USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 56 ASN : amide:sc= 0 X(o=-0.45,f=-0.45) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= -0.446 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= -0.152 USER MOD Set 2.2: A 37 GLN : amide:sc= -1.09 K(o=-1.2,f=-3.8!) USER MOD Single : A 19 GLN : amide:sc= -0.839 K(o=-0.84,f=0.63) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.3! C(o=-2.3!,f=-6.4!) USER MOD Single : A 47 LYS NZ :NH3+ -139:sc= -1.46 (180deg=-2.74!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0.00871 USER MOD Single : A 50 ASN : amide:sc= -6.93! K(o=-6.9!,f=-1.9) USER MOD Single : A 53 ASN : amide:sc= -3.16! K(o=-3.2!,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0841 X(o=-0.084,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 16.855 2.694 -1.563 1.00 0.00 N ATOM 2 CA CYS A 18 16.154 1.598 -2.233 1.00 0.00 C ATOM 3 C CYS A 18 16.649 0.301 -1.652 1.00 0.00 C ATOM 4 O CYS A 18 17.862 0.074 -1.537 1.00 0.00 O ATOM 5 CB CYS A 18 16.383 1.541 -3.757 1.00 0.00 C ATOM 6 SG CYS A 18 16.384 3.156 -4.610 1.00 0.00 S ATOM 0 HA CYS A 18 15.089 1.765 -2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.337 1.049 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.608 0.915 -4.201 1.00 0.00 H new ATOM 11 N GLN A 19 15.704 -0.536 -1.281 1.00 0.00 N ATOM 12 CA GLN A 19 15.999 -1.834 -0.733 1.00 0.00 C ATOM 13 C GLN A 19 15.136 -2.882 -1.432 1.00 0.00 C ATOM 14 O GLN A 19 13.920 -2.961 -1.230 1.00 0.00 O ATOM 15 CB GLN A 19 15.831 -1.803 0.807 1.00 0.00 C ATOM 16 CG GLN A 19 14.641 -0.984 1.332 1.00 0.00 C ATOM 17 CD GLN A 19 13.431 -1.828 1.660 1.00 0.00 C ATOM 18 OE1 GLN A 19 13.351 -2.428 2.733 1.00 0.00 O ATOM 19 NE2 GLN A 19 12.467 -1.858 0.753 1.00 0.00 N ATOM 0 H GLN A 19 14.707 -0.331 -1.353 1.00 0.00 H new ATOM 0 HA GLN A 19 17.037 -2.112 -0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.728 -2.828 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.745 -1.403 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.949 -0.441 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.364 -0.239 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.575 -1.346 -0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.617 -2.393 0.930 1.00 0.00 H new ATOM 28 N LEU A 20 15.804 -3.664 -2.286 1.00 0.00 N ATOM 29 CA LEU A 20 15.166 -4.724 -3.072 1.00 0.00 C ATOM 30 C LEU A 20 14.867 -5.968 -2.220 1.00 0.00 C ATOM 31 O LEU A 20 15.726 -6.828 -1.975 1.00 0.00 O ATOM 32 CB LEU A 20 16.078 -5.070 -4.291 1.00 0.00 C ATOM 33 CG LEU A 20 15.456 -5.798 -5.527 1.00 0.00 C ATOM 34 CD1 LEU A 20 15.338 -7.302 -5.297 1.00 0.00 C ATOM 35 CD2 LEU A 20 14.100 -5.218 -5.928 1.00 0.00 C ATOM 0 H LEU A 20 16.807 -3.579 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 20 14.203 -4.365 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.518 -4.138 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.896 -5.689 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 20 16.146 -5.627 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.901 -7.772 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.328 -7.721 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.700 -7.489 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.713 -5.760 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.402 -5.315 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.216 -4.165 -6.183 1.00 0.00 H new ATOM 47 N PHE A 21 13.620 -5.994 -1.761 1.00 0.00 N ATOM 48 CA PHE A 21 13.038 -7.092 -0.982 1.00 0.00 C ATOM 49 C PHE A 21 11.548 -7.184 -1.349 1.00 0.00 C ATOM 50 O PHE A 21 10.768 -6.273 -1.031 1.00 0.00 O ATOM 51 CB PHE A 21 13.312 -6.919 0.553 1.00 0.00 C ATOM 52 CG PHE A 21 12.202 -6.320 1.395 1.00 0.00 C ATOM 53 CD1 PHE A 21 12.051 -4.946 1.500 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.318 -7.140 2.081 1.00 0.00 C ATOM 55 CE1 PHE A 21 11.040 -4.403 2.270 1.00 0.00 C ATOM 56 CE2 PHE A 21 10.306 -6.601 2.853 1.00 0.00 C ATOM 57 CZ PHE A 21 10.167 -5.231 2.947 1.00 0.00 C ATOM 0 H PHE A 21 12.963 -5.231 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 21 13.511 -8.042 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.556 -7.898 0.964 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.198 -6.295 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.731 -4.292 0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.422 -8.213 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.933 -3.331 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.625 -7.251 3.382 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.377 -4.807 3.549 1.00 0.00 H new ATOM 67 N CYS A 22 11.160 -8.243 -2.066 1.00 0.00 N ATOM 68 CA CYS A 22 9.763 -8.400 -2.485 1.00 0.00 C ATOM 69 C CYS A 22 9.124 -9.741 -2.060 1.00 0.00 C ATOM 70 O CYS A 22 9.271 -10.753 -2.762 1.00 0.00 O ATOM 71 CB CYS A 22 9.627 -8.200 -3.998 1.00 0.00 C ATOM 72 SG CYS A 22 9.859 -6.476 -4.534 1.00 0.00 S ATOM 0 H CYS A 22 11.782 -8.994 -2.365 1.00 0.00 H new ATOM 0 HA CYS A 22 9.208 -7.623 -1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.357 -8.830 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.640 -8.539 -4.313 1.00 0.00 H new ATOM 77 N PRO A 23 8.424 -9.779 -0.877 1.00 0.00 N ATOM 78 CA PRO A 23 7.697 -10.977 -0.408 1.00 0.00 C ATOM 79 C PRO A 23 6.276 -11.043 -1.001 1.00 0.00 C ATOM 80 O PRO A 23 5.693 -9.998 -1.316 1.00 0.00 O ATOM 81 CB PRO A 23 7.622 -10.795 1.121 1.00 0.00 C ATOM 82 CG PRO A 23 8.223 -9.450 1.428 1.00 0.00 C ATOM 83 CD PRO A 23 8.327 -8.695 0.125 1.00 0.00 C ATOM 0 HA PRO A 23 8.195 -11.899 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.589 -10.845 1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.168 -11.588 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.602 -8.905 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.206 -9.564 1.885 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.456 -8.063 -0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.202 -8.045 0.103 1.00 0.00 H new ATOM 91 N MET A 24 5.726 -12.255 -1.147 1.00 0.00 N ATOM 92 CA MET A 24 4.379 -12.418 -1.706 1.00 0.00 C ATOM 93 C MET A 24 3.368 -12.788 -0.607 1.00 0.00 C ATOM 94 O MET A 24 3.178 -13.968 -0.276 1.00 0.00 O ATOM 95 CB MET A 24 4.399 -13.469 -2.830 1.00 0.00 C ATOM 96 CG MET A 24 3.505 -13.127 -4.017 1.00 0.00 C ATOM 97 SD MET A 24 3.643 -14.325 -5.358 1.00 0.00 S ATOM 98 CE MET A 24 2.415 -13.696 -6.500 1.00 0.00 C ATOM 0 H MET A 24 6.187 -13.128 -0.889 1.00 0.00 H new ATOM 0 HA MET A 24 4.059 -11.468 -2.133 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.423 -13.589 -3.183 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.089 -14.430 -2.420 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.468 -13.078 -3.684 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.767 -12.137 -4.391 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.381 -14.332 -7.384 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.438 -13.692 -6.018 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.678 -12.680 -6.794 1.00 0.00 H new ATOM 108 N ILE A 25 2.746 -11.744 -0.025 1.00 0.00 N ATOM 109 CA ILE A 25 1.738 -11.902 1.042 1.00 0.00 C ATOM 110 C ILE A 25 0.764 -10.721 1.001 1.00 0.00 C ATOM 111 O ILE A 25 1.202 -9.576 0.924 1.00 0.00 O ATOM 112 CB ILE A 25 2.406 -12.071 2.462 1.00 0.00 C ATOM 113 CG1 ILE A 25 1.394 -12.554 3.522 1.00 0.00 C ATOM 114 CG2 ILE A 25 3.128 -10.809 2.953 1.00 0.00 C ATOM 115 CD1 ILE A 25 1.362 -14.059 3.700 1.00 0.00 C ATOM 0 H ILE A 25 2.927 -10.773 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 25 1.178 -12.820 0.863 1.00 0.00 H new ATOM 0 HB ILE A 25 3.166 -12.841 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.635 -12.090 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.398 -12.210 3.243 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.563 -10.997 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.918 -10.545 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.416 -9.987 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.627 -14.320 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.090 -14.531 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.346 -14.410 4.011 1.00 0.00 H new ATOM 127 N TYR A 26 -0.544 -10.984 1.130 1.00 0.00 N ATOM 128 CA TYR A 26 -1.526 -9.897 1.064 1.00 0.00 C ATOM 129 C TYR A 26 -1.657 -9.192 2.413 1.00 0.00 C ATOM 130 O TYR A 26 -2.358 -9.626 3.337 1.00 0.00 O ATOM 131 CB TYR A 26 -2.871 -10.419 0.551 1.00 0.00 C ATOM 132 CG TYR A 26 -3.869 -9.347 0.131 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.886 -8.855 -1.171 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.791 -8.834 1.036 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.791 -7.883 -1.554 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.698 -7.863 0.658 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.695 -7.391 -0.637 1.00 0.00 C ATOM 138 OH TYR A 26 -6.597 -6.423 -1.014 1.00 0.00 O ATOM 0 H TYR A 26 -0.937 -11.914 1.277 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.172 -9.151 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.687 -11.074 -0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.326 -11.030 1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.181 -9.239 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.798 -9.201 2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.790 -7.510 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.407 -7.475 1.375 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.163 -6.187 -0.249 1.00 0.00 H new ATOM 148 N ALA A 27 -0.913 -8.098 2.467 1.00 0.00 N ATOM 149 CA ALA A 27 -0.842 -7.201 3.617 1.00 0.00 C ATOM 150 C ALA A 27 -0.951 -5.735 3.149 1.00 0.00 C ATOM 151 O ALA A 27 0.066 -5.144 2.756 1.00 0.00 O ATOM 152 CB ALA A 27 0.444 -7.437 4.414 1.00 0.00 C ATOM 0 H ALA A 27 -0.323 -7.798 1.690 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.680 -7.413 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.474 -6.757 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.467 -8.467 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.307 -7.255 3.774 1.00 0.00 H new ATOM 158 N PRO A 28 -2.176 -5.108 3.139 1.00 0.00 N ATOM 159 CA PRO A 28 -2.337 -3.697 2.710 1.00 0.00 C ATOM 160 C PRO A 28 -1.620 -2.722 3.654 1.00 0.00 C ATOM 161 O PRO A 28 -1.786 -2.804 4.879 1.00 0.00 O ATOM 162 CB PRO A 28 -3.860 -3.467 2.751 1.00 0.00 C ATOM 163 CG PRO A 28 -4.462 -4.833 2.764 1.00 0.00 C ATOM 164 CD PRO A 28 -3.487 -5.699 3.508 1.00 0.00 C ATOM 0 HA PRO A 28 -1.901 -3.521 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.149 -2.901 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.196 -2.897 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.435 -4.827 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.619 -5.202 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.657 -5.667 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.560 -6.743 3.205 1.00 0.00 H new ATOM 172 N ILE A 29 -0.813 -1.816 3.077 1.00 0.00 N ATOM 173 CA ILE A 29 -0.067 -0.832 3.891 1.00 0.00 C ATOM 174 C ILE A 29 -0.399 0.612 3.506 1.00 0.00 C ATOM 175 O ILE A 29 -0.596 0.926 2.329 1.00 0.00 O ATOM 176 CB ILE A 29 1.481 -1.015 3.772 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.872 -2.491 3.634 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.221 -0.398 4.961 1.00 0.00 C ATOM 179 CD1 ILE A 29 2.263 -2.862 2.228 1.00 0.00 C ATOM 0 H ILE A 29 -0.660 -1.741 2.071 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.381 -1.020 4.918 1.00 0.00 H new ATOM 0 HB ILE A 29 1.780 -0.489 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.703 -2.706 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.036 -3.115 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.294 -0.547 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.006 0.670 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.891 -0.876 5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.530 -3.918 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.425 -2.676 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.118 -2.261 1.917 1.00 0.00 H new ATOM 191 N CYS A 30 -0.451 1.479 4.541 1.00 0.00 N ATOM 192 CA CYS A 30 -0.719 2.913 4.363 1.00 0.00 C ATOM 193 C CYS A 30 0.574 3.717 4.520 1.00 0.00 C ATOM 194 O CYS A 30 1.411 3.395 5.370 1.00 0.00 O ATOM 195 CB CYS A 30 -1.759 3.386 5.377 1.00 0.00 C ATOM 196 SG CYS A 30 -3.105 4.365 4.643 1.00 0.00 S ATOM 0 H CYS A 30 -0.309 1.203 5.513 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.111 3.072 3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.185 2.517 5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.262 3.984 6.141 1.00 0.00 H new ATOM 201 N ALA A 31 0.723 4.754 3.681 1.00 0.00 N ATOM 202 CA ALA A 31 1.900 5.624 3.680 1.00 0.00 C ATOM 203 C ALA A 31 1.483 7.069 3.437 1.00 0.00 C ATOM 204 O ALA A 31 0.582 7.329 2.631 1.00 0.00 O ATOM 205 CB ALA A 31 2.891 5.184 2.605 1.00 0.00 C ATOM 0 H ALA A 31 0.025 5.010 2.983 1.00 0.00 H new ATOM 0 HA ALA A 31 2.384 5.550 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.760 5.842 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.209 4.160 2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.413 5.235 1.627 1.00 0.00 H new ATOM 211 N THR A 32 2.141 8.005 4.131 1.00 0.00 N ATOM 212 CA THR A 32 1.834 9.425 3.983 1.00 0.00 C ATOM 213 C THR A 32 3.099 10.250 3.771 1.00 0.00 C ATOM 214 O THR A 32 4.119 10.037 4.437 1.00 0.00 O ATOM 215 CB THR A 32 1.017 9.986 5.190 1.00 0.00 C ATOM 216 OG1 THR A 32 0.435 11.246 4.837 1.00 0.00 O ATOM 217 CG2 THR A 32 1.848 10.171 6.466 1.00 0.00 C ATOM 0 H THR A 32 2.886 7.802 4.797 1.00 0.00 H new ATOM 0 HA THR A 32 1.209 9.512 3.094 1.00 0.00 H new ATOM 0 HB THR A 32 0.252 9.241 5.408 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.078 11.594 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.213 10.564 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.261 9.210 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.661 10.871 6.272 1.00 0.00 H new ATOM 225 N ASP A 33 3.015 11.162 2.816 1.00 0.00 N ATOM 226 CA ASP A 33 4.122 12.085 2.522 1.00 0.00 C ATOM 227 C ASP A 33 3.654 13.544 2.708 1.00 0.00 C ATOM 228 O ASP A 33 4.161 14.469 2.057 1.00 0.00 O ATOM 229 CB ASP A 33 4.657 11.842 1.097 1.00 0.00 C ATOM 230 CG ASP A 33 6.105 12.283 0.932 1.00 0.00 C ATOM 231 OD1 ASP A 33 6.332 13.473 0.628 1.00 0.00 O ATOM 232 OD2 ASP A 33 7.007 11.436 1.106 1.00 0.00 O ATOM 0 H ASP A 33 2.194 11.290 2.225 1.00 0.00 H new ATOM 0 HA ASP A 33 4.940 11.900 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.574 10.782 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.034 12.379 0.382 1.00 0.00 H new ATOM 237 N GLY A 34 2.696 13.736 3.640 1.00 0.00 N ATOM 238 CA GLY A 34 2.115 15.070 3.897 1.00 0.00 C ATOM 239 C GLY A 34 0.874 15.299 3.039 1.00 0.00 C ATOM 240 O GLY A 34 -0.108 15.911 3.470 1.00 0.00 O ATOM 0 H GLY A 34 2.312 12.991 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.854 15.160 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.856 15.841 3.685 1.00 0.00 H new ATOM 244 N VAL A 35 0.972 14.781 1.809 1.00 0.00 N ATOM 245 CA VAL A 35 -0.067 14.781 0.779 1.00 0.00 C ATOM 246 C VAL A 35 -1.081 13.672 1.097 1.00 0.00 C ATOM 247 O VAL A 35 -0.817 12.868 2.000 1.00 0.00 O ATOM 248 CB VAL A 35 0.530 14.570 -0.644 1.00 0.00 C ATOM 249 CG1 VAL A 35 0.965 15.899 -1.246 1.00 0.00 C ATOM 250 CG2 VAL A 35 1.698 13.577 -0.644 1.00 0.00 C ATOM 0 H VAL A 35 1.827 14.326 1.491 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.559 15.754 0.782 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.260 14.141 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.379 15.730 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.105 16.564 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.723 16.356 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.080 13.464 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.492 13.949 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.354 12.610 -0.276 1.00 0.00 H new ATOM 260 N SER A 36 -2.231 13.623 0.388 1.00 0.00 N ATOM 261 CA SER A 36 -3.257 12.597 0.657 1.00 0.00 C ATOM 262 C SER A 36 -2.606 11.206 0.641 1.00 0.00 C ATOM 263 O SER A 36 -1.719 10.927 -0.175 1.00 0.00 O ATOM 264 CB SER A 36 -4.378 12.676 -0.387 1.00 0.00 C ATOM 265 OG SER A 36 -5.512 11.924 0.014 1.00 0.00 O ATOM 0 H SER A 36 -2.468 14.272 -0.363 1.00 0.00 H new ATOM 0 HA SER A 36 -3.694 12.776 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.664 13.717 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.013 12.304 -1.344 1.00 0.00 H new ATOM 0 HG SER A 36 -6.210 11.995 -0.670 1.00 0.00 H new ATOM 271 N GLN A 37 -3.081 10.351 1.550 1.00 0.00 N ATOM 272 CA GLN A 37 -2.499 9.024 1.796 1.00 0.00 C ATOM 273 C GLN A 37 -2.882 7.984 0.754 1.00 0.00 C ATOM 274 O GLN A 37 -4.001 7.983 0.229 1.00 0.00 O ATOM 275 CB GLN A 37 -2.936 8.533 3.184 1.00 0.00 C ATOM 276 CG GLN A 37 -2.257 9.242 4.355 1.00 0.00 C ATOM 277 CD GLN A 37 -2.826 10.624 4.648 1.00 0.00 C ATOM 278 OE1 GLN A 37 -3.767 10.773 5.429 1.00 0.00 O ATOM 279 NE2 GLN A 37 -2.248 11.640 4.015 1.00 0.00 N ATOM 0 H GLN A 37 -3.886 10.559 2.141 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.417 9.141 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.015 8.660 3.276 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.733 7.465 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.352 8.623 5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.192 9.335 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.471 11.468 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.581 12.592 4.167 1.00 0.00 H new ATOM 288 N ARG A 38 -1.912 7.102 0.480 1.00 0.00 N ATOM 289 CA ARG A 38 -2.074 6.030 -0.495 1.00 0.00 C ATOM 290 C ARG A 38 -1.901 4.657 0.145 1.00 0.00 C ATOM 291 O ARG A 38 -1.218 4.511 1.164 1.00 0.00 O ATOM 292 CB ARG A 38 -1.078 6.197 -1.643 1.00 0.00 C ATOM 293 CG ARG A 38 -1.743 6.556 -2.957 1.00 0.00 C ATOM 294 CD ARG A 38 -0.755 6.571 -4.119 1.00 0.00 C ATOM 295 NE ARG A 38 -0.415 5.219 -4.584 1.00 0.00 N ATOM 296 CZ ARG A 38 0.259 4.937 -5.712 1.00 0.00 C ATOM 297 NH1 ARG A 38 0.686 5.903 -6.525 1.00 0.00 N ATOM 298 NH2 ARG A 38 0.507 3.673 -6.025 1.00 0.00 N ATOM 0 H ARG A 38 -0.997 7.116 0.930 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.089 6.095 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.359 6.973 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.517 5.271 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.538 5.840 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.212 7.536 -2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.180 7.140 -4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.155 7.086 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.714 4.434 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.503 6.880 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.196 5.665 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.187 2.923 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.018 3.450 -6.879 1.00 0.00 H new ATOM 312 N THR A 39 -2.530 3.660 -0.481 1.00 0.00 N ATOM 313 CA THR A 39 -2.477 2.275 -0.013 1.00 0.00 C ATOM 314 C THR A 39 -1.987 1.360 -1.136 1.00 0.00 C ATOM 315 O THR A 39 -2.574 1.324 -2.223 1.00 0.00 O ATOM 316 CB THR A 39 -3.860 1.776 0.496 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.708 2.885 0.829 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.708 0.884 1.726 1.00 0.00 C ATOM 0 H THR A 39 -3.089 3.790 -1.324 1.00 0.00 H new ATOM 0 HA THR A 39 -1.780 2.243 0.825 1.00 0.00 H new ATOM 0 HB THR A 39 -4.311 1.198 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.574 2.552 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.691 0.551 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.098 0.017 1.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.226 1.446 2.526 1.00 0.00 H new ATOM 326 N PHE A 40 -0.894 0.632 -0.859 1.00 0.00 N ATOM 327 CA PHE A 40 -0.297 -0.302 -1.824 1.00 0.00 C ATOM 328 C PHE A 40 -0.815 -1.727 -1.579 1.00 0.00 C ATOM 329 O PHE A 40 -1.307 -2.036 -0.486 1.00 0.00 O ATOM 330 CB PHE A 40 1.246 -0.287 -1.735 1.00 0.00 C ATOM 331 CG PHE A 40 1.905 1.071 -1.911 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.930 1.995 -0.870 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.518 1.414 -3.109 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.548 3.222 -1.027 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.138 2.644 -3.266 1.00 0.00 C ATOM 336 CZ PHE A 40 3.152 3.546 -2.224 1.00 0.00 C ATOM 0 H PHE A 40 -0.403 0.674 0.034 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.588 0.021 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.539 -0.689 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.642 -0.963 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.461 1.751 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.512 0.712 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.558 3.929 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.610 2.895 -4.204 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.635 4.504 -2.344 1.00 0.00 H new ATOM 346 N SER A 41 -0.691 -2.587 -2.603 1.00 0.00 N ATOM 347 CA SER A 41 -1.140 -3.988 -2.527 1.00 0.00 C ATOM 348 C SER A 41 -0.182 -4.869 -1.712 1.00 0.00 C ATOM 349 O SER A 41 -0.603 -5.885 -1.149 1.00 0.00 O ATOM 350 CB SER A 41 -1.284 -4.563 -3.934 1.00 0.00 C ATOM 351 OG SER A 41 -2.466 -4.099 -4.560 1.00 0.00 O ATOM 0 H SER A 41 -0.280 -2.334 -3.501 1.00 0.00 H new ATOM 0 HA SER A 41 -2.103 -3.989 -2.016 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.418 -4.283 -4.534 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.299 -5.652 -3.885 1.00 0.00 H new ATOM 0 HG SER A 41 -2.531 -4.482 -5.460 1.00 0.00 H new ATOM 357 N ASN A 42 1.105 -4.468 -1.658 1.00 0.00 N ATOM 358 CA ASN A 42 2.149 -5.217 -0.927 1.00 0.00 C ATOM 359 C ASN A 42 3.367 -4.303 -0.642 1.00 0.00 C ATOM 360 O ASN A 42 3.515 -3.277 -1.319 1.00 0.00 O ATOM 361 CB ASN A 42 2.621 -6.449 -1.753 1.00 0.00 C ATOM 362 CG ASN A 42 2.490 -7.775 -1.035 1.00 0.00 C ATOM 363 OD1 ASN A 42 3.377 -8.185 -0.289 1.00 0.00 O ATOM 364 ND2 ASN A 42 1.393 -8.476 -1.284 1.00 0.00 N ATOM 0 H ASN A 42 1.448 -3.623 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 42 1.720 -5.559 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.045 -6.493 -2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.664 -6.304 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.262 -9.390 -0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.679 -8.101 -1.909 1.00 0.00 H new ATOM 371 N PRO A 43 4.280 -4.638 0.358 1.00 0.00 N ATOM 372 CA PRO A 43 5.480 -3.806 0.667 1.00 0.00 C ATOM 373 C PRO A 43 6.446 -3.627 -0.517 1.00 0.00 C ATOM 374 O PRO A 43 7.246 -2.690 -0.520 1.00 0.00 O ATOM 375 CB PRO A 43 6.182 -4.575 1.796 1.00 0.00 C ATOM 376 CG PRO A 43 5.113 -5.404 2.412 1.00 0.00 C ATOM 377 CD PRO A 43 4.222 -5.812 1.274 1.00 0.00 C ATOM 0 HA PRO A 43 5.177 -2.792 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.990 -5.195 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.623 -3.894 2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.532 -6.275 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.560 -4.838 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.580 -6.720 0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.204 -6.010 1.610 1.00 0.00 H new ATOM 385 N CYS A 44 6.353 -4.530 -1.518 1.00 0.00 N ATOM 386 CA CYS A 44 7.194 -4.483 -2.731 1.00 0.00 C ATOM 387 C CYS A 44 6.810 -3.294 -3.629 1.00 0.00 C ATOM 388 O CYS A 44 7.680 -2.627 -4.197 1.00 0.00 O ATOM 389 CB CYS A 44 7.057 -5.801 -3.513 1.00 0.00 C ATOM 390 SG CYS A 44 7.997 -5.876 -5.082 1.00 0.00 S ATOM 0 H CYS A 44 5.695 -5.309 -1.507 1.00 0.00 H new ATOM 0 HA CYS A 44 8.231 -4.351 -2.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.383 -6.621 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.002 -5.968 -3.731 1.00 0.00 H new ATOM 395 N ASP A 45 5.491 -3.049 -3.739 1.00 0.00 N ATOM 396 CA ASP A 45 4.930 -1.954 -4.547 1.00 0.00 C ATOM 397 C ASP A 45 5.191 -0.564 -3.934 1.00 0.00 C ATOM 398 O ASP A 45 5.199 0.436 -4.659 1.00 0.00 O ATOM 399 CB ASP A 45 3.422 -2.155 -4.739 1.00 0.00 C ATOM 400 CG ASP A 45 3.093 -3.297 -5.686 1.00 0.00 C ATOM 401 OD1 ASP A 45 2.958 -4.444 -5.209 1.00 0.00 O ATOM 402 OD2 ASP A 45 2.968 -3.041 -6.902 1.00 0.00 O ATOM 0 H ASP A 45 4.782 -3.609 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 45 5.438 -1.985 -5.511 1.00 0.00 H new ATOM 0 HB2 ASP A 45 2.960 -2.348 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.984 -1.234 -5.123 1.00 0.00 H new ATOM 407 N LEU A 46 5.400 -0.509 -2.598 1.00 0.00 N ATOM 408 CA LEU A 46 5.627 0.746 -1.887 1.00 0.00 C ATOM 409 C LEU A 46 7.048 1.299 -2.065 1.00 0.00 C ATOM 410 O LEU A 46 7.216 2.425 -2.524 1.00 0.00 O ATOM 411 CB LEU A 46 5.368 0.503 -0.387 1.00 0.00 C ATOM 412 CG LEU A 46 5.557 1.728 0.504 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.470 1.820 1.554 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.930 1.734 1.169 1.00 0.00 C ATOM 0 H LEU A 46 5.414 -1.333 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 46 4.947 1.488 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.349 0.136 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.035 -0.286 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 46 5.488 2.603 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.634 2.703 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.498 1.894 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.494 0.929 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.027 2.621 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.040 0.841 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.705 1.744 0.403 1.00 0.00 H new ATOM 426 N LYS A 47 8.050 0.471 -1.735 1.00 0.00 N ATOM 427 CA LYS A 47 9.465 0.843 -1.795 1.00 0.00 C ATOM 428 C LYS A 47 9.926 1.221 -3.204 1.00 0.00 C ATOM 429 O LYS A 47 10.774 2.101 -3.384 1.00 0.00 O ATOM 430 CB LYS A 47 10.316 -0.304 -1.218 1.00 0.00 C ATOM 431 CG LYS A 47 9.932 -1.740 -1.633 1.00 0.00 C ATOM 432 CD LYS A 47 10.548 -2.164 -2.964 1.00 0.00 C ATOM 433 CE LYS A 47 11.245 -3.504 -2.839 1.00 0.00 C ATOM 434 NZ LYS A 47 11.690 -4.017 -4.159 1.00 0.00 N ATOM 0 H LYS A 47 7.896 -0.485 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 47 9.599 1.741 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.353 -0.134 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.274 -0.243 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.250 -2.434 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.847 -1.814 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.770 -2.224 -3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.261 -1.409 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.106 -3.406 -2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.569 -4.224 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.508 -5.039 -4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.166 -3.531 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.708 -3.840 -4.275 1.00 0.00 H new ATOM 448 N VAL A 48 9.343 0.527 -4.178 1.00 0.00 N ATOM 449 CA VAL A 48 9.610 0.733 -5.609 1.00 0.00 C ATOM 450 C VAL A 48 9.263 2.166 -6.054 1.00 0.00 C ATOM 451 O VAL A 48 9.981 2.762 -6.854 1.00 0.00 O ATOM 452 CB VAL A 48 8.837 -0.339 -6.441 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.416 0.073 -6.831 1.00 0.00 C ATOM 454 CG2 VAL A 48 9.639 -0.774 -7.664 1.00 0.00 C ATOM 0 H VAL A 48 8.659 -0.208 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 48 10.678 0.610 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 48 8.720 -1.193 -5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.950 -0.727 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.831 0.260 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.453 0.980 -7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.074 -1.521 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.828 0.090 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.588 -1.202 -7.343 1.00 0.00 H new ATOM 464 N TYR A 49 8.182 2.710 -5.475 1.00 0.00 N ATOM 465 CA TYR A 49 7.709 4.067 -5.795 1.00 0.00 C ATOM 466 C TYR A 49 8.649 5.125 -5.212 1.00 0.00 C ATOM 467 O TYR A 49 8.765 6.224 -5.734 1.00 0.00 O ATOM 468 CB TYR A 49 6.289 4.273 -5.248 1.00 0.00 C ATOM 469 CG TYR A 49 5.324 4.905 -6.233 1.00 0.00 C ATOM 470 CD1 TYR A 49 4.570 4.122 -7.101 1.00 0.00 C ATOM 471 CD2 TYR A 49 5.161 6.285 -6.289 1.00 0.00 C ATOM 472 CE1 TYR A 49 3.686 4.694 -7.995 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.279 6.865 -7.181 1.00 0.00 C ATOM 474 CZ TYR A 49 3.544 6.065 -8.031 1.00 0.00 C ATOM 475 OH TYR A 49 2.664 6.639 -8.920 1.00 0.00 O ATOM 0 H TYR A 49 7.615 2.228 -4.778 1.00 0.00 H new ATOM 0 HA TYR A 49 7.697 4.176 -6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.890 3.308 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.343 4.900 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.678 3.048 -7.075 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.734 6.914 -5.624 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.109 4.071 -8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.166 7.939 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 49 2.683 7.613 -8.816 1.00 0.00 H new ATOM 485 N ASN A 50 9.313 4.754 -4.118 1.00 0.00 N ATOM 486 CA ASN A 50 10.264 5.612 -3.398 1.00 0.00 C ATOM 487 C ASN A 50 11.608 5.750 -4.130 1.00 0.00 C ATOM 488 O ASN A 50 12.266 6.791 -4.037 1.00 0.00 O ATOM 489 CB ASN A 50 10.510 5.040 -1.988 1.00 0.00 C ATOM 490 CG ASN A 50 9.247 4.828 -1.140 1.00 0.00 C ATOM 491 OD1 ASN A 50 9.317 4.823 0.087 1.00 0.00 O ATOM 492 ND2 ASN A 50 8.096 4.651 -1.789 1.00 0.00 N ATOM 0 H ASN A 50 9.206 3.832 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 50 9.820 6.606 -3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.027 4.086 -2.085 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.180 5.713 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.233 4.505 -1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.079 4.662 -2.809 1.00 0.00 H new ATOM 499 N CYS A 51 11.993 4.684 -4.852 1.00 0.00 N ATOM 500 CA CYS A 51 13.271 4.610 -5.566 1.00 0.00 C ATOM 501 C CYS A 51 13.300 5.406 -6.882 1.00 0.00 C ATOM 502 O CYS A 51 14.221 6.202 -7.094 1.00 0.00 O ATOM 503 CB CYS A 51 13.594 3.139 -5.836 1.00 0.00 C ATOM 504 SG CYS A 51 15.325 2.817 -6.313 1.00 0.00 S ATOM 0 H CYS A 51 11.420 3.846 -4.955 1.00 0.00 H new ATOM 0 HA CYS A 51 14.024 5.071 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.364 2.560 -4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.939 2.776 -6.628 1.00 0.00 H new ATOM 509 N TRP A 52 12.299 5.191 -7.757 1.00 0.00 N ATOM 510 CA TRP A 52 12.261 5.878 -9.063 1.00 0.00 C ATOM 511 C TRP A 52 11.445 7.187 -9.087 1.00 0.00 C ATOM 512 O TRP A 52 11.484 7.927 -10.079 1.00 0.00 O ATOM 513 CB TRP A 52 11.866 4.899 -10.180 1.00 0.00 C ATOM 514 CG TRP A 52 10.503 4.269 -10.137 1.00 0.00 C ATOM 515 CD1 TRP A 52 10.186 3.030 -9.662 1.00 0.00 C ATOM 516 CD2 TRP A 52 9.296 4.820 -10.655 1.00 0.00 C ATOM 517 NE1 TRP A 52 8.844 2.789 -9.828 1.00 0.00 N ATOM 518 CE2 TRP A 52 8.274 3.876 -10.440 1.00 0.00 C ATOM 519 CE3 TRP A 52 8.980 6.035 -11.265 1.00 0.00 C ATOM 520 CZ2 TRP A 52 6.956 4.110 -10.824 1.00 0.00 C ATOM 521 CZ3 TRP A 52 7.674 6.268 -11.642 1.00 0.00 C ATOM 522 CH2 TRP A 52 6.674 5.310 -11.423 1.00 0.00 C ATOM 0 H TRP A 52 11.517 4.558 -7.588 1.00 0.00 H new ATOM 0 HA TRP A 52 13.279 6.218 -9.254 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.957 5.427 -11.130 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.602 4.095 -10.191 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.888 2.339 -9.220 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.353 1.942 -9.543 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.744 6.779 -11.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.185 3.373 -10.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.417 7.205 -12.114 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.661 5.522 -11.733 1.00 0.00 H new ATOM 533 N ASN A 53 10.716 7.457 -8.006 1.00 0.00 N ATOM 534 CA ASN A 53 9.940 8.696 -7.858 1.00 0.00 C ATOM 535 C ASN A 53 10.623 9.632 -6.827 1.00 0.00 C ATOM 536 O ASN A 53 10.286 9.587 -5.634 1.00 0.00 O ATOM 537 CB ASN A 53 8.493 8.410 -7.414 1.00 0.00 C ATOM 538 CG ASN A 53 7.716 7.507 -8.354 1.00 0.00 C ATOM 539 OD1 ASN A 53 6.720 7.917 -8.949 1.00 0.00 O ATOM 540 ND2 ASN A 53 8.177 6.272 -8.499 1.00 0.00 N ATOM 0 H ASN A 53 10.644 6.827 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 53 9.907 9.183 -8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.513 7.953 -6.425 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.962 9.357 -7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.702 5.620 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.007 5.974 -7.986 1.00 0.00 H new ATOM 547 N PRO A 54 11.621 10.482 -7.248 1.00 0.00 N ATOM 548 CA PRO A 54 12.322 11.421 -6.326 1.00 0.00 C ATOM 549 C PRO A 54 11.436 12.589 -5.849 1.00 0.00 C ATOM 550 O PRO A 54 11.534 13.025 -4.697 1.00 0.00 O ATOM 551 CB PRO A 54 13.486 11.943 -7.187 1.00 0.00 C ATOM 552 CG PRO A 54 12.978 11.850 -8.586 1.00 0.00 C ATOM 553 CD PRO A 54 12.177 10.581 -8.628 1.00 0.00 C ATOM 0 HA PRO A 54 12.628 10.925 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.746 12.969 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.384 11.341 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.363 12.713 -8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.799 11.822 -9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.387 10.628 -9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.799 9.720 -8.874 1.00 0.00 H new ATOM 561 N ASP A 55 10.572 13.070 -6.762 1.00 0.00 N ATOM 562 CA ASP A 55 9.653 14.189 -6.495 1.00 0.00 C ATOM 563 C ASP A 55 8.385 13.769 -5.720 1.00 0.00 C ATOM 564 O ASP A 55 7.837 14.581 -4.968 1.00 0.00 O ATOM 565 CB ASP A 55 9.254 14.848 -7.822 1.00 0.00 C ATOM 566 CG ASP A 55 9.104 16.356 -7.711 1.00 0.00 C ATOM 567 OD1 ASP A 55 8.002 16.819 -7.348 1.00 0.00 O ATOM 568 OD2 ASP A 55 10.091 17.072 -7.986 1.00 0.00 O ATOM 0 H ASP A 55 10.492 12.692 -7.706 1.00 0.00 H new ATOM 0 HA ASP A 55 10.188 14.894 -5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.006 14.617 -8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.313 14.419 -8.167 1.00 0.00 H new ATOM 573 N ASN A 56 7.926 12.514 -5.902 1.00 0.00 N ATOM 574 CA ASN A 56 6.714 12.029 -5.218 1.00 0.00 C ATOM 575 C ASN A 56 6.960 10.706 -4.432 1.00 0.00 C ATOM 576 O ASN A 56 6.424 9.652 -4.806 1.00 0.00 O ATOM 577 CB ASN A 56 5.569 11.861 -6.237 1.00 0.00 C ATOM 578 CG ASN A 56 4.213 12.232 -5.661 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.778 13.379 -5.760 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.540 11.261 -5.054 1.00 0.00 N ATOM 0 H ASN A 56 8.371 11.827 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 56 6.431 12.778 -4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.771 12.482 -7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.543 10.827 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.625 11.452 -4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.939 10.324 -4.995 1.00 0.00 H new ATOM 587 N PRO A 57 7.793 10.725 -3.331 1.00 0.00 N ATOM 588 CA PRO A 57 8.058 9.527 -2.491 1.00 0.00 C ATOM 589 C PRO A 57 6.951 9.283 -1.440 1.00 0.00 C ATOM 590 O PRO A 57 6.132 10.173 -1.195 1.00 0.00 O ATOM 591 CB PRO A 57 9.395 9.869 -1.789 1.00 0.00 C ATOM 592 CG PRO A 57 9.827 11.198 -2.337 1.00 0.00 C ATOM 593 CD PRO A 57 8.580 11.871 -2.830 1.00 0.00 C ATOM 0 HA PRO A 57 8.090 8.615 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.266 9.917 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.146 9.104 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.315 11.797 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.547 11.071 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.062 12.405 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.791 12.596 -3.616 1.00 0.00 H new ATOM 601 N TYR A 58 6.925 8.076 -0.840 1.00 0.00 N ATOM 602 CA TYR A 58 5.932 7.744 0.191 1.00 0.00 C ATOM 603 C TYR A 58 6.610 7.157 1.424 1.00 0.00 C ATOM 604 O TYR A 58 7.516 6.327 1.305 1.00 0.00 O ATOM 605 CB TYR A 58 4.871 6.771 -0.343 1.00 0.00 C ATOM 606 CG TYR A 58 3.838 7.422 -1.245 1.00 0.00 C ATOM 607 CD1 TYR A 58 2.677 7.982 -0.715 1.00 0.00 C ATOM 608 CD2 TYR A 58 4.022 7.483 -2.623 1.00 0.00 C ATOM 609 CE1 TYR A 58 1.735 8.579 -1.531 1.00 0.00 C ATOM 610 CE2 TYR A 58 3.083 8.080 -3.444 1.00 0.00 C ATOM 611 CZ TYR A 58 1.942 8.625 -2.893 1.00 0.00 C ATOM 612 OH TYR A 58 1.007 9.221 -3.709 1.00 0.00 O ATOM 0 H TYR A 58 7.578 7.322 -1.053 1.00 0.00 H new ATOM 0 HA TYR A 58 5.430 8.670 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.369 5.973 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.361 6.306 0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.511 7.949 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.914 7.057 -3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.841 9.008 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.242 8.119 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 58 1.306 9.169 -4.641 1.00 0.00 H new ATOM 622 N LYS A 59 6.155 7.594 2.605 1.00 0.00 N ATOM 623 CA LYS A 59 6.712 7.135 3.875 1.00 0.00 C ATOM 624 C LYS A 59 5.685 6.281 4.622 1.00 0.00 C ATOM 625 O LYS A 59 4.529 6.684 4.773 1.00 0.00 O ATOM 626 CB LYS A 59 7.164 8.329 4.723 1.00 0.00 C ATOM 627 CG LYS A 59 8.310 9.133 4.117 1.00 0.00 C ATOM 628 CD LYS A 59 8.663 10.335 4.977 1.00 0.00 C ATOM 629 CE LYS A 59 9.784 11.151 4.357 1.00 0.00 C ATOM 630 NZ LYS A 59 10.138 12.332 5.192 1.00 0.00 N ATOM 0 H LYS A 59 5.397 8.270 2.703 1.00 0.00 H new ATOM 0 HA LYS A 59 7.587 6.517 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.313 8.992 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.469 7.967 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.186 8.494 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.032 9.468 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.782 10.964 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.962 9.999 5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.664 10.520 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.483 11.485 3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.907 12.863 4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.306 12.947 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.449 12.012 6.131 1.00 0.00 H new ATOM 644 N GLU A 60 6.137 5.117 5.113 1.00 0.00 N ATOM 645 CA GLU A 60 5.280 4.130 5.796 1.00 0.00 C ATOM 646 C GLU A 60 4.892 4.510 7.242 1.00 0.00 C ATOM 647 O GLU A 60 5.746 4.614 8.131 1.00 0.00 O ATOM 648 CB GLU A 60 5.992 2.768 5.786 1.00 0.00 C ATOM 649 CG GLU A 60 5.077 1.587 5.509 1.00 0.00 C ATOM 650 CD GLU A 60 5.825 0.269 5.446 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.272 -0.108 4.342 1.00 0.00 O ATOM 652 OE2 GLU A 60 5.964 -0.386 6.501 1.00 0.00 O ATOM 0 H GLU A 60 7.114 4.830 5.048 1.00 0.00 H new ATOM 0 HA GLU A 60 4.341 4.096 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.779 2.788 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.478 2.618 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.316 1.531 6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.556 1.750 4.566 1.00 0.00 H new ATOM 659 N VAL A 61 3.576 4.716 7.441 1.00 0.00 N ATOM 660 CA VAL A 61 2.988 5.029 8.755 1.00 0.00 C ATOM 661 C VAL A 61 2.558 3.759 9.512 1.00 0.00 C ATOM 662 O VAL A 61 2.869 3.609 10.698 1.00 0.00 O ATOM 663 CB VAL A 61 1.733 5.963 8.649 1.00 0.00 C ATOM 664 CG1 VAL A 61 2.128 7.422 8.715 1.00 0.00 C ATOM 665 CG2 VAL A 61 0.909 5.713 7.382 1.00 0.00 C ATOM 0 H VAL A 61 2.888 4.669 6.689 1.00 0.00 H new ATOM 0 HA VAL A 61 3.780 5.543 9.300 1.00 0.00 H new ATOM 0 HB VAL A 61 1.106 5.717 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.236 8.044 8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.629 7.621 9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.803 7.654 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.054 6.389 7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.529 5.890 6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.556 4.682 7.375 1.00 0.00 H new ATOM 675 N LYS A 62 1.847 2.845 8.805 1.00 0.00 N ATOM 676 CA LYS A 62 1.325 1.587 9.398 1.00 0.00 C ATOM 677 C LYS A 62 0.666 0.703 8.328 1.00 0.00 C ATOM 678 O LYS A 62 0.505 1.128 7.179 1.00 0.00 O ATOM 679 CB LYS A 62 0.251 1.908 10.461 1.00 0.00 C ATOM 680 CG LYS A 62 0.227 0.954 11.662 1.00 0.00 C ATOM 681 CD LYS A 62 1.143 1.422 12.786 1.00 0.00 C ATOM 682 CE LYS A 62 1.149 0.440 13.946 1.00 0.00 C ATOM 683 NZ LYS A 62 2.072 0.868 15.032 1.00 0.00 N ATOM 0 H LYS A 62 1.621 2.957 7.817 1.00 0.00 H new ATOM 0 HA LYS A 62 2.170 1.063 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.412 2.923 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.729 1.892 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.793 0.871 12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.530 -0.042 11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.157 1.542 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.817 2.401 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.139 0.344 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.445 -0.545 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.047 0.171 15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.040 0.935 14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.775 1.797 15.394 1.00 0.00 H new ATOM 697 N VAL A 63 0.288 -0.536 8.723 1.00 0.00 N ATOM 698 CA VAL A 63 -0.418 -1.447 7.815 1.00 0.00 C ATOM 699 C VAL A 63 -1.927 -1.391 8.117 1.00 0.00 C ATOM 700 O VAL A 63 -2.422 -1.989 9.083 1.00 0.00 O ATOM 701 CB VAL A 63 0.097 -2.923 7.920 1.00 0.00 C ATOM 702 CG1 VAL A 63 1.393 -3.112 7.150 1.00 0.00 C ATOM 703 CG2 VAL A 63 0.291 -3.347 9.370 1.00 0.00 C ATOM 0 H VAL A 63 0.461 -0.916 9.654 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.221 -1.118 6.795 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.670 -3.557 7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.724 -4.146 7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.229 -2.876 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.157 -2.449 7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.649 -4.376 9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.022 -2.693 9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.659 -3.276 9.900 1.00 0.00 H new ATOM 713 N GLY A 64 -2.625 -0.631 7.283 1.00 0.00 N ATOM 714 CA GLY A 64 -4.063 -0.452 7.414 1.00 0.00 C ATOM 715 C GLY A 64 -4.593 0.569 6.425 1.00 0.00 C ATOM 716 O GLY A 64 -3.941 0.870 5.418 1.00 0.00 O ATOM 0 H GLY A 64 -2.212 -0.124 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.565 -1.407 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.299 -0.132 8.429 1.00 0.00 H new ATOM 720 N GLU A 65 -5.789 1.088 6.724 1.00 0.00 N ATOM 721 CA GLU A 65 -6.402 2.150 5.928 1.00 0.00 C ATOM 722 C GLU A 65 -6.378 3.429 6.761 1.00 0.00 C ATOM 723 O GLU A 65 -7.077 3.542 7.779 1.00 0.00 O ATOM 724 CB GLU A 65 -7.829 1.801 5.513 1.00 0.00 C ATOM 725 CG GLU A 65 -8.096 2.013 4.033 1.00 0.00 C ATOM 726 CD GLU A 65 -9.443 1.468 3.600 1.00 0.00 C ATOM 727 OE1 GLU A 65 -10.436 2.225 3.653 1.00 0.00 O ATOM 728 OE2 GLU A 65 -9.506 0.285 3.206 1.00 0.00 O ATOM 0 H GLU A 65 -6.353 0.785 7.518 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.838 2.282 5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.028 0.759 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.526 2.408 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.050 3.079 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.309 1.531 3.453 1.00 0.00 H new ATOM 735 N CYS A 66 -5.551 4.373 6.326 1.00 0.00 N ATOM 736 CA CYS A 66 -5.357 5.634 7.037 1.00 0.00 C ATOM 737 C CYS A 66 -6.078 6.812 6.377 1.00 0.00 C ATOM 738 O CYS A 66 -6.221 6.866 5.152 1.00 0.00 O ATOM 739 CB CYS A 66 -3.858 5.924 7.164 1.00 0.00 C ATOM 740 SG CYS A 66 -2.975 6.159 5.583 1.00 0.00 S ATOM 0 H CYS A 66 -4.997 4.288 5.474 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.801 5.521 8.026 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.728 6.820 7.771 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.390 5.102 7.705 1.00 0.00 H new ATOM 745 N ASP A 67 -6.521 7.747 7.230 1.00 0.00 N ATOM 746 CA ASP A 67 -7.227 8.962 6.803 1.00 0.00 C ATOM 747 C ASP A 67 -6.346 10.212 7.026 1.00 0.00 C ATOM 748 O ASP A 67 -5.254 10.111 7.599 1.00 0.00 O ATOM 749 CB ASP A 67 -8.594 9.086 7.530 1.00 0.00 C ATOM 750 CG ASP A 67 -8.522 8.892 9.044 1.00 0.00 C ATOM 751 OD1 ASP A 67 -8.144 9.850 9.748 1.00 0.00 O ATOM 752 OD2 ASP A 67 -8.846 7.782 9.515 1.00 0.00 O ATOM 0 H ASP A 67 -6.399 7.680 8.240 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.429 8.889 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.015 10.069 7.321 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.282 8.350 7.114 1.00 0.00 H new ATOM 757 N ASP A 68 -6.832 11.386 6.570 1.00 0.00 N ATOM 758 CA ASP A 68 -6.100 12.668 6.697 1.00 0.00 C ATOM 759 C ASP A 68 -6.131 13.264 8.133 1.00 0.00 C ATOM 760 O ASP A 68 -5.535 14.322 8.381 1.00 0.00 O ATOM 761 CB ASP A 68 -6.634 13.696 5.664 1.00 0.00 C ATOM 762 CG ASP A 68 -8.146 13.913 5.721 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.592 14.799 6.480 1.00 0.00 O ATOM 764 OD2 ASP A 68 -8.876 13.195 5.005 1.00 0.00 O ATOM 0 H ASP A 68 -7.736 11.474 6.106 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.053 12.448 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.135 14.651 5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.364 13.362 4.662 1.00 0.00 H new ATOM 769 N ALA A 69 -6.805 12.569 9.066 1.00 0.00 N ATOM 770 CA ALA A 69 -6.916 13.018 10.464 1.00 0.00 C ATOM 771 C ALA A 69 -5.843 12.381 11.374 1.00 0.00 C ATOM 772 O ALA A 69 -5.789 12.670 12.579 1.00 0.00 O ATOM 773 CB ALA A 69 -8.316 12.718 10.991 1.00 0.00 C ATOM 0 H ALA A 69 -7.284 11.689 8.875 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.742 14.094 10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.394 13.052 12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.054 13.243 10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.502 11.645 10.941 1.00 0.00 H new ATOM 779 N ASN A 70 -4.981 11.533 10.784 1.00 0.00 N ATOM 780 CA ASN A 70 -3.908 10.852 11.513 1.00 0.00 C ATOM 781 C ASN A 70 -2.565 11.553 11.304 1.00 0.00 C ATOM 782 O ASN A 70 -2.328 12.165 10.255 1.00 0.00 O ATOM 783 CB ASN A 70 -3.810 9.386 11.071 1.00 0.00 C ATOM 784 CG ASN A 70 -4.890 8.515 11.687 1.00 0.00 C ATOM 785 OD1 ASN A 70 -4.707 7.951 12.765 1.00 0.00 O ATOM 786 ND2 ASN A 70 -6.021 8.402 11.002 1.00 0.00 N ATOM 0 H ASN A 70 -5.013 11.304 9.790 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.150 10.889 12.575 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.882 9.333 9.985 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.831 8.993 11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.783 7.829 11.366 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.129 8.888 10.112 1.00 0.00 H new ATOM 793 N LYS A 71 -1.697 11.445 12.315 1.00 0.00 N ATOM 794 CA LYS A 71 -0.357 12.058 12.291 1.00 0.00 C ATOM 795 C LYS A 71 0.712 11.084 11.721 1.00 0.00 C ATOM 796 O LYS A 71 0.523 9.865 11.815 1.00 0.00 O ATOM 797 CB LYS A 71 0.052 12.561 13.706 1.00 0.00 C ATOM 798 CG LYS A 71 -0.013 11.519 14.839 1.00 0.00 C ATOM 799 CD LYS A 71 -1.347 11.558 15.575 1.00 0.00 C ATOM 800 CE LYS A 71 -1.419 10.490 16.655 1.00 0.00 C ATOM 801 NZ LYS A 71 -2.718 10.521 17.383 1.00 0.00 N ATOM 0 H LYS A 71 -1.899 10.932 13.173 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.406 12.918 11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.070 12.947 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.593 13.399 13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.144 10.523 14.425 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.796 11.701 15.546 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.487 12.541 16.024 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.160 11.413 14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.279 9.508 16.204 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.603 10.634 17.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.726 9.778 18.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.840 11.449 17.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.496 10.358 16.712 1.00 0.00 H new ATOM 815 N PRO A 72 1.852 11.591 11.123 1.00 0.00 N ATOM 816 CA PRO A 72 2.913 10.721 10.554 1.00 0.00 C ATOM 817 C PRO A 72 3.803 10.063 11.622 1.00 0.00 C ATOM 818 O PRO A 72 4.159 10.698 12.621 1.00 0.00 O ATOM 819 CB PRO A 72 3.759 11.679 9.688 1.00 0.00 C ATOM 820 CG PRO A 72 3.006 12.970 9.652 1.00 0.00 C ATOM 821 CD PRO A 72 2.204 13.018 10.919 1.00 0.00 C ATOM 0 HA PRO A 72 2.473 9.890 10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.752 11.818 10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.897 11.279 8.684 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.688 13.818 9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.357 13.019 8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.783 13.417 11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.318 13.645 10.816 1.00 0.00 H new ATOM 829 N VAL A 73 4.142 8.788 11.391 1.00 0.00 N ATOM 830 CA VAL A 73 4.994 8.015 12.308 1.00 0.00 C ATOM 831 C VAL A 73 6.187 7.276 11.609 1.00 0.00 C ATOM 832 O VAL A 73 6.964 6.631 12.326 1.00 0.00 O ATOM 833 CB VAL A 73 4.177 7.002 13.184 1.00 0.00 C ATOM 834 CG1 VAL A 73 3.539 7.716 14.368 1.00 0.00 C ATOM 835 CG2 VAL A 73 3.106 6.250 12.387 1.00 0.00 C ATOM 0 H VAL A 73 3.837 8.265 10.570 1.00 0.00 H new ATOM 0 HA VAL A 73 5.428 8.772 12.961 1.00 0.00 H new ATOM 0 HB VAL A 73 4.889 6.258 13.543 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.976 6.999 14.965 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.317 8.168 14.983 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.866 8.493 14.005 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.575 5.565 13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.400 6.964 11.962 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.580 5.686 11.584 1.00 0.00 H new TER 845 VAL A 73