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 69 LYS NZ :NH3+ -116:sc= 1.45 (180deg=0.746) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 157:sc= 2.24 (180deg=0.825) USER MOD Set 2.1: A 7 CYS SG : rot 96:sc= -2.8! USER MOD Set 2.2: A 12 CYS SG : rot 71:sc= 1.72 USER MOD Set 2.3: A 59 CYS SG : rot 151:sc= 1.63 USER MOD Set 2.4: A 62 HIS : no HE2:sc= -1.66! X(o=-1.1!,f=-1.5) USER MOD Single : A 6 THR OG1 : rot 17:sc= 0.433 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= 1.27 (180deg=-0.306) USER MOD Single : A 26 HIS : no HD1:sc= -0.011 K(o=-0.011,f=-1.4) USER MOD Single : A 28 TYR OH : rot 165:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 54 SER OG : rot 180:sc= -0.137 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 60 SER OG : rot -70:sc= 1.15 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 82 LYS NZ :NH3+ -101:sc= 1.23 (180deg=-0.0806) USER MOD Single : A 83 GLN : amide:sc= 1.68 K(o=1.7,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 6 9.567 -8.136 1.350 1.00 0.00 N ATOM 67 CA THR A 6 9.480 -7.635 -0.013 1.00 0.00 C ATOM 68 C THR A 6 8.199 -6.827 -0.227 1.00 0.00 C ATOM 69 O THR A 6 7.124 -7.221 0.228 1.00 0.00 O ATOM 70 CB THR A 6 9.513 -8.801 -1.018 1.00 0.00 C ATOM 71 OG1 THR A 6 10.451 -9.791 -0.576 1.00 0.00 O ATOM 72 CG2 THR A 6 9.893 -8.320 -2.411 1.00 0.00 C ATOM 0 HA THR A 6 10.339 -6.984 -0.177 1.00 0.00 H new ATOM 0 HB THR A 6 8.514 -9.234 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.660 -9.645 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.907 -9.167 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.163 -7.587 -2.755 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.881 -7.861 -2.380 1.00 0.00 H new ATOM 80 N CYS A 7 8.332 -5.692 -0.906 1.00 0.00 N ATOM 81 CA CYS A 7 7.190 -4.874 -1.274 1.00 0.00 C ATOM 82 C CYS A 7 6.350 -5.601 -2.317 1.00 0.00 C ATOM 83 O CYS A 7 6.863 -6.422 -3.080 1.00 0.00 O ATOM 84 CB CYS A 7 7.672 -3.530 -1.830 1.00 0.00 C ATOM 85 SG CYS A 7 6.359 -2.287 -2.082 1.00 0.00 S ATOM 0 H CYS A 7 9.230 -5.318 -1.213 1.00 0.00 H new ATOM 0 HA CYS A 7 6.578 -4.692 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.417 -3.118 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.173 -3.706 -2.782 1.00 0.00 H new ATOM 0 HG CYS A 7 6.302 -1.500 -1.049 1.00 0.00 H new ATOM 90 N GLY A 8 5.066 -5.301 -2.345 1.00 0.00 N ATOM 91 CA GLY A 8 4.195 -5.875 -3.348 1.00 0.00 C ATOM 92 C GLY A 8 3.972 -4.922 -4.501 1.00 0.00 C ATOM 93 O GLY A 8 3.309 -5.259 -5.483 1.00 0.00 O ATOM 0 H GLY A 8 4.607 -4.668 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.629 -6.803 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.237 -6.131 -2.896 1.00 0.00 H new ATOM 97 N PHE A 9 4.543 -3.729 -4.380 1.00 0.00 N ATOM 98 CA PHE A 9 4.367 -2.684 -5.374 1.00 0.00 C ATOM 99 C PHE A 9 5.257 -2.921 -6.589 1.00 0.00 C ATOM 100 O PHE A 9 6.336 -3.503 -6.470 1.00 0.00 O ATOM 101 CB PHE A 9 4.695 -1.327 -4.750 1.00 0.00 C ATOM 102 CG PHE A 9 3.589 -0.326 -4.873 1.00 0.00 C ATOM 103 CD1 PHE A 9 2.493 -0.381 -4.030 1.00 0.00 C ATOM 104 CD2 PHE A 9 3.644 0.661 -5.836 1.00 0.00 C ATOM 105 CE1 PHE A 9 1.471 0.537 -4.144 1.00 0.00 C ATOM 106 CE2 PHE A 9 2.627 1.581 -5.957 1.00 0.00 C ATOM 107 CZ PHE A 9 1.538 1.521 -5.112 1.00 0.00 C ATOM 0 H PHE A 9 5.137 -3.463 -3.594 1.00 0.00 H new ATOM 0 HA PHE A 9 3.329 -2.698 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.929 -1.469 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.591 -0.926 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.438 -1.151 -3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.493 0.712 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.621 0.487 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.682 2.350 -6.714 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.739 2.242 -5.207 1.00 0.00 H new ATOM 117 N PRO A 10 4.802 -2.502 -7.779 1.00 0.00 N ATOM 118 CA PRO A 10 5.625 -2.526 -8.990 1.00 0.00 C ATOM 119 C PRO A 10 6.771 -1.518 -8.917 1.00 0.00 C ATOM 120 O PRO A 10 6.654 -0.394 -9.411 1.00 0.00 O ATOM 121 CB PRO A 10 4.644 -2.150 -10.106 1.00 0.00 C ATOM 122 CG PRO A 10 3.545 -1.413 -9.421 1.00 0.00 C ATOM 123 CD PRO A 10 3.442 -2.005 -8.043 1.00 0.00 C ATOM 0 HA PRO A 10 6.100 -3.495 -9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.125 -1.529 -10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.267 -3.037 -10.615 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.763 -0.346 -9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.606 -1.522 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.137 -1.260 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.707 -2.809 -8.006 1.00 0.00 H new ATOM 131 N ASN A 11 7.865 -1.947 -8.285 1.00 0.00 N ATOM 132 CA ASN A 11 9.069 -1.131 -8.093 1.00 0.00 C ATOM 133 C ASN A 11 8.901 -0.160 -6.932 1.00 0.00 C ATOM 134 O ASN A 11 8.370 0.942 -7.091 1.00 0.00 O ATOM 135 CB ASN A 11 9.468 -0.366 -9.362 1.00 0.00 C ATOM 136 CG ASN A 11 10.822 0.309 -9.223 1.00 0.00 C ATOM 137 OD1 ASN A 11 11.823 -0.344 -8.937 1.00 0.00 O ATOM 138 ND2 ASN A 11 10.866 1.619 -9.422 1.00 0.00 N ATOM 0 H ASN A 11 7.942 -2.883 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 11 9.874 -1.827 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.492 -1.054 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.710 0.385 -9.585 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.752 2.118 -9.339 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.014 2.128 -9.658 1.00 0.00 H new ATOM 145 N CYS A 12 9.357 -0.584 -5.761 1.00 0.00 N ATOM 146 CA CYS A 12 9.361 0.262 -4.584 1.00 0.00 C ATOM 147 C CYS A 12 10.531 1.240 -4.672 1.00 0.00 C ATOM 148 O CYS A 12 11.626 0.973 -4.173 1.00 0.00 O ATOM 149 CB CYS A 12 9.463 -0.599 -3.317 1.00 0.00 C ATOM 150 SG CYS A 12 9.120 0.289 -1.760 1.00 0.00 S ATOM 0 H CYS A 12 9.732 -1.520 -5.605 1.00 0.00 H new ATOM 0 HA CYS A 12 8.430 0.827 -4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.767 -1.433 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.465 -1.024 -3.263 1.00 0.00 H new ATOM 0 HG CYS A 12 7.851 0.562 -1.686 1.00 0.00 H new ATOM 155 N LYS A 13 10.296 2.367 -5.330 1.00 0.00 N ATOM 156 CA LYS A 13 11.327 3.385 -5.509 1.00 0.00 C ATOM 157 C LYS A 13 11.638 4.087 -4.191 1.00 0.00 C ATOM 158 O LYS A 13 12.589 4.865 -4.096 1.00 0.00 O ATOM 159 CB LYS A 13 10.886 4.413 -6.557 1.00 0.00 C ATOM 160 CG LYS A 13 9.472 4.937 -6.345 1.00 0.00 C ATOM 161 CD LYS A 13 9.444 6.458 -6.303 1.00 0.00 C ATOM 162 CE LYS A 13 9.576 7.057 -7.696 1.00 0.00 C ATOM 163 NZ LYS A 13 9.088 8.460 -7.749 1.00 0.00 N ATOM 0 H LYS A 13 9.397 2.602 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 13 12.233 2.888 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.581 5.253 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.952 3.961 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.826 4.582 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.070 4.538 -5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.512 6.793 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.255 6.821 -5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.620 7.025 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.013 6.451 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.596 8.622 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.431 8.629 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.895 9.111 -7.673 1.00 0.00 H new ATOM 177 N PHE A 14 10.840 3.794 -3.173 1.00 0.00 N ATOM 178 CA PHE A 14 10.995 4.426 -1.877 1.00 0.00 C ATOM 179 C PHE A 14 12.221 3.887 -1.157 1.00 0.00 C ATOM 180 O PHE A 14 13.022 4.653 -0.625 1.00 0.00 O ATOM 181 CB PHE A 14 9.738 4.217 -1.033 1.00 0.00 C ATOM 182 CG PHE A 14 8.762 5.349 -1.160 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.925 6.502 -0.413 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.689 5.264 -2.032 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.036 7.552 -0.533 1.00 0.00 C ATOM 186 CE2 PHE A 14 6.797 6.312 -2.155 1.00 0.00 C ATOM 187 CZ PHE A 14 6.972 7.456 -1.404 1.00 0.00 C ATOM 0 H PHE A 14 10.077 3.119 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 14 11.137 5.496 -2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.253 3.289 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.022 4.103 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.757 6.582 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.548 4.370 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.174 8.447 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.964 6.236 -2.838 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.276 8.276 -1.499 1.00 0.00 H new ATOM 197 N ARG A 15 12.388 2.572 -1.167 1.00 0.00 N ATOM 198 CA ARG A 15 13.523 1.955 -0.494 1.00 0.00 C ATOM 199 C ARG A 15 14.820 2.228 -1.253 1.00 0.00 C ATOM 200 O ARG A 15 15.905 2.210 -0.672 1.00 0.00 O ATOM 201 CB ARG A 15 13.311 0.447 -0.319 1.00 0.00 C ATOM 202 CG ARG A 15 12.847 -0.282 -1.570 1.00 0.00 C ATOM 203 CD ARG A 15 12.407 -1.704 -1.251 1.00 0.00 C ATOM 204 NE ARG A 15 11.138 -1.734 -0.529 1.00 0.00 N ATOM 205 CZ ARG A 15 10.869 -2.573 0.474 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.792 -3.435 0.901 1.00 0.00 N ATOM 207 NH2 ARG A 15 9.684 -2.542 1.071 1.00 0.00 N ATOM 0 H ARG A 15 11.758 1.916 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 15 13.603 2.402 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.246 -0.000 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.577 0.287 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.020 0.263 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.655 -0.305 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.311 -2.270 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.175 -2.196 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 15 10.413 -1.073 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.712 -3.457 0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.578 -4.073 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.975 -1.876 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.482 -3.184 1.837 1.00 0.00 H new ATOM 368 N ARG A 25 10.173 0.859 7.238 1.00 0.00 N ATOM 369 CA ARG A 25 8.824 1.362 7.432 1.00 0.00 C ATOM 370 C ARG A 25 7.924 0.258 7.983 1.00 0.00 C ATOM 371 O ARG A 25 8.387 -0.848 8.268 1.00 0.00 O ATOM 372 CB ARG A 25 8.270 1.885 6.102 1.00 0.00 C ATOM 373 CG ARG A 25 7.298 3.047 6.253 1.00 0.00 C ATOM 374 CD ARG A 25 7.912 4.363 5.804 1.00 0.00 C ATOM 375 NE ARG A 25 9.009 4.781 6.671 1.00 0.00 N ATOM 376 CZ ARG A 25 8.850 5.282 7.899 1.00 0.00 C ATOM 377 NH1 ARG A 25 7.632 5.534 8.373 1.00 0.00 N ATOM 378 NH2 ARG A 25 9.917 5.560 8.637 1.00 0.00 N ATOM 0 HA ARG A 25 8.849 2.180 8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.102 2.199 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.767 1.069 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.400 2.847 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.988 3.128 7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.277 4.262 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.144 5.136 5.794 1.00 0.00 H new ATOM 0 HE ARG A 25 9.960 4.684 6.316 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.811 5.345 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.519 5.917 9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.852 5.391 8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.802 5.943 9.575 1.00 0.00 H new ATOM 392 N HIS A 26 6.646 0.561 8.143 1.00 0.00 N ATOM 393 CA HIS A 26 5.679 -0.426 8.589 1.00 0.00 C ATOM 394 C HIS A 26 5.067 -1.124 7.382 1.00 0.00 C ATOM 395 O HIS A 26 4.612 -0.470 6.441 1.00 0.00 O ATOM 396 CB HIS A 26 4.580 0.240 9.419 1.00 0.00 C ATOM 397 CG HIS A 26 3.995 -0.650 10.472 1.00 0.00 C ATOM 398 ND1 HIS A 26 3.928 -2.010 10.305 1.00 0.00 N ATOM 399 CD2 HIS A 26 3.448 -0.324 11.669 1.00 0.00 C ATOM 400 CE1 HIS A 26 3.347 -2.480 11.392 1.00 0.00 C ATOM 401 NE2 HIS A 26 3.039 -1.496 12.248 1.00 0.00 N ATOM 0 H HIS A 26 6.254 1.487 7.970 1.00 0.00 H new ATOM 0 HA HIS A 26 6.188 -1.161 9.213 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.987 1.132 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.784 0.570 8.752 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.353 0.668 12.085 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.145 -3.526 11.570 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.587 -1.600 13.156 1.00 0.00 H new ATOM 409 N PHE A 27 5.064 -2.442 7.408 1.00 0.00 N ATOM 410 CA PHE A 27 4.540 -3.218 6.300 1.00 0.00 C ATOM 411 C PHE A 27 3.090 -3.584 6.559 1.00 0.00 C ATOM 412 O PHE A 27 2.785 -4.437 7.396 1.00 0.00 O ATOM 413 CB PHE A 27 5.390 -4.467 6.070 1.00 0.00 C ATOM 414 CG PHE A 27 6.741 -4.156 5.490 1.00 0.00 C ATOM 415 CD1 PHE A 27 6.899 -3.995 4.125 1.00 0.00 C ATOM 416 CD2 PHE A 27 7.848 -4.016 6.313 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.137 -3.700 3.590 1.00 0.00 C ATOM 418 CE2 PHE A 27 9.091 -3.722 5.782 1.00 0.00 C ATOM 419 CZ PHE A 27 9.234 -3.563 4.418 1.00 0.00 C ATOM 0 H PHE A 27 5.419 -2.999 8.185 1.00 0.00 H new ATOM 0 HA PHE A 27 4.584 -2.613 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.519 -4.992 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.859 -5.143 5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.046 -4.101 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.739 -4.138 7.381 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.248 -3.576 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.947 -3.617 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.202 -3.332 3.999 1.00 0.00 H new ATOM 429 N TYR A 28 2.204 -2.914 5.846 1.00 0.00 N ATOM 430 CA TYR A 28 0.775 -3.080 6.031 1.00 0.00 C ATOM 431 C TYR A 28 0.259 -4.302 5.289 1.00 0.00 C ATOM 432 O TYR A 28 0.740 -4.632 4.201 1.00 0.00 O ATOM 433 CB TYR A 28 0.031 -1.846 5.519 1.00 0.00 C ATOM 434 CG TYR A 28 0.040 -0.666 6.459 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.057 -0.833 7.834 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.138 0.623 5.958 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.061 0.257 8.684 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.139 1.717 6.797 1.00 0.00 C ATOM 439 CZ TYR A 28 0.039 1.532 8.160 1.00 0.00 C ATOM 440 OH TYR A 28 0.023 2.623 8.999 1.00 0.00 O ATOM 0 H TYR A 28 2.455 -2.240 5.123 1.00 0.00 H new ATOM 0 HA TYR A 28 0.596 -3.212 7.098 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.473 -1.540 4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.004 -2.122 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.130 -1.829 8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.215 0.773 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.142 0.113 9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.218 2.714 6.389 1.00 0.00 H new ATOM 0 HH TYR A 28 0.342 3.413 8.515 1.00 0.00 H new ATOM 450 N ARG A 29 -0.708 -4.976 5.894 1.00 0.00 N ATOM 451 CA ARG A 29 -1.449 -6.027 5.219 1.00 0.00 C ATOM 452 C ARG A 29 -2.524 -5.392 4.344 1.00 0.00 C ATOM 453 O ARG A 29 -2.846 -4.216 4.517 1.00 0.00 O ATOM 454 CB ARG A 29 -2.088 -6.969 6.243 1.00 0.00 C ATOM 455 CG ARG A 29 -2.045 -8.431 5.836 1.00 0.00 C ATOM 456 CD ARG A 29 -0.615 -8.931 5.711 1.00 0.00 C ATOM 457 NE ARG A 29 -0.180 -9.654 6.903 1.00 0.00 N ATOM 458 CZ ARG A 29 -0.254 -10.980 7.041 1.00 0.00 C ATOM 459 NH1 ARG A 29 -0.727 -11.729 6.051 1.00 0.00 N ATOM 460 NH2 ARG A 29 0.158 -11.552 8.166 1.00 0.00 N ATOM 0 H ARG A 29 -0.998 -4.811 6.858 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.769 -6.610 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.578 -6.852 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.126 -6.674 6.397 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.579 -9.031 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.562 -8.561 4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.534 -9.584 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.050 -8.085 5.537 1.00 0.00 H new ATOM 0 HE ARG A 29 0.204 -9.113 7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.035 -11.291 5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.782 -12.742 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.530 -10.979 8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.102 -12.565 8.273 1.00 0.00 H new ATOM 474 N ILE A 30 -3.075 -6.159 3.413 1.00 0.00 N ATOM 475 CA ILE A 30 -4.090 -5.638 2.501 1.00 0.00 C ATOM 476 C ILE A 30 -5.479 -5.709 3.127 1.00 0.00 C ATOM 477 O ILE A 30 -6.008 -6.796 3.360 1.00 0.00 O ATOM 478 CB ILE A 30 -4.097 -6.402 1.158 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.672 -6.536 0.618 1.00 0.00 C ATOM 480 CG2 ILE A 30 -4.989 -5.693 0.146 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.365 -7.903 0.050 1.00 0.00 C ATOM 0 H ILE A 30 -2.839 -7.141 3.268 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.834 -4.596 2.309 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.499 -7.401 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.514 -5.786 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.967 -6.318 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.982 -6.245 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.008 -5.644 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.616 -4.683 -0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.338 -7.924 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.490 -8.657 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.046 -8.116 -0.774 1.00 0.00 H new ATOM 493 N PRO A 31 -6.065 -4.545 3.437 1.00 0.00 N ATOM 494 CA PRO A 31 -7.423 -4.445 3.981 1.00 0.00 C ATOM 495 C PRO A 31 -8.476 -4.934 2.988 1.00 0.00 C ATOM 496 O PRO A 31 -8.389 -4.663 1.790 1.00 0.00 O ATOM 497 CB PRO A 31 -7.593 -2.940 4.247 1.00 0.00 C ATOM 498 CG PRO A 31 -6.206 -2.407 4.301 1.00 0.00 C ATOM 499 CD PRO A 31 -5.446 -3.220 3.301 1.00 0.00 C ATOM 0 HA PRO A 31 -7.555 -5.063 4.869 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.171 -2.461 3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.123 -2.761 5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.180 -1.346 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.781 -2.510 5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.551 -2.824 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.379 -3.245 3.524 1.00 0.00 H new ATOM 507 N LYS A 32 -9.472 -5.649 3.491 1.00 0.00 N ATOM 508 CA LYS A 32 -10.531 -6.181 2.644 1.00 0.00 C ATOM 509 C LYS A 32 -11.877 -5.612 3.059 1.00 0.00 C ATOM 510 O LYS A 32 -12.933 -6.090 2.644 1.00 0.00 O ATOM 511 CB LYS A 32 -10.557 -7.713 2.701 1.00 0.00 C ATOM 512 CG LYS A 32 -10.370 -8.285 4.097 1.00 0.00 C ATOM 513 CD LYS A 32 -10.323 -9.803 4.068 1.00 0.00 C ATOM 514 CE LYS A 32 -8.934 -10.308 3.721 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.270 -10.944 4.884 1.00 0.00 N ATOM 0 H LYS A 32 -9.569 -5.874 4.481 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.328 -5.882 1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.508 -8.065 2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.773 -8.103 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.448 -7.898 4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.187 -7.956 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.623 -10.196 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.041 -10.177 3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.003 -11.027 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.324 -9.478 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.324 -11.275 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.181 -10.251 5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.838 -11.752 5.209 1.00 0.00 H new ATOM 529 N ARG A 33 -11.822 -4.585 3.880 1.00 0.00 N ATOM 530 CA ARG A 33 -13.017 -3.913 4.359 1.00 0.00 C ATOM 531 C ARG A 33 -12.751 -2.416 4.483 1.00 0.00 C ATOM 532 O ARG A 33 -11.857 -2.005 5.219 1.00 0.00 O ATOM 533 CB ARG A 33 -13.438 -4.491 5.715 1.00 0.00 C ATOM 534 CG ARG A 33 -14.919 -4.823 5.809 1.00 0.00 C ATOM 535 CD ARG A 33 -15.771 -3.563 5.863 1.00 0.00 C ATOM 536 NE ARG A 33 -16.775 -3.615 6.919 1.00 0.00 N ATOM 537 CZ ARG A 33 -16.658 -3.007 8.097 1.00 0.00 C ATOM 538 NH1 ARG A 33 -15.555 -2.332 8.408 1.00 0.00 N ATOM 539 NH2 ARG A 33 -17.655 -3.082 8.970 1.00 0.00 N ATOM 0 H ARG A 33 -10.951 -4.191 4.235 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.827 -4.072 3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.860 -5.394 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.185 -3.776 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.213 -5.426 4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.102 -5.426 6.699 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.126 -2.698 6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.266 -3.421 4.902 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.623 -4.153 6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.786 -2.276 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.478 -1.870 9.314 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -18.500 -3.602 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.576 -2.620 9.876 1.00 0.00 H new ATOM 553 N PRO A 34 -13.513 -1.579 3.763 1.00 0.00 N ATOM 554 CA PRO A 34 -14.589 -2.018 2.868 1.00 0.00 C ATOM 555 C PRO A 34 -14.071 -2.636 1.569 1.00 0.00 C ATOM 556 O PRO A 34 -12.918 -2.427 1.181 1.00 0.00 O ATOM 557 CB PRO A 34 -15.366 -0.726 2.562 1.00 0.00 C ATOM 558 CG PRO A 34 -14.792 0.321 3.462 1.00 0.00 C ATOM 559 CD PRO A 34 -13.395 -0.119 3.781 1.00 0.00 C ATOM 0 HA PRO A 34 -15.191 -2.798 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.257 -0.443 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -16.432 -0.858 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.791 1.296 2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.385 0.421 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.678 0.240 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.065 0.250 4.752 1.00 0.00 H new ATOM 567 N LEU A 35 -14.940 -3.393 0.907 1.00 0.00 N ATOM 568 CA LEU A 35 -14.616 -4.039 -0.363 1.00 0.00 C ATOM 569 C LEU A 35 -14.212 -3.015 -1.417 1.00 0.00 C ATOM 570 O LEU A 35 -13.377 -3.297 -2.272 1.00 0.00 O ATOM 571 CB LEU A 35 -15.817 -4.849 -0.865 1.00 0.00 C ATOM 572 CG LEU A 35 -15.599 -6.363 -0.953 1.00 0.00 C ATOM 573 CD1 LEU A 35 -14.593 -6.699 -2.040 1.00 0.00 C ATOM 574 CD2 LEU A 35 -15.143 -6.914 0.387 1.00 0.00 C ATOM 0 H LEU A 35 -15.888 -3.577 1.234 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.772 -4.707 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.663 -4.659 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.094 -4.481 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.549 -6.831 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.453 -7.779 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.962 -6.340 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.641 -6.219 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.993 -7.991 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.206 -6.438 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.902 -6.709 1.142 1.00 0.00 H new ATOM 586 N ILE A 36 -14.808 -1.829 -1.352 1.00 0.00 N ATOM 587 CA ILE A 36 -14.483 -0.756 -2.286 1.00 0.00 C ATOM 588 C ILE A 36 -13.042 -0.292 -2.085 1.00 0.00 C ATOM 589 O ILE A 36 -12.319 -0.031 -3.046 1.00 0.00 O ATOM 590 CB ILE A 36 -15.444 0.443 -2.130 1.00 0.00 C ATOM 591 CG1 ILE A 36 -16.903 -0.019 -2.215 1.00 0.00 C ATOM 592 CG2 ILE A 36 -15.156 1.503 -3.184 1.00 0.00 C ATOM 593 CD1 ILE A 36 -17.248 -0.724 -3.510 1.00 0.00 C ATOM 0 H ILE A 36 -15.519 -1.586 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.597 -1.154 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.281 0.885 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.111 -0.689 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.555 0.846 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.844 2.339 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.131 1.857 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.287 1.074 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.297 -1.020 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.074 -0.050 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.622 -1.610 -3.620 1.00 0.00 H new ATOM 605 N LEU A 37 -12.627 -0.215 -0.827 1.00 0.00 N ATOM 606 CA LEU A 37 -11.252 0.127 -0.495 1.00 0.00 C ATOM 607 C LEU A 37 -10.316 -0.977 -0.975 1.00 0.00 C ATOM 608 O LEU A 37 -9.282 -0.709 -1.584 1.00 0.00 O ATOM 609 CB LEU A 37 -11.114 0.336 1.016 1.00 0.00 C ATOM 610 CG LEU A 37 -9.758 -0.033 1.611 1.00 0.00 C ATOM 611 CD1 LEU A 37 -9.173 1.145 2.369 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.898 -1.239 2.519 1.00 0.00 C ATOM 0 H LEU A 37 -13.225 -0.385 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.980 1.056 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.316 1.383 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.883 -0.251 1.518 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.076 -0.288 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.206 0.865 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.044 1.987 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.848 1.430 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.925 -1.494 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.592 -1.007 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.278 -2.084 1.945 1.00 0.00 H new ATOM 624 N ARG A 38 -10.711 -2.220 -0.705 1.00 0.00 N ATOM 625 CA ARG A 38 -9.981 -3.398 -1.169 1.00 0.00 C ATOM 626 C ARG A 38 -9.793 -3.347 -2.680 1.00 0.00 C ATOM 627 O ARG A 38 -8.705 -3.595 -3.198 1.00 0.00 O ATOM 628 CB ARG A 38 -10.762 -4.656 -0.792 1.00 0.00 C ATOM 629 CG ARG A 38 -10.044 -5.955 -1.101 1.00 0.00 C ATOM 630 CD ARG A 38 -10.998 -7.136 -1.023 1.00 0.00 C ATOM 631 NE ARG A 38 -10.569 -8.261 -1.856 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.687 -8.308 -3.187 1.00 0.00 C ATOM 633 NH1 ARG A 38 -11.208 -7.285 -3.861 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.288 -9.393 -3.837 1.00 0.00 N ATOM 0 H ARG A 38 -11.545 -2.438 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.999 -3.416 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.986 -4.624 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.716 -4.648 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.604 -5.904 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.224 -6.098 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.079 -7.466 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.993 -6.816 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.151 -9.065 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.523 -6.453 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.292 -7.333 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.896 -10.181 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.373 -9.440 -4.852 1.00 0.00 H new ATOM 648 N GLN A 39 -10.879 -3.024 -3.369 1.00 0.00 N ATOM 649 CA GLN A 39 -10.881 -2.888 -4.820 1.00 0.00 C ATOM 650 C GLN A 39 -9.846 -1.870 -5.284 1.00 0.00 C ATOM 651 O GLN A 39 -9.156 -2.077 -6.282 1.00 0.00 O ATOM 652 CB GLN A 39 -12.270 -2.459 -5.294 1.00 0.00 C ATOM 653 CG GLN A 39 -12.759 -3.207 -6.518 1.00 0.00 C ATOM 654 CD GLN A 39 -13.759 -4.289 -6.174 1.00 0.00 C ATOM 655 OE1 GLN A 39 -13.448 -5.232 -5.445 1.00 0.00 O ATOM 656 NE2 GLN A 39 -14.968 -4.155 -6.691 1.00 0.00 N ATOM 0 H GLN A 39 -11.786 -2.848 -2.937 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.623 -3.855 -5.251 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.982 -2.606 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.254 -1.392 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.216 -2.502 -7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.907 -3.654 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.181 -3.357 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.688 -4.849 -6.491 1.00 0.00 H new ATOM 665 N ARG A 40 -9.736 -0.772 -4.549 1.00 0.00 N ATOM 666 CA ARG A 40 -8.825 0.300 -4.916 1.00 0.00 C ATOM 667 C ARG A 40 -7.392 -0.036 -4.530 1.00 0.00 C ATOM 668 O ARG A 40 -6.446 0.476 -5.129 1.00 0.00 O ATOM 669 CB ARG A 40 -9.248 1.610 -4.254 1.00 0.00 C ATOM 670 CG ARG A 40 -10.494 2.222 -4.847 1.00 0.00 C ATOM 671 CD ARG A 40 -10.303 2.559 -6.315 1.00 0.00 C ATOM 672 NE ARG A 40 -11.119 1.709 -7.179 1.00 0.00 N ATOM 673 CZ ARG A 40 -12.295 2.074 -7.677 1.00 0.00 C ATOM 674 NH1 ARG A 40 -12.763 3.295 -7.453 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.990 1.218 -8.417 1.00 0.00 N ATOM 0 H ARG A 40 -10.267 -0.601 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.869 0.416 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.413 1.432 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.430 2.326 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.329 1.530 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.755 3.126 -4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.562 3.604 -6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.252 2.444 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.765 0.782 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.219 3.956 -6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.666 3.573 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.620 0.285 -8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.894 1.493 -8.802 1.00 0.00 H new ATOM 689 N TRP A 41 -7.230 -0.903 -3.541 1.00 0.00 N ATOM 690 CA TRP A 41 -5.906 -1.304 -3.097 1.00 0.00 C ATOM 691 C TRP A 41 -5.198 -2.070 -4.206 1.00 0.00 C ATOM 692 O TRP A 41 -3.980 -2.000 -4.338 1.00 0.00 O ATOM 693 CB TRP A 41 -6.003 -2.146 -1.825 1.00 0.00 C ATOM 694 CG TRP A 41 -5.721 -1.345 -0.595 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.494 -0.355 -0.074 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.577 -1.452 0.252 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.902 0.164 1.049 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.722 -0.492 1.268 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.443 -2.264 0.249 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.775 -0.324 2.273 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.502 -2.095 1.244 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.672 -1.131 2.243 1.00 0.00 C ATOM 0 H TRP A 41 -7.998 -1.341 -3.033 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.322 -0.413 -2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.001 -2.580 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.299 -2.976 -1.886 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.437 -0.025 -0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -6.280 0.916 1.626 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.304 -3.011 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.906 0.416 3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.619 -2.718 1.251 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.916 -1.022 3.007 1.00 0.00 H new ATOM 713 N LEU A 42 -5.979 -2.776 -5.019 1.00 0.00 N ATOM 714 CA LEU A 42 -5.444 -3.478 -6.179 1.00 0.00 C ATOM 715 C LEU A 42 -5.050 -2.481 -7.265 1.00 0.00 C ATOM 716 O LEU A 42 -4.068 -2.682 -7.980 1.00 0.00 O ATOM 717 CB LEU A 42 -6.470 -4.474 -6.733 1.00 0.00 C ATOM 718 CG LEU A 42 -7.192 -5.333 -5.692 1.00 0.00 C ATOM 719 CD1 LEU A 42 -8.009 -6.415 -6.379 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.202 -5.959 -4.721 1.00 0.00 C ATOM 0 H LEU A 42 -6.986 -2.876 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.559 -4.030 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.217 -3.919 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.963 -5.136 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.863 -4.688 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.518 -7.019 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.748 -5.953 -7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.348 -7.050 -6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.741 -6.564 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.503 -6.590 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.652 -5.172 -4.204 1.00 0.00 H new ATOM 732 N THR A 43 -5.825 -1.405 -7.370 1.00 0.00 N ATOM 733 CA THR A 43 -5.568 -0.338 -8.330 1.00 0.00 C ATOM 734 C THR A 43 -4.178 0.261 -8.133 1.00 0.00 C ATOM 735 O THR A 43 -3.458 0.528 -9.098 1.00 0.00 O ATOM 736 CB THR A 43 -6.619 0.780 -8.185 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.934 0.210 -8.145 1.00 0.00 O ATOM 738 CG2 THR A 43 -6.524 1.780 -9.327 1.00 0.00 C ATOM 0 H THR A 43 -6.650 -1.249 -6.791 1.00 0.00 H new ATOM 0 HA THR A 43 -5.627 -0.775 -9.327 1.00 0.00 H new ATOM 0 HB THR A 43 -6.422 1.311 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.598 0.925 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.278 2.556 -9.195 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.533 2.235 -9.331 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.692 1.268 -10.274 1.00 0.00 H new ATOM 746 N ALA A 44 -3.810 0.455 -6.877 1.00 0.00 N ATOM 747 CA ALA A 44 -2.534 1.057 -6.531 1.00 0.00 C ATOM 748 C ALA A 44 -1.368 0.248 -7.072 1.00 0.00 C ATOM 749 O ALA A 44 -0.459 0.789 -7.699 1.00 0.00 O ATOM 750 CB ALA A 44 -2.421 1.176 -5.030 1.00 0.00 C ATOM 0 H ALA A 44 -4.384 0.201 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.493 2.046 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.463 1.628 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.230 1.801 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.488 0.185 -4.580 1.00 0.00 H new ATOM 756 N ILE A 45 -1.415 -1.050 -6.829 1.00 0.00 N ATOM 757 CA ILE A 45 -0.346 -1.952 -7.232 1.00 0.00 C ATOM 758 C ILE A 45 -0.510 -2.393 -8.680 1.00 0.00 C ATOM 759 O ILE A 45 0.346 -3.095 -9.224 1.00 0.00 O ATOM 760 CB ILE A 45 -0.298 -3.211 -6.335 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.605 -3.384 -5.556 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.877 -3.137 -5.378 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.861 -4.802 -5.094 1.00 0.00 C ATOM 0 H ILE A 45 -2.190 -1.508 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 45 0.585 -1.396 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.171 -4.079 -6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.588 -2.727 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.436 -3.061 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.895 -4.031 -4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.805 -3.071 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.776 -2.255 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.805 -4.843 -4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.912 -5.463 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.051 -5.123 -4.439 1.00 0.00 H new ATOM 775 N GLY A 46 -1.612 -1.982 -9.299 1.00 0.00 N ATOM 776 CA GLY A 46 -1.913 -2.406 -10.653 1.00 0.00 C ATOM 777 C GLY A 46 -2.076 -3.907 -10.735 1.00 0.00 C ATOM 778 O GLY A 46 -1.687 -4.536 -11.720 1.00 0.00 O ATOM 0 H GLY A 46 -2.305 -1.359 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.827 -1.920 -10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.114 -2.088 -11.322 1.00 0.00 H new ATOM 782 N ARG A 47 -2.650 -4.486 -9.692 1.00 0.00 N ATOM 783 CA ARG A 47 -2.744 -5.930 -9.585 1.00 0.00 C ATOM 784 C ARG A 47 -4.194 -6.377 -9.482 1.00 0.00 C ATOM 785 O ARG A 47 -5.110 -5.557 -9.474 1.00 0.00 O ATOM 786 CB ARG A 47 -1.953 -6.420 -8.375 1.00 0.00 C ATOM 787 CG ARG A 47 -0.553 -6.888 -8.730 1.00 0.00 C ATOM 788 CD ARG A 47 0.431 -6.601 -7.610 1.00 0.00 C ATOM 789 NE ARG A 47 1.809 -6.891 -8.005 1.00 0.00 N ATOM 790 CZ ARG A 47 2.368 -8.100 -7.942 1.00 0.00 C ATOM 791 NH1 ARG A 47 1.680 -9.130 -7.468 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.619 -8.277 -8.348 1.00 0.00 N ATOM 0 H ARG A 47 -3.057 -3.976 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.319 -6.367 -10.489 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.886 -5.616 -7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.495 -7.239 -7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.568 -7.958 -8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.223 -6.391 -9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.351 -5.555 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.171 -7.199 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 47 2.379 -6.119 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.720 -8.999 -7.150 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.111 -10.053 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.155 -7.488 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.045 -9.203 -8.299 1.00 0.00 H new ATOM 806 N THR A 48 -4.387 -7.680 -9.403 1.00 0.00 N ATOM 807 CA THR A 48 -5.712 -8.264 -9.370 1.00 0.00 C ATOM 808 C THR A 48 -5.756 -9.425 -8.377 1.00 0.00 C ATOM 809 O THR A 48 -4.793 -9.651 -7.642 1.00 0.00 O ATOM 810 CB THR A 48 -6.132 -8.743 -10.771 1.00 0.00 C ATOM 811 OG1 THR A 48 -5.092 -8.456 -11.723 1.00 0.00 O ATOM 812 CG2 THR A 48 -7.421 -8.063 -11.200 1.00 0.00 C ATOM 0 H THR A 48 -3.630 -8.362 -9.360 1.00 0.00 H new ATOM 0 HA THR A 48 -6.416 -7.498 -9.045 1.00 0.00 H new ATOM 0 HB THR A 48 -6.297 -9.820 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.367 -8.766 -12.611 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.704 -8.413 -12.193 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.213 -8.304 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.272 -6.983 -11.225 1.00 0.00 H new ATOM 820 N GLU A 49 -6.867 -10.153 -8.360 1.00 0.00 N ATOM 821 CA GLU A 49 -7.078 -11.236 -7.390 1.00 0.00 C ATOM 822 C GLU A 49 -5.981 -12.295 -7.504 1.00 0.00 C ATOM 823 O GLU A 49 -5.566 -12.890 -6.507 1.00 0.00 O ATOM 824 CB GLU A 49 -8.445 -11.918 -7.579 1.00 0.00 C ATOM 825 CG GLU A 49 -9.472 -11.122 -8.381 1.00 0.00 C ATOM 826 CD GLU A 49 -10.076 -9.970 -7.602 1.00 0.00 C ATOM 827 OE1 GLU A 49 -10.372 -10.144 -6.402 1.00 0.00 O ATOM 828 OE2 GLU A 49 -10.278 -8.889 -8.194 1.00 0.00 O ATOM 0 H GLU A 49 -7.643 -10.016 -9.008 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.047 -10.777 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.288 -12.877 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.864 -12.131 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.998 -10.733 -9.282 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.269 -11.791 -8.704 1.00 0.00 H new ATOM 835 N GLU A 50 -5.513 -12.514 -8.723 1.00 0.00 N ATOM 836 CA GLU A 50 -4.499 -13.532 -8.993 1.00 0.00 C ATOM 837 C GLU A 50 -3.097 -13.037 -8.636 1.00 0.00 C ATOM 838 O GLU A 50 -2.126 -13.786 -8.732 1.00 0.00 O ATOM 839 CB GLU A 50 -4.531 -13.940 -10.471 1.00 0.00 C ATOM 840 CG GLU A 50 -5.895 -13.796 -11.134 1.00 0.00 C ATOM 841 CD GLU A 50 -6.127 -12.408 -11.698 1.00 0.00 C ATOM 842 OE1 GLU A 50 -5.490 -12.054 -12.712 1.00 0.00 O ATOM 843 OE2 GLU A 50 -6.942 -11.660 -11.119 1.00 0.00 O ATOM 0 H GLU A 50 -5.819 -11.999 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.731 -14.395 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.809 -13.334 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.207 -14.977 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.984 -14.529 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.674 -14.023 -10.406 1.00 0.00 H new ATOM 850 N THR A 51 -2.992 -11.784 -8.224 1.00 0.00 N ATOM 851 CA THR A 51 -1.696 -11.175 -7.973 1.00 0.00 C ATOM 852 C THR A 51 -1.674 -10.419 -6.644 1.00 0.00 C ATOM 853 O THR A 51 -0.883 -9.491 -6.458 1.00 0.00 O ATOM 854 CB THR A 51 -1.332 -10.217 -9.120 1.00 0.00 C ATOM 855 OG1 THR A 51 -2.526 -9.657 -9.682 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.565 -10.943 -10.208 1.00 0.00 C ATOM 0 H THR A 51 -3.788 -11.169 -8.056 1.00 0.00 H new ATOM 0 HA THR A 51 -0.960 -11.977 -7.916 1.00 0.00 H new ATOM 0 HB THR A 51 -0.703 -9.424 -8.714 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.289 -9.046 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.319 -10.244 -11.008 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.354 -11.356 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.178 -11.751 -10.608 1.00 0.00 H new ATOM 864 N VAL A 52 -2.552 -10.807 -5.730 1.00 0.00 N ATOM 865 CA VAL A 52 -2.678 -10.123 -4.447 1.00 0.00 C ATOM 866 C VAL A 52 -3.062 -11.113 -3.344 1.00 0.00 C ATOM 867 O VAL A 52 -3.176 -12.310 -3.607 1.00 0.00 O ATOM 868 CB VAL A 52 -3.726 -8.979 -4.550 1.00 0.00 C ATOM 869 CG1 VAL A 52 -5.146 -9.501 -4.375 1.00 0.00 C ATOM 870 CG2 VAL A 52 -3.428 -7.864 -3.554 1.00 0.00 C ATOM 0 H VAL A 52 -3.190 -11.594 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.713 -9.686 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.650 -8.561 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.850 -8.673 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.362 -10.235 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.244 -9.969 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.178 -7.079 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.451 -8.265 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.441 -7.449 -3.757 1.00 0.00 H new ATOM 880 N VAL A 53 -3.176 -10.597 -2.113 1.00 0.00 N ATOM 881 CA VAL A 53 -3.777 -11.293 -0.964 1.00 0.00 C ATOM 882 C VAL A 53 -2.749 -11.653 0.116 1.00 0.00 C ATOM 883 O VAL A 53 -2.757 -11.054 1.190 1.00 0.00 O ATOM 884 CB VAL A 53 -4.615 -12.549 -1.339 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.918 -13.406 -0.113 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.916 -12.141 -2.014 1.00 0.00 C ATOM 0 H VAL A 53 -2.845 -9.660 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.472 -10.560 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.020 -13.143 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.505 -14.275 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.983 -13.738 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.483 -12.819 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.489 -13.033 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.498 -11.518 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.694 -11.580 -2.922 1.00 0.00 H new ATOM 896 N SER A 54 -1.863 -12.607 -0.154 1.00 0.00 N ATOM 897 CA SER A 54 -1.013 -13.149 0.903 1.00 0.00 C ATOM 898 C SER A 54 0.365 -12.486 0.972 1.00 0.00 C ATOM 899 O SER A 54 0.611 -11.654 1.848 1.00 0.00 O ATOM 900 CB SER A 54 -0.863 -14.661 0.734 1.00 0.00 C ATOM 901 OG SER A 54 -2.133 -15.295 0.711 1.00 0.00 O ATOM 0 H SER A 54 -1.715 -13.015 -1.077 1.00 0.00 H new ATOM 0 HA SER A 54 -1.511 -12.928 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.327 -14.877 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.265 -15.065 1.551 1.00 0.00 H new ATOM 0 HG SER A 54 -2.014 -16.261 0.600 1.00 0.00 H new ATOM 907 N GLN A 55 1.252 -12.851 0.048 1.00 0.00 N ATOM 908 CA GLN A 55 2.656 -12.444 0.116 1.00 0.00 C ATOM 909 C GLN A 55 2.813 -10.928 0.007 1.00 0.00 C ATOM 910 O GLN A 55 3.726 -10.343 0.598 1.00 0.00 O ATOM 911 CB GLN A 55 3.452 -13.142 -0.998 1.00 0.00 C ATOM 912 CG GLN A 55 4.821 -12.529 -1.275 1.00 0.00 C ATOM 913 CD GLN A 55 5.890 -12.984 -0.292 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.592 -13.380 0.836 1.00 0.00 O ATOM 915 NE2 GLN A 55 7.145 -12.922 -0.710 1.00 0.00 N ATOM 0 H GLN A 55 1.023 -13.430 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 55 3.047 -12.744 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.585 -14.190 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.865 -13.119 -1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.131 -12.791 -2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.740 -11.443 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.353 -12.589 -1.651 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.903 -13.208 -0.091 1.00 0.00 H new ATOM 924 N LEU A 56 1.910 -10.300 -0.729 1.00 0.00 N ATOM 925 CA LEU A 56 2.000 -8.872 -1.002 1.00 0.00 C ATOM 926 C LEU A 56 1.872 -8.040 0.270 1.00 0.00 C ATOM 927 O LEU A 56 0.901 -8.166 1.016 1.00 0.00 O ATOM 928 CB LEU A 56 0.926 -8.463 -2.002 1.00 0.00 C ATOM 929 CG LEU A 56 1.436 -8.220 -3.418 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.499 -9.527 -4.191 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.553 -7.214 -4.132 1.00 0.00 C ATOM 0 H LEU A 56 1.102 -10.758 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 56 2.986 -8.679 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.163 -9.240 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.442 -7.555 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 56 2.444 -7.810 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.865 -9.336 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.174 -10.217 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.503 -9.967 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.930 -7.051 -5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.467 -7.596 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.560 -6.271 -3.585 1.00 0.00 H new ATOM 943 N ARG A 57 2.864 -7.198 0.506 1.00 0.00 N ATOM 944 CA ARG A 57 2.861 -6.290 1.641 1.00 0.00 C ATOM 945 C ARG A 57 3.116 -4.876 1.144 1.00 0.00 C ATOM 946 O ARG A 57 3.852 -4.686 0.177 1.00 0.00 O ATOM 947 CB ARG A 57 3.928 -6.696 2.659 1.00 0.00 C ATOM 948 CG ARG A 57 3.367 -7.038 4.031 1.00 0.00 C ATOM 949 CD ARG A 57 2.655 -8.384 4.031 1.00 0.00 C ATOM 950 NE ARG A 57 3.420 -9.418 3.330 1.00 0.00 N ATOM 951 CZ ARG A 57 4.237 -10.286 3.927 1.00 0.00 C ATOM 952 NH1 ARG A 57 4.399 -10.267 5.245 1.00 0.00 N ATOM 953 NH2 ARG A 57 4.896 -11.182 3.202 1.00 0.00 N ATOM 0 H ARG A 57 3.693 -7.124 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 57 1.891 -6.335 2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.475 -7.557 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.646 -5.883 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.176 -7.055 4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.672 -6.259 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.480 -8.700 5.059 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.678 -8.276 3.560 1.00 0.00 H new ATOM 0 HE ARG A 57 3.321 -9.478 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.896 -9.584 5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.027 -10.936 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.777 -11.206 2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.521 -11.847 3.658 1.00 0.00 H new ATOM 967 N ILE A 58 2.508 -3.891 1.786 1.00 0.00 N ATOM 968 CA ILE A 58 2.620 -2.517 1.324 1.00 0.00 C ATOM 969 C ILE A 58 3.263 -1.626 2.381 1.00 0.00 C ATOM 970 O ILE A 58 2.846 -1.616 3.539 1.00 0.00 O ATOM 971 CB ILE A 58 1.241 -1.942 0.931 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.557 -2.843 -0.106 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.384 -0.523 0.393 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.342 -3.004 -1.391 1.00 0.00 C ATOM 0 H ILE A 58 1.936 -4.015 2.622 1.00 0.00 H new ATOM 0 HA ILE A 58 3.259 -2.530 0.441 1.00 0.00 H new ATOM 0 HB ILE A 58 0.617 -1.909 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.393 -3.827 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.424 -2.431 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.402 -0.136 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.826 0.114 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.027 -0.531 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.794 -3.654 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.484 -2.028 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.314 -3.446 -1.171 1.00 0.00 H new ATOM 986 N CYS A 59 4.285 -0.890 1.967 1.00 0.00 N ATOM 987 CA CYS A 59 4.972 0.048 2.840 1.00 0.00 C ATOM 988 C CYS A 59 4.078 1.235 3.186 1.00 0.00 C ATOM 989 O CYS A 59 3.308 1.710 2.350 1.00 0.00 O ATOM 990 CB CYS A 59 6.244 0.540 2.150 1.00 0.00 C ATOM 991 SG CYS A 59 7.139 -0.775 1.258 1.00 0.00 S ATOM 0 H CYS A 59 4.659 -0.927 1.019 1.00 0.00 H new ATOM 0 HA CYS A 59 5.227 -0.464 3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.984 1.333 1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.907 0.979 2.896 1.00 0.00 H new ATOM 0 HG CYS A 59 7.788 -0.257 0.258 1.00 0.00 H new ATOM 996 N SER A 60 4.201 1.729 4.412 1.00 0.00 N ATOM 997 CA SER A 60 3.450 2.901 4.844 1.00 0.00 C ATOM 998 C SER A 60 4.011 4.162 4.194 1.00 0.00 C ATOM 999 O SER A 60 3.483 5.258 4.369 1.00 0.00 O ATOM 1000 CB SER A 60 3.497 3.025 6.362 1.00 0.00 C ATOM 1001 OG SER A 60 4.421 2.105 6.911 1.00 0.00 O ATOM 0 H SER A 60 4.815 1.335 5.125 1.00 0.00 H new ATOM 0 HA SER A 60 2.412 2.783 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.779 4.041 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.506 2.844 6.777 1.00 0.00 H new ATOM 0 HG SER A 60 4.071 1.194 6.816 1.00 0.00 H new ATOM 1007 N ALA A 61 5.099 3.992 3.451 1.00 0.00 N ATOM 1008 CA ALA A 61 5.690 5.079 2.688 1.00 0.00 C ATOM 1009 C ALA A 61 4.823 5.394 1.478 1.00 0.00 C ATOM 1010 O ALA A 61 4.912 6.473 0.894 1.00 0.00 O ATOM 1011 CB ALA A 61 7.098 4.712 2.249 1.00 0.00 C ATOM 0 H ALA A 61 5.591 3.103 3.362 1.00 0.00 H new ATOM 0 HA ALA A 61 5.747 5.965 3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.528 5.536 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.714 4.518 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.064 3.818 1.626 1.00 0.00 H new ATOM 1017 N HIS A 62 3.963 4.446 1.126 1.00 0.00 N ATOM 1018 CA HIS A 62 3.073 4.595 -0.017 1.00 0.00 C ATOM 1019 C HIS A 62 1.772 5.269 0.405 1.00 0.00 C ATOM 1020 O HIS A 62 0.761 5.166 -0.285 1.00 0.00 O ATOM 1021 CB HIS A 62 2.764 3.223 -0.632 1.00 0.00 C ATOM 1022 CG HIS A 62 3.974 2.486 -1.126 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.621 2.765 -2.318 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.656 1.453 -0.559 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.656 1.909 -2.432 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.708 1.107 -1.391 1.00 0.00 N ATOM 0 H HIS A 62 3.864 3.560 1.621 1.00 0.00 H new ATOM 0 HA HIS A 62 3.571 5.218 -0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.257 2.609 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.070 3.357 -1.462 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.361 3.488 -2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.417 0.982 0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.346 1.885 -3.262 1.00 0.00 H new ATOM 1034 N PHE A 63 1.806 5.955 1.540 1.00 0.00 N ATOM 1035 CA PHE A 63 0.614 6.588 2.088 1.00 0.00 C ATOM 1036 C PHE A 63 0.901 8.015 2.524 1.00 0.00 C ATOM 1037 O PHE A 63 1.982 8.311 3.035 1.00 0.00 O ATOM 1038 CB PHE A 63 0.092 5.802 3.295 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.425 4.438 2.962 1.00 0.00 C ATOM 1040 CD1 PHE A 63 -1.752 4.256 2.617 1.00 0.00 C ATOM 1041 CD2 PHE A 63 0.414 3.340 3.003 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -2.230 3.000 2.313 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -0.060 2.081 2.700 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.383 1.912 2.358 1.00 0.00 C ATOM 0 H PHE A 63 2.648 6.087 2.100 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.138 6.598 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.895 5.706 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.705 6.374 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.419 5.105 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.451 3.470 3.275 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.266 2.867 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.604 1.230 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.758 0.926 2.125 1.00 0.00 H new ATOM 1054 N GLU A 64 -0.069 8.894 2.311 1.00 0.00 N ATOM 1055 CA GLU A 64 -0.016 10.238 2.863 1.00 0.00 C ATOM 1056 C GLU A 64 -0.119 10.159 4.382 1.00 0.00 C ATOM 1057 O GLU A 64 -1.133 9.710 4.921 1.00 0.00 O ATOM 1058 CB GLU A 64 -1.155 11.093 2.297 1.00 0.00 C ATOM 1059 CG GLU A 64 -1.195 12.511 2.851 1.00 0.00 C ATOM 1060 CD GLU A 64 -2.475 12.816 3.608 1.00 0.00 C ATOM 1061 OE1 GLU A 64 -3.293 11.895 3.816 1.00 0.00 O ATOM 1062 OE2 GLU A 64 -2.668 13.986 4.001 1.00 0.00 O ATOM 0 H GLU A 64 -0.904 8.698 1.758 1.00 0.00 H new ATOM 0 HA GLU A 64 0.929 10.705 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.057 11.140 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.105 10.603 2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.343 12.660 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.088 13.219 2.030 1.00 0.00 H new ATOM 1069 N GLY A 65 0.940 10.562 5.071 1.00 0.00 N ATOM 1070 CA GLY A 65 0.963 10.457 6.517 1.00 0.00 C ATOM 1071 C GLY A 65 1.430 9.090 6.984 1.00 0.00 C ATOM 1072 O GLY A 65 1.932 8.943 8.098 1.00 0.00 O ATOM 0 H GLY A 65 1.783 10.959 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.622 11.223 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.035 10.652 6.910 1.00 0.00 H new ATOM 1076 N GLY A 66 1.257 8.088 6.129 1.00 0.00 N ATOM 1077 CA GLY A 66 1.704 6.745 6.444 1.00 0.00 C ATOM 1078 C GLY A 66 0.728 5.986 7.321 1.00 0.00 C ATOM 1079 O GLY A 66 1.042 4.901 7.814 1.00 0.00 O ATOM 0 H GLY A 66 0.811 8.184 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.857 6.192 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.670 6.798 6.946 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.460 6.543 7.511 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.451 5.930 8.383 1.00 0.00 C ATOM 1085 C GLU A 67 -2.621 5.368 7.579 1.00 0.00 C ATOM 1086 O GLU A 67 -3.475 6.115 7.100 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.956 6.939 9.419 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.753 8.391 9.014 1.00 0.00 C ATOM 1089 CD GLU A 67 -3.047 9.178 9.011 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -4.105 8.601 9.348 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -3.012 10.378 8.675 1.00 0.00 O ATOM 0 H GLU A 67 -0.760 7.415 7.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.969 5.103 8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.018 6.766 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.444 6.761 10.365 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.047 8.861 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.306 8.429 8.021 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.641 4.051 7.428 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.732 3.371 6.740 1.00 0.00 C ATOM 1100 C LYS A 68 -4.850 3.066 7.728 1.00 0.00 C ATOM 1101 O LYS A 68 -4.676 2.268 8.651 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.228 2.078 6.088 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.334 1.113 5.680 1.00 0.00 C ATOM 1104 CD LYS A 68 -3.969 -0.328 6.007 1.00 0.00 C ATOM 1105 CE LYS A 68 -3.935 -0.576 7.509 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.218 -1.128 8.020 1.00 0.00 N ATOM 0 H LYS A 68 -1.911 3.429 7.774 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.119 4.022 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.641 2.334 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.557 1.572 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.258 1.380 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.524 1.207 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.692 -1.000 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.995 -0.563 5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.126 -1.268 7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.713 0.359 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.146 -1.280 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.988 -0.457 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.418 -2.033 7.549 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.988 3.717 7.549 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.129 3.491 8.416 1.00 0.00 C ATOM 1122 C LYS A 69 -8.191 2.667 7.696 1.00 0.00 C ATOM 1123 O LYS A 69 -8.083 1.444 7.610 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.712 4.820 8.896 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.692 5.723 9.571 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.080 7.190 9.464 1.00 0.00 C ATOM 1127 CE LYS A 69 -7.215 7.627 8.014 1.00 0.00 C ATOM 1128 NZ LYS A 69 -5.915 8.049 7.432 1.00 0.00 N ATOM 0 H LYS A 69 -6.144 4.405 6.812 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.793 2.931 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.144 5.346 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.526 4.620 9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.600 5.447 10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.714 5.571 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.023 7.357 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.329 7.803 9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.625 6.806 7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.925 8.452 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.956 9.059 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.157 7.893 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.720 7.491 6.576 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.208 3.334 7.164 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.313 2.638 6.523 1.00 0.00 C ATOM 1144 C GLU A 70 -10.632 3.236 5.154 1.00 0.00 C ATOM 1145 O GLU A 70 -11.505 2.742 4.445 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.551 2.700 7.419 1.00 0.00 C ATOM 1147 CG GLU A 70 -12.013 1.341 7.916 1.00 0.00 C ATOM 1148 CD GLU A 70 -11.100 0.755 8.977 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -10.617 1.515 9.847 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -10.870 -0.472 8.952 1.00 0.00 O ATOM 0 H GLU A 70 -9.289 4.351 7.164 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.018 1.599 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.336 3.337 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.365 3.171 6.868 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.021 1.432 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.070 0.652 7.073 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.920 4.292 4.779 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.200 4.956 3.519 1.00 0.00 C ATOM 1159 C GLY A 71 -8.941 5.351 2.778 1.00 0.00 C ATOM 1160 O GLY A 71 -8.971 6.210 1.897 1.00 0.00 O ATOM 0 H GLY A 71 -9.158 4.699 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.796 4.296 2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.801 5.846 3.707 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.832 4.721 3.120 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.552 5.060 2.515 1.00 0.00 C ATOM 1166 C ASP A 72 -6.104 3.961 1.567 1.00 0.00 C ATOM 1167 O ASP A 72 -6.168 2.777 1.900 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.470 5.278 3.581 1.00 0.00 C ATOM 1169 CG ASP A 72 -5.943 6.101 4.764 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.619 5.538 5.654 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -5.621 7.310 4.824 1.00 0.00 O ATOM 0 H ASP A 72 -7.789 3.973 3.812 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.690 5.988 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.123 4.309 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.614 5.774 3.123 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.667 4.368 0.390 1.00 0.00 N ATOM 1177 CA ILE A 73 -5.137 3.453 -0.609 1.00 0.00 C ATOM 1178 C ILE A 73 -3.672 3.792 -0.853 1.00 0.00 C ATOM 1179 O ILE A 73 -3.295 4.963 -0.796 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.937 3.570 -1.933 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.427 3.372 -1.664 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.456 2.578 -2.981 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.300 4.410 -2.328 1.00 0.00 C ATOM 0 H ILE A 73 -5.669 5.345 0.097 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.227 2.429 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.769 4.571 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.723 2.383 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.601 3.396 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.044 2.696 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.405 2.763 -3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.574 1.563 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.346 4.209 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.031 5.400 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.155 4.371 -3.408 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.810 2.796 -1.096 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.402 3.059 -1.359 1.00 0.00 C ATOM 1197 C PRO A 74 -1.207 3.770 -2.695 1.00 0.00 C ATOM 1198 O PRO A 74 -2.059 3.695 -3.576 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.764 1.668 -1.386 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.880 0.723 -1.680 1.00 0.00 C ATOM 1201 CD PRO A 74 -3.134 1.359 -1.154 1.00 0.00 C ATOM 0 HA PRO A 74 -0.958 3.715 -0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.013 1.607 -2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.293 1.434 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.959 0.539 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.706 -0.242 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.983 1.168 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.397 0.969 -0.170 1.00 0.00 H new ATOM 1209 N VAL A 75 -0.109 4.490 -2.831 1.00 0.00 N ATOM 1210 CA VAL A 75 0.224 5.126 -4.095 1.00 0.00 C ATOM 1211 C VAL A 75 1.688 4.889 -4.427 1.00 0.00 C ATOM 1212 O VAL A 75 2.501 4.632 -3.535 1.00 0.00 O ATOM 1213 CB VAL A 75 -0.062 6.645 -4.091 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.496 6.914 -4.517 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.220 7.252 -2.727 1.00 0.00 C ATOM 0 H VAL A 75 0.567 4.650 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.414 4.674 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 75 0.607 7.119 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.682 7.988 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.656 6.525 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.180 6.422 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.010 8.321 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.414 6.776 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.267 7.094 -2.468 1.00 0.00 H new ATOM 1225 N PRO A 76 2.047 4.951 -5.716 1.00 0.00 N ATOM 1226 CA PRO A 76 3.426 4.728 -6.153 1.00 0.00 C ATOM 1227 C PRO A 76 4.355 5.816 -5.635 1.00 0.00 C ATOM 1228 O PRO A 76 5.526 5.574 -5.345 1.00 0.00 O ATOM 1229 CB PRO A 76 3.338 4.777 -7.681 1.00 0.00 C ATOM 1230 CG PRO A 76 2.089 5.537 -7.972 1.00 0.00 C ATOM 1231 CD PRO A 76 1.144 5.239 -6.844 1.00 0.00 C ATOM 0 HA PRO A 76 3.832 3.789 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.210 5.271 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.298 3.774 -8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.291 6.606 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.662 5.233 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.491 6.086 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.500 4.389 -7.072 1.00 0.00 H new ATOM 1239 N ASP A 77 3.795 7.007 -5.511 1.00 0.00 N ATOM 1240 CA ASP A 77 4.517 8.183 -5.065 1.00 0.00 C ATOM 1241 C ASP A 77 3.513 9.270 -4.735 1.00 0.00 C ATOM 1242 O ASP A 77 2.913 9.845 -5.635 1.00 0.00 O ATOM 1243 CB ASP A 77 5.473 8.665 -6.156 1.00 0.00 C ATOM 1244 CG ASP A 77 6.525 9.610 -5.626 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.165 10.728 -5.212 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.718 9.248 -5.631 1.00 0.00 O ATOM 0 H ASP A 77 2.813 7.185 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 77 5.106 7.939 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.960 7.804 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.903 9.164 -6.940 1.00 0.00 H new ATOM 1251 N PRO A 78 3.298 9.548 -3.440 1.00 0.00 N ATOM 1252 CA PRO A 78 2.302 10.532 -2.986 1.00 0.00 C ATOM 1253 C PRO A 78 2.578 11.934 -3.524 1.00 0.00 C ATOM 1254 O PRO A 78 1.708 12.807 -3.501 1.00 0.00 O ATOM 1255 CB PRO A 78 2.441 10.511 -1.457 1.00 0.00 C ATOM 1256 CG PRO A 78 3.102 9.213 -1.146 1.00 0.00 C ATOM 1257 CD PRO A 78 4.004 8.924 -2.310 1.00 0.00 C ATOM 0 HA PRO A 78 1.301 10.283 -3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 78 3.038 11.352 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.468 10.584 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.670 9.276 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.365 8.420 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.996 9.353 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.138 7.853 -2.460 1.00 0.00 H new ATOM 1265 N THR A 79 3.790 12.142 -4.006 1.00 0.00 N ATOM 1266 CA THR A 79 4.199 13.434 -4.519 1.00 0.00 C ATOM 1267 C THR A 79 4.069 13.500 -6.041 1.00 0.00 C ATOM 1268 O THR A 79 3.897 14.577 -6.610 1.00 0.00 O ATOM 1269 CB THR A 79 5.649 13.738 -4.108 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.224 12.579 -3.486 1.00 0.00 O ATOM 1271 CG2 THR A 79 5.700 14.903 -3.139 1.00 0.00 C ATOM 0 H THR A 79 4.513 11.424 -4.052 1.00 0.00 H new ATOM 0 HA THR A 79 3.536 14.184 -4.088 1.00 0.00 H new ATOM 0 HB THR A 79 6.214 14.001 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.572 11.976 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.735 15.101 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.276 15.789 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.125 14.659 -2.246 1.00 0.00 H new ATOM 1279 N VAL A 80 4.144 12.348 -6.696 1.00 0.00 N ATOM 1280 CA VAL A 80 4.047 12.292 -8.149 1.00 0.00 C ATOM 1281 C VAL A 80 2.639 11.893 -8.587 1.00 0.00 C ATOM 1282 O VAL A 80 2.031 12.543 -9.438 1.00 0.00 O ATOM 1283 CB VAL A 80 5.076 11.302 -8.740 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.859 11.111 -10.232 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.493 11.779 -8.469 1.00 0.00 C ATOM 0 H VAL A 80 4.271 11.442 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 80 4.266 13.290 -8.528 1.00 0.00 H new ATOM 0 HB VAL A 80 4.932 10.339 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.597 10.409 -10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.858 10.717 -10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.966 12.069 -10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.203 11.069 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.641 12.757 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.652 11.853 -7.393 1.00 0.00 H new ATOM 1295 N ASP A 81 2.125 10.830 -7.986 1.00 0.00 N ATOM 1296 CA ASP A 81 0.798 10.325 -8.309 1.00 0.00 C ATOM 1297 C ASP A 81 -0.233 10.953 -7.388 1.00 0.00 C ATOM 1298 O ASP A 81 0.068 11.282 -6.240 1.00 0.00 O ATOM 1299 CB ASP A 81 0.753 8.799 -8.174 1.00 0.00 C ATOM 1300 CG ASP A 81 -0.350 8.169 -9.005 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -1.519 8.185 -8.569 1.00 0.00 O ATOM 1302 OD2 ASP A 81 -0.053 7.643 -10.099 1.00 0.00 O ATOM 0 H ASP A 81 2.612 10.296 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 81 0.569 10.590 -9.341 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.714 8.383 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.609 8.535 -7.126 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.441 11.124 -7.893 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.510 11.713 -7.109 1.00 0.00 C ATOM 1309 C LYS A 82 -3.033 10.699 -6.101 1.00 0.00 C ATOM 1310 O LYS A 82 -3.900 9.885 -6.432 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.637 12.198 -8.026 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.398 13.585 -8.604 1.00 0.00 C ATOM 1313 CD LYS A 82 -2.508 13.534 -9.839 1.00 0.00 C ATOM 1314 CE LYS A 82 -1.230 14.332 -9.637 1.00 0.00 C ATOM 1315 NZ LYS A 82 -0.146 13.887 -10.553 1.00 0.00 N ATOM 0 H LYS A 82 -1.706 10.863 -8.843 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.120 12.574 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.759 11.489 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.572 12.203 -7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.354 14.041 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.936 14.220 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.259 12.498 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.052 13.927 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.433 15.390 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.897 14.229 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.516 13.274 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.558 13.358 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.364 14.717 -10.917 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.453 10.749 -4.897 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.799 9.870 -3.774 1.00 0.00 C ATOM 1331 C GLN A 83 -4.252 9.412 -3.819 1.00 0.00 C ATOM 1332 O GLN A 83 -5.178 10.213 -3.680 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.505 10.587 -2.446 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.250 10.027 -1.239 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.630 8.754 -0.700 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.594 8.783 -0.043 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.265 7.630 -0.974 1.00 0.00 N ATOM 0 H GLN A 83 -1.715 11.415 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.183 8.975 -3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.434 10.535 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.758 11.642 -2.555 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.268 10.778 -0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.286 9.831 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.124 7.650 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.897 6.741 -0.636 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.437 8.116 -4.027 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.764 7.542 -4.061 1.00 0.00 C ATOM 1348 C ILE A 84 -6.267 7.345 -2.641 1.00 0.00 C ATOM 1349 O ILE A 84 -5.738 6.528 -1.895 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.817 6.185 -4.806 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.835 6.146 -5.978 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.229 5.909 -5.300 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -4.031 4.865 -6.041 1.00 0.00 C ATOM 0 H ILE A 84 -3.682 7.447 -4.174 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.397 8.240 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.525 5.409 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.387 6.267 -6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.152 6.992 -5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.251 4.952 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.912 5.875 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.537 6.701 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.354 4.902 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.453 4.753 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.706 4.016 -6.150 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.250 8.128 -2.257 1.00 0.00 N ATOM 1366 CA LYS A 85 -7.843 8.018 -0.936 1.00 0.00 C ATOM 1367 C LYS A 85 -9.350 8.164 -1.047 1.00 0.00 C ATOM 1368 O LYS A 85 -9.839 9.112 -1.664 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.276 9.092 -0.011 1.00 0.00 C ATOM 1370 CG LYS A 85 -6.443 8.528 1.124 1.00 0.00 C ATOM 1371 CD LYS A 85 -6.835 9.140 2.454 1.00 0.00 C ATOM 1372 CE LYS A 85 -5.848 10.210 2.879 1.00 0.00 C ATOM 1373 NZ LYS A 85 -5.192 9.882 4.168 1.00 0.00 N ATOM 0 H LYS A 85 -7.661 8.854 -2.843 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.605 7.041 -0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.664 9.779 -0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.098 9.674 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.570 7.446 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.387 8.718 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.833 9.572 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.881 8.362 3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.089 10.330 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.365 11.165 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.287 10.390 4.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.810 10.167 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.018 8.858 4.218 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.082 7.229 -0.474 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.532 7.282 -0.515 1.00 0.00 C ATOM 1389 C ILE A 86 -12.038 8.253 0.534 1.00 0.00 C ATOM 1390 O ILE A 86 -11.535 8.275 1.657 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.187 5.905 -0.268 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -11.357 4.782 -0.874 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -13.591 5.882 -0.845 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -10.880 3.767 0.141 1.00 0.00 C ATOM 0 H ILE A 86 -9.699 6.425 0.024 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.807 7.610 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.238 5.746 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.950 4.273 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.492 5.212 -1.379 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -14.042 4.906 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -14.193 6.655 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.547 6.069 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.295 2.997 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.260 4.263 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.740 3.309 0.629 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.008 9.073 0.165 1.00 0.00 N ATOM 1407 CA GLU A 87 -13.614 9.972 1.129 1.00 0.00 C ATOM 1408 C GLU A 87 -14.477 9.165 2.091 1.00 0.00 C ATOM 1409 O GLU A 87 -15.621 8.811 1.792 1.00 0.00 O ATOM 1410 CB GLU A 87 -14.420 11.085 0.441 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.419 10.615 -0.598 1.00 0.00 C ATOM 1412 CD GLU A 87 -15.647 11.644 -1.684 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -15.833 12.832 -1.353 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -15.642 11.270 -2.876 1.00 0.00 O ATOM 0 H GLU A 87 -13.387 9.134 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.825 10.470 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.954 11.649 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.723 11.774 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.063 9.688 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.367 10.389 -0.110 1.00 0.00 H new