USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 THR OG1 : rot -149:sc= 1.04 USER MOD Set 2.1: A 7 CYS SG : rot 155:sc= -3.55! USER MOD Set 2.2: A 12 CYS SG : rot 133:sc= 0.545 USER MOD Set 2.3: A 59 CYS SG : rot -45:sc= 0.0664! USER MOD Set 2.4: A 62 HIS :FLIP no HD1:sc= -1.1 F(o=-4.8!,f=-4) USER MOD Single : A 6 THR OG1 : rot -10:sc= 0.762 USER MOD Single : A 11 ASN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.07) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 28 TYR OH : rot 153:sc= 0.538 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 43 THR OG1 : rot 93:sc= 0 USER MOD Single : A 54 SER OG : rot -78:sc= 0.306 USER MOD Single : A 55 GLN : amide:sc=-0.00862 K(o=-0.0086,f=-0.6) USER MOD Single : A 60 SER OG : rot -70:sc= 1.82 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.96) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 1.79 K(o=1.8,f=-4.9!) USER MOD Single : A 85 LYS NZ :NH3+ -148:sc= 1.13 (180deg=0.86) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 8.682 -8.373 0.975 1.00 0.00 N ATOM 67 CA THR A 6 8.510 -8.027 -0.419 1.00 0.00 C ATOM 68 C THR A 6 7.505 -6.899 -0.585 1.00 0.00 C ATOM 69 O THR A 6 6.357 -7.017 -0.147 1.00 0.00 O ATOM 70 CB THR A 6 8.021 -9.246 -1.214 1.00 0.00 C ATOM 71 OG1 THR A 6 7.685 -10.305 -0.305 1.00 0.00 O ATOM 72 CG2 THR A 6 9.082 -9.721 -2.193 1.00 0.00 C ATOM 0 HA THR A 6 9.478 -7.700 -0.798 1.00 0.00 H new ATOM 0 HB THR A 6 7.139 -8.957 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.992 -10.072 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.709 -10.585 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.316 -8.919 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.983 -10.000 -1.646 1.00 0.00 H new ATOM 80 N CYS A 7 7.935 -5.803 -1.198 1.00 0.00 N ATOM 81 CA CYS A 7 7.016 -4.741 -1.547 1.00 0.00 C ATOM 82 C CYS A 7 6.042 -5.256 -2.590 1.00 0.00 C ATOM 83 O CYS A 7 6.424 -6.004 -3.498 1.00 0.00 O ATOM 84 CB CYS A 7 7.752 -3.510 -2.086 1.00 0.00 C ATOM 85 SG CYS A 7 6.646 -2.178 -2.672 1.00 0.00 S ATOM 0 H CYS A 7 8.906 -5.632 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 7 6.482 -4.437 -0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.397 -3.113 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.400 -3.818 -2.907 1.00 0.00 H new ATOM 0 HG CYS A 7 7.268 -1.038 -2.609 1.00 0.00 H new ATOM 90 N GLY A 8 4.796 -4.862 -2.453 1.00 0.00 N ATOM 91 CA GLY A 8 3.777 -5.303 -3.371 1.00 0.00 C ATOM 92 C GLY A 8 3.814 -4.533 -4.668 1.00 0.00 C ATOM 93 O GLY A 8 3.224 -4.951 -5.663 1.00 0.00 O ATOM 0 H GLY A 8 4.467 -4.239 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.909 -6.365 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.797 -5.187 -2.908 1.00 0.00 H new ATOM 97 N PHE A 9 4.522 -3.415 -4.661 1.00 0.00 N ATOM 98 CA PHE A 9 4.601 -2.553 -5.817 1.00 0.00 C ATOM 99 C PHE A 9 5.565 -3.130 -6.844 1.00 0.00 C ATOM 100 O PHE A 9 6.509 -3.838 -6.487 1.00 0.00 O ATOM 101 CB PHE A 9 5.064 -1.168 -5.376 1.00 0.00 C ATOM 102 CG PHE A 9 4.003 -0.111 -5.478 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.906 -0.135 -4.633 1.00 0.00 C ATOM 104 CD2 PHE A 9 4.107 0.907 -6.410 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.929 0.837 -4.716 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.134 1.883 -6.497 1.00 0.00 C ATOM 107 CZ PHE A 9 2.044 1.849 -5.650 1.00 0.00 C ATOM 0 H PHE A 9 5.054 -3.085 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 9 3.617 -2.477 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.410 -1.223 -4.344 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.919 -0.871 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.814 -0.923 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.957 0.938 -7.075 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.077 0.807 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.226 2.673 -7.228 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.283 2.612 -5.717 1.00 0.00 H new ATOM 117 N PRO A 10 5.330 -2.853 -8.138 1.00 0.00 N ATOM 118 CA PRO A 10 6.216 -3.301 -9.219 1.00 0.00 C ATOM 119 C PRO A 10 7.633 -2.760 -9.062 1.00 0.00 C ATOM 120 O PRO A 10 8.592 -3.304 -9.616 1.00 0.00 O ATOM 121 CB PRO A 10 5.565 -2.736 -10.489 1.00 0.00 C ATOM 122 CG PRO A 10 4.628 -1.676 -10.018 1.00 0.00 C ATOM 123 CD PRO A 10 4.171 -2.109 -8.656 1.00 0.00 C ATOM 0 HA PRO A 10 6.320 -4.386 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.315 -2.325 -11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.034 -3.514 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.125 -0.707 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.783 -1.571 -10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.923 -1.256 -8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.281 -2.735 -8.709 1.00 0.00 H new ATOM 131 N ASN A 11 7.749 -1.692 -8.293 1.00 0.00 N ATOM 132 CA ASN A 11 9.030 -1.058 -8.020 1.00 0.00 C ATOM 133 C ASN A 11 8.902 -0.113 -6.834 1.00 0.00 C ATOM 134 O ASN A 11 8.143 0.859 -6.886 1.00 0.00 O ATOM 135 CB ASN A 11 9.521 -0.285 -9.248 1.00 0.00 C ATOM 136 CG ASN A 11 11.024 -0.364 -9.432 1.00 0.00 C ATOM 137 OD1 ASN A 11 11.740 -0.937 -8.609 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.511 0.208 -10.522 1.00 0.00 N ATOM 0 H ASN A 11 6.957 -1.238 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 11 9.756 -1.836 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.030 -0.677 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.226 0.760 -9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.514 0.184 -10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.883 0.672 -11.178 1.00 0.00 H new ATOM 145 N CYS A 12 9.619 -0.410 -5.760 1.00 0.00 N ATOM 146 CA CYS A 12 9.603 0.434 -4.580 1.00 0.00 C ATOM 147 C CYS A 12 10.752 1.427 -4.626 1.00 0.00 C ATOM 148 O CYS A 12 11.899 1.074 -4.354 1.00 0.00 O ATOM 149 CB CYS A 12 9.699 -0.410 -3.309 1.00 0.00 C ATOM 150 SG CYS A 12 9.152 0.454 -1.801 1.00 0.00 S ATOM 0 H CYS A 12 10.219 -1.231 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 12 8.660 0.980 -4.566 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.098 -1.311 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.732 -0.732 -3.176 1.00 0.00 H new ATOM 0 HG CYS A 12 8.359 -0.320 -1.121 1.00 0.00 H new ATOM 155 N LYS A 13 10.444 2.667 -4.962 1.00 0.00 N ATOM 156 CA LYS A 13 11.456 3.710 -5.011 1.00 0.00 C ATOM 157 C LYS A 13 11.775 4.200 -3.604 1.00 0.00 C ATOM 158 O LYS A 13 12.797 4.840 -3.368 1.00 0.00 O ATOM 159 CB LYS A 13 10.979 4.881 -5.875 1.00 0.00 C ATOM 160 CG LYS A 13 9.745 5.583 -5.326 1.00 0.00 C ATOM 161 CD LYS A 13 9.463 6.883 -6.057 1.00 0.00 C ATOM 162 CE LYS A 13 8.320 6.727 -7.047 1.00 0.00 C ATOM 163 NZ LYS A 13 8.168 7.929 -7.907 1.00 0.00 N ATOM 0 H LYS A 13 9.503 2.977 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 13 12.359 3.292 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.788 5.606 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.762 4.516 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.882 4.923 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.885 5.786 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.217 7.662 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.360 7.208 -6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.498 5.852 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.391 6.548 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.448 7.746 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.874 8.738 -7.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.076 8.145 -8.366 1.00 0.00 H new ATOM 177 N PHE A 14 10.898 3.875 -2.666 1.00 0.00 N ATOM 178 CA PHE A 14 11.024 4.359 -1.301 1.00 0.00 C ATOM 179 C PHE A 14 11.970 3.482 -0.498 1.00 0.00 C ATOM 180 O PHE A 14 12.830 3.982 0.222 1.00 0.00 O ATOM 181 CB PHE A 14 9.652 4.409 -0.635 1.00 0.00 C ATOM 182 CG PHE A 14 8.654 5.235 -1.399 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.838 6.599 -1.552 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.537 4.645 -1.965 1.00 0.00 C ATOM 185 CE1 PHE A 14 7.926 7.359 -2.256 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.620 5.402 -2.669 1.00 0.00 C ATOM 187 CZ PHE A 14 6.816 6.760 -2.814 1.00 0.00 C ATOM 0 H PHE A 14 10.089 3.276 -2.827 1.00 0.00 H new ATOM 0 HA PHE A 14 11.441 5.366 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.269 3.394 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.758 4.816 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.705 7.073 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.381 3.582 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.081 8.422 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.751 4.931 -3.105 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.101 7.354 -3.364 1.00 0.00 H new ATOM 197 N ARG A 15 11.818 2.173 -0.629 1.00 0.00 N ATOM 198 CA ARG A 15 12.679 1.247 0.094 1.00 0.00 C ATOM 199 C ARG A 15 14.039 1.128 -0.587 1.00 0.00 C ATOM 200 O ARG A 15 15.040 0.813 0.056 1.00 0.00 O ATOM 201 CB ARG A 15 12.006 -0.116 0.221 1.00 0.00 C ATOM 202 CG ARG A 15 10.932 -0.140 1.297 1.00 0.00 C ATOM 203 CD ARG A 15 10.174 -1.449 1.300 1.00 0.00 C ATOM 204 NE ARG A 15 10.928 -2.512 1.958 1.00 0.00 N ATOM 205 CZ ARG A 15 11.306 -3.632 1.354 1.00 0.00 C ATOM 206 NH1 ARG A 15 10.964 -3.848 0.091 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.006 -4.544 2.018 1.00 0.00 N ATOM 0 H ARG A 15 11.115 1.731 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 15 12.844 1.639 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.562 -0.388 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.760 -0.870 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.391 0.017 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.236 0.683 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.218 -1.314 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.952 -1.743 0.274 1.00 0.00 H new ATOM 0 HE ARG A 15 11.179 -2.387 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.412 -3.154 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.253 -4.708 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.254 -4.385 2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.295 -5.404 1.552 1.00 0.00 H new ATOM 368 N ARG A 25 9.431 0.447 8.424 1.00 0.00 N ATOM 369 CA ARG A 25 8.083 0.954 8.216 1.00 0.00 C ATOM 370 C ARG A 25 7.033 -0.100 8.556 1.00 0.00 C ATOM 371 O ARG A 25 7.358 -1.181 9.057 1.00 0.00 O ATOM 372 CB ARG A 25 7.912 1.399 6.762 1.00 0.00 C ATOM 373 CG ARG A 25 8.577 2.727 6.446 1.00 0.00 C ATOM 374 CD ARG A 25 7.851 3.460 5.333 1.00 0.00 C ATOM 375 NE ARG A 25 7.334 4.756 5.773 1.00 0.00 N ATOM 376 CZ ARG A 25 7.880 5.923 5.443 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.998 5.959 4.732 1.00 0.00 N ATOM 378 NH2 ARG A 25 7.322 7.058 5.840 1.00 0.00 N ATOM 0 HA ARG A 25 7.939 1.805 8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.324 0.632 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.848 1.473 6.537 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.595 3.348 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.614 2.556 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.530 3.607 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.027 2.845 4.972 1.00 0.00 H new ATOM 0 HE ARG A 25 6.506 4.765 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.442 5.090 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.414 6.856 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.470 7.039 6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.744 7.951 5.585 1.00 0.00 H new ATOM 392 N HIS A 26 5.776 0.231 8.276 1.00 0.00 N ATOM 393 CA HIS A 26 4.654 -0.670 8.516 1.00 0.00 C ATOM 394 C HIS A 26 4.211 -1.308 7.206 1.00 0.00 C ATOM 395 O HIS A 26 3.634 -0.637 6.347 1.00 0.00 O ATOM 396 CB HIS A 26 3.477 0.101 9.124 1.00 0.00 C ATOM 397 CG HIS A 26 3.504 0.198 10.614 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.406 -0.916 11.412 1.00 0.00 N ATOM 399 CD2 HIS A 26 3.590 1.296 11.395 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.436 -0.471 12.655 1.00 0.00 C ATOM 401 NE2 HIS A 26 3.546 0.864 12.695 1.00 0.00 N ATOM 0 H HIS A 26 5.507 1.130 7.877 1.00 0.00 H new ATOM 0 HA HIS A 26 4.974 -1.446 9.211 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.465 1.108 8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.548 -0.381 8.821 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.677 2.319 11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.379 -1.103 13.529 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.589 1.446 13.531 1.00 0.00 H new ATOM 409 N PHE A 27 4.493 -2.589 7.047 1.00 0.00 N ATOM 410 CA PHE A 27 4.094 -3.308 5.849 1.00 0.00 C ATOM 411 C PHE A 27 2.648 -3.772 5.973 1.00 0.00 C ATOM 412 O PHE A 27 2.351 -4.718 6.706 1.00 0.00 O ATOM 413 CB PHE A 27 5.016 -4.504 5.610 1.00 0.00 C ATOM 414 CG PHE A 27 6.096 -4.238 4.607 1.00 0.00 C ATOM 415 CD1 PHE A 27 5.830 -4.300 3.251 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.382 -3.935 5.021 1.00 0.00 C ATOM 417 CE1 PHE A 27 6.824 -4.065 2.326 1.00 0.00 C ATOM 418 CE2 PHE A 27 8.381 -3.697 4.099 1.00 0.00 C ATOM 419 CZ PHE A 27 8.100 -3.764 2.750 1.00 0.00 C ATOM 0 H PHE A 27 4.996 -3.153 7.732 1.00 0.00 H new ATOM 0 HA PHE A 27 4.175 -2.634 4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.474 -4.794 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.419 -5.351 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.832 -4.535 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.606 -3.884 6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.603 -4.117 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.380 -3.459 4.433 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.880 -3.580 2.026 1.00 0.00 H new ATOM 429 N TYR A 28 1.757 -3.113 5.246 1.00 0.00 N ATOM 430 CA TYR A 28 0.330 -3.391 5.342 1.00 0.00 C ATOM 431 C TYR A 28 -0.025 -4.650 4.561 1.00 0.00 C ATOM 432 O TYR A 28 0.539 -4.908 3.496 1.00 0.00 O ATOM 433 CB TYR A 28 -0.482 -2.206 4.803 1.00 0.00 C ATOM 434 CG TYR A 28 -0.321 -0.918 5.589 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.211 -0.929 6.976 1.00 0.00 C ATOM 436 CD2 TYR A 28 -0.296 0.311 4.941 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.078 0.249 7.691 1.00 0.00 C ATOM 438 CE2 TYR A 28 -0.167 1.494 5.650 1.00 0.00 C ATOM 439 CZ TYR A 28 -0.058 1.456 7.024 1.00 0.00 C ATOM 440 OH TYR A 28 0.060 2.633 7.737 1.00 0.00 O ATOM 0 H TYR A 28 1.998 -2.379 4.580 1.00 0.00 H new ATOM 0 HA TYR A 28 0.085 -3.546 6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.190 -2.024 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.537 -2.480 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.230 -1.871 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.379 0.344 3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.010 0.223 8.767 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.152 2.440 5.130 1.00 0.00 H new ATOM 0 HH TYR A 28 0.477 3.317 7.173 1.00 0.00 H new ATOM 450 N ARG A 29 -0.965 -5.429 5.089 1.00 0.00 N ATOM 451 CA ARG A 29 -1.388 -6.673 4.442 1.00 0.00 C ATOM 452 C ARG A 29 -2.572 -6.426 3.513 1.00 0.00 C ATOM 453 O ARG A 29 -3.271 -7.362 3.130 1.00 0.00 O ATOM 454 CB ARG A 29 -1.770 -7.740 5.474 1.00 0.00 C ATOM 455 CG ARG A 29 -1.509 -7.343 6.915 1.00 0.00 C ATOM 456 CD ARG A 29 -0.096 -7.701 7.338 1.00 0.00 C ATOM 457 NE ARG A 29 0.235 -7.140 8.647 1.00 0.00 N ATOM 458 CZ ARG A 29 0.701 -7.856 9.675 1.00 0.00 C ATOM 459 NH1 ARG A 29 0.941 -9.156 9.540 1.00 0.00 N ATOM 460 NH2 ARG A 29 0.918 -7.267 10.846 1.00 0.00 N ATOM 0 H ARG A 29 -1.450 -5.223 5.963 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.541 -7.036 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.828 -7.974 5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.216 -8.653 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.666 -6.271 7.033 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.224 -7.844 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.011 -8.785 7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.611 -7.332 6.595 1.00 0.00 H new ATOM 0 HE ARG A 29 0.102 -6.138 8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.770 -9.616 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.297 -9.694 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.729 -6.271 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.274 -7.811 11.632 1.00 0.00 H new ATOM 474 N ILE A 30 -2.776 -5.158 3.159 1.00 0.00 N ATOM 475 CA ILE A 30 -3.890 -4.736 2.313 1.00 0.00 C ATOM 476 C ILE A 30 -5.235 -4.895 3.034 1.00 0.00 C ATOM 477 O ILE A 30 -5.712 -6.011 3.251 1.00 0.00 O ATOM 478 CB ILE A 30 -3.915 -5.496 0.967 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.639 -5.210 0.173 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.140 -5.105 0.145 1.00 0.00 C ATOM 481 CD1 ILE A 30 -1.742 -6.417 0.001 1.00 0.00 C ATOM 0 H ILE A 30 -2.170 -4.392 3.453 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.734 -3.678 2.100 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.969 -6.564 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.912 -4.829 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.079 -4.421 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.136 -5.653 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.045 -5.348 0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.116 -4.034 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.859 -6.135 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.437 -6.786 0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.284 -7.200 -0.529 1.00 0.00 H new ATOM 493 N PRO A 31 -5.832 -3.757 3.437 1.00 0.00 N ATOM 494 CA PRO A 31 -7.145 -3.701 4.082 1.00 0.00 C ATOM 495 C PRO A 31 -8.167 -4.632 3.443 1.00 0.00 C ATOM 496 O PRO A 31 -8.535 -4.454 2.289 1.00 0.00 O ATOM 497 CB PRO A 31 -7.580 -2.252 3.864 1.00 0.00 C ATOM 498 CG PRO A 31 -6.325 -1.467 3.715 1.00 0.00 C ATOM 499 CD PRO A 31 -5.238 -2.422 3.299 1.00 0.00 C ATOM 0 HA PRO A 31 -7.084 -4.011 5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.205 -2.161 2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.169 -1.890 4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.451 -0.682 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.066 -0.977 4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.920 -2.236 2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.356 -2.315 3.930 1.00 0.00 H new ATOM 507 N LYS A 32 -8.638 -5.608 4.201 1.00 0.00 N ATOM 508 CA LYS A 32 -9.628 -6.551 3.696 1.00 0.00 C ATOM 509 C LYS A 32 -11.018 -6.160 4.178 1.00 0.00 C ATOM 510 O LYS A 32 -11.946 -6.975 4.182 1.00 0.00 O ATOM 511 CB LYS A 32 -9.294 -7.979 4.142 1.00 0.00 C ATOM 512 CG LYS A 32 -8.662 -8.065 5.523 1.00 0.00 C ATOM 513 CD LYS A 32 -7.958 -9.397 5.731 1.00 0.00 C ATOM 514 CE LYS A 32 -6.448 -9.233 5.726 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.782 -10.173 6.663 1.00 0.00 N ATOM 0 H LYS A 32 -8.353 -5.770 5.167 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.610 -6.519 2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.207 -8.574 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.616 -8.426 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.948 -7.251 5.649 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.431 -7.935 6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.275 -9.834 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.252 -10.092 4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.069 -9.398 4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.194 -8.209 5.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.753 -10.027 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.124 -10.000 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.002 -11.152 6.388 1.00 0.00 H new ATOM 529 N ARG A 33 -11.149 -4.904 4.575 1.00 0.00 N ATOM 530 CA ARG A 33 -12.388 -4.385 5.123 1.00 0.00 C ATOM 531 C ARG A 33 -12.494 -2.886 4.853 1.00 0.00 C ATOM 532 O ARG A 33 -11.742 -2.100 5.428 1.00 0.00 O ATOM 533 CB ARG A 33 -12.431 -4.647 6.631 1.00 0.00 C ATOM 534 CG ARG A 33 -13.649 -5.429 7.087 1.00 0.00 C ATOM 535 CD ARG A 33 -14.368 -4.733 8.237 1.00 0.00 C ATOM 536 NE ARG A 33 -13.486 -3.835 8.983 1.00 0.00 N ATOM 537 CZ ARG A 33 -13.131 -4.020 10.252 1.00 0.00 C ATOM 538 NH1 ARG A 33 -13.602 -5.054 10.941 1.00 0.00 N ATOM 539 NH2 ARG A 33 -12.310 -3.162 10.841 1.00 0.00 N ATOM 0 H ARG A 33 -10.397 -4.217 4.525 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.228 -4.888 4.645 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.533 -5.192 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.407 -3.692 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.336 -5.553 6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.344 -6.428 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.212 -4.166 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.776 -5.483 8.914 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.120 -3.015 8.499 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.241 -5.714 10.498 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.324 -5.188 11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.951 -2.361 10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.037 -3.303 11.814 1.00 0.00 H new ATOM 553 N PRO A 34 -13.412 -2.462 3.969 1.00 0.00 N ATOM 554 CA PRO A 34 -14.289 -3.357 3.210 1.00 0.00 C ATOM 555 C PRO A 34 -13.591 -3.972 1.997 1.00 0.00 C ATOM 556 O PRO A 34 -12.453 -3.621 1.674 1.00 0.00 O ATOM 557 CB PRO A 34 -15.436 -2.437 2.751 1.00 0.00 C ATOM 558 CG PRO A 34 -15.156 -1.091 3.341 1.00 0.00 C ATOM 559 CD PRO A 34 -13.692 -1.062 3.658 1.00 0.00 C ATOM 0 HA PRO A 34 -14.616 -4.204 3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.480 -2.383 1.663 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.399 -2.818 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.417 -0.298 2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.751 -0.930 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.100 -0.707 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.471 -0.406 4.500 1.00 0.00 H new ATOM 567 N LEU A 35 -14.288 -4.874 1.318 1.00 0.00 N ATOM 568 CA LEU A 35 -13.725 -5.590 0.176 1.00 0.00 C ATOM 569 C LEU A 35 -13.481 -4.658 -1.007 1.00 0.00 C ATOM 570 O LEU A 35 -12.472 -4.781 -1.702 1.00 0.00 O ATOM 571 CB LEU A 35 -14.653 -6.731 -0.247 1.00 0.00 C ATOM 572 CG LEU A 35 -14.293 -8.109 0.316 1.00 0.00 C ATOM 573 CD1 LEU A 35 -12.829 -8.433 0.049 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.586 -8.166 1.808 1.00 0.00 C ATOM 0 H LEU A 35 -15.250 -5.130 1.539 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.765 -6.000 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -15.669 -6.485 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.656 -6.791 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.907 -8.856 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.594 -9.416 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.646 -8.433 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.198 -7.682 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.325 -9.152 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.997 -7.407 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.646 -7.980 1.978 1.00 0.00 H new ATOM 586 N ILE A 36 -14.404 -3.731 -1.233 1.00 0.00 N ATOM 587 CA ILE A 36 -14.278 -2.777 -2.331 1.00 0.00 C ATOM 588 C ILE A 36 -13.042 -1.896 -2.142 1.00 0.00 C ATOM 589 O ILE A 36 -12.372 -1.530 -3.106 1.00 0.00 O ATOM 590 CB ILE A 36 -15.548 -1.902 -2.457 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.692 -2.715 -3.077 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.285 -0.647 -3.285 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.284 -3.529 -4.289 1.00 0.00 C ATOM 0 H ILE A 36 -15.248 -3.619 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.163 -3.344 -3.254 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.835 -1.585 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.098 -3.387 -2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.494 -2.035 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.199 -0.057 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.504 -0.054 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.963 -0.933 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.148 -4.075 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.906 -2.863 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.504 -4.236 -4.007 1.00 0.00 H new ATOM 605 N LEU A 37 -12.730 -1.581 -0.892 1.00 0.00 N ATOM 606 CA LEU A 37 -11.554 -0.783 -0.581 1.00 0.00 C ATOM 607 C LEU A 37 -10.286 -1.542 -0.962 1.00 0.00 C ATOM 608 O LEU A 37 -9.370 -0.975 -1.555 1.00 0.00 O ATOM 609 CB LEU A 37 -11.535 -0.410 0.900 1.00 0.00 C ATOM 610 CG LEU A 37 -10.153 -0.091 1.464 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.736 1.325 1.108 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.132 -0.291 2.968 1.00 0.00 C ATOM 0 H LEU A 37 -13.275 -1.866 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.594 0.138 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.181 0.455 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.964 -1.232 1.472 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.436 -0.778 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.748 1.528 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.705 1.434 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.455 2.031 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.139 -0.059 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.864 0.369 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.378 -1.327 3.201 1.00 0.00 H new ATOM 624 N ARG A 38 -10.251 -2.827 -0.630 1.00 0.00 N ATOM 625 CA ARG A 38 -9.134 -3.684 -1.003 1.00 0.00 C ATOM 626 C ARG A 38 -9.010 -3.755 -2.522 1.00 0.00 C ATOM 627 O ARG A 38 -7.910 -3.720 -3.074 1.00 0.00 O ATOM 628 CB ARG A 38 -9.336 -5.088 -0.433 1.00 0.00 C ATOM 629 CG ARG A 38 -8.379 -6.123 -0.997 1.00 0.00 C ATOM 630 CD ARG A 38 -8.601 -7.484 -0.365 1.00 0.00 C ATOM 631 NE ARG A 38 -9.240 -8.419 -1.287 1.00 0.00 N ATOM 632 CZ ARG A 38 -9.567 -9.669 -0.973 1.00 0.00 C ATOM 633 NH1 ARG A 38 -9.297 -10.141 0.239 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.165 -10.441 -1.872 1.00 0.00 N ATOM 0 H ARG A 38 -10.985 -3.299 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.217 -3.262 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.218 -5.050 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.359 -5.407 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.513 -6.195 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.351 -5.803 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.644 -7.893 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.220 -7.373 0.526 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.448 -8.093 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.839 -9.545 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.548 -11.100 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.373 -10.075 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.417 -11.400 -1.634 1.00 0.00 H new ATOM 648 N GLN A 39 -10.155 -3.844 -3.186 1.00 0.00 N ATOM 649 CA GLN A 39 -10.210 -3.898 -4.639 1.00 0.00 C ATOM 650 C GLN A 39 -9.685 -2.599 -5.249 1.00 0.00 C ATOM 651 O GLN A 39 -9.044 -2.606 -6.299 1.00 0.00 O ATOM 652 CB GLN A 39 -11.646 -4.155 -5.091 1.00 0.00 C ATOM 653 CG GLN A 39 -11.856 -5.530 -5.690 1.00 0.00 C ATOM 654 CD GLN A 39 -13.190 -5.662 -6.391 1.00 0.00 C ATOM 655 OE1 GLN A 39 -13.575 -4.806 -7.187 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.908 -6.734 -6.100 1.00 0.00 N ATOM 0 H GLN A 39 -11.068 -3.881 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.575 -4.714 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.314 -4.034 -4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.927 -3.401 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.055 -5.740 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.788 -6.280 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.553 -7.420 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.817 -6.874 -6.541 1.00 0.00 H new ATOM 665 N ARG A 40 -9.954 -1.487 -4.579 1.00 0.00 N ATOM 666 CA ARG A 40 -9.468 -0.190 -5.029 1.00 0.00 C ATOM 667 C ARG A 40 -7.978 -0.052 -4.746 1.00 0.00 C ATOM 668 O ARG A 40 -7.269 0.675 -5.439 1.00 0.00 O ATOM 669 CB ARG A 40 -10.239 0.940 -4.347 1.00 0.00 C ATOM 670 CG ARG A 40 -11.556 1.265 -5.014 1.00 0.00 C ATOM 671 CD ARG A 40 -11.352 1.908 -6.377 1.00 0.00 C ATOM 672 NE ARG A 40 -12.175 1.274 -7.403 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.797 1.091 -8.670 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.600 1.499 -9.083 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.615 0.486 -9.519 1.00 0.00 N ATOM 0 H ARG A 40 -10.506 -1.457 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.628 -0.121 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.425 0.666 -3.309 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.618 1.836 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.142 0.353 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.131 1.937 -4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.596 2.969 -6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.301 1.838 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.103 0.948 -7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.963 1.955 -8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.319 1.355 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.529 0.162 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.330 0.344 -10.488 1.00 0.00 H new ATOM 689 N TRP A 41 -7.511 -0.768 -3.729 1.00 0.00 N ATOM 690 CA TRP A 41 -6.101 -0.763 -3.355 1.00 0.00 C ATOM 691 C TRP A 41 -5.239 -1.291 -4.499 1.00 0.00 C ATOM 692 O TRP A 41 -4.078 -0.905 -4.653 1.00 0.00 O ATOM 693 CB TRP A 41 -5.893 -1.607 -2.095 1.00 0.00 C ATOM 694 CG TRP A 41 -5.701 -0.782 -0.867 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.542 0.173 -0.381 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.586 -0.832 0.026 1.00 0.00 C ATOM 697 NE1 TRP A 41 -6.016 0.725 0.756 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.817 0.124 1.030 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.416 -1.593 0.075 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.919 0.343 2.068 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.525 -1.376 1.105 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.784 -0.419 2.091 1.00 0.00 C ATOM 0 H TRP A 41 -8.095 -1.365 -3.144 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.798 0.263 -3.147 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.754 -2.261 -1.956 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.024 -2.250 -2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.485 0.453 -0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.448 1.465 1.310 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.213 -2.338 -0.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.110 1.087 2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.614 -1.954 1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.071 -0.278 2.890 1.00 0.00 H new ATOM 713 N LEU A 42 -5.830 -2.160 -5.310 1.00 0.00 N ATOM 714 CA LEU A 42 -5.147 -2.745 -6.457 1.00 0.00 C ATOM 715 C LEU A 42 -4.817 -1.694 -7.518 1.00 0.00 C ATOM 716 O LEU A 42 -3.930 -1.903 -8.345 1.00 0.00 O ATOM 717 CB LEU A 42 -6.011 -3.843 -7.080 1.00 0.00 C ATOM 718 CG LEU A 42 -6.621 -4.839 -6.091 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.622 -5.743 -6.798 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.534 -5.665 -5.426 1.00 0.00 C ATOM 0 H LEU A 42 -6.792 -2.478 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.210 -3.170 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.819 -3.372 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.405 -4.395 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.147 -4.279 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.047 -6.446 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.419 -5.137 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.117 -6.295 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.987 -6.367 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.980 -6.216 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.853 -5.005 -4.888 1.00 0.00 H new ATOM 732 N THR A 43 -5.523 -0.567 -7.483 1.00 0.00 N ATOM 733 CA THR A 43 -5.337 0.503 -8.461 1.00 0.00 C ATOM 734 C THR A 43 -3.904 1.044 -8.447 1.00 0.00 C ATOM 735 O THR A 43 -3.344 1.372 -9.493 1.00 0.00 O ATOM 736 CB THR A 43 -6.339 1.655 -8.201 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.664 1.228 -8.544 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.986 2.907 -8.998 1.00 0.00 C ATOM 0 H THR A 43 -6.236 -0.370 -6.781 1.00 0.00 H new ATOM 0 HA THR A 43 -5.525 0.078 -9.447 1.00 0.00 H new ATOM 0 HB THR A 43 -6.287 1.907 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.111 0.875 -7.746 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.714 3.690 -8.786 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.991 3.250 -8.715 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.001 2.676 -10.063 1.00 0.00 H new ATOM 746 N ALA A 44 -3.305 1.114 -7.264 1.00 0.00 N ATOM 747 CA ALA A 44 -1.967 1.672 -7.122 1.00 0.00 C ATOM 748 C ALA A 44 -0.897 0.687 -7.572 1.00 0.00 C ATOM 749 O ALA A 44 0.106 1.071 -8.174 1.00 0.00 O ATOM 750 CB ALA A 44 -1.722 2.080 -5.683 1.00 0.00 C ATOM 0 H ALA A 44 -3.724 0.792 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.905 2.550 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.719 2.496 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.455 2.831 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.816 1.207 -5.036 1.00 0.00 H new ATOM 756 N ILE A 45 -1.117 -0.583 -7.276 1.00 0.00 N ATOM 757 CA ILE A 45 -0.134 -1.618 -7.566 1.00 0.00 C ATOM 758 C ILE A 45 -0.275 -2.135 -8.993 1.00 0.00 C ATOM 759 O ILE A 45 0.656 -2.724 -9.544 1.00 0.00 O ATOM 760 CB ILE A 45 -0.252 -2.810 -6.591 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.563 -2.754 -5.802 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.934 -2.832 -5.642 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.919 -4.059 -5.125 1.00 0.00 C ATOM 0 H ILE A 45 -1.970 -0.925 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 45 0.845 -1.154 -7.443 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.253 -3.728 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.490 -1.971 -5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.371 -2.472 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.839 -3.677 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.856 -2.930 -6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.959 -1.905 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.859 -3.944 -4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.025 -4.842 -5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.130 -4.333 -4.425 1.00 0.00 H new ATOM 775 N GLY A 46 -1.444 -1.915 -9.582 1.00 0.00 N ATOM 776 CA GLY A 46 -1.712 -2.423 -10.912 1.00 0.00 C ATOM 777 C GLY A 46 -1.892 -3.924 -10.905 1.00 0.00 C ATOM 778 O GLY A 46 -1.666 -4.597 -11.910 1.00 0.00 O ATOM 0 H GLY A 46 -2.212 -1.393 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.610 -1.950 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.890 -2.157 -11.577 1.00 0.00 H new ATOM 782 N ARG A 47 -2.312 -4.449 -9.765 1.00 0.00 N ATOM 783 CA ARG A 47 -2.456 -5.886 -9.595 1.00 0.00 C ATOM 784 C ARG A 47 -3.921 -6.258 -9.440 1.00 0.00 C ATOM 785 O ARG A 47 -4.805 -5.408 -9.553 1.00 0.00 O ATOM 786 CB ARG A 47 -1.661 -6.370 -8.378 1.00 0.00 C ATOM 787 CG ARG A 47 -0.188 -6.007 -8.431 1.00 0.00 C ATOM 788 CD ARG A 47 0.680 -7.120 -7.865 1.00 0.00 C ATOM 789 NE ARG A 47 2.030 -6.648 -7.555 1.00 0.00 N ATOM 790 CZ ARG A 47 3.051 -6.662 -8.416 1.00 0.00 C ATOM 791 NH1 ARG A 47 2.892 -7.137 -9.647 1.00 0.00 N ATOM 792 NH2 ARG A 47 4.234 -6.197 -8.039 1.00 0.00 N ATOM 0 H ARG A 47 -2.560 -3.900 -8.942 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.060 -6.374 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.099 -5.944 -7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.757 -7.453 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.102 -5.807 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.018 -5.089 -7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.218 -7.519 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.736 -7.938 -8.583 1.00 0.00 H new ATOM 0 HE ARG A 47 2.203 -6.284 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.984 -7.495 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.678 -7.143 -10.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.361 -5.831 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.017 -6.205 -8.693 1.00 0.00 H new ATOM 806 N THR A 48 -4.169 -7.529 -9.191 1.00 0.00 N ATOM 807 CA THR A 48 -5.514 -8.022 -8.988 1.00 0.00 C ATOM 808 C THR A 48 -5.595 -8.775 -7.662 1.00 0.00 C ATOM 809 O THR A 48 -4.621 -8.816 -6.912 1.00 0.00 O ATOM 810 CB THR A 48 -5.945 -8.941 -10.148 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.963 -8.896 -11.192 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.297 -8.517 -10.702 1.00 0.00 C ATOM 0 H THR A 48 -3.446 -8.245 -9.124 1.00 0.00 H new ATOM 0 HA THR A 48 -6.193 -7.170 -8.960 1.00 0.00 H new ATOM 0 HB THR A 48 -6.030 -9.959 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.240 -9.483 -11.927 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.580 -9.180 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.047 -8.573 -9.913 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.234 -7.493 -11.071 1.00 0.00 H new ATOM 820 N GLU A 49 -6.741 -9.379 -7.388 1.00 0.00 N ATOM 821 CA GLU A 49 -6.975 -10.051 -6.110 1.00 0.00 C ATOM 822 C GLU A 49 -6.177 -11.347 -6.019 1.00 0.00 C ATOM 823 O GLU A 49 -5.843 -11.811 -4.929 1.00 0.00 O ATOM 824 CB GLU A 49 -8.465 -10.341 -5.932 1.00 0.00 C ATOM 825 CG GLU A 49 -9.329 -9.089 -5.931 1.00 0.00 C ATOM 826 CD GLU A 49 -10.149 -8.946 -4.666 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.090 -9.743 -4.468 1.00 0.00 O ATOM 828 OE2 GLU A 49 -9.858 -8.046 -3.856 1.00 0.00 O ATOM 0 H GLU A 49 -7.529 -9.420 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.642 -9.387 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.797 -11.002 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.614 -10.877 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.692 -8.212 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.997 -9.113 -6.792 1.00 0.00 H new ATOM 835 N GLU A 50 -5.868 -11.923 -7.170 1.00 0.00 N ATOM 836 CA GLU A 50 -5.073 -13.142 -7.226 1.00 0.00 C ATOM 837 C GLU A 50 -3.595 -12.816 -7.061 1.00 0.00 C ATOM 838 O GLU A 50 -2.792 -13.674 -6.698 1.00 0.00 O ATOM 839 CB GLU A 50 -5.306 -13.860 -8.551 1.00 0.00 C ATOM 840 CG GLU A 50 -6.769 -14.160 -8.819 1.00 0.00 C ATOM 841 CD GLU A 50 -7.206 -15.479 -8.220 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.803 -16.534 -8.745 1.00 0.00 O ATOM 843 OE2 GLU A 50 -7.963 -15.467 -7.224 1.00 0.00 O ATOM 0 H GLU A 50 -6.156 -11.566 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.380 -13.797 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.913 -13.248 -9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.744 -14.794 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.383 -13.357 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.942 -14.177 -9.895 1.00 0.00 H new ATOM 850 N THR A 51 -3.252 -11.562 -7.313 1.00 0.00 N ATOM 851 CA THR A 51 -1.881 -11.096 -7.209 1.00 0.00 C ATOM 852 C THR A 51 -1.710 -10.209 -5.981 1.00 0.00 C ATOM 853 O THR A 51 -0.794 -9.395 -5.905 1.00 0.00 O ATOM 854 CB THR A 51 -1.487 -10.303 -8.467 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.666 -9.852 -9.151 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.664 -11.161 -9.407 1.00 0.00 C ATOM 0 H THR A 51 -3.916 -10.841 -7.595 1.00 0.00 H new ATOM 0 HA THR A 51 -1.234 -11.968 -7.115 1.00 0.00 H new ATOM 0 HB THR A 51 -0.890 -9.446 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.487 -9.802 -10.113 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.397 -10.580 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.243 -11.489 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.246 -12.032 -9.708 1.00 0.00 H new ATOM 864 N VAL A 52 -2.609 -10.371 -5.022 1.00 0.00 N ATOM 865 CA VAL A 52 -2.592 -9.564 -3.815 1.00 0.00 C ATOM 866 C VAL A 52 -2.916 -10.437 -2.597 1.00 0.00 C ATOM 867 O VAL A 52 -3.145 -11.638 -2.750 1.00 0.00 O ATOM 868 CB VAL A 52 -3.587 -8.377 -3.935 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.994 -8.769 -3.506 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.091 -7.175 -3.143 1.00 0.00 C ATOM 0 H VAL A 52 -3.362 -11.058 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.594 -9.147 -3.683 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.637 -8.099 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.657 -7.910 -3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.354 -9.581 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.979 -9.097 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.803 -6.356 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.993 -7.447 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.121 -6.861 -3.528 1.00 0.00 H new ATOM 880 N VAL A 53 -2.925 -9.819 -1.409 1.00 0.00 N ATOM 881 CA VAL A 53 -3.209 -10.492 -0.126 1.00 0.00 C ATOM 882 C VAL A 53 -2.607 -11.899 -0.042 1.00 0.00 C ATOM 883 O VAL A 53 -3.303 -12.884 0.210 1.00 0.00 O ATOM 884 CB VAL A 53 -4.727 -10.537 0.214 1.00 0.00 C ATOM 885 CG1 VAL A 53 -5.220 -9.153 0.605 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.567 -11.101 -0.930 1.00 0.00 C ATOM 0 H VAL A 53 -2.733 -8.823 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.717 -9.873 0.625 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.847 -11.215 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.283 -9.199 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.670 -8.804 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.061 -8.463 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.618 -11.110 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.440 -10.478 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.243 -12.118 -1.152 1.00 0.00 H new ATOM 896 N SER A 54 -1.301 -11.975 -0.248 1.00 0.00 N ATOM 897 CA SER A 54 -0.574 -13.234 -0.163 1.00 0.00 C ATOM 898 C SER A 54 0.804 -12.984 0.448 1.00 0.00 C ATOM 899 O SER A 54 0.951 -12.920 1.669 1.00 0.00 O ATOM 900 CB SER A 54 -0.445 -13.857 -1.556 1.00 0.00 C ATOM 901 OG SER A 54 -0.329 -12.847 -2.546 1.00 0.00 O ATOM 0 H SER A 54 -0.717 -11.171 -0.478 1.00 0.00 H new ATOM 0 HA SER A 54 -1.120 -13.930 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.428 -14.509 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.315 -14.479 -1.764 1.00 0.00 H new ATOM 0 HG SER A 54 -1.213 -12.465 -2.729 1.00 0.00 H new ATOM 907 N GLN A 55 1.806 -12.824 -0.406 1.00 0.00 N ATOM 908 CA GLN A 55 3.134 -12.418 0.038 1.00 0.00 C ATOM 909 C GLN A 55 3.357 -10.960 -0.336 1.00 0.00 C ATOM 910 O GLN A 55 4.444 -10.404 -0.157 1.00 0.00 O ATOM 911 CB GLN A 55 4.214 -13.307 -0.585 1.00 0.00 C ATOM 912 CG GLN A 55 4.995 -14.122 0.436 1.00 0.00 C ATOM 913 CD GLN A 55 5.899 -13.263 1.302 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.465 -12.679 2.294 1.00 0.00 O ATOM 915 NE2 GLN A 55 7.172 -13.196 0.948 1.00 0.00 N ATOM 0 H GLN A 55 1.725 -12.969 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 55 3.201 -12.530 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.747 -13.986 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.908 -12.682 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.297 -14.664 1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.597 -14.867 -0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.498 -13.693 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.828 -12.647 1.504 1.00 0.00 H new ATOM 924 N LEU A 56 2.302 -10.359 -0.867 1.00 0.00 N ATOM 925 CA LEU A 56 2.308 -8.959 -1.249 1.00 0.00 C ATOM 926 C LEU A 56 1.997 -8.084 -0.045 1.00 0.00 C ATOM 927 O LEU A 56 0.954 -8.239 0.591 1.00 0.00 O ATOM 928 CB LEU A 56 1.273 -8.711 -2.348 1.00 0.00 C ATOM 929 CG LEU A 56 1.761 -7.862 -3.519 1.00 0.00 C ATOM 930 CD1 LEU A 56 2.263 -8.744 -4.651 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.653 -6.943 -4.011 1.00 0.00 C ATOM 0 H LEU A 56 1.416 -10.832 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 56 3.299 -8.705 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.937 -9.674 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.404 -8.225 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 56 2.591 -7.247 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.606 -8.118 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.089 -9.359 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.454 -9.388 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.020 -6.346 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.197 -7.541 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.342 -6.283 -3.202 1.00 0.00 H new ATOM 943 N ARG A 57 2.904 -7.177 0.271 1.00 0.00 N ATOM 944 CA ARG A 57 2.716 -6.261 1.380 1.00 0.00 C ATOM 945 C ARG A 57 2.989 -4.841 0.908 1.00 0.00 C ATOM 946 O ARG A 57 3.879 -4.618 0.094 1.00 0.00 O ATOM 947 CB ARG A 57 3.638 -6.624 2.542 1.00 0.00 C ATOM 948 CG ARG A 57 3.220 -7.889 3.269 1.00 0.00 C ATOM 949 CD ARG A 57 3.006 -7.630 4.748 1.00 0.00 C ATOM 950 NE ARG A 57 3.924 -8.416 5.572 1.00 0.00 N ATOM 951 CZ ARG A 57 4.167 -8.186 6.863 1.00 0.00 C ATOM 952 NH1 ARG A 57 3.573 -7.179 7.496 1.00 0.00 N ATOM 953 NH2 ARG A 57 5.027 -8.955 7.521 1.00 0.00 N ATOM 0 H ARG A 57 3.784 -7.055 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 57 1.688 -6.334 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.653 -6.749 2.166 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.660 -5.796 3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.301 -8.277 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.984 -8.655 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.147 -6.569 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.978 -7.873 5.015 1.00 0.00 H new ATOM 0 HE ARG A 57 4.412 -9.194 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.924 -6.573 6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.766 -7.012 8.484 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.500 -9.719 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.215 -8.781 8.508 1.00 0.00 H new ATOM 967 N ILE A 58 2.214 -3.889 1.395 1.00 0.00 N ATOM 968 CA ILE A 58 2.331 -2.517 0.923 1.00 0.00 C ATOM 969 C ILE A 58 2.980 -1.627 1.974 1.00 0.00 C ATOM 970 O ILE A 58 2.503 -1.535 3.107 1.00 0.00 O ATOM 971 CB ILE A 58 0.956 -1.933 0.528 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.237 -2.868 -0.454 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.115 -0.542 -0.075 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.029 -3.175 -1.709 1.00 0.00 C ATOM 0 H ILE A 58 1.502 -4.036 2.111 1.00 0.00 H new ATOM 0 HA ILE A 58 2.966 -2.540 0.037 1.00 0.00 H new ATOM 0 HB ILE A 58 0.349 -1.847 1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.006 -3.804 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.714 -2.417 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.135 -0.149 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.582 0.120 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.741 -0.601 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.452 -3.841 -2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.238 -2.248 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.968 -3.657 -1.438 1.00 0.00 H new ATOM 986 N CYS A 59 4.079 -0.993 1.592 1.00 0.00 N ATOM 987 CA CYS A 59 4.788 -0.073 2.465 1.00 0.00 C ATOM 988 C CYS A 59 3.940 1.148 2.792 1.00 0.00 C ATOM 989 O CYS A 59 3.157 1.620 1.963 1.00 0.00 O ATOM 990 CB CYS A 59 6.085 0.368 1.797 1.00 0.00 C ATOM 991 SG CYS A 59 6.887 -0.962 0.850 1.00 0.00 S ATOM 0 H CYS A 59 4.502 -1.102 0.670 1.00 0.00 H new ATOM 0 HA CYS A 59 5.008 -0.592 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.877 1.206 1.131 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.775 0.730 2.559 1.00 0.00 H new ATOM 0 HG CYS A 59 6.893 -2.054 1.555 1.00 0.00 H new ATOM 996 N SER A 60 4.129 1.680 3.989 1.00 0.00 N ATOM 997 CA SER A 60 3.413 2.868 4.420 1.00 0.00 C ATOM 998 C SER A 60 3.997 4.120 3.760 1.00 0.00 C ATOM 999 O SER A 60 3.506 5.228 3.956 1.00 0.00 O ATOM 1000 CB SER A 60 3.493 2.981 5.941 1.00 0.00 C ATOM 1001 OG SER A 60 4.348 1.980 6.469 1.00 0.00 O ATOM 0 H SER A 60 4.776 1.305 4.682 1.00 0.00 H new ATOM 0 HA SER A 60 2.369 2.785 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.863 3.968 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.497 2.881 6.372 1.00 0.00 H new ATOM 0 HG SER A 60 3.923 1.102 6.372 1.00 0.00 H new ATOM 1007 N ALA A 61 5.049 3.928 2.968 1.00 0.00 N ATOM 1008 CA ALA A 61 5.684 5.028 2.252 1.00 0.00 C ATOM 1009 C ALA A 61 4.929 5.332 0.966 1.00 0.00 C ATOM 1010 O ALA A 61 5.232 6.292 0.262 1.00 0.00 O ATOM 1011 CB ALA A 61 7.135 4.691 1.946 1.00 0.00 C ATOM 0 H ALA A 61 5.480 3.018 2.806 1.00 0.00 H new ATOM 0 HA ALA A 61 5.658 5.914 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.596 5.521 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.672 4.516 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.178 3.794 1.329 1.00 0.00 H new ATOM 1017 N HIS A 62 3.936 4.506 0.673 1.00 0.00 N ATOM 1018 CA HIS A 62 3.132 4.664 -0.530 1.00 0.00 C ATOM 1019 C HIS A 62 1.861 5.450 -0.217 1.00 0.00 C ATOM 1020 O HIS A 62 0.871 5.361 -0.939 1.00 0.00 O ATOM 1021 CB HIS A 62 2.777 3.289 -1.115 1.00 0.00 C ATOM 1022 CG HIS A 62 3.966 2.498 -1.580 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.672 1.516 -0.951 1.00 0.00 N flip ATOM 1024 CD2 HIS A 62 4.573 2.677 -2.811 1.00 0.00 C flip ATOM 1025 CE1 HIS A 62 5.693 1.097 -1.793 1.00 0.00 C flip ATOM 1026 NE2 HIS A 62 5.601 1.811 -2.893 1.00 0.00 N flip ATOM 0 H HIS A 62 3.666 3.714 1.256 1.00 0.00 H new ATOM 0 HA HIS A 62 3.712 5.219 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.242 2.712 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.095 3.427 -1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.275 3.385 -3.570 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.424 0.330 -1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 62 6.222 1.721 -3.697 1.00 0.00 H new ATOM 1034 N PHE A 63 1.900 6.216 0.868 1.00 0.00 N ATOM 1035 CA PHE A 63 0.745 6.986 1.317 1.00 0.00 C ATOM 1036 C PHE A 63 1.160 8.395 1.698 1.00 0.00 C ATOM 1037 O PHE A 63 2.310 8.629 2.071 1.00 0.00 O ATOM 1038 CB PHE A 63 0.092 6.329 2.536 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.400 4.935 2.290 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.461 3.856 2.402 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.722 4.706 1.950 1.00 0.00 C ATOM 1042 CE1 PHE A 63 0.013 2.574 2.177 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.173 3.425 1.725 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.304 2.359 1.838 1.00 0.00 C ATOM 0 H PHE A 63 2.726 6.321 1.457 1.00 0.00 H new ATOM 0 HA PHE A 63 0.033 7.018 0.492 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.812 6.310 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.745 6.946 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.494 4.022 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.405 5.538 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.693 1.739 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.206 3.254 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.658 1.354 1.660 1.00 0.00 H new ATOM 1054 N GLU A 64 0.224 9.326 1.606 1.00 0.00 N ATOM 1055 CA GLU A 64 0.446 10.673 2.100 1.00 0.00 C ATOM 1056 C GLU A 64 0.462 10.659 3.623 1.00 0.00 C ATOM 1057 O GLU A 64 -0.550 10.370 4.263 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.640 11.622 1.592 1.00 0.00 C ATOM 1059 CG GLU A 64 -0.245 12.370 0.329 1.00 0.00 C ATOM 1060 CD GLU A 64 0.694 13.530 0.600 1.00 0.00 C ATOM 1061 OE1 GLU A 64 1.605 13.387 1.442 1.00 0.00 O ATOM 1062 OE2 GLU A 64 0.531 14.591 -0.036 1.00 0.00 O ATOM 0 H GLU A 64 -0.696 9.172 1.194 1.00 0.00 H new ATOM 0 HA GLU A 64 1.408 11.030 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.549 11.052 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.876 12.344 2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.232 11.677 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.144 12.743 -0.162 1.00 0.00 H new ATOM 1069 N GLY A 65 1.620 10.935 4.198 1.00 0.00 N ATOM 1070 CA GLY A 65 1.770 10.875 5.639 1.00 0.00 C ATOM 1071 C GLY A 65 2.216 9.501 6.101 1.00 0.00 C ATOM 1072 O GLY A 65 3.020 9.375 7.030 1.00 0.00 O ATOM 0 H GLY A 65 2.464 11.201 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.497 11.621 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.822 11.129 6.114 1.00 0.00 H new ATOM 1076 N GLY A 66 1.693 8.470 5.453 1.00 0.00 N ATOM 1077 CA GLY A 66 2.099 7.112 5.761 1.00 0.00 C ATOM 1078 C GLY A 66 1.058 6.348 6.554 1.00 0.00 C ATOM 1079 O GLY A 66 1.196 5.141 6.768 1.00 0.00 O ATOM 0 H GLY A 66 0.992 8.549 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.302 6.580 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.031 7.137 6.325 1.00 0.00 H new ATOM 1083 N GLU A 67 0.013 7.039 6.980 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.020 6.426 7.805 1.00 0.00 C ATOM 1085 C GLU A 67 -2.188 5.942 6.954 1.00 0.00 C ATOM 1086 O GLU A 67 -2.812 6.724 6.236 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.527 7.409 8.866 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.172 8.859 8.584 1.00 0.00 C ATOM 1089 CD GLU A 67 -0.932 9.649 9.850 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -1.917 9.991 10.537 1.00 0.00 O ATOM 1091 OE2 GLU A 67 0.240 9.928 10.168 1.00 0.00 O ATOM 0 H GLU A 67 -0.144 8.025 6.769 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.572 5.567 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.611 7.319 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.115 7.126 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.279 8.897 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.978 9.324 8.016 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.470 4.650 7.038 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.590 4.053 6.324 1.00 0.00 C ATOM 1100 C LYS A 68 -4.857 4.111 7.169 1.00 0.00 C ATOM 1101 O LYS A 68 -4.944 3.470 8.220 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.263 2.598 5.960 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.484 1.736 5.663 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.361 0.354 6.290 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.441 0.418 7.810 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.740 -0.084 8.333 1.00 0.00 N ATOM 0 H LYS A 68 -1.933 3.989 7.599 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.761 4.620 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.608 2.592 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.705 2.147 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.379 2.229 6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.607 1.637 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.154 -0.290 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.414 -0.098 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.629 -0.169 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.296 1.448 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.615 -0.419 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.441 0.684 8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.074 -0.869 7.738 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.817 4.909 6.734 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.147 4.867 7.312 1.00 0.00 C ATOM 1122 C LYS A 69 -7.959 3.809 6.584 1.00 0.00 C ATOM 1123 O LYS A 69 -7.519 3.286 5.556 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.843 6.226 7.198 1.00 0.00 C ATOM 1125 CG LYS A 69 -7.313 7.273 8.164 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.799 8.666 7.790 1.00 0.00 C ATOM 1127 CE LYS A 69 -7.327 9.707 8.788 1.00 0.00 C ATOM 1128 NZ LYS A 69 -6.007 10.278 8.413 1.00 0.00 N ATOM 0 H LYS A 69 -5.700 5.591 5.985 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.067 4.622 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.731 6.596 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.911 6.092 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.635 7.033 9.177 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.223 7.253 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.436 8.924 6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.888 8.672 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.064 10.508 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.259 9.256 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.721 10.985 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.298 9.518 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.077 10.731 7.480 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.134 3.499 7.102 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.012 2.531 6.460 1.00 0.00 C ATOM 1144 C GLU A 70 -10.679 3.172 5.247 1.00 0.00 C ATOM 1145 O GLU A 70 -11.879 3.439 5.240 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.050 2.015 7.457 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.442 1.515 8.761 1.00 0.00 C ATOM 1148 CD GLU A 70 -9.347 0.482 8.542 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -9.667 -0.725 8.486 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -8.167 0.873 8.425 1.00 0.00 O ATOM 0 H GLU A 70 -9.504 3.901 7.963 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.426 1.677 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.758 2.813 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.616 1.206 6.995 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.032 2.361 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.227 1.080 9.380 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.869 3.413 4.228 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.322 4.110 3.044 1.00 0.00 C ATOM 1159 C GLY A 71 -9.168 4.710 2.258 1.00 0.00 C ATOM 1160 O GLY A 71 -9.340 5.125 1.115 1.00 0.00 O ATOM 0 H GLY A 71 -8.889 3.132 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.874 3.420 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.014 4.901 3.332 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.986 4.758 2.866 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.808 5.306 2.197 1.00 0.00 C ATOM 1166 C ASP A 72 -6.213 4.291 1.242 1.00 0.00 C ATOM 1167 O ASP A 72 -5.767 3.228 1.662 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.737 5.728 3.209 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.998 7.103 3.778 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.299 8.026 2.997 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.917 7.264 5.011 1.00 0.00 O ATOM 0 H ASP A 72 -7.818 4.426 3.816 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.134 6.185 1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.701 5.002 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.759 5.716 2.727 1.00 0.00 H new ATOM 1176 N ILE A 73 -6.224 4.624 -0.037 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.611 3.792 -1.057 1.00 0.00 C ATOM 1178 C ILE A 73 -4.165 4.236 -1.258 1.00 0.00 C ATOM 1179 O ILE A 73 -3.865 5.419 -1.137 1.00 0.00 O ATOM 1180 CB ILE A 73 -6.387 3.905 -2.392 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.891 3.848 -2.129 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.976 2.810 -3.364 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.726 4.215 -3.335 1.00 0.00 C ATOM 0 H ILE A 73 -6.656 5.475 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.638 2.752 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.141 4.864 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.158 2.842 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.135 4.523 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.539 2.917 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.910 2.892 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.185 1.835 -2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.783 4.154 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.487 5.232 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.510 3.525 -4.151 1.00 0.00 H new ATOM 1195 N PRO A 74 -3.237 3.309 -1.527 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.843 3.665 -1.773 1.00 0.00 C ATOM 1197 C PRO A 74 -1.679 4.415 -3.091 1.00 0.00 C ATOM 1198 O PRO A 74 -2.574 4.411 -3.939 1.00 0.00 O ATOM 1199 CB PRO A 74 -1.126 2.314 -1.829 1.00 0.00 C ATOM 1200 CG PRO A 74 -2.183 1.337 -2.204 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.460 1.858 -1.612 1.00 0.00 C ATOM 0 HA PRO A 74 -1.446 4.330 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.319 2.325 -2.562 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.679 2.063 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.264 1.247 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.951 0.344 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.319 1.621 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.653 1.424 -0.631 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.547 5.072 -3.252 1.00 0.00 N ATOM 1210 CA VAL A 75 -0.222 5.736 -4.501 1.00 0.00 C ATOM 1211 C VAL A 75 1.222 5.428 -4.877 1.00 0.00 C ATOM 1212 O VAL A 75 2.025 5.060 -4.017 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.436 7.270 -4.429 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.887 7.620 -4.734 1.00 0.00 C ATOM 1215 CG2 VAL A 75 -0.019 7.819 -3.072 1.00 0.00 C ATOM 0 H VAL A 75 0.167 5.161 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.900 5.355 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 75 0.197 7.737 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.020 8.700 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.142 7.273 -5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.539 7.137 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.180 8.897 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.614 7.347 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.037 7.606 -2.902 1.00 0.00 H new ATOM 1225 N PRO A 76 1.574 5.550 -6.164 1.00 0.00 N ATOM 1226 CA PRO A 76 2.928 5.244 -6.636 1.00 0.00 C ATOM 1227 C PRO A 76 3.943 6.261 -6.128 1.00 0.00 C ATOM 1228 O PRO A 76 5.136 5.971 -6.016 1.00 0.00 O ATOM 1229 CB PRO A 76 2.802 5.310 -8.161 1.00 0.00 C ATOM 1230 CG PRO A 76 1.631 6.196 -8.416 1.00 0.00 C ATOM 1231 CD PRO A 76 0.690 6.000 -7.257 1.00 0.00 C ATOM 0 HA PRO A 76 3.285 4.278 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.708 5.713 -8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 76 2.647 4.319 -8.587 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.942 7.238 -8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.146 5.938 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.173 6.924 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -0.076 5.259 -7.484 1.00 0.00 H new ATOM 1239 N ASP A 77 3.441 7.446 -5.809 1.00 0.00 N ATOM 1240 CA ASP A 77 4.256 8.540 -5.307 1.00 0.00 C ATOM 1241 C ASP A 77 3.347 9.629 -4.763 1.00 0.00 C ATOM 1242 O ASP A 77 2.605 10.251 -5.518 1.00 0.00 O ATOM 1243 CB ASP A 77 5.143 9.101 -6.420 1.00 0.00 C ATOM 1244 CG ASP A 77 6.234 10.005 -5.890 1.00 0.00 C ATOM 1245 OD1 ASP A 77 5.905 11.007 -5.231 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.420 9.726 -6.148 1.00 0.00 O ATOM 0 H ASP A 77 2.451 7.675 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 77 4.902 8.171 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.595 8.276 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.526 9.657 -7.127 1.00 0.00 H new ATOM 1251 N PRO A 78 3.372 9.857 -3.445 1.00 0.00 N ATOM 1252 CA PRO A 78 2.523 10.862 -2.801 1.00 0.00 C ATOM 1253 C PRO A 78 2.824 12.275 -3.289 1.00 0.00 C ATOM 1254 O PRO A 78 1.979 13.164 -3.207 1.00 0.00 O ATOM 1255 CB PRO A 78 2.863 10.734 -1.311 1.00 0.00 C ATOM 1256 CG PRO A 78 3.518 9.402 -1.171 1.00 0.00 C ATOM 1257 CD PRO A 78 4.223 9.154 -2.473 1.00 0.00 C ATOM 0 HA PRO A 78 1.469 10.696 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.528 11.535 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.966 10.798 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.221 9.398 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.782 8.623 -0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.239 9.550 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.297 8.090 -2.696 1.00 0.00 H new ATOM 1265 N THR A 79 4.026 12.472 -3.804 1.00 0.00 N ATOM 1266 CA THR A 79 4.459 13.782 -4.245 1.00 0.00 C ATOM 1267 C THR A 79 4.247 13.967 -5.752 1.00 0.00 C ATOM 1268 O THR A 79 3.737 15.000 -6.194 1.00 0.00 O ATOM 1269 CB THR A 79 5.939 14.016 -3.884 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.573 12.771 -3.560 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.053 14.947 -2.693 1.00 0.00 C ATOM 0 H THR A 79 4.721 11.735 -3.926 1.00 0.00 H new ATOM 0 HA THR A 79 3.848 14.520 -3.726 1.00 0.00 H new ATOM 0 HB THR A 79 6.431 14.466 -4.746 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.651 12.223 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.105 15.102 -2.451 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.592 15.905 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.545 14.505 -1.836 1.00 0.00 H new ATOM 1279 N VAL A 80 4.620 12.959 -6.531 1.00 0.00 N ATOM 1280 CA VAL A 80 4.511 13.028 -7.985 1.00 0.00 C ATOM 1281 C VAL A 80 3.088 12.714 -8.451 1.00 0.00 C ATOM 1282 O VAL A 80 2.584 13.327 -9.393 1.00 0.00 O ATOM 1283 CB VAL A 80 5.506 12.062 -8.670 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.334 12.075 -10.182 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.938 12.417 -8.295 1.00 0.00 C ATOM 0 H VAL A 80 5.002 12.081 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 80 4.758 14.049 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 80 5.291 11.054 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.047 11.386 -10.635 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.320 11.766 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.512 13.082 -10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.624 11.727 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.156 13.436 -8.616 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.060 12.343 -7.214 1.00 0.00 H new ATOM 1295 N ASP A 81 2.435 11.766 -7.793 1.00 0.00 N ATOM 1296 CA ASP A 81 1.078 11.389 -8.170 1.00 0.00 C ATOM 1297 C ASP A 81 0.065 12.027 -7.232 1.00 0.00 C ATOM 1298 O ASP A 81 0.431 12.773 -6.322 1.00 0.00 O ATOM 1299 CB ASP A 81 0.908 9.867 -8.171 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.003 9.395 -9.289 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.238 9.383 -9.098 1.00 0.00 O ATOM 1302 OD2 ASP A 81 0.516 9.043 -10.372 1.00 0.00 O ATOM 0 H ASP A 81 2.818 11.247 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 81 0.900 11.754 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.884 9.394 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.500 9.548 -7.212 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.203 11.730 -7.448 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.260 12.300 -6.635 1.00 0.00 C ATOM 1309 C LYS A 82 -2.835 11.243 -5.706 1.00 0.00 C ATOM 1310 O LYS A 82 -3.559 10.353 -6.149 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.360 12.891 -7.522 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.236 14.396 -7.712 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.552 14.809 -9.140 1.00 0.00 C ATOM 1314 CE LYS A 82 -2.290 15.152 -9.917 1.00 0.00 C ATOM 1315 NZ LYS A 82 -2.453 16.396 -10.719 1.00 0.00 N ATOM 0 H LYS A 82 -1.526 11.097 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.840 13.104 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.331 12.405 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.332 12.666 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.913 14.906 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.225 14.713 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.082 14.001 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.220 15.671 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.458 15.274 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.035 14.324 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.571 16.595 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.230 16.271 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.671 17.191 -10.085 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.452 11.327 -4.432 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.971 10.454 -3.377 1.00 0.00 C ATOM 1331 C GLN A 83 -4.460 10.169 -3.562 1.00 0.00 C ATOM 1332 O GLN A 83 -5.302 11.063 -3.423 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.724 11.099 -2.008 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.472 10.440 -0.855 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.995 9.030 -0.572 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.850 8.815 -0.181 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.871 8.061 -0.773 1.00 0.00 N ATOM 0 H GLN A 83 -1.768 12.007 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.444 9.502 -3.436 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.655 11.071 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.011 12.149 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.352 11.046 0.043 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.537 10.419 -1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.812 8.283 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.606 7.091 -0.603 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.776 8.922 -3.888 1.00 0.00 N ATOM 1347 CA ILE A 84 -6.155 8.519 -4.062 1.00 0.00 C ATOM 1348 C ILE A 84 -6.675 7.870 -2.790 1.00 0.00 C ATOM 1349 O ILE A 84 -6.138 6.867 -2.334 1.00 0.00 O ATOM 1350 CB ILE A 84 -6.359 7.549 -5.251 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -5.144 6.638 -5.459 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -6.661 8.327 -6.521 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -5.507 5.246 -5.926 1.00 0.00 C ATOM 0 H ILE A 84 -4.094 8.178 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.716 9.427 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.210 6.911 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.478 7.096 -6.190 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.589 6.566 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.802 7.632 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.569 8.914 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.829 8.994 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.599 4.656 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.149 4.769 -5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.035 5.308 -6.878 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.694 8.462 -2.201 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.276 7.928 -0.982 1.00 0.00 C ATOM 1367 C LYS A 85 -9.792 8.019 -1.036 1.00 0.00 C ATOM 1368 O LYS A 85 -10.346 8.856 -1.750 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.737 8.675 0.241 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.034 10.167 0.241 1.00 0.00 C ATOM 1371 CD LYS A 85 -7.834 10.770 1.622 1.00 0.00 C ATOM 1372 CE LYS A 85 -8.875 10.264 2.608 1.00 0.00 C ATOM 1373 NZ LYS A 85 -8.255 9.562 3.764 1.00 0.00 N ATOM 0 H LYS A 85 -8.138 9.313 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.995 6.878 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.163 8.231 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.658 8.531 0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.384 10.669 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.060 10.336 -0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.837 10.524 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.891 11.857 1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.469 11.103 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.559 9.586 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.891 8.809 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.348 9.145 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.091 10.240 4.535 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.456 7.143 -0.303 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.904 7.173 -0.205 1.00 0.00 C ATOM 1389 C ILE A 86 -12.315 7.762 1.135 1.00 0.00 C ATOM 1390 O ILE A 86 -11.725 7.444 2.170 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.534 5.768 -0.354 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.717 4.902 -1.316 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.974 5.886 -0.839 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.634 3.447 -0.902 1.00 0.00 C ATOM 0 H ILE A 86 -10.013 6.399 0.235 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.269 7.792 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.530 5.285 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.159 4.963 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.708 5.308 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.407 4.891 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.554 6.463 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.992 6.389 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.040 2.895 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.165 3.374 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.637 3.024 -0.857 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.310 8.629 1.114 1.00 0.00 N ATOM 1407 CA GLU A 87 -13.794 9.248 2.334 1.00 0.00 C ATOM 1408 C GLU A 87 -14.772 8.323 3.041 1.00 0.00 C ATOM 1409 O GLU A 87 -15.763 7.888 2.454 1.00 0.00 O ATOM 1410 CB GLU A 87 -14.462 10.590 2.035 1.00 0.00 C ATOM 1411 CG GLU A 87 -14.427 11.554 3.209 1.00 0.00 C ATOM 1412 CD GLU A 87 -13.042 12.106 3.465 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -12.566 12.921 2.645 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -12.418 11.722 4.479 1.00 0.00 O ATOM 0 H GLU A 87 -13.798 8.920 0.267 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.940 9.428 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.968 11.051 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.499 10.416 1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.114 12.379 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.782 11.044 4.104 1.00 0.00 H new