USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 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 19 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.1) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -172:sc= 0.00785 (180deg=0) USER MOD Set 2.1: A 32 THR OG1 : rot 113:sc= 0.974 USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= -1.03 F(o=-6!,f=-0.053) 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 29:sc= 0.0113 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 62:sc= 0.0104 USER MOD Single : A 42 ASN :FLIP amide:sc= -2.51! C(o=-5.1!,f=-2.5!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.9!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.35 F(o=-2.6!,f=-1.3) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 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= -0.0654 K(o=-0.065,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.284 1.995 -1.084 1.00 0.00 N ATOM 2 CA CYS A 18 16.283 1.090 -1.644 1.00 0.00 C ATOM 3 C CYS A 18 16.703 -0.326 -1.360 1.00 0.00 C ATOM 4 O CYS A 18 17.859 -0.713 -1.586 1.00 0.00 O ATOM 5 CB CYS A 18 16.093 1.218 -3.169 1.00 0.00 C ATOM 6 SG CYS A 18 16.089 2.922 -3.819 1.00 0.00 S ATOM 0 HA CYS A 18 15.337 1.359 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 18 16.888 0.660 -3.665 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.151 0.741 -3.442 1.00 0.00 H new ATOM 11 N GLN A 19 15.757 -1.081 -0.852 1.00 0.00 N ATOM 12 CA GLN A 19 15.950 -2.474 -0.542 1.00 0.00 C ATOM 13 C GLN A 19 14.773 -3.245 -1.130 1.00 0.00 C ATOM 14 O GLN A 19 13.642 -3.177 -0.634 1.00 0.00 O ATOM 15 CB GLN A 19 16.138 -2.638 0.988 1.00 0.00 C ATOM 16 CG GLN A 19 15.247 -1.738 1.863 1.00 0.00 C ATOM 17 CD GLN A 19 14.048 -2.446 2.445 1.00 0.00 C ATOM 18 OE1 GLN A 19 13.001 -2.554 1.809 1.00 0.00 O ATOM 19 NE2 GLN A 19 14.186 -2.906 3.676 1.00 0.00 N ATOM 0 H GLN A 19 14.820 -0.738 -0.640 1.00 0.00 H new ATOM 0 HA GLN A 19 16.856 -2.885 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.945 -3.678 1.251 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.181 -2.436 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.847 -1.331 2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.904 -0.893 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.074 -2.794 4.166 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.405 -3.373 4.136 1.00 0.00 H new ATOM 28 N LEU A 20 15.071 -3.957 -2.216 1.00 0.00 N ATOM 29 CA LEU A 20 14.072 -4.709 -2.963 1.00 0.00 C ATOM 30 C LEU A 20 14.093 -6.216 -2.683 1.00 0.00 C ATOM 31 O LEU A 20 14.927 -6.974 -3.201 1.00 0.00 O ATOM 32 CB LEU A 20 14.238 -4.410 -4.485 1.00 0.00 C ATOM 33 CG LEU A 20 13.029 -4.675 -5.442 1.00 0.00 C ATOM 34 CD1 LEU A 20 12.977 -6.134 -5.882 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.690 -4.264 -4.827 1.00 0.00 C ATOM 0 H LEU A 20 16.013 -4.027 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 20 13.092 -4.375 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.515 -3.361 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.081 -4.999 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 20 13.194 -4.048 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.126 -6.284 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.897 -6.388 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.871 -6.775 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.886 -4.470 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.521 -4.830 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.707 -3.199 -4.597 1.00 0.00 H new ATOM 47 N PHE A 21 13.164 -6.600 -1.813 1.00 0.00 N ATOM 48 CA PHE A 21 12.889 -7.999 -1.448 1.00 0.00 C ATOM 49 C PHE A 21 11.371 -8.122 -1.226 1.00 0.00 C ATOM 50 O PHE A 21 10.849 -7.768 -0.160 1.00 0.00 O ATOM 51 CB PHE A 21 13.738 -8.484 -0.232 1.00 0.00 C ATOM 52 CG PHE A 21 13.550 -7.741 1.078 1.00 0.00 C ATOM 53 CD1 PHE A 21 14.163 -6.517 1.299 1.00 0.00 C ATOM 54 CD2 PHE A 21 12.771 -8.286 2.091 1.00 0.00 C ATOM 55 CE1 PHE A 21 14.002 -5.853 2.499 1.00 0.00 C ATOM 56 CE2 PHE A 21 12.605 -7.622 3.291 1.00 0.00 C ATOM 57 CZ PHE A 21 13.222 -6.406 3.496 1.00 0.00 C ATOM 0 H PHE A 21 12.563 -5.935 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 21 13.194 -8.667 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.513 -9.537 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.791 -8.424 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.773 -6.078 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.289 -9.241 1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.486 -4.901 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.992 -8.055 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.096 -5.887 4.435 1.00 0.00 H new ATOM 67 N CYS A 22 10.665 -8.591 -2.265 1.00 0.00 N ATOM 68 CA CYS A 22 9.202 -8.683 -2.231 1.00 0.00 C ATOM 69 C CYS A 22 8.661 -10.095 -1.934 1.00 0.00 C ATOM 70 O CYS A 22 8.849 -11.012 -2.747 1.00 0.00 O ATOM 71 CB CYS A 22 8.618 -8.178 -3.560 1.00 0.00 C ATOM 72 SG CYS A 22 9.145 -6.498 -4.061 1.00 0.00 S ATOM 0 H CYS A 22 11.085 -8.912 -3.138 1.00 0.00 H new ATOM 0 HA CYS A 22 8.883 -8.055 -1.399 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.895 -8.878 -4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.530 -8.193 -3.489 1.00 0.00 H new ATOM 77 N PRO A 23 7.996 -10.310 -0.742 1.00 0.00 N ATOM 78 CA PRO A 23 7.362 -11.603 -0.405 1.00 0.00 C ATOM 79 C PRO A 23 5.966 -11.717 -1.045 1.00 0.00 C ATOM 80 O PRO A 23 5.331 -10.689 -1.310 1.00 0.00 O ATOM 81 CB PRO A 23 7.235 -11.578 1.131 1.00 0.00 C ATOM 82 CG PRO A 23 7.806 -10.266 1.591 1.00 0.00 C ATOM 83 CD PRO A 23 7.866 -9.357 0.391 1.00 0.00 C ATOM 0 HA PRO A 23 7.943 -12.450 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.193 -11.674 1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.775 -12.413 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.184 -9.830 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.800 -10.407 2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.969 -8.745 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.714 -8.674 0.444 1.00 0.00 H new ATOM 91 N MET A 24 5.487 -12.950 -1.283 1.00 0.00 N ATOM 92 CA MET A 24 4.165 -13.142 -1.901 1.00 0.00 C ATOM 93 C MET A 24 3.059 -13.256 -0.838 1.00 0.00 C ATOM 94 O MET A 24 2.755 -14.346 -0.331 1.00 0.00 O ATOM 95 CB MET A 24 4.173 -14.376 -2.821 1.00 0.00 C ATOM 96 CG MET A 24 4.861 -14.145 -4.164 1.00 0.00 C ATOM 97 SD MET A 24 4.885 -15.618 -5.208 1.00 0.00 S ATOM 98 CE MET A 24 6.362 -16.450 -4.619 1.00 0.00 C ATOM 0 H MET A 24 5.984 -13.813 -1.062 1.00 0.00 H new ATOM 0 HA MET A 24 3.947 -12.262 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.671 -15.197 -2.306 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.145 -14.689 -3.000 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.351 -13.340 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.885 -13.814 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.503 -17.377 -5.174 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.227 -15.803 -4.766 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.254 -16.676 -3.558 1.00 0.00 H new ATOM 108 N ILE A 25 2.490 -12.088 -0.491 1.00 0.00 N ATOM 109 CA ILE A 25 1.400 -11.975 0.490 1.00 0.00 C ATOM 110 C ILE A 25 0.548 -10.731 0.165 1.00 0.00 C ATOM 111 O ILE A 25 1.057 -9.777 -0.435 1.00 0.00 O ATOM 112 CB ILE A 25 1.944 -11.957 1.979 1.00 0.00 C ATOM 113 CG1 ILE A 25 0.822 -12.229 3.000 1.00 0.00 C ATOM 114 CG2 ILE A 25 2.678 -10.658 2.334 1.00 0.00 C ATOM 115 CD1 ILE A 25 0.717 -13.680 3.425 1.00 0.00 C ATOM 0 H ILE A 25 2.776 -11.192 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 25 0.766 -12.859 0.417 1.00 0.00 H new ATOM 0 HB ILE A 25 2.672 -12.767 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.991 -11.613 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.130 -11.916 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.026 -10.707 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.532 -10.529 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.998 -9.813 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.095 -13.791 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.516 -14.301 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.654 -13.993 3.885 1.00 0.00 H new ATOM 127 N TYR A 26 -0.741 -10.750 0.536 1.00 0.00 N ATOM 128 CA TYR A 26 -1.611 -9.597 0.299 1.00 0.00 C ATOM 129 C TYR A 26 -1.838 -8.841 1.605 1.00 0.00 C ATOM 130 O TYR A 26 -2.660 -9.214 2.454 1.00 0.00 O ATOM 131 CB TYR A 26 -2.923 -10.032 -0.361 1.00 0.00 C ATOM 132 CG TYR A 26 -3.787 -8.900 -0.906 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.619 -8.436 -2.206 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.767 -8.304 -0.119 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.401 -7.412 -2.706 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.553 -7.280 -0.613 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.367 -6.837 -1.905 1.00 0.00 C ATOM 138 OH TYR A 26 -6.147 -5.817 -2.400 1.00 0.00 O ATOM 0 H TYR A 26 -1.195 -11.540 0.994 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.124 -8.914 -0.397 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.690 -10.715 -1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.507 -10.594 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.864 -8.884 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.916 -8.647 0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.257 -7.064 -3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.310 -6.829 0.011 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.778 -5.524 -1.710 1.00 0.00 H new ATOM 148 N ALA A 27 -1.048 -7.783 1.735 1.00 0.00 N ATOM 149 CA ALA A 27 -1.064 -6.897 2.902 1.00 0.00 C ATOM 150 C ALA A 27 -1.094 -5.411 2.482 1.00 0.00 C ATOM 151 O ALA A 27 -0.086 -4.908 1.963 1.00 0.00 O ATOM 152 CB ALA A 27 0.141 -7.178 3.804 1.00 0.00 C ATOM 0 H ALA A 27 -0.368 -7.509 1.026 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.976 -7.101 3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.114 -6.511 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.107 -8.213 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.061 -7.010 3.245 1.00 0.00 H new ATOM 158 N PRO A 28 -2.242 -4.670 2.663 1.00 0.00 N ATOM 159 CA PRO A 28 -2.319 -3.231 2.313 1.00 0.00 C ATOM 160 C PRO A 28 -1.571 -2.340 3.321 1.00 0.00 C ATOM 161 O PRO A 28 -1.699 -2.530 4.536 1.00 0.00 O ATOM 162 CB PRO A 28 -3.829 -2.917 2.344 1.00 0.00 C ATOM 163 CG PRO A 28 -4.518 -4.239 2.453 1.00 0.00 C ATOM 164 CD PRO A 28 -3.555 -5.154 3.153 1.00 0.00 C ATOM 0 HA PRO A 28 -1.852 -3.032 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.078 -2.276 3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.137 -2.389 1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.448 -4.149 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.777 -4.626 1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.637 -5.078 4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.726 -6.199 2.893 1.00 0.00 H new ATOM 172 N ILE A 29 -0.790 -1.383 2.800 1.00 0.00 N ATOM 173 CA ILE A 29 -0.013 -0.462 3.648 1.00 0.00 C ATOM 174 C ILE A 29 -0.353 1.012 3.342 1.00 0.00 C ATOM 175 O ILE A 29 -0.565 1.379 2.182 1.00 0.00 O ATOM 176 CB ILE A 29 1.537 -0.742 3.518 1.00 0.00 C ATOM 177 CG1 ILE A 29 2.362 0.105 4.517 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.049 -0.520 2.083 1.00 0.00 C ATOM 179 CD1 ILE A 29 3.470 -0.659 5.222 1.00 0.00 C ATOM 0 H ILE A 29 -0.678 -1.225 1.798 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.295 -0.647 4.684 1.00 0.00 H new ATOM 0 HB ILE A 29 1.677 -1.794 3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.801 0.948 3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.688 0.518 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.119 -0.724 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.525 -1.191 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.866 0.513 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.997 0.010 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.039 -1.486 5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.170 -1.050 4.483 1.00 0.00 H new ATOM 191 N CYS A 30 -0.396 1.833 4.410 1.00 0.00 N ATOM 192 CA CYS A 30 -0.694 3.263 4.289 1.00 0.00 C ATOM 193 C CYS A 30 0.576 4.093 4.492 1.00 0.00 C ATOM 194 O CYS A 30 1.341 3.851 5.433 1.00 0.00 O ATOM 195 CB CYS A 30 -1.756 3.659 5.320 1.00 0.00 C ATOM 196 SG CYS A 30 -2.832 5.033 4.799 1.00 0.00 S ATOM 0 H CYS A 30 -0.227 1.523 5.367 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.077 3.460 3.288 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.376 2.790 5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.258 3.935 6.249 1.00 0.00 H new ATOM 201 N ALA A 31 0.788 5.069 3.592 1.00 0.00 N ATOM 202 CA ALA A 31 1.954 5.952 3.627 1.00 0.00 C ATOM 203 C ALA A 31 1.544 7.362 3.231 1.00 0.00 C ATOM 204 O ALA A 31 0.844 7.546 2.229 1.00 0.00 O ATOM 205 CB ALA A 31 3.054 5.440 2.708 1.00 0.00 C ATOM 0 H ALA A 31 0.150 5.264 2.820 1.00 0.00 H new ATOM 0 HA ALA A 31 2.348 5.967 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.909 6.115 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.361 4.444 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.681 5.394 1.685 1.00 0.00 H new ATOM 211 N THR A 32 2.011 8.348 3.997 1.00 0.00 N ATOM 212 CA THR A 32 1.658 9.748 3.751 1.00 0.00 C ATOM 213 C THR A 32 2.892 10.623 3.550 1.00 0.00 C ATOM 214 O THR A 32 3.857 10.542 4.317 1.00 0.00 O ATOM 215 CB THR A 32 0.774 10.353 4.897 1.00 0.00 C ATOM 216 OG1 THR A 32 0.473 11.728 4.615 1.00 0.00 O ATOM 217 CG2 THR A 32 1.425 10.267 6.285 1.00 0.00 C ATOM 0 H THR A 32 2.634 8.205 4.792 1.00 0.00 H new ATOM 0 HA THR A 32 1.074 9.744 2.830 1.00 0.00 H new ATOM 0 HB THR A 32 -0.134 9.750 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.486 11.823 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.758 10.704 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.612 9.223 6.535 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.368 10.813 6.279 1.00 0.00 H new ATOM 225 N ASP A 33 2.837 11.447 2.507 1.00 0.00 N ATOM 226 CA ASP A 33 3.919 12.403 2.218 1.00 0.00 C ATOM 227 C ASP A 33 3.451 13.851 2.476 1.00 0.00 C ATOM 228 O ASP A 33 3.821 14.787 1.751 1.00 0.00 O ATOM 229 CB ASP A 33 4.473 12.213 0.784 1.00 0.00 C ATOM 230 CG ASP A 33 3.428 12.188 -0.326 1.00 0.00 C ATOM 231 OD1 ASP A 33 2.517 11.333 -0.276 1.00 0.00 O ATOM 232 OD2 ASP A 33 3.535 13.018 -1.254 1.00 0.00 O ATOM 0 H ASP A 33 2.061 11.477 1.846 1.00 0.00 H new ATOM 0 HA ASP A 33 4.745 12.201 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.179 13.017 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.035 11.280 0.751 1.00 0.00 H new ATOM 237 N GLY A 34 2.647 14.018 3.547 1.00 0.00 N ATOM 238 CA GLY A 34 2.098 15.333 3.913 1.00 0.00 C ATOM 239 C GLY A 34 0.732 15.578 3.281 1.00 0.00 C ATOM 240 O GLY A 34 -0.133 16.235 3.867 1.00 0.00 O ATOM 0 H GLY A 34 2.367 13.260 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.013 15.401 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.789 16.115 3.598 1.00 0.00 H new ATOM 244 N VAL A 35 0.575 15.030 2.071 1.00 0.00 N ATOM 245 CA VAL A 35 -0.644 15.096 1.262 1.00 0.00 C ATOM 246 C VAL A 35 -1.509 13.856 1.537 1.00 0.00 C ATOM 247 O VAL A 35 -1.039 12.933 2.219 1.00 0.00 O ATOM 248 CB VAL A 35 -0.334 15.209 -0.258 1.00 0.00 C ATOM 249 CG1 VAL A 35 0.056 16.634 -0.631 1.00 0.00 C ATOM 250 CG2 VAL A 35 0.742 14.223 -0.706 1.00 0.00 C ATOM 0 H VAL A 35 1.322 14.509 1.612 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.186 15.998 1.546 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.251 14.948 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.268 16.686 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.764 17.310 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.944 16.927 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.922 14.342 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.664 14.418 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.409 13.205 -0.505 1.00 0.00 H new ATOM 260 N SER A 36 -2.770 13.834 1.040 1.00 0.00 N ATOM 261 CA SER A 36 -3.662 12.677 1.254 1.00 0.00 C ATOM 262 C SER A 36 -2.934 11.401 0.811 1.00 0.00 C ATOM 263 O SER A 36 -2.401 11.319 -0.301 1.00 0.00 O ATOM 264 CB SER A 36 -4.980 12.851 0.483 1.00 0.00 C ATOM 265 OG SER A 36 -4.751 13.150 -0.887 1.00 0.00 O ATOM 0 H SER A 36 -3.184 14.592 0.498 1.00 0.00 H new ATOM 0 HA SER A 36 -3.912 12.603 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.571 11.939 0.563 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.565 13.651 0.937 1.00 0.00 H new ATOM 0 HG SER A 36 -3.899 12.756 -1.170 1.00 0.00 H new ATOM 271 N GLN A 37 -2.931 10.423 1.722 1.00 0.00 N ATOM 272 CA GLN A 37 -2.174 9.175 1.575 1.00 0.00 C ATOM 273 C GLN A 37 -2.813 8.148 0.652 1.00 0.00 C ATOM 274 O GLN A 37 -4.004 8.212 0.329 1.00 0.00 O ATOM 275 CB GLN A 37 -1.909 8.538 2.956 1.00 0.00 C ATOM 276 CG GLN A 37 -2.973 8.793 4.019 1.00 0.00 C ATOM 277 CD GLN A 37 -2.694 10.017 4.890 1.00 0.00 C ATOM 278 OE1 GLN A 37 -2.187 11.091 4.283 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.954 10.003 6.092 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.460 10.476 2.592 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.237 9.465 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.804 7.461 2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.954 8.908 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.939 8.919 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.052 7.914 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.341 9.162 6.520 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.783 10.832 6.661 1.00 0.00 H new ATOM 288 N ARG A 38 -1.961 7.203 0.247 1.00 0.00 N ATOM 289 CA ARG A 38 -2.334 6.121 -0.654 1.00 0.00 C ATOM 290 C ARG A 38 -2.012 4.758 -0.033 1.00 0.00 C ATOM 291 O ARG A 38 -1.116 4.642 0.813 1.00 0.00 O ATOM 292 CB ARG A 38 -1.609 6.285 -1.995 1.00 0.00 C ATOM 293 CG ARG A 38 -2.432 5.823 -3.185 1.00 0.00 C ATOM 294 CD ARG A 38 -1.610 5.767 -4.467 1.00 0.00 C ATOM 295 NE ARG A 38 -0.778 4.556 -4.547 1.00 0.00 N ATOM 296 CZ ARG A 38 -0.128 4.140 -5.647 1.00 0.00 C ATOM 297 NH1 ARG A 38 -0.192 4.824 -6.791 1.00 0.00 N ATOM 298 NH2 ARG A 38 0.593 3.030 -5.598 1.00 0.00 N ATOM 0 H ARG A 38 -0.985 7.171 0.541 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.410 6.167 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.344 7.334 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.676 5.722 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.846 4.836 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.275 6.499 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.279 5.802 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.971 6.648 -4.525 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.688 3.989 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.742 5.681 -6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.310 4.490 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.652 2.498 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.089 2.707 -6.429 1.00 0.00 H new ATOM 312 N THR A 39 -2.753 3.738 -0.476 1.00 0.00 N ATOM 313 CA THR A 39 -2.581 2.369 0.013 1.00 0.00 C ATOM 314 C THR A 39 -2.037 1.463 -1.093 1.00 0.00 C ATOM 315 O THR A 39 -2.569 1.439 -2.209 1.00 0.00 O ATOM 316 CB THR A 39 -3.910 1.773 0.556 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.839 2.817 0.885 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.665 0.919 1.797 1.00 0.00 C ATOM 0 H THR A 39 -3.485 3.838 -1.180 1.00 0.00 H new ATOM 0 HA THR A 39 -1.865 2.416 0.834 1.00 0.00 H new ATOM 0 HB THR A 39 -4.329 1.147 -0.232 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.669 2.421 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.613 0.516 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.993 0.098 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.215 1.532 2.578 1.00 0.00 H new ATOM 326 N PHE A 40 -0.966 0.729 -0.760 1.00 0.00 N ATOM 327 CA PHE A 40 -0.317 -0.208 -1.689 1.00 0.00 C ATOM 328 C PHE A 40 -0.749 -1.651 -1.387 1.00 0.00 C ATOM 329 O PHE A 40 -1.402 -1.909 -0.369 1.00 0.00 O ATOM 330 CB PHE A 40 1.217 -0.089 -1.588 1.00 0.00 C ATOM 331 CG PHE A 40 1.812 1.192 -2.141 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.623 2.411 -1.497 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.581 1.168 -3.297 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.187 3.570 -1.994 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.144 2.327 -3.797 1.00 0.00 C ATOM 336 CZ PHE A 40 2.948 3.528 -3.146 1.00 0.00 C ATOM 0 H PHE A 40 -0.526 0.768 0.159 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.626 0.047 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.502 -0.178 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.664 -0.933 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.028 2.452 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.741 0.232 -3.812 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.033 4.508 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.738 2.293 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.389 4.433 -3.537 1.00 0.00 H new ATOM 346 N SER A 41 -0.372 -2.586 -2.278 1.00 0.00 N ATOM 347 CA SER A 41 -0.702 -4.010 -2.122 1.00 0.00 C ATOM 348 C SER A 41 0.259 -4.718 -1.150 1.00 0.00 C ATOM 349 O SER A 41 -0.077 -5.779 -0.612 1.00 0.00 O ATOM 350 CB SER A 41 -0.676 -4.703 -3.490 1.00 0.00 C ATOM 351 OG SER A 41 -1.273 -5.988 -3.434 1.00 0.00 O ATOM 0 H SER A 41 0.166 -2.376 -3.119 1.00 0.00 H new ATOM 0 HA SER A 41 -1.704 -4.076 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.202 -4.088 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.355 -4.794 -3.833 1.00 0.00 H new ATOM 0 HG SER A 41 -2.213 -5.901 -3.171 1.00 0.00 H new ATOM 357 N ASN A 42 1.453 -4.119 -0.930 1.00 0.00 N ATOM 358 CA ASN A 42 2.480 -4.684 -0.027 1.00 0.00 C ATOM 359 C ASN A 42 3.621 -3.667 0.214 1.00 0.00 C ATOM 360 O ASN A 42 3.886 -2.844 -0.671 1.00 0.00 O ATOM 361 CB ASN A 42 3.070 -5.996 -0.606 1.00 0.00 C ATOM 362 CG ASN A 42 3.343 -7.047 0.454 1.00 0.00 C ATOM 363 OD1 ASN A 42 2.295 -7.737 0.883 1.00 0.00 O flip ATOM 364 ND2 ASN A 42 4.479 -7.225 0.891 1.00 0.00 N flip ATOM 0 H ASN A 42 1.728 -3.240 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 42 1.994 -4.906 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.378 -6.404 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.998 -5.769 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.256 -6.671 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 42 4.644 -7.927 1.613 1.00 0.00 H new ATOM 371 N PRO A 43 4.322 -3.693 1.414 1.00 0.00 N ATOM 372 CA PRO A 43 5.446 -2.760 1.726 1.00 0.00 C ATOM 373 C PRO A 43 6.571 -2.722 0.674 1.00 0.00 C ATOM 374 O PRO A 43 7.198 -1.673 0.490 1.00 0.00 O ATOM 375 CB PRO A 43 5.996 -3.293 3.056 1.00 0.00 C ATOM 376 CG PRO A 43 4.833 -3.950 3.701 1.00 0.00 C ATOM 377 CD PRO A 43 4.056 -4.584 2.581 1.00 0.00 C ATOM 0 HA PRO A 43 5.082 -1.733 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.811 -3.998 2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.390 -2.487 3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.157 -4.697 4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.223 -3.226 4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.390 -5.604 2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.992 -4.635 2.811 1.00 0.00 H new ATOM 385 N CYS A 44 6.816 -3.857 -0.020 1.00 0.00 N ATOM 386 CA CYS A 44 7.866 -3.935 -1.056 1.00 0.00 C ATOM 387 C CYS A 44 7.463 -3.202 -2.346 1.00 0.00 C ATOM 388 O CYS A 44 8.322 -2.659 -3.048 1.00 0.00 O ATOM 389 CB CYS A 44 8.208 -5.388 -1.378 1.00 0.00 C ATOM 390 SG CYS A 44 9.739 -5.575 -2.350 1.00 0.00 S ATOM 0 H CYS A 44 6.302 -4.727 0.119 1.00 0.00 H new ATOM 0 HA CYS A 44 8.746 -3.439 -0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.308 -5.945 -0.446 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.380 -5.835 -1.929 1.00 0.00 H new ATOM 395 N ASP A 45 6.149 -3.200 -2.643 1.00 0.00 N ATOM 396 CA ASP A 45 5.588 -2.518 -3.828 1.00 0.00 C ATOM 397 C ASP A 45 5.661 -0.991 -3.675 1.00 0.00 C ATOM 398 O ASP A 45 5.662 -0.255 -4.667 1.00 0.00 O ATOM 399 CB ASP A 45 4.135 -2.947 -4.058 1.00 0.00 C ATOM 400 CG ASP A 45 4.018 -4.355 -4.616 1.00 0.00 C ATOM 401 OD1 ASP A 45 4.019 -4.505 -5.856 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.927 -5.306 -3.811 1.00 0.00 O ATOM 0 H ASP A 45 5.447 -3.669 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 45 6.187 -2.808 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.590 -2.888 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.659 -2.248 -4.746 1.00 0.00 H new ATOM 407 N LEU A 46 5.712 -0.542 -2.408 1.00 0.00 N ATOM 408 CA LEU A 46 5.784 0.862 -2.038 1.00 0.00 C ATOM 409 C LEU A 46 7.201 1.439 -2.193 1.00 0.00 C ATOM 410 O LEU A 46 7.389 2.457 -2.859 1.00 0.00 O ATOM 411 CB LEU A 46 5.341 0.974 -0.570 1.00 0.00 C ATOM 412 CG LEU A 46 5.466 2.362 0.040 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.203 2.758 0.764 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.662 2.436 0.977 1.00 0.00 C ATOM 0 H LEU A 46 5.704 -1.168 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 46 5.137 1.436 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.302 0.654 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.932 0.278 0.025 1.00 0.00 H new ATOM 0 HG LEU A 46 5.622 3.068 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.324 3.755 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.368 2.761 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.003 2.045 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.731 3.438 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.540 1.710 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.573 2.214 0.422 1.00 0.00 H new ATOM 426 N LYS A 47 8.179 0.746 -1.583 1.00 0.00 N ATOM 427 CA LYS A 47 9.596 1.149 -1.561 1.00 0.00 C ATOM 428 C LYS A 47 10.182 1.383 -2.961 1.00 0.00 C ATOM 429 O LYS A 47 11.046 2.247 -3.145 1.00 0.00 O ATOM 430 CB LYS A 47 10.399 0.082 -0.825 1.00 0.00 C ATOM 431 CG LYS A 47 10.241 0.137 0.686 1.00 0.00 C ATOM 432 CD LYS A 47 10.182 -1.256 1.288 1.00 0.00 C ATOM 433 CE LYS A 47 10.325 -1.216 2.800 1.00 0.00 C ATOM 434 NZ LYS A 47 10.279 -2.580 3.397 1.00 0.00 N ATOM 0 H LYS A 47 8.003 -0.125 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 47 9.658 2.106 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.091 -0.902 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.454 0.195 -1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.075 0.688 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.332 0.683 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.236 -1.728 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.975 -1.871 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.267 -0.736 3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.527 -0.607 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.243 -2.504 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.433 -3.079 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.129 -3.110 3.118 1.00 0.00 H new ATOM 448 N VAL A 48 9.701 0.596 -3.929 1.00 0.00 N ATOM 449 CA VAL A 48 10.121 0.693 -5.337 1.00 0.00 C ATOM 450 C VAL A 48 9.628 2.006 -5.979 1.00 0.00 C ATOM 451 O VAL A 48 10.333 2.622 -6.774 1.00 0.00 O ATOM 452 CB VAL A 48 9.605 -0.560 -6.118 1.00 0.00 C ATOM 453 CG1 VAL A 48 8.139 -0.465 -6.554 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.511 -0.897 -7.299 1.00 0.00 C ATOM 0 H VAL A 48 9.006 -0.131 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 48 11.210 0.711 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 48 9.647 -1.382 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.859 -1.373 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.505 -0.351 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.009 0.397 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.122 -1.773 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.542 -0.052 -7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.517 -1.108 -6.937 1.00 0.00 H new ATOM 464 N TYR A 49 8.423 2.417 -5.571 1.00 0.00 N ATOM 465 CA TYR A 49 7.761 3.638 -6.077 1.00 0.00 C ATOM 466 C TYR A 49 8.575 4.913 -5.783 1.00 0.00 C ATOM 467 O TYR A 49 8.801 5.719 -6.676 1.00 0.00 O ATOM 468 CB TYR A 49 6.349 3.749 -5.470 1.00 0.00 C ATOM 469 CG TYR A 49 5.323 4.424 -6.368 1.00 0.00 C ATOM 470 CD1 TYR A 49 4.574 3.686 -7.280 1.00 0.00 C ATOM 471 CD2 TYR A 49 5.103 5.796 -6.298 1.00 0.00 C ATOM 472 CE1 TYR A 49 3.638 4.297 -8.095 1.00 0.00 C ATOM 473 CE2 TYR A 49 4.167 6.411 -7.109 1.00 0.00 C ATOM 474 CZ TYR A 49 3.438 5.657 -8.005 1.00 0.00 C ATOM 475 OH TYR A 49 2.508 6.268 -8.813 1.00 0.00 O ATOM 0 H TYR A 49 7.871 1.914 -4.877 1.00 0.00 H new ATOM 0 HA TYR A 49 7.691 3.552 -7.161 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.994 2.748 -5.224 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.413 4.303 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.726 2.619 -7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.673 6.390 -5.599 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.066 3.710 -8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 49 4.007 7.477 -7.041 1.00 0.00 H new ATOM 0 HH TYR A 49 2.490 7.229 -8.623 1.00 0.00 H new ATOM 485 N ASN A 50 9.023 5.056 -4.528 1.00 0.00 N ATOM 486 CA ASN A 50 9.819 6.219 -4.063 1.00 0.00 C ATOM 487 C ASN A 50 11.268 6.199 -4.565 1.00 0.00 C ATOM 488 O ASN A 50 11.871 7.256 -4.783 1.00 0.00 O ATOM 489 CB ASN A 50 9.820 6.298 -2.524 1.00 0.00 C ATOM 490 CG ASN A 50 9.517 4.978 -1.850 1.00 0.00 C ATOM 491 OD1 ASN A 50 10.418 4.240 -1.455 1.00 0.00 O ATOM 492 ND2 ASN A 50 8.234 4.682 -1.725 1.00 0.00 N ATOM 0 H ASN A 50 8.846 4.368 -3.796 1.00 0.00 H new ATOM 0 HA ASN A 50 9.336 7.100 -4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.794 6.653 -2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.084 7.036 -2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.953 3.806 -1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.525 5.329 -2.070 1.00 0.00 H new ATOM 499 N CYS A 51 11.804 4.983 -4.731 1.00 0.00 N ATOM 500 CA CYS A 51 13.193 4.741 -5.174 1.00 0.00 C ATOM 501 C CYS A 51 13.551 5.431 -6.504 1.00 0.00 C ATOM 502 O CYS A 51 14.518 6.197 -6.560 1.00 0.00 O ATOM 503 CB CYS A 51 13.430 3.230 -5.288 1.00 0.00 C ATOM 504 SG CYS A 51 15.162 2.748 -5.619 1.00 0.00 S ATOM 0 H CYS A 51 11.282 4.124 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 51 13.846 5.182 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.106 2.755 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.800 2.837 -6.085 1.00 0.00 H new ATOM 509 N TRP A 52 12.771 5.154 -7.558 1.00 0.00 N ATOM 510 CA TRP A 52 13.030 5.736 -8.887 1.00 0.00 C ATOM 511 C TRP A 52 12.173 6.973 -9.217 1.00 0.00 C ATOM 512 O TRP A 52 12.439 7.674 -10.200 1.00 0.00 O ATOM 513 CB TRP A 52 12.962 4.652 -9.966 1.00 0.00 C ATOM 514 CG TRP A 52 11.701 3.846 -10.076 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.390 2.697 -9.413 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.623 4.110 -10.957 1.00 0.00 C ATOM 517 NE1 TRP A 52 10.162 2.234 -9.829 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.671 3.091 -10.784 1.00 0.00 C ATOM 519 CE3 TRP A 52 10.374 5.127 -11.869 1.00 0.00 C ATOM 520 CZ2 TRP A 52 8.482 3.060 -11.508 1.00 0.00 C ATOM 521 CZ3 TRP A 52 9.196 5.104 -12.587 1.00 0.00 C ATOM 522 CH2 TRP A 52 8.262 4.073 -12.406 1.00 0.00 C ATOM 0 H TRP A 52 11.961 4.536 -7.520 1.00 0.00 H new ATOM 0 HA TRP A 52 14.047 6.129 -8.864 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.139 5.129 -10.930 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.787 3.960 -9.797 1.00 0.00 H new ATOM 0 HD1 TRP A 52 12.014 2.220 -8.671 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.695 1.395 -9.486 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.090 5.922 -12.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.761 2.269 -11.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.990 5.890 -13.298 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.351 4.077 -12.986 1.00 0.00 H new ATOM 533 N ASN A 53 11.154 7.210 -8.396 1.00 0.00 N ATOM 534 CA ASN A 53 10.275 8.384 -8.511 1.00 0.00 C ATOM 535 C ASN A 53 10.643 9.428 -7.423 1.00 0.00 C ATOM 536 O ASN A 53 10.099 9.380 -6.309 1.00 0.00 O ATOM 537 CB ASN A 53 8.793 7.993 -8.368 1.00 0.00 C ATOM 538 CG ASN A 53 8.288 7.071 -9.460 1.00 0.00 C ATOM 539 OD1 ASN A 53 8.843 5.868 -9.516 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 7.415 7.437 -10.247 1.00 0.00 N flip ATOM 0 H ASN A 53 10.908 6.591 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 53 10.421 8.815 -9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.648 7.509 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.188 8.900 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.016 8.372 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.091 6.805 -10.979 1.00 0.00 H new ATOM 547 N PRO A 54 11.599 10.373 -7.707 1.00 0.00 N ATOM 548 CA PRO A 54 12.021 11.421 -6.732 1.00 0.00 C ATOM 549 C PRO A 54 10.952 12.510 -6.482 1.00 0.00 C ATOM 550 O PRO A 54 10.825 13.020 -5.364 1.00 0.00 O ATOM 551 CB PRO A 54 13.257 12.038 -7.412 1.00 0.00 C ATOM 552 CG PRO A 54 13.009 11.838 -8.868 1.00 0.00 C ATOM 553 CD PRO A 54 12.378 10.481 -8.969 1.00 0.00 C ATOM 0 HA PRO A 54 12.202 10.995 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.361 13.095 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.175 11.545 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.351 12.610 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.937 11.885 -9.437 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.736 10.400 -9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.127 9.693 -9.048 1.00 0.00 H new ATOM 561 N ASP A 55 10.202 12.845 -7.548 1.00 0.00 N ATOM 562 CA ASP A 55 9.144 13.877 -7.507 1.00 0.00 C ATOM 563 C ASP A 55 7.906 13.481 -6.678 1.00 0.00 C ATOM 564 O ASP A 55 7.256 14.360 -6.099 1.00 0.00 O ATOM 565 CB ASP A 55 8.704 14.231 -8.932 1.00 0.00 C ATOM 566 CG ASP A 55 9.705 15.116 -9.653 1.00 0.00 C ATOM 567 OD1 ASP A 55 10.618 14.569 -10.306 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.575 16.354 -9.561 1.00 0.00 O ATOM 0 H ASP A 55 10.311 12.409 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 55 9.589 14.738 -7.008 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.561 13.313 -9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.739 14.737 -8.895 1.00 0.00 H new ATOM 573 N ASN A 56 7.581 12.174 -6.619 1.00 0.00 N ATOM 574 CA ASN A 56 6.406 11.702 -5.864 1.00 0.00 C ATOM 575 C ASN A 56 6.767 10.576 -4.849 1.00 0.00 C ATOM 576 O ASN A 56 6.373 9.416 -5.041 1.00 0.00 O ATOM 577 CB ASN A 56 5.308 11.238 -6.845 1.00 0.00 C ATOM 578 CG ASN A 56 3.908 11.488 -6.324 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.340 10.659 -5.613 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.344 12.630 -6.681 1.00 0.00 N ATOM 0 H ASN A 56 8.110 11.434 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 56 6.029 12.537 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.434 11.756 -7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.432 10.173 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.400 12.853 -6.365 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.853 13.287 -7.272 1.00 0.00 H new ATOM 587 N PRO A 57 7.546 10.890 -3.754 1.00 0.00 N ATOM 588 CA PRO A 57 7.919 9.900 -2.714 1.00 0.00 C ATOM 589 C PRO A 57 6.828 9.699 -1.643 1.00 0.00 C ATOM 590 O PRO A 57 6.007 10.595 -1.421 1.00 0.00 O ATOM 591 CB PRO A 57 9.183 10.511 -2.070 1.00 0.00 C ATOM 592 CG PRO A 57 9.457 11.791 -2.808 1.00 0.00 C ATOM 593 CD PRO A 57 8.158 12.199 -3.443 1.00 0.00 C ATOM 0 HA PRO A 57 8.068 8.912 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.025 10.701 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.029 9.828 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.816 12.563 -2.127 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.230 11.647 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.540 12.788 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.312 12.801 -4.339 1.00 0.00 H new ATOM 601 N TYR A 58 6.833 8.522 -0.992 1.00 0.00 N ATOM 602 CA TYR A 58 5.867 8.212 0.075 1.00 0.00 C ATOM 603 C TYR A 58 6.585 7.826 1.367 1.00 0.00 C ATOM 604 O TYR A 58 7.654 7.205 1.330 1.00 0.00 O ATOM 605 CB TYR A 58 4.910 7.084 -0.342 1.00 0.00 C ATOM 606 CG TYR A 58 3.814 7.519 -1.299 1.00 0.00 C ATOM 607 CD1 TYR A 58 2.615 8.040 -0.822 1.00 0.00 C ATOM 608 CD2 TYR A 58 3.976 7.403 -2.675 1.00 0.00 C ATOM 609 CE1 TYR A 58 1.612 8.431 -1.687 1.00 0.00 C ATOM 610 CE2 TYR A 58 2.977 7.795 -3.546 1.00 0.00 C ATOM 611 CZ TYR A 58 1.798 8.307 -3.048 1.00 0.00 C ATOM 612 OH TYR A 58 0.802 8.696 -3.913 1.00 0.00 O ATOM 0 H TYR A 58 7.495 7.771 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 58 5.281 9.115 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.488 6.286 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.450 6.664 0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.466 8.140 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.897 7.000 -3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.687 8.832 -1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.120 7.701 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 58 1.093 8.544 -4.836 1.00 0.00 H new ATOM 622 N LYS A 59 5.982 8.195 2.506 1.00 0.00 N ATOM 623 CA LYS A 59 6.542 7.902 3.823 1.00 0.00 C ATOM 624 C LYS A 59 5.614 6.944 4.577 1.00 0.00 C ATOM 625 O LYS A 59 4.447 7.265 4.826 1.00 0.00 O ATOM 626 CB LYS A 59 6.766 9.202 4.609 1.00 0.00 C ATOM 627 CG LYS A 59 7.897 10.073 4.072 1.00 0.00 C ATOM 628 CD LYS A 59 8.059 11.349 4.889 1.00 0.00 C ATOM 629 CE LYS A 59 9.212 12.208 4.381 1.00 0.00 C ATOM 630 NZ LYS A 59 8.863 12.943 3.130 1.00 0.00 N ATOM 0 H LYS A 59 5.097 8.702 2.535 1.00 0.00 H new ATOM 0 HA LYS A 59 7.511 7.417 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.842 9.781 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.978 8.952 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.830 9.509 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.697 10.329 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.134 11.924 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.231 11.091 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.496 12.923 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.080 11.575 4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.677 13.513 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.617 12.261 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.051 13.568 3.309 1.00 0.00 H new ATOM 644 N GLU A 60 6.155 5.769 4.949 1.00 0.00 N ATOM 645 CA GLU A 60 5.398 4.701 5.630 1.00 0.00 C ATOM 646 C GLU A 60 4.978 5.044 7.070 1.00 0.00 C ATOM 647 O GLU A 60 5.819 5.331 7.933 1.00 0.00 O ATOM 648 CB GLU A 60 6.221 3.410 5.623 1.00 0.00 C ATOM 649 CG GLU A 60 5.611 2.299 4.785 1.00 0.00 C ATOM 650 CD GLU A 60 6.494 1.067 4.724 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.452 0.260 5.677 1.00 0.00 O ATOM 652 OE2 GLU A 60 7.229 0.912 3.728 1.00 0.00 O ATOM 0 H GLU A 60 7.134 5.532 4.785 1.00 0.00 H new ATOM 0 HA GLU A 60 4.471 4.578 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.220 3.629 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.336 3.058 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.640 2.026 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.434 2.666 3.774 1.00 0.00 H new ATOM 659 N VAL A 61 3.654 5.016 7.292 1.00 0.00 N ATOM 660 CA VAL A 61 3.045 5.278 8.610 1.00 0.00 C ATOM 661 C VAL A 61 2.731 3.972 9.351 1.00 0.00 C ATOM 662 O VAL A 61 3.057 3.838 10.536 1.00 0.00 O ATOM 663 CB VAL A 61 1.714 6.101 8.524 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.756 7.313 9.440 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.382 6.539 7.100 1.00 0.00 C ATOM 0 H VAL A 61 2.972 4.811 6.562 1.00 0.00 H new ATOM 0 HA VAL A 61 3.789 5.863 9.150 1.00 0.00 H new ATOM 0 HB VAL A 61 0.922 5.429 8.855 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.819 7.864 9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.896 6.986 10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.584 7.960 9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.450 7.105 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.187 7.166 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.272 5.660 6.465 1.00 0.00 H new ATOM 675 N LYS A 62 2.104 3.008 8.636 1.00 0.00 N ATOM 676 CA LYS A 62 1.707 1.695 9.203 1.00 0.00 C ATOM 677 C LYS A 62 1.119 0.794 8.111 1.00 0.00 C ATOM 678 O LYS A 62 0.838 1.269 7.004 1.00 0.00 O ATOM 679 CB LYS A 62 0.629 1.887 10.290 1.00 0.00 C ATOM 680 CG LYS A 62 0.726 0.906 11.452 1.00 0.00 C ATOM 681 CD LYS A 62 -0.367 1.149 12.479 1.00 0.00 C ATOM 682 CE LYS A 62 -0.287 0.152 13.623 1.00 0.00 C ATOM 683 NZ LYS A 62 -1.363 0.375 14.628 1.00 0.00 N ATOM 0 H LYS A 62 1.859 3.117 7.652 1.00 0.00 H new ATOM 0 HA LYS A 62 2.598 1.234 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.701 2.902 10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.355 1.791 9.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.652 -0.114 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.702 1.000 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.281 2.162 12.871 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.342 1.075 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.363 -0.861 13.228 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.686 0.233 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.275 -0.325 15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.275 1.333 15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.292 0.273 14.171 1.00 0.00 H new ATOM 697 N VAL A 63 0.922 -0.510 8.424 1.00 0.00 N ATOM 698 CA VAL A 63 0.305 -1.425 7.473 1.00 0.00 C ATOM 699 C VAL A 63 -1.220 -1.482 7.765 1.00 0.00 C ATOM 700 O VAL A 63 -1.680 -2.163 8.691 1.00 0.00 O ATOM 701 CB VAL A 63 1.014 -2.838 7.515 1.00 0.00 C ATOM 702 CG1 VAL A 63 0.914 -3.542 8.876 1.00 0.00 C ATOM 703 CG2 VAL A 63 0.510 -3.748 6.406 1.00 0.00 C ATOM 0 H VAL A 63 1.181 -0.932 9.315 1.00 0.00 H new ATOM 0 HA VAL A 63 0.434 -1.069 6.451 1.00 0.00 H new ATOM 0 HB VAL A 63 2.072 -2.633 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.423 -4.504 8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.382 -2.923 9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.135 -3.699 9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.019 -4.710 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.564 -3.898 6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.713 -3.289 5.438 1.00 0.00 H new ATOM 713 N GLY A 64 -1.972 -0.722 6.961 1.00 0.00 N ATOM 714 CA GLY A 64 -3.420 -0.644 7.102 1.00 0.00 C ATOM 715 C GLY A 64 -4.025 0.389 6.169 1.00 0.00 C ATOM 716 O GLY A 64 -3.402 0.789 5.176 1.00 0.00 O ATOM 0 H GLY A 64 -1.594 -0.152 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.858 -1.621 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.671 -0.394 8.133 1.00 0.00 H new ATOM 720 N GLU A 65 -5.252 0.810 6.499 1.00 0.00 N ATOM 721 CA GLU A 65 -5.950 1.862 5.763 1.00 0.00 C ATOM 722 C GLU A 65 -6.092 3.078 6.678 1.00 0.00 C ATOM 723 O GLU A 65 -6.882 3.068 7.634 1.00 0.00 O ATOM 724 CB GLU A 65 -7.323 1.384 5.259 1.00 0.00 C ATOM 725 CG GLU A 65 -7.287 0.733 3.880 1.00 0.00 C ATOM 726 CD GLU A 65 -6.906 -0.736 3.924 1.00 0.00 C ATOM 727 OE1 GLU A 65 -5.697 -1.032 4.005 1.00 0.00 O ATOM 728 OE2 GLU A 65 -7.817 -1.589 3.879 1.00 0.00 O ATOM 0 H GLU A 65 -5.784 0.430 7.282 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.371 2.130 4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.733 0.672 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.004 2.235 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.266 0.834 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.576 1.268 3.251 1.00 0.00 H new ATOM 735 N CYS A 66 -5.298 4.113 6.388 1.00 0.00 N ATOM 736 CA CYS A 66 -5.276 5.327 7.196 1.00 0.00 C ATOM 737 C CYS A 66 -5.888 6.533 6.474 1.00 0.00 C ATOM 738 O CYS A 66 -5.889 6.603 5.240 1.00 0.00 O ATOM 739 CB CYS A 66 -3.830 5.625 7.633 1.00 0.00 C ATOM 740 SG CYS A 66 -2.737 6.338 6.350 1.00 0.00 S ATOM 0 H CYS A 66 -4.659 4.130 5.593 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.898 5.152 8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.861 6.312 8.479 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.381 4.699 7.991 1.00 0.00 H new ATOM 745 N ASP A 67 -6.401 7.474 7.280 1.00 0.00 N ATOM 746 CA ASP A 67 -7.017 8.710 6.784 1.00 0.00 C ATOM 747 C ASP A 67 -6.103 9.922 7.069 1.00 0.00 C ATOM 748 O ASP A 67 -5.074 9.782 7.741 1.00 0.00 O ATOM 749 CB ASP A 67 -8.430 8.900 7.400 1.00 0.00 C ATOM 750 CG ASP A 67 -8.473 8.785 8.922 1.00 0.00 C ATOM 751 OD1 ASP A 67 -8.208 9.798 9.602 1.00 0.00 O ATOM 752 OD2 ASP A 67 -8.772 7.682 9.427 1.00 0.00 O ATOM 0 H ASP A 67 -6.400 7.397 8.297 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.137 8.634 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.811 9.879 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.103 8.157 6.972 1.00 0.00 H new ATOM 757 N ASP A 68 -6.492 11.109 6.559 1.00 0.00 N ATOM 758 CA ASP A 68 -5.713 12.360 6.739 1.00 0.00 C ATOM 759 C ASP A 68 -5.771 12.918 8.187 1.00 0.00 C ATOM 760 O ASP A 68 -5.021 13.843 8.527 1.00 0.00 O ATOM 761 CB ASP A 68 -6.169 13.435 5.721 1.00 0.00 C ATOM 762 CG ASP A 68 -7.673 13.704 5.721 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.120 14.579 6.493 1.00 0.00 O ATOM 764 OD2 ASP A 68 -8.396 13.039 4.949 1.00 0.00 O ATOM 0 H ASP A 68 -7.346 11.231 6.015 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.670 12.104 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.645 14.367 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.868 13.123 4.721 1.00 0.00 H new ATOM 769 N ALA A 69 -6.649 12.338 9.023 1.00 0.00 N ATOM 770 CA ALA A 69 -6.814 12.758 10.424 1.00 0.00 C ATOM 771 C ALA A 69 -5.961 11.906 11.392 1.00 0.00 C ATOM 772 O ALA A 69 -6.148 11.960 12.617 1.00 0.00 O ATOM 773 CB ALA A 69 -8.292 12.700 10.802 1.00 0.00 C ATOM 0 H ALA A 69 -7.261 11.569 8.748 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.457 13.784 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.415 13.011 11.839 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.860 13.367 10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.658 11.680 10.683 1.00 0.00 H new ATOM 779 N ASN A 70 -5.005 11.142 10.829 1.00 0.00 N ATOM 780 CA ASN A 70 -4.117 10.274 11.602 1.00 0.00 C ATOM 781 C ASN A 70 -2.786 10.980 11.918 1.00 0.00 C ATOM 782 O ASN A 70 -2.454 12.007 11.316 1.00 0.00 O ATOM 783 CB ASN A 70 -3.870 8.968 10.821 1.00 0.00 C ATOM 784 CG ASN A 70 -3.660 7.751 11.718 1.00 0.00 C ATOM 785 OD1 ASN A 70 -4.297 7.605 12.765 1.00 0.00 O ATOM 786 ND2 ASN A 70 -2.757 6.868 11.306 1.00 0.00 N ATOM 0 H ASN A 70 -4.832 11.114 9.824 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.596 10.039 12.553 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.719 8.782 10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.995 9.095 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.570 6.033 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.251 7.025 10.434 1.00 0.00 H new ATOM 793 N LYS A 71 -2.040 10.402 12.869 1.00 0.00 N ATOM 794 CA LYS A 71 -0.742 10.934 13.311 1.00 0.00 C ATOM 795 C LYS A 71 0.420 10.326 12.484 1.00 0.00 C ATOM 796 O LYS A 71 0.387 9.123 12.199 1.00 0.00 O ATOM 797 CB LYS A 71 -0.545 10.626 14.803 1.00 0.00 C ATOM 798 CG LYS A 71 0.231 11.690 15.570 1.00 0.00 C ATOM 799 CD LYS A 71 0.353 11.332 17.045 1.00 0.00 C ATOM 800 CE LYS A 71 1.217 12.334 17.804 1.00 0.00 C ATOM 801 NZ LYS A 71 2.674 12.107 17.579 1.00 0.00 N ATOM 0 H LYS A 71 -2.320 9.550 13.355 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.737 12.013 13.156 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.523 10.502 15.268 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.023 9.674 14.899 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.225 11.800 15.137 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.270 12.653 15.468 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.640 11.296 17.493 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.783 10.335 17.142 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.956 13.345 17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.001 12.263 18.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.222 12.811 18.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.930 11.152 17.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.887 12.200 16.565 1.00 0.00 H new ATOM 815 N PRO A 72 1.473 11.131 12.081 1.00 0.00 N ATOM 816 CA PRO A 72 2.620 10.614 11.293 1.00 0.00 C ATOM 817 C PRO A 72 3.565 9.719 12.109 1.00 0.00 C ATOM 818 O PRO A 72 4.013 10.096 13.201 1.00 0.00 O ATOM 819 CB PRO A 72 3.362 11.885 10.828 1.00 0.00 C ATOM 820 CG PRO A 72 2.442 13.022 11.132 1.00 0.00 C ATOM 821 CD PRO A 72 1.632 12.589 12.318 1.00 0.00 C ATOM 0 HA PRO A 72 2.273 9.981 10.476 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.311 11.998 11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.589 11.839 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.003 13.930 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.799 13.243 10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.145 12.794 13.257 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.671 13.101 12.362 1.00 0.00 H new ATOM 829 N VAL A 73 3.842 8.528 11.565 1.00 0.00 N ATOM 830 CA VAL A 73 4.726 7.545 12.204 1.00 0.00 C ATOM 831 C VAL A 73 6.077 7.354 11.431 1.00 0.00 C ATOM 832 O VAL A 73 7.034 6.894 12.064 1.00 0.00 O ATOM 833 CB VAL A 73 4.007 6.160 12.405 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.804 5.227 13.323 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.600 6.338 12.982 1.00 0.00 C ATOM 0 H VAL A 73 3.461 8.219 10.671 1.00 0.00 H new ATOM 0 HA VAL A 73 4.968 7.953 13.185 1.00 0.00 H new ATOM 0 HB VAL A 73 3.939 5.708 11.416 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.271 4.283 13.434 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.786 5.040 12.888 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.923 5.693 14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.132 5.362 13.108 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.664 6.837 13.949 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.001 6.942 12.301 1.00 0.00 H new TER 845 VAL A 73