O ATOM 900 CB SER A 54 1.015 -13.703 -3.250 1.00 0.00 C ATOM 901 OG SER A 54 1.188 -12.366 -3.692 1.00 0.00 O ATOM 0 H SER A 54 -0.257 -11.759 -1.856 1.00 0.00 H new ATOM 0 HA SER A 54 0.013 -14.716 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.971 -14.225 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.347 -14.233 -3.929 1.00 0.00 H new ATOM 0 HG SER A 54 0.331 -12.013 -4.010 1.00 0.00 H new ATOM 907 N GLN A 55 2.593 -12.804 -1.225 1.00 0.00 N ATOM 908 CA GLN A 55 3.623 -12.334 -0.313 1.00 0.00 C ATOM 909 C GLN A 55 3.655 -10.813 -0.360 1.00 0.00 C ATOM 910 O GLN A 55 4.516 -10.163 0.245 1.00 0.00 O ATOM 911 CB GLN A 55 4.992 -12.926 -0.683 1.00 0.00 C ATOM 912 CG GLN A 55 5.666 -12.243 -1.863 1.00 0.00 C ATOM 913 CD GLN A 55 5.315 -12.885 -3.190 1.00 0.00 C ATOM 914 OE1 GLN A 55 4.202 -12.730 -3.693 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.254 -13.620 -3.759 1.00 0.00 N ATOM 0 H GLN A 55 2.759 -12.566 -2.203 1.00 0.00 H new ATOM 0 HA GLN A 55 3.394 -12.662 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.650 -12.862 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.868 -13.984 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.375 -11.193 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.747 -12.272 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.164 -13.723 -3.309 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.069 -14.084 -4.648 1.00 0.00 H new ATOM 924 N LEU A 56 2.692 -10.267 -1.092 1.00 0.00 N ATOM 925 CA LEU A 56 2.586 -8.835 -1.312 1.00 0.00 C ATOM 926 C LEU A 56 2.389 -8.088 -0.001 1.00 0.00 C ATOM 927 O LEU A 56 1.489 -8.396 0.777 1.00 0.00 O ATOM 928 CB LEU A 56 1.416 -8.537 -2.252 1.00 0.00 C ATOM 929 CG LEU A 56 1.779 -7.778 -3.527 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.918 -8.736 -4.699 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.733 -6.715 -3.827 1.00 0.00 C ATOM 0 H LEU A 56 1.960 -10.810 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 56 3.517 -8.495 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.947 -9.480 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.670 -7.960 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 56 2.739 -7.285 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.177 -8.176 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.703 -9.461 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.974 -9.258 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.006 -6.183 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.239 -7.189 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.682 -6.010 -2.997 1.00 0.00 H new ATOM 943 N ARG A 57 3.251 -7.121 0.240 1.00 0.00 N ATOM 944 CA ARG A 57 3.134 -6.260 1.400 1.00 0.00 C ATOM 945 C ARG A 57 3.326 -4.819 0.956 1.00 0.00 C ATOM 946 O ARG A 57 4.203 -4.532 0.143 1.00 0.00 O ATOM 947 CB ARG A 57 4.163 -6.647 2.466 1.00 0.00 C ATOM 948 CG ARG A 57 3.548 -7.280 3.706 1.00 0.00 C ATOM 949 CD ARG A 57 3.269 -8.763 3.501 1.00 0.00 C ATOM 950 NE ARG A 57 4.481 -9.517 3.175 1.00 0.00 N ATOM 951 CZ ARG A 57 5.246 -10.136 4.077 1.00 0.00 C ATOM 952 NH1 ARG A 57 4.933 -10.099 5.369 1.00 0.00 N ATOM 953 NH2 ARG A 57 6.333 -10.791 3.693 1.00 0.00 N ATOM 0 H ARG A 57 4.049 -6.910 -0.359 1.00 0.00 H new ATOM 0 HA ARG A 57 2.146 -6.374 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.880 -7.343 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.720 -5.758 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.221 -7.150 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.620 -6.766 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.820 -9.174 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.541 -8.886 2.699 1.00 0.00 H new ATOM 0 HE ARG A 57 4.759 -9.573 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.102 -9.595 5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.524 -10.575 6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.587 -10.823 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.915 -11.263 4.385 1.00 0.00 H new ATOM 967 N ILE A 58 2.497 -3.923 1.460 1.00 0.00 N ATOM 968 CA ILE A 58 2.521 -2.541 1.009 1.00 0.00 C ATOM 969 C ILE A 58 3.083 -1.620 2.082 1.00 0.00 C ATOM 970 O ILE A 58 2.542 -1.540 3.185 1.00 0.00 O ATOM 971 CB ILE A 58 1.112 -2.058 0.604 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.511 -2.983 -0.462 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.160 -0.622 0.100 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.330 -3.071 -1.735 1.00 0.00 C ATOM 0 H ILE A 58 1.801 -4.125 2.178 1.00 0.00 H new ATOM 0 HA ILE A 58 3.171 -2.503 0.135 1.00 0.00 H new ATOM 0 HB ILE A 58 0.473 -2.089 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.403 -3.983 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.491 -2.632 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.157 -0.301 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.542 0.027 0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.816 -0.563 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.839 -3.744 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.417 -2.080 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.324 -3.452 -1.502 1.00 0.00 H new ATOM 986 N CYS A 59 4.175 -0.943 1.747 1.00 0.00 N ATOM 987 CA CYS A 59 4.808 0.007 2.649 1.00 0.00 C ATOM 988 C CYS A 59 3.829 1.064 3.157 1.00 0.00 C ATOM 989 O CYS A 59 2.923 1.497 2.436 1.00 0.00 O ATOM 990 CB CYS A 59 5.949 0.718 1.935 1.00 0.00 C ATOM 991 SG CYS A 59 7.091 -0.370 1.031 1.00 0.00 S ATOM 0 H CYS A 59 4.644 -1.038 0.846 1.00 0.00 H new ATOM 0 HA CYS A 59 5.176 -0.563 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.526 1.437 1.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.519 1.286 2.670 1.00 0.00 H new ATOM 0 HG CYS A 59 7.488 -1.329 1.814 1.00 0.00 H new ATOM 996 N SER A 60 4.047 1.504 4.390 1.00 0.00 N ATOM 997 CA SER A 60 3.285 2.602 4.968 1.00 0.00 C ATOM 998 C SER A 60 3.632 3.914 4.267 1.00 0.00 C ATOM 999 O SER A 60 2.888 4.892 4.335 1.00 0.00 O ATOM 1000 CB SER A 60 3.604 2.716 6.458 1.00 0.00 C ATOM 1001 OG SER A 60 4.980 2.446 6.703 1.00 0.00 O ATOM 0 H SER A 60 4.753 1.112 5.014 1.00 0.00 H new ATOM 0 HA SER A 60 2.222 2.403 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.357 3.717 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.986 2.017 7.021 1.00 0.00 H new ATOM 0 HG SER A 60 5.163 2.526 7.662 1.00 0.00 H new ATOM 1007 N ALA A 61 4.766 3.914 3.574 1.00 0.00 N ATOM 1008 CA ALA A 61 5.281 5.118 2.931 1.00 0.00 C ATOM 1009 C ALA A 61 4.504 5.462 1.665 1.00 0.00 C ATOM 1010 O ALA A 61 4.718 6.515 1.068 1.00 0.00 O ATOM 1011 CB ALA A 61 6.757 4.947 2.608 1.00 0.00 C ATOM 0 H ALA A 61 5.349 3.088 3.443 1.00 0.00 H new ATOM 0 HA ALA A 61 5.156 5.945 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.132 5.851 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.313 4.768 3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.886 4.099 1.935 1.00 0.00 H new ATOM 1017 N HIS A 62 3.593 4.585 1.267 1.00 0.00 N ATOM 1018 CA HIS A 62 2.811 4.793 0.053 1.00 0.00 C ATOM 1019 C HIS A 62 1.539 5.575 0.362 1.00 0.00 C ATOM 1020 O HIS A 62 0.536 5.450 -0.336 1.00 0.00 O ATOM 1021 CB HIS A 62 2.461 3.449 -0.594 1.00 0.00 C ATOM 1022 CG HIS A 62 3.648 2.734 -1.160 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.260 3.072 -2.355 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.358 1.693 -0.653 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.305 2.242 -2.528 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.395 1.398 -1.522 1.00 0.00 N ATOM 0 H HIS A 62 3.376 3.722 1.766 1.00 0.00 H new ATOM 0 HA HIS A 62 3.413 5.372 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.982 2.811 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.734 3.615 -1.389 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.971 3.816 -2.990 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.149 1.180 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.976 2.265 -3.374 1.00 0.00 H new ATOM 1034 N PHE A 63 1.589 6.378 1.417 1.00 0.00 N ATOM 1035 CA PHE A 63 0.442 7.169 1.836 1.00 0.00 C ATOM 1036 C PHE A 63 0.877 8.581 2.188 1.00 0.00 C ATOM 1037 O PHE A 63 2.029 8.801 2.564 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.238 6.535 3.054 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.883 5.217 2.763 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -0.149 4.045 2.834 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -2.219 5.147 2.409 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.734 2.831 2.557 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.809 3.934 2.129 1.00 0.00 C ATOM 1044 CZ PHE A 63 -2.065 2.774 2.204 1.00 0.00 C ATOM 0 H PHE A 63 2.417 6.498 2.000 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.266 7.200 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.501 6.401 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.992 7.222 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.894 4.084 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.805 6.052 2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.151 1.924 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.852 3.891 1.851 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.526 1.822 1.986 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.039 9.530 2.063 1.00 0.00 N ATOM 1055 CA GLU A 64 0.220 10.907 2.461 1.00 0.00 C ATOM 1056 C GLU A 64 0.424 10.987 3.968 1.00 0.00 C ATOM 1057 O GLU A 64 -0.531 10.913 4.743 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.934 11.814 2.036 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.698 12.516 0.710 1.00 0.00 C ATOM 1060 CD GLU A 64 0.219 13.715 0.837 1.00 0.00 C ATOM 1061 OE1 GLU A 64 1.336 13.564 1.374 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -0.171 14.813 0.388 1.00 0.00 O ATOM 0 H GLU A 64 -0.974 9.371 1.687 1.00 0.00 H new ATOM 0 HA GLU A 64 1.128 11.247 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.845 11.220 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.100 12.563 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.268 11.809 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.655 12.838 0.299 1.00 0.00 H new ATOM 1069 N GLY A 65 1.676 11.116 4.376 1.00 0.00 N ATOM 1070 CA GLY A 65 2.001 11.137 5.788 1.00 0.00 C ATOM 1071 C GLY A 65 2.282 9.750 6.332 1.00 0.00 C ATOM 1072 O GLY A 65 2.717 9.599 7.474 1.00 0.00 O ATOM 0 H GLY A 65 2.478 11.207 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.872 11.772 5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.175 11.582 6.343 1.00 0.00 H new ATOM 1076 N GLY A 66 2.036 8.739 5.509 1.00 0.00 N ATOM 1077 CA GLY A 66 2.277 7.365 5.911 1.00 0.00 C ATOM 1078 C GLY A 66 1.286 6.870 6.945 1.00 0.00 C ATOM 1079 O GLY A 66 1.654 6.621 8.094 1.00 0.00 O ATOM 0 H GLY A 66 1.671 8.847 4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.230 6.721 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.286 7.281 6.314 1.00 0.00 H new ATOM 1083 N GLU A 67 0.027 6.730 6.542 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.021 6.263 7.444 1.00 0.00 C ATOM 1085 C GLU A 67 -2.153 5.594 6.666 1.00 0.00 C ATOM 1086 O GLU A 67 -2.765 6.210 5.796 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.577 7.433 8.260 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.496 7.011 9.396 1.00 0.00 C ATOM 1089 CD GLU A 67 -1.763 6.274 10.498 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -0.740 6.795 10.992 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -2.212 5.172 10.883 1.00 0.00 O ATOM 0 H GLU A 67 -0.293 6.934 5.595 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.582 5.528 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.745 8.004 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.123 8.101 7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.979 7.894 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.286 6.373 9.001 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.416 4.331 6.973 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.525 3.613 6.359 1.00 0.00 C ATOM 1100 C LYS A 68 -4.714 3.556 7.305 1.00 0.00 C ATOM 1101 O LYS A 68 -4.724 2.771 8.255 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.109 2.194 5.967 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.250 1.363 5.390 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.155 -0.099 5.803 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.615 -0.312 7.239 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.982 0.229 7.488 1.00 0.00 N ATOM 0 H LYS A 68 -1.877 3.783 7.643 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.813 4.154 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.304 2.249 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.708 1.686 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.203 1.773 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.237 1.434 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.763 -0.706 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.125 -0.441 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.603 -1.378 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.909 0.167 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.449 -0.334 8.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.912 1.219 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.540 0.179 6.612 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.707 4.388 7.052 1.00 0.00 N ATOM 1121 CA LYS A 69 -6.949 4.335 7.806 1.00 0.00 C ATOM 1122 C LYS A 69 -7.952 3.473 7.047 1.00 0.00 C ATOM 1123 O LYS A 69 -7.560 2.622 6.243 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.512 5.743 8.035 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.548 6.692 8.732 1.00 0.00 C ATOM 1126 CD LYS A 69 -5.977 7.721 7.766 1.00 0.00 C ATOM 1127 CE LYS A 69 -6.943 8.873 7.532 1.00 0.00 C ATOM 1128 NZ LYS A 69 -7.489 8.867 6.150 1.00 0.00 N ATOM 0 H LYS A 69 -5.679 5.109 6.331 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.756 3.896 8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.794 6.171 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.423 5.666 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.064 7.203 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.734 6.121 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.038 8.109 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.748 7.239 6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.764 8.809 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.432 9.818 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.932 9.786 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.718 8.698 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.200 8.113 6.061 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.237 3.688 7.288 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.271 2.930 6.603 1.00 0.00 C ATOM 1144 C GLU A 70 -10.803 3.716 5.410 1.00 0.00 C ATOM 1145 O GLU A 70 -11.873 4.321 5.473 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.408 2.585 7.569 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.948 1.790 8.781 1.00 0.00 C ATOM 1148 CD GLU A 70 -10.205 0.527 8.396 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.858 -0.436 7.949 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -8.964 0.488 8.540 1.00 0.00 O ATOM 0 H GLU A 70 -9.587 4.379 7.951 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.836 2.000 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.881 3.507 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.168 2.014 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.302 2.415 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.813 1.528 9.390 1.00 0.00 H new ATOM 1157 N GLY A 71 -10.039 3.723 4.325 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.465 4.428 3.127 1.00 0.00 C ATOM 1159 C GLY A 71 -9.303 4.919 2.285 1.00 0.00 C ATOM 1160 O GLY A 71 -9.496 5.388 1.164 1.00 0.00 O ATOM 0 H GLY A 71 -9.135 3.256 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.089 3.767 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.084 5.278 3.413 1.00 0.00 H new ATOM 1164 N ASP A 72 -8.097 4.818 2.820 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.906 5.285 2.118 1.00 0.00 C ATOM 1166 C ASP A 72 -6.361 4.210 1.189 1.00 0.00 C ATOM 1167 O ASP A 72 -6.211 3.053 1.586 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.814 5.705 3.110 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.342 6.568 4.235 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -7.132 6.059 5.058 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.973 7.758 4.309 1.00 0.00 O ATOM 0 H ASP A 72 -7.914 4.416 3.740 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.198 6.150 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.349 4.813 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.035 6.249 2.576 1.00 0.00 H new ATOM 1176 N ILE A 73 -6.086 4.604 -0.045 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.458 3.734 -1.034 1.00 0.00 C ATOM 1178 C ILE A 73 -3.995 4.146 -1.196 1.00 0.00 C ATOM 1179 O ILE A 73 -3.683 5.331 -1.136 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.192 3.843 -2.398 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.665 3.465 -2.237 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.536 2.978 -3.464 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.613 4.482 -2.832 1.00 0.00 C ATOM 0 H ILE A 73 -6.292 5.540 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.518 2.700 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.123 4.879 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.838 2.498 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.889 3.347 -1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.080 3.083 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.503 3.296 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.555 1.935 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.641 4.152 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.467 5.445 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.415 4.583 -3.899 1.00 0.00 H new ATOM 1195 N PRO A 74 -3.069 3.195 -1.378 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.652 3.522 -1.523 1.00 0.00 C ATOM 1197 C PRO A 74 -1.367 4.230 -2.844 1.00 0.00 C ATOM 1198 O PRO A 74 -2.079 4.041 -3.829 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.963 2.159 -1.482 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.999 1.193 -1.943 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.318 1.746 -1.481 1.00 0.00 C ATOM 0 HA PRO A 74 -1.304 4.205 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.087 2.139 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.619 1.920 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.979 1.088 -3.028 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.823 0.203 -1.523 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.116 1.526 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.617 1.321 -0.523 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.341 5.058 -2.861 1.00 0.00 N ATOM 1210 CA VAL A 75 0.081 5.716 -4.084 1.00 0.00 C ATOM 1211 C VAL A 75 1.556 5.441 -4.333 1.00 0.00 C ATOM 1212 O VAL A 75 2.296 5.109 -3.404 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.172 7.241 -4.048 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.627 7.539 -4.368 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.216 7.830 -2.700 1.00 0.00 C ATOM 0 H VAL A 75 0.218 5.292 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.517 5.307 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 75 0.455 7.710 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.793 8.616 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.866 7.161 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.268 7.054 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.027 8.904 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.375 7.361 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.275 7.649 -2.515 1.00 0.00 H new ATOM 1225 N PRO A 76 1.999 5.548 -5.591 1.00 0.00 N ATOM 1226 CA PRO A 76 3.391 5.283 -5.953 1.00 0.00 C ATOM 1227 C PRO A 76 4.338 6.246 -5.247 1.00 0.00 C ATOM 1228 O PRO A 76 5.141 5.843 -4.403 1.00 0.00 O ATOM 1229 CB PRO A 76 3.426 5.484 -7.473 1.00 0.00 C ATOM 1230 CG PRO A 76 2.198 6.266 -7.805 1.00 0.00 C ATOM 1231 CD PRO A 76 1.179 5.944 -6.750 1.00 0.00 C ATOM 0 HA PRO A 76 3.716 4.286 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.325 6.020 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.434 4.527 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.413 7.334 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.827 6.000 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.551 6.805 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.515 5.140 -7.066 1.00 0.00 H new ATOM 1239 N ASP A 77 4.218 7.515 -5.589 1.00 0.00 N ATOM 1240 CA ASP A 77 4.949 8.571 -4.918 1.00 0.00 C ATOM 1241 C ASP A 77 3.962 9.617 -4.440 1.00 0.00 C ATOM 1242 O ASP A 77 3.381 10.339 -5.247 1.00 0.00 O ATOM 1243 CB ASP A 77 5.969 9.195 -5.870 1.00 0.00 C ATOM 1244 CG ASP A 77 7.033 9.997 -5.150 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.681 10.860 -4.325 1.00 0.00 O ATOM 1246 OD2 ASP A 77 8.231 9.782 -5.428 1.00 0.00 O ATOM 0 H ASP A 77 3.610 7.842 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 77 5.490 8.162 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.447 8.406 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.450 9.842 -6.577 1.00 0.00 H new ATOM 1251 N PRO A 78 3.740 9.704 -3.121 1.00 0.00 N ATOM 1252 CA PRO A 78 2.790 10.659 -2.536 1.00 0.00 C ATOM 1253 C PRO A 78 3.192 12.109 -2.794 1.00 0.00 C ATOM 1254 O PRO A 78 2.426 13.037 -2.527 1.00 0.00 O ATOM 1255 CB PRO A 78 2.843 10.357 -1.034 1.00 0.00 C ATOM 1256 CG PRO A 78 3.451 9.000 -0.928 1.00 0.00 C ATOM 1257 CD PRO A 78 4.389 8.877 -2.092 1.00 0.00 C ATOM 0 HA PRO A 78 1.796 10.551 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.441 11.099 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.846 10.377 -0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.983 8.883 0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.685 8.225 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.386 9.243 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.499 7.842 -2.415 1.00 0.00 H new ATOM 1265 N THR A 79 4.403 12.293 -3.296 1.00 0.00 N ATOM 1266 CA THR A 79 4.916 13.612 -3.601 1.00 0.00 C ATOM 1267 C THR A 79 5.005 13.828 -5.112 1.00 0.00 C ATOM 1268 O THR A 79 5.523 14.842 -5.578 1.00 0.00 O ATOM 1269 CB THR A 79 6.298 13.818 -2.958 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.797 12.568 -2.454 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.213 14.809 -1.816 1.00 0.00 C ATOM 0 H THR A 79 5.052 11.534 -3.501 1.00 0.00 H new ATOM 0 HA THR A 79 4.223 14.344 -3.187 1.00 0.00 H new ATOM 0 HB THR A 79 6.973 14.206 -3.721 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.120 12.020 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.201 14.941 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.853 15.767 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.524 14.434 -1.059 1.00 0.00 H new ATOM 1279 N VAL A 80 4.515 12.855 -5.873 1.00 0.00 N ATOM 1280 CA VAL A 80 4.498 12.949 -7.327 1.00 0.00 C ATOM 1281 C VAL A 80 3.086 12.704 -7.862 1.00 0.00 C ATOM 1282 O VAL A 80 2.587 13.461 -8.697 1.00 0.00 O ATOM 1283 CB VAL A 80 5.484 11.946 -7.972 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.173 11.729 -9.446 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.920 12.416 -7.803 1.00 0.00 C ATOM 0 H VAL A 80 4.123 11.989 -5.504 1.00 0.00 H new ATOM 0 HA VAL A 80 4.815 13.957 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 80 5.364 10.993 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.885 11.019 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.162 11.335 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.249 12.678 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.595 11.695 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.044 13.387 -8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.152 12.503 -6.741 1.00 0.00 H new ATOM 1295 N ASP A 81 2.445 11.650 -7.376 1.00 0.00 N ATOM 1296 CA ASP A 81 1.099 11.312 -7.814 1.00 0.00 C ATOM 1297 C ASP A 81 0.069 11.834 -6.825 1.00 0.00 C ATOM 1298 O ASP A 81 0.414 12.304 -5.739 1.00 0.00 O ATOM 1299 CB ASP A 81 0.939 9.797 -7.974 1.00 0.00 C ATOM 1300 CG ASP A 81 0.037 9.438 -9.141 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.169 9.771 -9.103 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.532 8.841 -10.118 1.00 0.00 O ATOM 0 H ASP A 81 2.835 11.015 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 81 0.936 11.785 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.919 9.343 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.528 9.377 -7.056 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.194 11.730 -7.197 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.279 12.204 -6.360 1.00 0.00 C ATOM 1309 C LYS A 82 -2.813 11.072 -5.498 1.00 0.00 C ATOM 1310 O LYS A 82 -3.439 10.139 -6.007 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.403 12.794 -7.216 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.164 14.235 -7.638 1.00 0.00 C ATOM 1313 CD LYS A 82 -2.680 14.321 -9.076 1.00 0.00 C ATOM 1314 CE LYS A 82 -3.776 13.943 -10.057 1.00 0.00 C ATOM 1315 NZ LYS A 82 -3.227 13.536 -11.377 1.00 0.00 N ATOM 0 H LYS A 82 -1.494 11.318 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.893 12.989 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.527 12.180 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.338 12.739 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.087 14.805 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.427 14.691 -6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.337 15.334 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.824 13.660 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.367 13.126 -9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.451 14.789 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.009 13.286 -12.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.684 14.324 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.603 12.713 -11.255 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.499 11.150 -4.207 1.00 0.00 N ATOM 1330 CA GLN A 83 -3.019 10.238 -3.188 1.00 0.00 C ATOM 1331 C GLN A 83 -4.458 9.812 -3.483 1.00 0.00 C ATOM 1332 O GLN A 83 -5.378 10.635 -3.461 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.939 10.915 -1.814 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.760 10.232 -0.728 1.00 0.00 C ATOM 1335 CD GLN A 83 -3.117 8.957 -0.227 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.991 8.966 0.262 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.829 7.856 -0.346 1.00 0.00 N ATOM 0 H GLN A 83 -1.867 11.858 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.407 9.336 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.896 10.947 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.274 11.948 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.894 10.919 0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.753 10.005 -1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.761 7.894 -0.759 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.449 6.965 -0.026 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.637 8.530 -3.781 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.958 7.984 -4.021 1.00 0.00 C ATOM 1348 C ILE A 84 -6.606 7.619 -2.695 1.00 0.00 C ATOM 1349 O ILE A 84 -6.062 6.831 -1.928 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.945 6.726 -4.929 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.910 6.843 -6.051 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.327 6.490 -5.520 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -3.984 5.650 -6.132 1.00 0.00 C ATOM 0 H ILE A 84 -3.879 7.852 -3.861 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.524 8.757 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.666 5.876 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.427 6.959 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.318 7.745 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.305 5.604 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.046 6.341 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.621 7.355 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.275 5.795 -6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.441 5.546 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.568 4.748 -6.315 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.738 8.223 -2.397 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.469 7.880 -1.191 1.00 0.00 C ATOM 1367 C LYS A 85 -9.962 7.852 -1.477 1.00 0.00 C ATOM 1368 O LYS A 85 -10.439 8.541 -2.378 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.145 8.862 -0.056 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.930 10.160 -0.113 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.009 11.358 -0.253 1.00 0.00 C ATOM 1372 CE LYS A 85 -8.784 12.661 -0.182 1.00 0.00 C ATOM 1373 NZ LYS A 85 -9.776 12.773 -1.283 1.00 0.00 N ATOM 0 H LYS A 85 -8.171 8.949 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.159 6.886 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.341 8.374 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.080 9.093 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.623 10.131 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.530 10.264 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.258 11.336 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.476 11.301 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.297 12.727 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.090 13.500 -0.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.898 13.773 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.438 12.242 -2.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.688 12.382 -0.970 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.686 7.042 -0.727 1.00 0.00 N ATOM 1388 CA ILE A 86 -12.132 6.988 -0.853 1.00 0.00 C ATOM 1389 C ILE A 86 -12.769 7.872 0.203 1.00 0.00 C ATOM 1390 O ILE A 86 -12.390 7.822 1.375 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.676 5.551 -0.701 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.856 4.571 -1.540 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -14.144 5.495 -1.099 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.483 3.306 -0.801 1.00 0.00 C ATOM 0 H ILE A 86 -10.298 6.413 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.385 7.341 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.589 5.260 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.423 4.307 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.946 5.067 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.513 4.476 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.720 6.162 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -14.251 5.807 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.903 2.658 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.888 3.559 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.389 2.787 -0.488 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.723 8.691 -0.210 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.422 9.549 0.730 1.00 0.00 C ATOM 1408 C GLU A 87 -15.399 8.714 1.539 1.00 0.00 C ATOM 1409 O GLU A 87 -16.468 8.356 1.049 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.184 10.672 0.013 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.449 11.284 -1.171 1.00 0.00 C ATOM 1412 CD GLU A 87 -13.107 11.878 -0.799 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.052 12.707 0.131 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -12.100 11.527 -1.452 1.00 0.00 O ATOM 0 H GLU A 87 -14.028 8.779 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.682 10.009 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.140 10.280 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.405 11.460 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.301 10.519 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.072 12.060 -1.615 1.00 0.00 H new