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 32 LYS NZ :NH3+ 150:sc= 0.669 (180deg=0) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0.559 USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 THR OG1 : rot -140:sc= 0.527 USER MOD Set 3.1: A 7 CYS SG : rot 114:sc= -3.09! USER MOD Set 3.2: A 12 CYS SG : rot 89:sc= -0.478! USER MOD Set 3.3: A 59 CYS SG : rot -33:sc= 1.4 USER MOD Set 3.4: A 62 HIS : no HE2:sc= -2.85! X(o=-5!,f=-5.4) USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.499 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -140:sc= 1.28 (180deg=1.04) USER MOD Single : A 26 HIS : no HD1:sc= 0.0452 K(o=0.045,f=-2.8!) USER MOD Single : A 28 TYR OH : rot 151:sc= 1.2 USER MOD Single : A 39 GLN : amide:sc= 0.311 K(o=0.31,f=-5!) USER MOD Single : A 43 THR OG1 : rot 110:sc= 0.501 USER MOD Single : A 55 GLN : amide:sc= 1 K(o=1,f=-0.0045) USER MOD Single : A 60 SER OG : rot -99:sc= -1.91! USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 1.3 (180deg=0.983) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.59 K(o=-1.6,f=-10!) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0.977) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 9.551 -7.723 0.696 1.00 0.00 N ATOM 67 CA THR A 6 9.436 -7.408 -0.711 1.00 0.00 C ATOM 68 C THR A 6 8.120 -6.690 -0.980 1.00 0.00 C ATOM 69 O THR A 6 7.044 -7.288 -0.891 1.00 0.00 O ATOM 70 CB THR A 6 9.520 -8.676 -1.584 1.00 0.00 C ATOM 71 OG1 THR A 6 10.373 -9.651 -0.959 1.00 0.00 O ATOM 72 CG2 THR A 6 10.055 -8.342 -2.968 1.00 0.00 C ATOM 0 HA THR A 6 10.270 -6.758 -0.974 1.00 0.00 H new ATOM 0 HB THR A 6 8.516 -9.087 -1.686 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.359 -9.523 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.106 -9.251 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.391 -7.625 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.052 -7.910 -2.878 1.00 0.00 H new ATOM 80 N CYS A 7 8.216 -5.397 -1.267 1.00 0.00 N ATOM 81 CA CYS A 7 7.048 -4.584 -1.566 1.00 0.00 C ATOM 82 C CYS A 7 6.281 -5.155 -2.752 1.00 0.00 C ATOM 83 O CYS A 7 6.875 -5.612 -3.731 1.00 0.00 O ATOM 84 CB CYS A 7 7.477 -3.147 -1.866 1.00 0.00 C ATOM 85 SG CYS A 7 6.103 -1.961 -2.013 1.00 0.00 S ATOM 0 H CYS A 7 9.099 -4.888 -1.298 1.00 0.00 H new ATOM 0 HA CYS A 7 6.391 -4.590 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.148 -2.810 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.048 -3.138 -2.794 1.00 0.00 H new ATOM 0 HG CYS A 7 6.168 -1.099 -1.042 1.00 0.00 H new ATOM 90 N GLY A 8 4.964 -5.113 -2.658 1.00 0.00 N ATOM 91 CA GLY A 8 4.128 -5.618 -3.725 1.00 0.00 C ATOM 92 C GLY A 8 3.916 -4.594 -4.819 1.00 0.00 C ATOM 93 O GLY A 8 3.225 -4.858 -5.805 1.00 0.00 O ATOM 0 H GLY A 8 4.456 -4.736 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.585 -6.512 -4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.162 -5.917 -3.317 1.00 0.00 H new ATOM 97 N PHE A 9 4.506 -3.422 -4.641 1.00 0.00 N ATOM 98 CA PHE A 9 4.400 -2.358 -5.626 1.00 0.00 C ATOM 99 C PHE A 9 5.165 -2.716 -6.895 1.00 0.00 C ATOM 100 O PHE A 9 6.209 -3.374 -6.832 1.00 0.00 O ATOM 101 CB PHE A 9 4.929 -1.045 -5.049 1.00 0.00 C ATOM 102 CG PHE A 9 3.931 0.068 -5.122 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.768 0.015 -4.376 1.00 0.00 C ATOM 104 CD2 PHE A 9 4.145 1.155 -5.949 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.834 1.029 -4.448 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.217 2.171 -6.030 1.00 0.00 C ATOM 107 CZ PHE A 9 2.060 2.110 -5.280 1.00 0.00 C ATOM 0 H PHE A 9 5.064 -3.184 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 9 3.347 -2.235 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.216 -1.201 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.830 -0.754 -5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.588 -0.831 -3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.049 1.209 -6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.931 0.978 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.395 3.015 -6.680 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.332 2.905 -5.343 1.00 0.00 H new ATOM 117 N PRO A 10 4.650 -2.296 -8.065 1.00 0.00 N ATOM 118 CA PRO A 10 5.288 -2.563 -9.358 1.00 0.00 C ATOM 119 C PRO A 10 6.679 -1.961 -9.449 1.00 0.00 C ATOM 120 O PRO A 10 7.553 -2.481 -10.143 1.00 0.00 O ATOM 121 CB PRO A 10 4.354 -1.907 -10.381 1.00 0.00 C ATOM 122 CG PRO A 10 3.520 -0.953 -9.597 1.00 0.00 C ATOM 123 CD PRO A 10 3.391 -1.549 -8.224 1.00 0.00 C ATOM 0 HA PRO A 10 5.424 -3.632 -9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.920 -1.390 -11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.735 -2.651 -10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.988 0.030 -9.553 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.541 -0.820 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.279 -0.780 -7.460 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.522 -2.203 -8.148 1.00 0.00 H new ATOM 131 N ASN A 11 6.873 -0.870 -8.737 1.00 0.00 N ATOM 132 CA ASN A 11 8.158 -0.182 -8.710 1.00 0.00 C ATOM 133 C ASN A 11 8.269 0.687 -7.465 1.00 0.00 C ATOM 134 O ASN A 11 7.989 1.885 -7.504 1.00 0.00 O ATOM 135 CB ASN A 11 8.343 0.680 -9.965 1.00 0.00 C ATOM 136 CG ASN A 11 9.806 0.828 -10.344 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.292 0.157 -11.258 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.514 1.714 -9.660 1.00 0.00 N ATOM 0 H ASN A 11 6.152 -0.433 -8.162 1.00 0.00 H new ATOM 0 HA ASN A 11 8.944 -0.937 -8.688 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.797 0.233 -10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.911 1.666 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.499 1.861 -9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.075 2.249 -8.911 1.00 0.00 H new ATOM 145 N CYS A 12 8.668 0.076 -6.361 1.00 0.00 N ATOM 146 CA CYS A 12 8.794 0.791 -5.106 1.00 0.00 C ATOM 147 C CYS A 12 10.122 1.530 -5.039 1.00 0.00 C ATOM 148 O CYS A 12 11.189 0.917 -5.034 1.00 0.00 O ATOM 149 CB CYS A 12 8.680 -0.173 -3.928 1.00 0.00 C ATOM 150 SG CYS A 12 8.780 0.621 -2.294 1.00 0.00 S ATOM 0 H CYS A 12 8.910 -0.914 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 12 7.984 1.518 -5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.733 -0.707 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.472 -0.918 -4.006 1.00 0.00 H new ATOM 0 HG CYS A 12 7.589 0.972 -1.908 1.00 0.00 H new ATOM 155 N LYS A 13 10.046 2.849 -4.995 1.00 0.00 N ATOM 156 CA LYS A 13 11.232 3.674 -4.832 1.00 0.00 C ATOM 157 C LYS A 13 11.527 3.891 -3.352 1.00 0.00 C ATOM 158 O LYS A 13 12.434 4.638 -2.992 1.00 0.00 O ATOM 159 CB LYS A 13 11.049 5.023 -5.540 1.00 0.00 C ATOM 160 CG LYS A 13 9.745 5.732 -5.203 1.00 0.00 C ATOM 161 CD LYS A 13 9.965 7.217 -4.949 1.00 0.00 C ATOM 162 CE LYS A 13 10.454 7.932 -6.201 1.00 0.00 C ATOM 163 NZ LYS A 13 10.058 9.365 -6.214 1.00 0.00 N ATOM 0 H LYS A 13 9.174 3.373 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 13 12.078 3.156 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.882 5.675 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.096 4.865 -6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.038 5.603 -6.022 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.298 5.273 -4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.034 7.671 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.693 7.346 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.540 7.855 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.049 7.436 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.770 9.637 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.262 9.511 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.864 9.951 -5.915 1.00 0.00 H new ATOM 177 N PHE A 14 10.763 3.224 -2.492 1.00 0.00 N ATOM 178 CA PHE A 14 10.902 3.409 -1.057 1.00 0.00 C ATOM 179 C PHE A 14 11.792 2.332 -0.449 1.00 0.00 C ATOM 180 O PHE A 14 12.504 2.583 0.520 1.00 0.00 O ATOM 181 CB PHE A 14 9.531 3.420 -0.384 1.00 0.00 C ATOM 182 CG PHE A 14 8.723 4.644 -0.721 1.00 0.00 C ATOM 183 CD1 PHE A 14 9.199 5.913 -0.420 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.491 4.528 -1.341 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.462 7.039 -0.731 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.748 5.651 -1.656 1.00 0.00 C ATOM 187 CZ PHE A 14 7.234 6.907 -1.349 1.00 0.00 C ATOM 0 H PHE A 14 10.045 2.554 -2.766 1.00 0.00 H new ATOM 0 HA PHE A 14 11.379 4.374 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.977 2.531 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.662 3.363 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.158 6.021 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.105 3.548 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.845 8.020 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.789 5.546 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.654 7.785 -1.592 1.00 0.00 H new ATOM 197 N ARG A 15 11.754 1.132 -1.012 1.00 0.00 N ATOM 198 CA ARG A 15 12.676 0.087 -0.590 1.00 0.00 C ATOM 199 C ARG A 15 14.061 0.359 -1.169 1.00 0.00 C ATOM 200 O ARG A 15 15.076 0.182 -0.493 1.00 0.00 O ATOM 201 CB ARG A 15 12.179 -1.302 -1.007 1.00 0.00 C ATOM 202 CG ARG A 15 12.015 -1.481 -2.506 1.00 0.00 C ATOM 203 CD ARG A 15 11.691 -2.921 -2.864 1.00 0.00 C ATOM 204 NE ARG A 15 10.316 -3.070 -3.334 1.00 0.00 N ATOM 205 CZ ARG A 15 9.970 -3.205 -4.615 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.893 -3.198 -5.566 1.00 0.00 N ATOM 207 NH2 ARG A 15 8.692 -3.337 -4.945 1.00 0.00 N ATOM 0 H ARG A 15 11.105 0.860 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 15 12.733 0.099 0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.879 -2.052 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.221 -1.493 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.220 -0.828 -2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.931 -1.177 -3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.378 -3.266 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.847 -3.556 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 15 9.572 -3.071 -2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.877 -3.089 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.619 -3.302 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.975 -3.335 -4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.426 -3.440 -5.924 1.00 0.00 H new ATOM 368 N ARG A 25 10.766 1.510 7.582 1.00 0.00 N ATOM 369 CA ARG A 25 9.421 2.051 7.468 1.00 0.00 C ATOM 370 C ARG A 25 8.446 1.144 8.207 1.00 0.00 C ATOM 371 O ARG A 25 8.611 0.872 9.393 1.00 0.00 O ATOM 372 CB ARG A 25 9.004 2.184 5.992 1.00 0.00 C ATOM 373 CG ARG A 25 9.854 3.150 5.186 1.00 0.00 C ATOM 374 CD ARG A 25 10.008 2.691 3.742 1.00 0.00 C ATOM 375 NE ARG A 25 11.152 1.797 3.581 1.00 0.00 N ATOM 376 CZ ARG A 25 11.063 0.519 3.205 1.00 0.00 C ATOM 377 NH1 ARG A 25 9.901 0.011 2.811 1.00 0.00 N ATOM 378 NH2 ARG A 25 12.151 -0.240 3.183 1.00 0.00 N ATOM 0 HA ARG A 25 9.405 3.045 7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.050 1.201 5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.965 2.510 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.399 4.140 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.838 3.241 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.099 2.181 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.130 3.559 3.095 1.00 0.00 H new ATOM 0 HE ARG A 25 12.081 2.174 3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.067 0.598 2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.842 -0.966 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.053 0.153 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.086 -1.217 2.896 1.00 0.00 H new ATOM 392 N HIS A 26 7.444 0.682 7.490 1.00 0.00 N ATOM 393 CA HIS A 26 6.472 -0.263 8.004 1.00 0.00 C ATOM 394 C HIS A 26 5.758 -0.878 6.818 1.00 0.00 C ATOM 395 O HIS A 26 5.633 -0.232 5.774 1.00 0.00 O ATOM 396 CB HIS A 26 5.469 0.426 8.941 1.00 0.00 C ATOM 397 CG HIS A 26 4.841 -0.490 9.952 1.00 0.00 C ATOM 398 ND1 HIS A 26 5.042 -1.853 9.925 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.018 -0.189 10.986 1.00 0.00 C ATOM 400 CE1 HIS A 26 4.344 -2.341 10.938 1.00 0.00 C ATOM 401 NE2 HIS A 26 3.708 -1.372 11.608 1.00 0.00 N ATOM 0 H HIS A 26 7.278 0.955 6.521 1.00 0.00 H new ATOM 0 HA HIS A 26 6.975 -1.033 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.976 1.235 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.681 0.881 8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.672 0.795 11.267 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.294 -3.389 11.192 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.108 -1.490 12.424 1.00 0.00 H new ATOM 409 N PHE A 27 5.320 -2.114 6.953 1.00 0.00 N ATOM 410 CA PHE A 27 4.673 -2.801 5.852 1.00 0.00 C ATOM 411 C PHE A 27 3.266 -3.211 6.233 1.00 0.00 C ATOM 412 O PHE A 27 3.055 -3.960 7.189 1.00 0.00 O ATOM 413 CB PHE A 27 5.491 -4.014 5.415 1.00 0.00 C ATOM 414 CG PHE A 27 6.452 -3.697 4.308 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.718 -3.221 4.593 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.084 -3.863 2.983 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.602 -2.920 3.579 1.00 0.00 C ATOM 418 CE2 PHE A 27 6.967 -3.566 1.963 1.00 0.00 C ATOM 419 CZ PHE A 27 8.227 -3.091 2.263 1.00 0.00 C ATOM 0 H PHE A 27 5.399 -2.662 7.810 1.00 0.00 H new ATOM 0 HA PHE A 27 4.612 -2.113 5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.044 -4.401 6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.815 -4.804 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.018 -3.083 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.096 -4.229 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.589 -2.550 3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.672 -3.705 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.919 -2.853 1.468 1.00 0.00 H new ATOM 429 N TYR A 28 2.309 -2.705 5.483 1.00 0.00 N ATOM 430 CA TYR A 28 0.909 -2.973 5.741 1.00 0.00 C ATOM 431 C TYR A 28 0.450 -4.199 4.968 1.00 0.00 C ATOM 432 O TYR A 28 0.889 -4.434 3.837 1.00 0.00 O ATOM 433 CB TYR A 28 0.056 -1.767 5.342 1.00 0.00 C ATOM 434 CG TYR A 28 0.091 -0.626 6.335 1.00 0.00 C ATOM 435 CD1 TYR A 28 0.310 -0.856 7.688 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.103 0.681 5.915 1.00 0.00 C ATOM 437 CE1 TYR A 28 0.334 0.187 8.592 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.082 1.730 6.812 1.00 0.00 C ATOM 439 CZ TYR A 28 0.136 1.478 8.148 1.00 0.00 C ATOM 440 OH TYR A 28 0.152 2.519 9.047 1.00 0.00 O ATOM 0 H TYR A 28 2.478 -2.099 4.680 1.00 0.00 H new ATOM 0 HA TYR A 28 0.788 -3.161 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.395 -1.401 4.373 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.977 -2.092 5.216 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.464 -1.866 8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.274 0.882 4.868 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.507 -0.007 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.236 2.742 6.468 1.00 0.00 H new ATOM 0 HH TYR A 28 0.456 3.335 8.597 1.00 0.00 H new ATOM 450 N ARG A 29 -0.413 -4.987 5.587 1.00 0.00 N ATOM 451 CA ARG A 29 -1.060 -6.091 4.894 1.00 0.00 C ATOM 452 C ARG A 29 -2.257 -5.545 4.131 1.00 0.00 C ATOM 453 O ARG A 29 -2.878 -4.577 4.572 1.00 0.00 O ATOM 454 CB ARG A 29 -1.511 -7.195 5.863 1.00 0.00 C ATOM 455 CG ARG A 29 -1.056 -6.995 7.301 1.00 0.00 C ATOM 456 CD ARG A 29 0.352 -7.522 7.521 1.00 0.00 C ATOM 457 NE ARG A 29 0.346 -8.858 8.113 1.00 0.00 N ATOM 458 CZ ARG A 29 1.402 -9.669 8.144 1.00 0.00 C ATOM 459 NH1 ARG A 29 2.580 -9.256 7.688 1.00 0.00 N ATOM 460 NH2 ARG A 29 1.290 -10.886 8.660 1.00 0.00 N ATOM 0 H ARG A 29 -0.682 -4.884 6.565 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.341 -6.542 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.599 -7.255 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.132 -8.152 5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.091 -5.934 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.745 -7.504 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.883 -7.549 6.569 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.898 -6.839 8.171 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.523 -9.191 8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.679 -8.313 7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.385 -9.882 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.395 -11.201 9.033 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.099 -11.506 8.683 1.00 0.00 H new ATOM 474 N ILE A 30 -2.562 -6.148 2.990 1.00 0.00 N ATOM 475 CA ILE A 30 -3.652 -5.680 2.142 1.00 0.00 C ATOM 476 C ILE A 30 -4.989 -5.722 2.881 1.00 0.00 C ATOM 477 O ILE A 30 -5.469 -6.793 3.259 1.00 0.00 O ATOM 478 CB ILE A 30 -3.752 -6.515 0.848 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.367 -6.653 0.201 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.745 -5.887 -0.122 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.760 -5.336 -0.243 1.00 0.00 C ATOM 0 H ILE A 30 -2.069 -6.965 2.629 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.429 -4.646 1.879 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.116 -7.511 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.692 -7.132 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.444 -7.315 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.801 -6.491 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.729 -5.840 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.417 -4.880 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.783 -5.518 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.412 -4.864 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.648 -4.678 0.619 1.00 0.00 H new ATOM 493 N PRO A 31 -5.587 -4.541 3.114 1.00 0.00 N ATOM 494 CA PRO A 31 -6.863 -4.404 3.822 1.00 0.00 C ATOM 495 C PRO A 31 -8.020 -5.042 3.072 1.00 0.00 C ATOM 496 O PRO A 31 -8.708 -4.389 2.295 1.00 0.00 O ATOM 497 CB PRO A 31 -7.060 -2.886 3.917 1.00 0.00 C ATOM 498 CG PRO A 31 -5.697 -2.327 3.733 1.00 0.00 C ATOM 499 CD PRO A 31 -5.051 -3.230 2.729 1.00 0.00 C ATOM 0 HA PRO A 31 -6.842 -4.907 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.745 -2.525 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.481 -2.599 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.735 -1.298 3.374 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.143 -2.317 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.319 -2.963 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.963 -3.199 2.792 1.00 0.00 H new ATOM 507 N LYS A 32 -8.239 -6.319 3.340 1.00 0.00 N ATOM 508 CA LYS A 32 -9.320 -7.082 2.717 1.00 0.00 C ATOM 509 C LYS A 32 -10.655 -6.785 3.400 1.00 0.00 C ATOM 510 O LYS A 32 -11.624 -7.532 3.254 1.00 0.00 O ATOM 511 CB LYS A 32 -9.015 -8.584 2.794 1.00 0.00 C ATOM 512 CG LYS A 32 -8.233 -8.988 4.039 1.00 0.00 C ATOM 513 CD LYS A 32 -7.903 -10.472 4.036 1.00 0.00 C ATOM 514 CE LYS A 32 -6.436 -10.726 4.351 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.943 -11.987 3.735 1.00 0.00 N ATOM 0 H LYS A 32 -7.675 -6.860 3.995 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.393 -6.784 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.953 -9.138 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.449 -8.877 1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.311 -8.410 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.814 -8.746 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.526 -10.984 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.144 -10.896 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.838 -9.889 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.300 -10.773 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.930 -11.895 3.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.087 -12.776 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.468 -12.172 2.856 1.00 0.00 H new ATOM 529 N ARG A 33 -10.693 -5.685 4.138 1.00 0.00 N ATOM 530 CA ARG A 33 -11.876 -5.284 4.880 1.00 0.00 C ATOM 531 C ARG A 33 -11.970 -3.764 4.921 1.00 0.00 C ATOM 532 O ARG A 33 -11.143 -3.103 5.552 1.00 0.00 O ATOM 533 CB ARG A 33 -11.829 -5.842 6.308 1.00 0.00 C ATOM 534 CG ARG A 33 -12.977 -6.779 6.640 1.00 0.00 C ATOM 535 CD ARG A 33 -13.143 -6.948 8.145 1.00 0.00 C ATOM 536 NE ARG A 33 -12.140 -7.852 8.712 1.00 0.00 N ATOM 537 CZ ARG A 33 -11.399 -7.567 9.782 1.00 0.00 C ATOM 538 NH1 ARG A 33 -11.603 -6.440 10.454 1.00 0.00 N ATOM 539 NH2 ARG A 33 -10.473 -8.426 10.198 1.00 0.00 N ATOM 0 H ARG A 33 -9.904 -5.046 4.238 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.756 -5.686 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.887 -6.372 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.836 -5.011 7.013 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.901 -6.390 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.799 -7.751 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.068 -5.974 8.629 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.140 -7.334 8.358 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.000 -8.756 8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.328 -5.790 10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.034 -6.224 11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.330 -9.303 9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.906 -8.207 11.017 1.00 0.00 H new ATOM 553 N PRO A 34 -12.967 -3.184 4.237 1.00 0.00 N ATOM 554 CA PRO A 34 -13.939 -3.939 3.441 1.00 0.00 C ATOM 555 C PRO A 34 -13.402 -4.343 2.063 1.00 0.00 C ATOM 556 O PRO A 34 -12.313 -3.928 1.655 1.00 0.00 O ATOM 557 CB PRO A 34 -15.091 -2.950 3.298 1.00 0.00 C ATOM 558 CG PRO A 34 -14.433 -1.614 3.298 1.00 0.00 C ATOM 559 CD PRO A 34 -13.243 -1.737 4.211 1.00 0.00 C ATOM 0 HA PRO A 34 -14.210 -4.884 3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.648 -3.119 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.800 -3.044 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.125 -1.331 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.117 -0.842 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.389 -1.174 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.462 -1.354 5.208 1.00 0.00 H new ATOM 567 N LEU A 35 -14.186 -5.146 1.353 1.00 0.00 N ATOM 568 CA LEU A 35 -13.796 -5.679 0.050 1.00 0.00 C ATOM 569 C LEU A 35 -13.572 -4.571 -0.979 1.00 0.00 C ATOM 570 O LEU A 35 -12.626 -4.635 -1.769 1.00 0.00 O ATOM 571 CB LEU A 35 -14.872 -6.644 -0.460 1.00 0.00 C ATOM 572 CG LEU A 35 -14.505 -8.134 -0.442 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.491 -8.689 -1.855 1.00 0.00 C ATOM 574 CD2 LEU A 35 -13.161 -8.369 0.233 1.00 0.00 C ATOM 0 H LEU A 35 -15.110 -5.447 1.663 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.852 -6.207 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.771 -6.505 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.126 -6.365 -1.483 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.264 -8.658 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.229 -9.747 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.478 -8.571 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.756 -8.148 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.933 -9.435 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.383 -7.829 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.203 -8.012 1.262 1.00 0.00 H new ATOM 586 N ILE A 36 -14.437 -3.563 -0.966 1.00 0.00 N ATOM 587 CA ILE A 36 -14.347 -2.461 -1.919 1.00 0.00 C ATOM 588 C ILE A 36 -13.055 -1.666 -1.715 1.00 0.00 C ATOM 589 O ILE A 36 -12.415 -1.246 -2.679 1.00 0.00 O ATOM 590 CB ILE A 36 -15.576 -1.522 -1.819 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.827 -2.229 -2.358 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.339 -0.217 -2.572 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.648 -2.816 -3.745 1.00 0.00 C ATOM 0 H ILE A 36 -15.210 -3.485 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.335 -2.896 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.730 -1.278 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.108 -3.026 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.654 -1.519 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.219 0.420 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.476 0.296 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.152 -0.433 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.574 -3.299 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.398 -2.021 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.843 -3.551 -3.728 1.00 0.00 H new ATOM 605 N LEU A 37 -12.662 -1.489 -0.460 1.00 0.00 N ATOM 606 CA LEU A 37 -11.424 -0.788 -0.142 1.00 0.00 C ATOM 607 C LEU A 37 -10.233 -1.552 -0.710 1.00 0.00 C ATOM 608 O LEU A 37 -9.368 -0.981 -1.370 1.00 0.00 O ATOM 609 CB LEU A 37 -11.281 -0.621 1.374 1.00 0.00 C ATOM 610 CG LEU A 37 -9.860 -0.352 1.869 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.530 1.126 1.780 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.688 -0.849 3.293 1.00 0.00 C ATOM 0 H LEU A 37 -13.181 -1.820 0.353 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.453 0.203 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.922 0.200 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.653 -1.523 1.859 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.168 -0.896 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.514 1.294 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.609 1.455 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.229 1.693 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.670 -0.649 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.393 -0.334 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.877 -1.922 3.329 1.00 0.00 H new ATOM 624 N ARG A 38 -10.224 -2.857 -0.467 1.00 0.00 N ATOM 625 CA ARG A 38 -9.190 -3.739 -0.996 1.00 0.00 C ATOM 626 C ARG A 38 -9.188 -3.708 -2.522 1.00 0.00 C ATOM 627 O ARG A 38 -8.134 -3.770 -3.152 1.00 0.00 O ATOM 628 CB ARG A 38 -9.426 -5.162 -0.476 1.00 0.00 C ATOM 629 CG ARG A 38 -8.962 -6.269 -1.408 1.00 0.00 C ATOM 630 CD ARG A 38 -9.985 -7.386 -1.473 1.00 0.00 C ATOM 631 NE ARG A 38 -10.962 -7.168 -2.542 1.00 0.00 N ATOM 632 CZ ARG A 38 -11.399 -8.126 -3.362 1.00 0.00 C ATOM 633 NH1 ARG A 38 -10.980 -9.375 -3.212 1.00 0.00 N ATOM 634 NH2 ARG A 38 -12.271 -7.833 -4.320 1.00 0.00 N ATOM 0 H ARG A 38 -10.928 -3.332 0.098 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.212 -3.395 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.914 -5.273 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.491 -5.291 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.796 -5.864 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.007 -6.665 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.476 -8.336 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.503 -7.460 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.331 -6.226 -2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.322 -9.606 -2.468 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.316 -10.105 -3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.607 -6.876 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.605 -8.565 -4.947 1.00 0.00 H new ATOM 648 N GLN A 39 -10.377 -3.597 -3.104 1.00 0.00 N ATOM 649 CA GLN A 39 -10.529 -3.536 -4.551 1.00 0.00 C ATOM 650 C GLN A 39 -9.865 -2.287 -5.117 1.00 0.00 C ATOM 651 O GLN A 39 -9.233 -2.329 -6.172 1.00 0.00 O ATOM 652 CB GLN A 39 -12.010 -3.540 -4.920 1.00 0.00 C ATOM 653 CG GLN A 39 -12.300 -4.113 -6.290 1.00 0.00 C ATOM 654 CD GLN A 39 -13.649 -4.797 -6.349 1.00 0.00 C ATOM 655 OE1 GLN A 39 -13.831 -5.883 -5.797 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.604 -4.164 -7.007 1.00 0.00 N ATOM 0 H GLN A 39 -11.256 -3.547 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.043 -4.412 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.559 -4.114 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.388 -2.518 -4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.267 -3.314 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.520 -4.827 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.409 -3.266 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.536 -4.573 -7.072 1.00 0.00 H new ATOM 665 N ARG A 40 -10.021 -1.172 -4.416 1.00 0.00 N ATOM 666 CA ARG A 40 -9.445 0.091 -4.856 1.00 0.00 C ATOM 667 C ARG A 40 -7.937 0.107 -4.624 1.00 0.00 C ATOM 668 O ARG A 40 -7.194 0.773 -5.345 1.00 0.00 O ATOM 669 CB ARG A 40 -10.116 1.266 -4.138 1.00 0.00 C ATOM 670 CG ARG A 40 -11.536 1.538 -4.612 1.00 0.00 C ATOM 671 CD ARG A 40 -11.581 2.628 -5.675 1.00 0.00 C ATOM 672 NE ARG A 40 -10.892 2.227 -6.899 1.00 0.00 N ATOM 673 CZ ARG A 40 -10.584 3.060 -7.891 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.941 4.335 -7.830 1.00 0.00 N ATOM 675 NH2 ARG A 40 -9.918 2.610 -8.944 1.00 0.00 N ATOM 0 H ARG A 40 -10.542 -1.117 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.624 0.195 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.132 1.065 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.514 2.163 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.966 0.621 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.152 1.834 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.619 2.867 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.124 3.536 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.630 1.246 -7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.454 4.683 -7.020 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.702 4.969 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.643 1.629 -8.993 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.680 3.245 -9.706 1.00 0.00 H new ATOM 689 N TRP A 41 -7.493 -0.642 -3.620 1.00 0.00 N ATOM 690 CA TRP A 41 -6.071 -0.790 -3.325 1.00 0.00 C ATOM 691 C TRP A 41 -5.336 -1.382 -4.523 1.00 0.00 C ATOM 692 O TRP A 41 -4.228 -0.959 -4.852 1.00 0.00 O ATOM 693 CB TRP A 41 -5.884 -1.688 -2.100 1.00 0.00 C ATOM 694 CG TRP A 41 -5.599 -0.922 -0.848 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.399 0.010 -0.257 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.426 -1.017 -0.038 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.794 0.499 0.872 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.581 -0.113 1.027 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.256 -1.781 -0.112 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.611 0.049 2.014 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.294 -1.620 0.866 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.477 -0.713 1.918 1.00 0.00 C ATOM 0 H TRP A 41 -8.105 -1.161 -2.990 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.654 0.195 -3.114 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.783 -2.287 -1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.065 -2.383 -2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.367 0.318 -0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.185 1.205 1.495 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.108 -2.483 -0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.748 0.749 2.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.386 -2.203 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.708 -0.613 2.669 1.00 0.00 H new ATOM 713 N LEU A 42 -5.984 -2.340 -5.191 1.00 0.00 N ATOM 714 CA LEU A 42 -5.398 -3.039 -6.340 1.00 0.00 C ATOM 715 C LEU A 42 -5.036 -2.078 -7.470 1.00 0.00 C ATOM 716 O LEU A 42 -4.098 -2.328 -8.228 1.00 0.00 O ATOM 717 CB LEU A 42 -6.376 -4.087 -6.876 1.00 0.00 C ATOM 718 CG LEU A 42 -7.078 -4.937 -5.821 1.00 0.00 C ATOM 719 CD1 LEU A 42 -8.160 -5.795 -6.458 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.071 -5.803 -5.085 1.00 0.00 C ATOM 0 H LEU A 42 -6.925 -2.653 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.484 -3.519 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.135 -3.579 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.835 -4.751 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.553 -4.271 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.649 -6.394 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.896 -5.153 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.711 -6.454 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.587 -6.404 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.569 -6.461 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.333 -5.167 -4.596 1.00 0.00 H new ATOM 732 N THR A 43 -5.778 -0.984 -7.558 1.00 0.00 N ATOM 733 CA THR A 43 -5.644 -0.027 -8.648 1.00 0.00 C ATOM 734 C THR A 43 -4.224 0.534 -8.767 1.00 0.00 C ATOM 735 O THR A 43 -3.669 0.605 -9.863 1.00 0.00 O ATOM 736 CB THR A 43 -6.655 1.121 -8.457 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.984 0.623 -8.673 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.386 2.290 -9.399 1.00 0.00 C ATOM 0 H THR A 43 -6.492 -0.734 -6.874 1.00 0.00 H new ATOM 0 HA THR A 43 -5.854 -0.558 -9.577 1.00 0.00 H new ATOM 0 HB THR A 43 -6.548 1.492 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.467 0.599 -7.821 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.124 3.073 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.387 2.685 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.454 1.948 -10.432 1.00 0.00 H new ATOM 746 N ALA A 44 -3.625 0.902 -7.645 1.00 0.00 N ATOM 747 CA ALA A 44 -2.328 1.568 -7.671 1.00 0.00 C ATOM 748 C ALA A 44 -1.176 0.579 -7.830 1.00 0.00 C ATOM 749 O ALA A 44 -0.122 0.918 -8.370 1.00 0.00 O ATOM 750 CB ALA A 44 -2.147 2.397 -6.422 1.00 0.00 C ATOM 0 H ALA A 44 -4.010 0.754 -6.712 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.310 2.222 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.176 2.891 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.934 3.149 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.200 1.751 -5.546 1.00 0.00 H new ATOM 756 N ILE A 45 -1.378 -0.643 -7.366 1.00 0.00 N ATOM 757 CA ILE A 45 -0.347 -1.672 -7.465 1.00 0.00 C ATOM 758 C ILE A 45 -0.432 -2.400 -8.798 1.00 0.00 C ATOM 759 O ILE A 45 0.469 -3.160 -9.160 1.00 0.00 O ATOM 760 CB ILE A 45 -0.435 -2.717 -6.330 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.737 -2.571 -5.544 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.762 -2.592 -5.404 1.00 0.00 C ATOM 763 CD1 ILE A 45 -2.076 -3.778 -4.698 1.00 0.00 C ATOM 0 H ILE A 45 -2.242 -0.950 -6.918 1.00 0.00 H new ATOM 0 HA ILE A 45 0.605 -1.149 -7.379 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.427 -3.709 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.665 -1.695 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.554 -2.387 -6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.686 -3.334 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.679 -2.758 -5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.781 -1.594 -4.967 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.013 -3.601 -4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.181 -4.654 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.279 -3.951 -3.975 1.00 0.00 H new ATOM 775 N GLY A 46 -1.525 -2.174 -9.518 1.00 0.00 N ATOM 776 CA GLY A 46 -1.740 -2.838 -10.788 1.00 0.00 C ATOM 777 C GLY A 46 -1.863 -4.338 -10.628 1.00 0.00 C ATOM 778 O GLY A 46 -1.426 -5.102 -11.488 1.00 0.00 O ATOM 0 H GLY A 46 -2.272 -1.537 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.645 -2.447 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.913 -2.611 -11.461 1.00 0.00 H new ATOM 782 N ARG A 47 -2.456 -4.763 -9.521 1.00 0.00 N ATOM 783 CA ARG A 47 -2.606 -6.181 -9.235 1.00 0.00 C ATOM 784 C ARG A 47 -4.076 -6.572 -9.197 1.00 0.00 C ATOM 785 O ARG A 47 -4.957 -5.717 -9.277 1.00 0.00 O ATOM 786 CB ARG A 47 -1.946 -6.522 -7.897 1.00 0.00 C ATOM 787 CG ARG A 47 -0.910 -7.629 -7.992 1.00 0.00 C ATOM 788 CD ARG A 47 0.438 -7.171 -7.463 1.00 0.00 C ATOM 789 NE ARG A 47 0.968 -6.045 -8.233 1.00 0.00 N ATOM 790 CZ ARG A 47 2.175 -6.026 -8.797 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.994 -7.060 -8.663 1.00 0.00 N ATOM 792 NH2 ARG A 47 2.558 -4.973 -9.505 1.00 0.00 N ATOM 0 H ARG A 47 -2.841 -4.145 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.117 -6.742 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.472 -5.626 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.718 -6.818 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.249 -8.497 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.807 -7.946 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.339 -6.882 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.144 -8.001 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 47 0.376 -5.222 -8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.701 -7.876 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.917 -7.039 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.929 -4.178 -9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.482 -4.958 -9.937 1.00 0.00 H new ATOM 806 N THR A 48 -4.332 -7.866 -9.091 1.00 0.00 N ATOM 807 CA THR A 48 -5.679 -8.371 -8.910 1.00 0.00 C ATOM 808 C THR A 48 -5.806 -8.974 -7.514 1.00 0.00 C ATOM 809 O THR A 48 -4.818 -9.049 -6.783 1.00 0.00 O ATOM 810 CB THR A 48 -6.027 -9.429 -9.979 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.093 -9.339 -11.065 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.440 -9.229 -10.508 1.00 0.00 C ATOM 0 H THR A 48 -3.615 -8.590 -9.128 1.00 0.00 H new ATOM 0 HA THR A 48 -6.380 -7.544 -9.020 1.00 0.00 H new ATOM 0 HB THR A 48 -5.968 -10.415 -9.517 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.313 -10.012 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.658 -9.988 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.152 -9.316 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.524 -8.239 -10.957 1.00 0.00 H new ATOM 820 N GLU A 49 -7.000 -9.414 -7.150 1.00 0.00 N ATOM 821 CA GLU A 49 -7.238 -9.933 -5.806 1.00 0.00 C ATOM 822 C GLU A 49 -6.512 -11.257 -5.598 1.00 0.00 C ATOM 823 O GLU A 49 -6.048 -11.553 -4.503 1.00 0.00 O ATOM 824 CB GLU A 49 -8.737 -10.095 -5.539 1.00 0.00 C ATOM 825 CG GLU A 49 -9.478 -10.911 -6.586 1.00 0.00 C ATOM 826 CD GLU A 49 -10.917 -11.181 -6.190 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.183 -11.377 -4.985 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.794 -11.181 -7.077 1.00 0.00 O ATOM 0 H GLU A 49 -7.817 -9.424 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.841 -9.210 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.871 -10.568 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.192 -9.106 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.459 -10.381 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.961 -11.858 -6.738 1.00 0.00 H new ATOM 835 N GLU A 50 -6.370 -12.024 -6.669 1.00 0.00 N ATOM 836 CA GLU A 50 -5.717 -13.323 -6.598 1.00 0.00 C ATOM 837 C GLU A 50 -4.201 -13.163 -6.573 1.00 0.00 C ATOM 838 O GLU A 50 -3.466 -14.119 -6.330 1.00 0.00 O ATOM 839 CB GLU A 50 -6.129 -14.181 -7.791 1.00 0.00 C ATOM 840 CG GLU A 50 -7.543 -14.723 -7.699 1.00 0.00 C ATOM 841 CD GLU A 50 -7.634 -16.163 -8.154 1.00 0.00 C ATOM 842 OE1 GLU A 50 -7.194 -17.059 -7.398 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.133 -16.408 -9.273 1.00 0.00 O ATOM 0 H GLU A 50 -6.699 -11.768 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.029 -13.815 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.036 -13.589 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.435 -15.017 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.893 -14.646 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.206 -14.109 -8.308 1.00 0.00 H new ATOM 850 N THR A 51 -3.738 -11.947 -6.821 1.00 0.00 N ATOM 851 CA THR A 51 -2.315 -11.658 -6.831 1.00 0.00 C ATOM 852 C THR A 51 -1.938 -10.712 -5.692 1.00 0.00 C ATOM 853 O THR A 51 -0.809 -10.229 -5.615 1.00 0.00 O ATOM 854 CB THR A 51 -1.902 -11.027 -8.174 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.052 -10.464 -8.822 1.00 0.00 O ATOM 856 CG2 THR A 51 -1.264 -12.064 -9.083 1.00 0.00 C ATOM 0 H THR A 51 -4.332 -11.142 -7.019 1.00 0.00 H new ATOM 0 HA THR A 51 -1.786 -12.601 -6.695 1.00 0.00 H new ATOM 0 HB THR A 51 -1.173 -10.242 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.006 -10.644 -9.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.980 -11.596 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.377 -12.475 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.976 -12.866 -9.276 1.00 0.00 H new ATOM 864 N VAL A 52 -2.889 -10.456 -4.803 1.00 0.00 N ATOM 865 CA VAL A 52 -2.685 -9.502 -3.723 1.00 0.00 C ATOM 866 C VAL A 52 -2.961 -10.126 -2.364 1.00 0.00 C ATOM 867 O VAL A 52 -2.649 -9.543 -1.325 1.00 0.00 O ATOM 868 CB VAL A 52 -3.588 -8.263 -3.917 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.963 -8.477 -3.297 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.930 -7.021 -3.347 1.00 0.00 C ATOM 0 H VAL A 52 -3.809 -10.896 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.639 -9.197 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.724 -8.117 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.574 -7.587 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.445 -9.334 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.855 -8.663 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.584 -6.162 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.751 -7.161 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.981 -6.846 -3.855 1.00 0.00 H new ATOM 880 N VAL A 53 -3.515 -11.321 -2.376 1.00 0.00 N ATOM 881 CA VAL A 53 -4.027 -11.915 -1.157 1.00 0.00 C ATOM 882 C VAL A 53 -2.911 -12.360 -0.210 1.00 0.00 C ATOM 883 O VAL A 53 -2.350 -13.447 -0.360 1.00 0.00 O ATOM 884 CB VAL A 53 -4.969 -13.105 -1.446 1.00 0.00 C ATOM 885 CG1 VAL A 53 -6.404 -12.621 -1.597 1.00 0.00 C ATOM 886 CG2 VAL A 53 -4.524 -13.866 -2.691 1.00 0.00 C ATOM 0 H VAL A 53 -3.622 -11.898 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.598 -11.129 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.921 -13.790 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.055 -13.471 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.722 -12.132 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.464 -11.912 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.204 -14.698 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.535 -13.196 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.514 -14.249 -2.542 1.00 0.00 H new ATOM 896 N SER A 54 -2.576 -11.473 0.732 1.00 0.00 N ATOM 897 CA SER A 54 -1.687 -11.778 1.864 1.00 0.00 C ATOM 898 C SER A 54 -0.214 -11.907 1.457 1.00 0.00 C ATOM 899 O SER A 54 0.679 -11.602 2.250 1.00 0.00 O ATOM 900 CB SER A 54 -2.156 -13.040 2.589 1.00 0.00 C ATOM 901 OG SER A 54 -3.566 -13.031 2.759 1.00 0.00 O ATOM 0 H SER A 54 -2.917 -10.512 0.733 1.00 0.00 H new ATOM 0 HA SER A 54 -1.747 -10.928 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.860 -13.922 2.021 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.669 -13.108 3.562 1.00 0.00 H new ATOM 0 HG SER A 54 -3.845 -13.848 3.223 1.00 0.00 H new ATOM 907 N GLN A 55 0.042 -12.351 0.231 1.00 0.00 N ATOM 908 CA GLN A 55 1.407 -12.473 -0.268 1.00 0.00 C ATOM 909 C GLN A 55 2.018 -11.095 -0.484 1.00 0.00 C ATOM 910 O GLN A 55 3.238 -10.931 -0.440 1.00 0.00 O ATOM 911 CB GLN A 55 1.442 -13.265 -1.580 1.00 0.00 C ATOM 912 CG GLN A 55 2.710 -14.090 -1.762 1.00 0.00 C ATOM 913 CD GLN A 55 3.634 -13.532 -2.834 1.00 0.00 C ATOM 914 OE1 GLN A 55 3.755 -14.095 -3.920 1.00 0.00 O ATOM 915 NE2 GLN A 55 4.301 -12.430 -2.532 1.00 0.00 N ATOM 0 H GLN A 55 -0.677 -12.632 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 55 1.990 -13.011 0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.578 -13.929 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.347 -12.572 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.247 -14.134 -0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.437 -15.113 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.174 -11.991 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.942 -12.019 -3.211 1.00 0.00 H new ATOM 924 N LEU A 56 1.166 -10.108 -0.702 1.00 0.00 N ATOM 925 CA LEU A 56 1.622 -8.760 -0.983 1.00 0.00 C ATOM 926 C LEU A 56 1.682 -7.925 0.288 1.00 0.00 C ATOM 927 O LEU A 56 0.803 -8.008 1.146 1.00 0.00 O ATOM 928 CB LEU A 56 0.697 -8.096 -2.001 1.00 0.00 C ATOM 929 CG LEU A 56 1.396 -7.494 -3.218 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.688 -8.570 -4.247 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.545 -6.385 -3.822 1.00 0.00 C ATOM 0 H LEU A 56 0.152 -10.217 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 56 2.628 -8.822 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.027 -8.834 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.135 -7.309 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 56 2.344 -7.062 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.186 -8.124 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.334 -9.329 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.753 -9.031 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.056 -5.965 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.418 -6.792 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.387 -5.603 -3.080 1.00 0.00 H new ATOM 943 N ARG A 57 2.736 -7.139 0.407 1.00 0.00 N ATOM 944 CA ARG A 57 2.887 -6.208 1.509 1.00 0.00 C ATOM 945 C ARG A 57 3.243 -4.839 0.950 1.00 0.00 C ATOM 946 O ARG A 57 4.027 -4.743 0.005 1.00 0.00 O ATOM 947 CB ARG A 57 3.973 -6.690 2.475 1.00 0.00 C ATOM 948 CG ARG A 57 3.478 -6.921 3.895 1.00 0.00 C ATOM 949 CD ARG A 57 3.177 -8.391 4.160 1.00 0.00 C ATOM 950 NE ARG A 57 4.394 -9.206 4.230 1.00 0.00 N ATOM 951 CZ ARG A 57 4.789 -10.039 3.263 1.00 0.00 C ATOM 952 NH1 ARG A 57 4.054 -10.177 2.166 1.00 0.00 N ATOM 953 NH2 ARG A 57 5.910 -10.738 3.399 1.00 0.00 N ATOM 0 H ARG A 57 3.510 -7.128 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 57 1.950 -6.145 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.398 -7.618 2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.778 -5.956 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.229 -6.571 4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.579 -6.330 4.067 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.626 -8.483 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.531 -8.775 3.371 1.00 0.00 H new ATOM 0 HE ARG A 57 4.973 -9.133 5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.189 -9.647 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.355 -10.813 1.427 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.473 -10.640 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.208 -11.373 2.658 1.00 0.00 H new ATOM 967 N ILE A 58 2.658 -3.791 1.507 1.00 0.00 N ATOM 968 CA ILE A 58 2.860 -2.442 0.989 1.00 0.00 C ATOM 969 C ILE A 58 3.433 -1.527 2.069 1.00 0.00 C ATOM 970 O ILE A 58 2.985 -1.558 3.211 1.00 0.00 O ATOM 971 CB ILE A 58 1.532 -1.850 0.461 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.962 -2.724 -0.664 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.729 -0.420 -0.021 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.857 -2.815 -1.882 1.00 0.00 C ATOM 0 H ILE A 58 2.040 -3.845 2.317 1.00 0.00 H new ATOM 0 HA ILE A 58 3.571 -2.508 0.165 1.00 0.00 H new ATOM 0 HB ILE A 58 0.817 -1.835 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.787 -3.728 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.007 -2.325 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.781 -0.026 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.084 0.197 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.464 -0.405 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.386 -3.450 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.012 -1.818 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.818 -3.243 -1.596 1.00 0.00 H new ATOM 986 N CYS A 59 4.425 -0.721 1.705 1.00 0.00 N ATOM 987 CA CYS A 59 5.035 0.208 2.649 1.00 0.00 C ATOM 988 C CYS A 59 4.041 1.281 3.083 1.00 0.00 C ATOM 989 O CYS A 59 3.224 1.745 2.285 1.00 0.00 O ATOM 990 CB CYS A 59 6.254 0.893 2.026 1.00 0.00 C ATOM 991 SG CYS A 59 7.342 -0.207 1.073 1.00 0.00 S ATOM 0 H CYS A 59 4.823 -0.692 0.766 1.00 0.00 H new ATOM 0 HA CYS A 59 5.344 -0.372 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.909 1.694 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.837 1.359 2.821 1.00 0.00 H new ATOM 0 HG CYS A 59 7.338 -1.392 1.608 1.00 0.00 H new ATOM 996 N SER A 60 4.134 1.688 4.339 1.00 0.00 N ATOM 997 CA SER A 60 3.341 2.802 4.840 1.00 0.00 C ATOM 998 C SER A 60 3.845 4.121 4.254 1.00 0.00 C ATOM 999 O SER A 60 3.214 5.166 4.403 1.00 0.00 O ATOM 1000 CB SER A 60 3.392 2.842 6.366 1.00 0.00 C ATOM 1001 OG SER A 60 3.360 1.532 6.906 1.00 0.00 O ATOM 0 H SER A 60 4.751 1.264 5.032 1.00 0.00 H new ATOM 0 HA SER A 60 2.306 2.661 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.299 3.352 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.549 3.418 6.747 1.00 0.00 H new ATOM 0 HG SER A 60 2.447 1.318 7.192 1.00 0.00 H new ATOM 1007 N ALA A 61 4.977 4.057 3.562 1.00 0.00 N ATOM 1008 CA ALA A 61 5.549 5.227 2.913 1.00 0.00 C ATOM 1009 C ALA A 61 4.746 5.599 1.671 1.00 0.00 C ATOM 1010 O ALA A 61 4.944 6.660 1.082 1.00 0.00 O ATOM 1011 CB ALA A 61 7.001 4.963 2.546 1.00 0.00 C ATOM 0 H ALA A 61 5.518 3.201 3.437 1.00 0.00 H new ATOM 0 HA ALA A 61 5.509 6.065 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.420 5.845 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.570 4.741 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.056 4.114 1.865 1.00 0.00 H new ATOM 1017 N HIS A 62 3.826 4.721 1.289 1.00 0.00 N ATOM 1018 CA HIS A 62 3.002 4.933 0.107 1.00 0.00 C ATOM 1019 C HIS A 62 1.755 5.743 0.452 1.00 0.00 C ATOM 1020 O HIS A 62 0.792 5.787 -0.314 1.00 0.00 O ATOM 1021 CB HIS A 62 2.607 3.588 -0.510 1.00 0.00 C ATOM 1022 CG HIS A 62 3.764 2.830 -1.088 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.293 3.075 -2.341 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.514 1.826 -0.553 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.327 2.231 -2.523 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.488 1.466 -1.467 1.00 0.00 N ATOM 0 H HIS A 62 3.632 3.851 1.785 1.00 0.00 H new ATOM 0 HA HIS A 62 3.585 5.498 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.126 2.975 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.868 3.760 -1.293 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.960 3.771 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.372 1.385 0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.938 2.189 -3.412 1.00 0.00 H new ATOM 1034 N PHE A 63 1.780 6.377 1.617 1.00 0.00 N ATOM 1035 CA PHE A 63 0.676 7.211 2.072 1.00 0.00 C ATOM 1036 C PHE A 63 1.201 8.567 2.526 1.00 0.00 C ATOM 1037 O PHE A 63 2.380 8.703 2.866 1.00 0.00 O ATOM 1038 CB PHE A 63 -0.076 6.537 3.227 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.518 5.136 2.925 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -1.685 4.902 2.219 1.00 0.00 C ATOM 1041 CD2 PHE A 63 0.238 4.053 3.342 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -2.090 3.614 1.933 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -0.163 2.763 3.061 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.329 2.544 2.354 1.00 0.00 C ATOM 0 H PHE A 63 2.562 6.328 2.270 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.014 7.348 1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.566 6.524 4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.950 7.138 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.285 5.737 1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.152 4.220 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.002 3.444 1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.434 1.926 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.645 1.535 2.131 1.00 0.00 H new ATOM 1054 N GLU A 64 0.330 9.566 2.524 1.00 0.00 N ATOM 1055 CA GLU A 64 0.687 10.895 3.001 1.00 0.00 C ATOM 1056 C GLU A 64 0.698 10.914 4.529 1.00 0.00 C ATOM 1057 O GLU A 64 -0.282 11.288 5.171 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.283 11.950 2.450 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.727 11.480 2.363 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.718 12.619 2.487 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -2.906 13.361 1.502 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -3.312 12.780 3.574 1.00 0.00 O ATOM 0 H GLU A 64 -0.632 9.481 2.196 1.00 0.00 H new ATOM 0 HA GLU A 64 1.686 11.140 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.238 12.836 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.050 12.251 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.883 10.970 1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.916 10.751 3.151 1.00 0.00 H new ATOM 1069 N GLY A 65 1.813 10.489 5.100 1.00 0.00 N ATOM 1070 CA GLY A 65 1.921 10.381 6.538 1.00 0.00 C ATOM 1071 C GLY A 65 2.152 8.948 6.965 1.00 0.00 C ATOM 1072 O GLY A 65 2.861 8.682 7.934 1.00 0.00 O ATOM 0 H GLY A 65 2.652 10.215 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.742 11.005 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.010 10.759 7.003 1.00 0.00 H new ATOM 1076 N GLY A 66 1.558 8.020 6.227 1.00 0.00 N ATOM 1077 CA GLY A 66 1.752 6.614 6.516 1.00 0.00 C ATOM 1078 C GLY A 66 0.557 5.984 7.193 1.00 0.00 C ATOM 1079 O GLY A 66 0.616 4.831 7.627 1.00 0.00 O ATOM 0 H GLY A 66 0.946 8.216 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.960 6.082 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.628 6.497 7.153 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.534 6.728 7.273 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.728 6.249 7.950 1.00 0.00 C ATOM 1085 C GLU A 67 -2.706 5.602 6.975 1.00 0.00 C ATOM 1086 O GLU A 67 -3.232 6.255 6.074 1.00 0.00 O ATOM 1087 CB GLU A 67 -2.414 7.393 8.699 1.00 0.00 C ATOM 1088 CG GLU A 67 -2.186 8.764 8.082 1.00 0.00 C ATOM 1089 CD GLU A 67 -3.467 9.561 7.959 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -4.148 9.764 8.989 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.800 9.990 6.836 1.00 0.00 O ATOM 0 H GLU A 67 -0.618 7.665 6.878 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.416 5.489 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.486 7.197 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.056 7.406 9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.473 9.319 8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.739 8.646 7.095 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.918 4.306 7.152 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.936 3.577 6.411 1.00 0.00 C ATOM 1100 C LYS A 68 -5.157 3.405 7.310 1.00 0.00 C ATOM 1101 O LYS A 68 -5.157 2.576 8.222 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.383 2.220 5.956 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.444 1.171 5.657 1.00 0.00 C ATOM 1104 CD LYS A 68 -3.956 -0.226 6.010 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.651 -0.369 7.496 1.00 0.00 C ATOM 1106 NZ LYS A 68 -4.841 -0.090 8.348 1.00 0.00 N ATOM 0 H LYS A 68 -2.391 3.732 7.811 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.226 4.130 5.517 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.778 2.370 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.719 1.835 6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.349 1.395 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.709 1.210 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.713 -0.957 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.059 -0.453 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.293 -1.379 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.845 0.314 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.661 -0.424 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.025 0.934 8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.669 -0.585 7.960 1.00 0.00 H new ATOM 1120 N LYS A 69 -6.184 4.200 7.069 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.321 4.259 7.972 1.00 0.00 C ATOM 1122 C LYS A 69 -8.649 4.148 7.231 1.00 0.00 C ATOM 1123 O LYS A 69 -9.354 3.147 7.356 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.278 5.568 8.764 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.081 5.682 9.693 1.00 0.00 C ATOM 1126 CD LYS A 69 -6.204 4.733 10.875 1.00 0.00 C ATOM 1127 CE LYS A 69 -6.239 5.486 12.194 1.00 0.00 C ATOM 1128 NZ LYS A 69 -7.506 6.246 12.369 1.00 0.00 N ATOM 0 H LYS A 69 -6.255 4.813 6.257 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.252 3.408 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.265 6.405 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.192 5.657 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.168 5.461 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.995 6.707 10.054 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.111 4.137 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.364 4.038 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.123 4.781 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.394 6.173 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.488 6.745 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.606 6.937 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.311 5.588 12.350 1.00 0.00 H new ATOM 1142 N GLU A 70 -8.982 5.166 6.455 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.301 5.253 5.842 1.00 0.00 C ATOM 1144 C GLU A 70 -10.338 4.534 4.498 1.00 0.00 C ATOM 1145 O GLU A 70 -10.746 3.377 4.408 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.704 6.718 5.664 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.802 7.166 6.614 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.290 7.430 8.014 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.891 8.576 8.299 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -11.301 6.497 8.843 1.00 0.00 O ATOM 0 H GLU A 70 -8.360 5.943 6.234 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.012 4.762 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.827 7.348 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.037 6.872 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.267 8.072 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.578 6.401 6.653 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.913 5.231 3.458 1.00 0.00 N ATOM 1158 CA GLY A 71 -9.908 4.661 2.128 1.00 0.00 C ATOM 1159 C GLY A 71 -8.641 5.017 1.394 1.00 0.00 C ATOM 1160 O GLY A 71 -8.664 5.365 0.214 1.00 0.00 O ATOM 0 H GLY A 71 -9.568 6.190 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.003 3.577 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.771 5.024 1.569 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.537 4.942 2.108 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.250 5.362 1.587 1.00 0.00 C ATOM 1166 C ASP A 72 -5.616 4.268 0.743 1.00 0.00 C ATOM 1167 O ASP A 72 -5.195 3.233 1.257 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.319 5.750 2.737 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.079 6.309 3.926 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.381 7.518 3.928 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.401 5.533 4.847 1.00 0.00 O ATOM 0 H ASP A 72 -7.505 4.589 3.064 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.409 6.231 0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.748 4.876 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.600 6.491 2.386 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.576 4.503 -0.559 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.929 3.597 -1.496 1.00 0.00 C ATOM 1178 C ILE A 73 -3.465 3.993 -1.663 1.00 0.00 C ATOM 1179 O ILE A 73 -3.154 5.171 -1.835 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.645 3.618 -2.868 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.071 3.094 -2.718 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -4.888 2.801 -3.909 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.130 4.125 -3.034 1.00 0.00 C ATOM 0 H ILE A 73 -5.991 5.326 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.988 2.584 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.674 4.650 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.205 2.235 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.214 2.740 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.421 2.839 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.887 3.213 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.814 1.766 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.118 3.683 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.023 4.975 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.014 4.462 -4.064 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.552 3.013 -1.625 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.111 3.274 -1.636 1.00 0.00 C ATOM 1197 C PRO A 74 -0.635 3.858 -2.963 1.00 0.00 C ATOM 1198 O PRO A 74 -0.725 3.210 -3.999 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.500 1.890 -1.413 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.531 0.931 -1.897 1.00 0.00 C ATOM 1201 CD PRO A 74 -2.858 1.571 -1.612 1.00 0.00 C ATOM 0 HA PRO A 74 -0.825 4.009 -0.884 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.434 1.777 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.271 1.725 -0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.413 0.736 -2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.442 -0.028 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.600 1.311 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.258 1.254 -0.649 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.114 5.075 -2.925 1.00 0.00 N ATOM 1210 CA VAL A 75 0.342 5.734 -4.143 1.00 0.00 C ATOM 1211 C VAL A 75 1.841 5.537 -4.331 1.00 0.00 C ATOM 1212 O VAL A 75 2.563 5.258 -3.373 1.00 0.00 O ATOM 1213 CB VAL A 75 0.014 7.247 -4.152 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.403 7.472 -4.651 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.204 7.861 -2.773 1.00 0.00 C ATOM 0 H VAL A 75 0.004 5.624 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.196 5.270 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 75 0.708 7.742 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.623 8.540 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.499 7.080 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.106 6.958 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.034 8.924 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.457 7.367 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.239 7.732 -2.457 1.00 0.00 H new ATOM 1225 N PRO A 76 2.325 5.667 -5.574 1.00 0.00 N ATOM 1226 CA PRO A 76 3.738 5.450 -5.895 1.00 0.00 C ATOM 1227 C PRO A 76 4.622 6.578 -5.378 1.00 0.00 C ATOM 1228 O PRO A 76 5.807 6.386 -5.102 1.00 0.00 O ATOM 1229 CB PRO A 76 3.746 5.408 -7.423 1.00 0.00 C ATOM 1230 CG PRO A 76 2.572 6.230 -7.833 1.00 0.00 C ATOM 1231 CD PRO A 76 1.533 6.040 -6.763 1.00 0.00 C ATOM 0 HA PRO A 76 4.136 4.547 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.674 5.815 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.661 4.386 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.846 7.281 -7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.194 5.911 -8.804 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.960 6.952 -6.594 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.820 5.261 -7.030 1.00 0.00 H new ATOM 1239 N ASP A 77 4.017 7.746 -5.240 1.00 0.00 N ATOM 1240 CA ASP A 77 4.702 8.941 -4.771 1.00 0.00 C ATOM 1241 C ASP A 77 3.668 9.982 -4.376 1.00 0.00 C ATOM 1242 O ASP A 77 3.075 10.626 -5.238 1.00 0.00 O ATOM 1243 CB ASP A 77 5.618 9.501 -5.863 1.00 0.00 C ATOM 1244 CG ASP A 77 6.617 10.502 -5.325 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.245 11.680 -5.159 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.780 10.117 -5.083 1.00 0.00 O ATOM 0 H ASP A 77 3.030 7.894 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 77 5.317 8.686 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.153 8.680 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.011 9.977 -6.633 1.00 0.00 H new ATOM 1251 N PRO A 78 3.423 10.140 -3.067 1.00 0.00 N ATOM 1252 CA PRO A 78 2.407 11.068 -2.546 1.00 0.00 C ATOM 1253 C PRO A 78 2.769 12.530 -2.789 1.00 0.00 C ATOM 1254 O PRO A 78 2.008 13.440 -2.447 1.00 0.00 O ATOM 1255 CB PRO A 78 2.374 10.771 -1.038 1.00 0.00 C ATOM 1256 CG PRO A 78 3.108 9.481 -0.867 1.00 0.00 C ATOM 1257 CD PRO A 78 4.109 9.422 -1.984 1.00 0.00 C ATOM 0 HA PRO A 78 1.447 10.926 -3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.850 11.571 -0.470 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.349 10.690 -0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.603 9.440 0.103 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.423 8.634 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.049 9.902 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.344 8.395 -2.264 1.00 0.00 H new ATOM 1265 N THR A 79 3.942 12.746 -3.359 1.00 0.00 N ATOM 1266 CA THR A 79 4.419 14.071 -3.660 1.00 0.00 C ATOM 1267 C THR A 79 4.061 14.470 -5.093 1.00 0.00 C ATOM 1268 O THR A 79 3.522 15.554 -5.325 1.00 0.00 O ATOM 1269 CB THR A 79 5.936 14.127 -3.448 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.282 13.327 -2.307 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.404 15.542 -3.225 1.00 0.00 C ATOM 0 H THR A 79 4.587 12.001 -3.624 1.00 0.00 H new ATOM 0 HA THR A 79 3.935 14.781 -2.989 1.00 0.00 H new ATOM 0 HB THR A 79 6.424 13.743 -4.344 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.252 13.358 -2.168 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.484 15.549 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.152 16.150 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.915 15.952 -2.342 1.00 0.00 H new ATOM 1279 N VAL A 80 4.341 13.589 -6.052 1.00 0.00 N ATOM 1280 CA VAL A 80 4.020 13.872 -7.448 1.00 0.00 C ATOM 1281 C VAL A 80 2.592 13.461 -7.784 1.00 0.00 C ATOM 1282 O VAL A 80 1.853 14.199 -8.438 1.00 0.00 O ATOM 1283 CB VAL A 80 4.982 13.174 -8.437 1.00 0.00 C ATOM 1284 CG1 VAL A 80 6.384 13.737 -8.310 1.00 0.00 C ATOM 1285 CG2 VAL A 80 5.007 11.666 -8.248 1.00 0.00 C ATOM 0 H VAL A 80 4.784 12.684 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 80 4.132 14.950 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 80 4.605 13.374 -9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.044 13.232 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.369 14.805 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.749 13.580 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.697 11.221 -8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.335 11.432 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.007 11.263 -8.408 1.00 0.00 H new ATOM 1295 N ASP A 81 2.215 12.277 -7.341 1.00 0.00 N ATOM 1296 CA ASP A 81 0.889 11.743 -7.612 1.00 0.00 C ATOM 1297 C ASP A 81 -0.085 12.111 -6.510 1.00 0.00 C ATOM 1298 O ASP A 81 0.298 12.275 -5.349 1.00 0.00 O ATOM 1299 CB ASP A 81 0.929 10.222 -7.772 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.229 9.711 -8.605 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.914 10.537 -9.250 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.457 8.485 -8.623 1.00 0.00 O ATOM 0 H ASP A 81 2.811 11.661 -6.788 1.00 0.00 H new ATOM 0 HA ASP A 81 0.548 12.188 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.869 9.931 -8.240 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.904 9.753 -6.789 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.346 12.237 -6.878 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.386 12.542 -5.918 1.00 0.00 C ATOM 1309 C LYS A 82 -2.831 11.267 -5.220 1.00 0.00 C ATOM 1310 O LYS A 82 -3.543 10.452 -5.811 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.591 13.219 -6.584 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.410 13.499 -8.067 1.00 0.00 C ATOM 1313 CD LYS A 82 -4.402 14.541 -8.558 1.00 0.00 C ATOM 1314 CE LYS A 82 -5.744 13.918 -8.909 1.00 0.00 C ATOM 1315 NZ LYS A 82 -6.686 14.912 -9.485 1.00 0.00 N ATOM 0 H LYS A 82 -1.674 12.132 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.974 13.238 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.468 12.586 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.794 14.159 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.393 13.846 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.540 12.576 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.543 15.300 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.995 15.047 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.592 13.107 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.184 13.478 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.588 14.446 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.852 15.673 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.278 15.314 -10.353 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.335 11.083 -3.995 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.765 10.003 -3.103 1.00 0.00 C ATOM 1331 C GLN A 83 -4.227 9.623 -3.345 1.00 0.00 C ATOM 1332 O GLN A 83 -5.132 10.446 -3.179 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.553 10.430 -1.643 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.410 9.671 -0.640 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.665 8.529 0.016 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.627 8.727 0.643 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.192 7.328 -0.119 1.00 0.00 N ATOM 0 H GLN A 83 -1.617 11.684 -3.590 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.162 9.120 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.503 10.292 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.766 11.495 -1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.760 10.360 0.128 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.294 9.281 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.056 7.207 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.736 6.520 0.305 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.453 8.379 -3.754 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.797 7.925 -4.046 1.00 0.00 C ATOM 1348 C ILE A 84 -6.521 7.614 -2.749 1.00 0.00 C ATOM 1349 O ILE A 84 -6.046 6.819 -1.937 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.823 6.672 -4.955 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.850 6.814 -6.128 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.230 6.437 -5.480 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -3.891 5.652 -6.256 1.00 0.00 C ATOM 0 H ILE A 84 -3.726 7.676 -3.888 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.296 8.730 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.511 5.817 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.419 6.910 -7.053 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.279 7.735 -6.008 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.237 5.553 -6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.910 6.285 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.553 7.304 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.230 5.818 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.297 5.569 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.454 4.731 -6.407 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.648 8.266 -2.536 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.426 8.054 -1.332 1.00 0.00 C ATOM 1367 C LYS A 85 -9.899 7.915 -1.673 1.00 0.00 C ATOM 1368 O LYS A 85 -10.453 8.728 -2.413 1.00 0.00 O ATOM 1369 CB LYS A 85 -8.221 9.209 -0.347 1.00 0.00 C ATOM 1370 CG LYS A 85 -7.071 8.982 0.623 1.00 0.00 C ATOM 1371 CD LYS A 85 -7.125 9.951 1.795 1.00 0.00 C ATOM 1372 CE LYS A 85 -5.731 10.382 2.229 1.00 0.00 C ATOM 1373 NZ LYS A 85 -5.372 9.854 3.572 1.00 0.00 N ATOM 0 H LYS A 85 -8.045 8.948 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 85 -8.085 7.132 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.038 10.126 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.140 9.360 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.105 7.958 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.123 9.098 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.708 10.829 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.639 9.481 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.001 10.035 1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.677 11.471 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.367 10.042 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.954 10.322 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.544 8.829 3.599 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.523 6.874 -1.146 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.946 6.654 -1.351 1.00 0.00 C ATOM 1389 C ILE A 86 -12.746 7.548 -0.420 1.00 0.00 C ATOM 1390 O ILE A 86 -12.454 7.625 0.774 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.351 5.186 -1.094 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.351 4.228 -1.740 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.753 4.929 -1.628 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.058 2.996 -0.908 1.00 0.00 C ATOM 0 H ILE A 86 -10.065 6.166 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.160 6.892 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.346 5.009 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.736 3.916 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.418 4.761 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.029 3.891 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.460 5.588 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.775 5.123 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.340 2.365 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.642 3.297 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.981 2.439 -0.746 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.745 8.224 -0.966 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.591 9.093 -0.167 1.00 0.00 C ATOM 1408 C GLU A 87 -15.536 8.256 0.683 1.00 0.00 C ATOM 1409 O GLU A 87 -16.556 7.763 0.200 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.388 10.041 -1.063 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.626 11.408 -0.441 1.00 0.00 C ATOM 1412 CD GLU A 87 -14.677 12.466 -0.969 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -13.617 12.106 -1.519 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -14.993 13.672 -0.840 1.00 0.00 O ATOM 0 H GLU A 87 -13.988 8.187 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 87 -13.957 9.691 0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.858 10.168 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.350 9.585 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -16.653 11.717 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.515 11.334 0.641 1.00 0.00 H new