USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot 29:sc= -3.52! USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.615! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -7.59! C(o=-7.6!,f=-7.2!) USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.133 (180deg=-1.22!) USER MOD Single : A 24 ASN : amide:sc= -6.3! C(o=-6.3!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 33 THR OG1 : rot -170:sc= -1.37! USER MOD Single : A 35 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.68) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -77:sc= -22.7! USER MOD Single : A 42 MET CE :methyl 141:sc= -0.657 (180deg=-2.85!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 33:sc= 0.552 USER MOD Single : A 59 GLN : amide:sc= -0.385 X(o=-0.39,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -142:sc= -1.43! USER MOD Single : A 67 LYS NZ :NH3+ 143:sc= -8.32! (180deg=-13!) USER MOD Single : A 74 SER OG : rot 143:sc= -4.84! USER MOD Single : A 83 LYS NZ :NH3+ 147:sc= -0.122 (180deg=-1.1) USER MOD Single : A 88 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.574 8.526 -6.095 1.00 0.00 N ATOM 11 CA GLU A 2 -8.569 9.463 -5.512 1.00 0.00 C ATOM 12 C GLU A 2 -7.187 8.804 -5.481 1.00 0.00 C ATOM 13 O GLU A 2 -7.061 7.601 -5.587 1.00 0.00 O ATOM 14 CB GLU A 2 -9.064 9.742 -4.093 1.00 0.00 C ATOM 15 CG GLU A 2 -8.386 11.003 -3.553 1.00 0.00 C ATOM 16 CD GLU A 2 -8.925 12.230 -4.291 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.096 12.528 -4.127 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.157 12.850 -5.008 1.00 0.00 O ATOM 0 HA GLU A 2 -8.470 10.378 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.146 9.870 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.844 8.893 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.572 11.099 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.306 10.932 -3.684 1.00 0.00 H new ATOM 25 N TRP A 3 -6.152 9.584 -5.336 1.00 0.00 N ATOM 26 CA TRP A 3 -4.780 9.001 -5.297 1.00 0.00 C ATOM 27 C TRP A 3 -3.835 9.919 -4.516 1.00 0.00 C ATOM 28 O TRP A 3 -3.971 11.126 -4.534 1.00 0.00 O ATOM 29 CB TRP A 3 -4.348 8.907 -6.761 1.00 0.00 C ATOM 30 CG TRP A 3 -4.101 10.281 -7.296 1.00 0.00 C ATOM 31 CD1 TRP A 3 -2.899 10.901 -7.317 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.053 11.212 -7.885 1.00 0.00 C ATOM 33 NE1 TRP A 3 -3.054 12.154 -7.882 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.363 12.392 -8.248 1.00 0.00 C ATOM 35 CE3 TRP A 3 -6.436 11.147 -8.137 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -5.021 13.471 -8.840 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -7.101 12.232 -8.733 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.395 13.391 -9.084 1.00 0.00 C ATOM 0 H TRP A 3 -6.196 10.599 -5.243 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.759 8.030 -4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.444 8.304 -6.847 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -5.120 8.410 -7.348 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.971 10.486 -6.953 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -2.293 12.821 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.989 10.258 -7.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -4.472 14.362 -9.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -8.163 12.173 -8.922 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -6.912 14.221 -9.542 1.00 0.00 H new ATOM 49 N GLU A 4 -2.878 9.355 -3.829 1.00 0.00 N ATOM 50 CA GLU A 4 -1.925 10.195 -3.048 1.00 0.00 C ATOM 51 C GLU A 4 -0.623 9.432 -2.800 1.00 0.00 C ATOM 52 O GLU A 4 -0.430 8.340 -3.294 1.00 0.00 O ATOM 53 CB GLU A 4 -2.634 10.471 -1.723 1.00 0.00 C ATOM 54 CG GLU A 4 -3.857 11.351 -1.972 1.00 0.00 C ATOM 55 CD GLU A 4 -4.377 11.892 -0.639 1.00 0.00 C ATOM 56 OE1 GLU A 4 -4.614 11.092 0.252 1.00 0.00 O ATOM 57 OE2 GLU A 4 -4.532 13.098 -0.529 1.00 0.00 O ATOM 0 H GLU A 4 -2.715 8.350 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.663 11.113 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.937 9.533 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.953 10.965 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.595 12.176 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.636 10.776 -2.472 1.00 0.00 H new ATOM 64 N ILE A 5 0.267 9.998 -2.035 1.00 0.00 N ATOM 65 CA ILE A 5 1.555 9.303 -1.746 1.00 0.00 C ATOM 66 C ILE A 5 1.722 9.116 -0.240 1.00 0.00 C ATOM 67 O ILE A 5 0.955 9.622 0.554 1.00 0.00 O ATOM 68 CB ILE A 5 2.660 10.207 -2.319 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.975 9.992 -1.560 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.255 11.680 -2.210 1.00 0.00 C ATOM 71 CD1 ILE A 5 5.029 10.973 -2.076 1.00 0.00 C ATOM 0 H ILE A 5 0.160 10.913 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 5 1.593 8.310 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 5 2.800 9.946 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.818 10.139 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.321 8.967 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.047 12.306 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.335 11.847 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.094 11.937 -1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.964 10.820 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.193 10.804 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.683 11.995 -1.920 1.00 0.00 H new ATOM 83 N ILE A 6 2.718 8.379 0.150 1.00 0.00 N ATOM 84 CA ILE A 6 2.939 8.138 1.615 1.00 0.00 C ATOM 85 C ILE A 6 3.668 9.320 2.272 1.00 0.00 C ATOM 86 O ILE A 6 3.752 10.399 1.720 1.00 0.00 O ATOM 87 CB ILE A 6 3.794 6.869 1.707 1.00 0.00 C ATOM 88 CG1 ILE A 6 5.278 7.217 1.508 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.348 5.860 0.648 1.00 0.00 C ATOM 90 CD1 ILE A 6 5.508 7.808 0.118 1.00 0.00 C ATOM 0 H ILE A 6 3.391 7.931 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 6 1.989 8.028 2.139 1.00 0.00 H new ATOM 0 HB ILE A 6 3.664 6.427 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.596 7.929 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.887 6.322 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.961 4.962 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.302 5.600 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.463 6.298 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.564 8.048 -0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.210 7.083 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.914 8.715 0.005 1.00 0.00 H new ATOM 102 N ASP A 7 4.201 9.112 3.453 1.00 0.00 N ATOM 103 CA ASP A 7 4.933 10.210 4.153 1.00 0.00 C ATOM 104 C ASP A 7 6.080 9.642 5.000 1.00 0.00 C ATOM 105 O ASP A 7 6.256 10.003 6.146 1.00 0.00 O ATOM 106 CB ASP A 7 3.887 10.881 5.045 1.00 0.00 C ATOM 107 CG ASP A 7 4.312 12.323 5.332 1.00 0.00 C ATOM 108 OD1 ASP A 7 4.997 12.894 4.499 1.00 0.00 O ATOM 109 OD2 ASP A 7 3.945 12.830 6.379 1.00 0.00 O ATOM 0 H ASP A 7 4.159 8.228 3.961 1.00 0.00 H new ATOM 0 HA ASP A 7 5.382 10.912 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.913 10.868 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.781 10.329 5.979 1.00 0.00 H new ATOM 114 N ILE A 8 6.855 8.756 4.433 1.00 0.00 N ATOM 115 CA ILE A 8 8.000 8.147 5.172 1.00 0.00 C ATOM 116 C ILE A 8 7.594 7.864 6.611 1.00 0.00 C ATOM 117 O ILE A 8 8.344 8.087 7.541 1.00 0.00 O ATOM 118 CB ILE A 8 9.124 9.186 5.109 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.418 8.561 5.635 1.00 0.00 C ATOM 120 CG2 ILE A 8 8.762 10.403 5.965 1.00 0.00 C ATOM 121 CD1 ILE A 8 11.600 9.057 4.801 1.00 0.00 C ATOM 0 H ILE A 8 6.742 8.424 3.475 1.00 0.00 H new ATOM 0 HA ILE A 8 8.317 7.198 4.740 1.00 0.00 H new ATOM 0 HB ILE A 8 9.260 9.506 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.562 8.825 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.355 7.474 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.567 11.136 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.840 10.849 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.621 10.091 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.522 8.612 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.456 8.771 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.666 10.143 4.873 1.00 0.00 H new ATOM 133 N GLY A 9 6.403 7.384 6.796 1.00 0.00 N ATOM 134 CA GLY A 9 5.933 7.095 8.182 1.00 0.00 C ATOM 135 C GLY A 9 4.997 5.879 8.220 1.00 0.00 C ATOM 136 O GLY A 9 5.285 4.899 8.883 1.00 0.00 O ATOM 0 H GLY A 9 5.733 7.178 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.792 6.914 8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.414 7.967 8.580 1.00 0.00 H new ATOM 140 N PRO A 10 3.892 5.987 7.534 1.00 0.00 N ATOM 141 CA PRO A 10 2.891 4.899 7.529 1.00 0.00 C ATOM 142 C PRO A 10 3.236 3.819 6.499 1.00 0.00 C ATOM 143 O PRO A 10 3.717 2.758 6.847 1.00 0.00 O ATOM 144 CB PRO A 10 1.597 5.619 7.166 1.00 0.00 C ATOM 145 CG PRO A 10 2.010 6.857 6.422 1.00 0.00 C ATOM 146 CD PRO A 10 3.474 7.113 6.701 1.00 0.00 C ATOM 0 HA PRO A 10 2.835 4.371 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.958 4.987 6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.027 5.872 8.060 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.844 6.730 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.408 7.709 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.052 7.159 5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.619 8.063 7.216 1.00 0.00 H new ATOM 154 N PHE A 11 2.981 4.069 5.242 1.00 0.00 N ATOM 155 CA PHE A 11 3.286 3.043 4.200 1.00 0.00 C ATOM 156 C PHE A 11 4.617 2.352 4.509 1.00 0.00 C ATOM 157 O PHE A 11 4.777 1.168 4.287 1.00 0.00 O ATOM 158 CB PHE A 11 3.361 3.816 2.888 1.00 0.00 C ATOM 159 CG PHE A 11 1.973 4.279 2.511 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.488 5.502 2.991 1.00 0.00 C ATOM 161 CD2 PHE A 11 1.169 3.482 1.687 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.200 5.929 2.645 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.120 3.909 1.343 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.604 5.133 1.823 1.00 0.00 C ATOM 0 H PHE A 11 2.576 4.937 4.892 1.00 0.00 H new ATOM 0 HA PHE A 11 2.531 2.258 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.028 4.672 2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.774 3.184 2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.107 6.116 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.542 2.539 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.173 6.873 3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.741 3.295 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.598 5.462 1.558 1.00 0.00 H new ATOM 174 N THR A 12 5.564 3.072 5.047 1.00 0.00 N ATOM 175 CA THR A 12 6.860 2.448 5.396 1.00 0.00 C ATOM 176 C THR A 12 6.604 1.361 6.435 1.00 0.00 C ATOM 177 O THR A 12 6.872 0.192 6.223 1.00 0.00 O ATOM 178 CB THR A 12 7.695 3.580 6.002 1.00 0.00 C ATOM 179 OG1 THR A 12 7.277 3.816 7.337 1.00 0.00 O ATOM 180 CG2 THR A 12 7.525 4.864 5.185 1.00 0.00 C ATOM 0 H THR A 12 5.490 4.067 5.258 1.00 0.00 H new ATOM 0 HA THR A 12 7.365 1.994 4.543 1.00 0.00 H new ATOM 0 HB THR A 12 8.745 3.287 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.813 4.539 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.124 5.659 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.854 4.690 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.476 5.158 5.184 1.00 0.00 H new ATOM 188 N GLN A 13 6.062 1.748 7.555 1.00 0.00 N ATOM 189 CA GLN A 13 5.757 0.753 8.620 1.00 0.00 C ATOM 190 C GLN A 13 4.656 -0.189 8.138 1.00 0.00 C ATOM 191 O GLN A 13 4.430 -1.243 8.698 1.00 0.00 O ATOM 192 CB GLN A 13 5.280 1.577 9.816 1.00 0.00 C ATOM 193 CG GLN A 13 4.860 0.636 10.947 1.00 0.00 C ATOM 194 CD GLN A 13 4.494 1.456 12.185 1.00 0.00 C ATOM 195 OE1 GLN A 13 5.354 2.024 12.829 1.00 0.00 O ATOM 196 NE2 GLN A 13 3.243 1.544 12.548 1.00 0.00 N ATOM 0 H GLN A 13 5.817 2.712 7.779 1.00 0.00 H new ATOM 0 HA GLN A 13 6.619 0.138 8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.076 2.239 10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.442 2.210 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.009 0.031 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.672 -0.053 11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.521 1.068 12.008 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.988 2.089 13.372 1.00 0.00 H new ATOM 205 N ASN A 14 3.979 0.187 7.093 1.00 0.00 N ATOM 206 CA ASN A 14 2.895 -0.680 6.551 1.00 0.00 C ATOM 207 C ASN A 14 3.506 -1.811 5.740 1.00 0.00 C ATOM 208 O ASN A 14 3.306 -2.976 6.021 1.00 0.00 O ATOM 209 CB ASN A 14 2.058 0.235 5.659 1.00 0.00 C ATOM 210 CG ASN A 14 1.507 1.394 6.492 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.661 1.418 7.698 1.00 0.00 O ATOM 212 ND2 ASN A 14 0.866 2.363 5.898 1.00 0.00 N ATOM 0 H ASN A 14 4.128 1.060 6.587 1.00 0.00 H new ATOM 0 HA ASN A 14 2.290 -1.134 7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.667 0.619 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.238 -0.327 5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.495 3.140 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.736 2.344 4.886 1.00 0.00 H new ATOM 219 N LEU A 15 4.264 -1.468 4.746 1.00 0.00 N ATOM 220 CA LEU A 15 4.919 -2.508 3.908 1.00 0.00 C ATOM 221 C LEU A 15 5.462 -3.612 4.815 1.00 0.00 C ATOM 222 O LEU A 15 5.202 -4.781 4.614 1.00 0.00 O ATOM 223 CB LEU A 15 6.056 -1.775 3.183 1.00 0.00 C ATOM 224 CG LEU A 15 7.151 -2.760 2.751 1.00 0.00 C ATOM 225 CD1 LEU A 15 8.071 -3.055 3.936 1.00 0.00 C ATOM 226 CD2 LEU A 15 6.519 -4.065 2.257 1.00 0.00 C ATOM 0 H LEU A 15 4.462 -0.505 4.473 1.00 0.00 H new ATOM 0 HA LEU A 15 4.239 -2.979 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.662 -1.257 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.482 -1.016 3.839 1.00 0.00 H new ATOM 0 HG LEU A 15 7.729 -2.315 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.848 -3.755 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.532 -2.128 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.490 -3.493 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.304 -4.757 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.932 -4.512 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.870 -3.856 1.406 1.00 0.00 H new ATOM 238 N GLY A 16 6.203 -3.248 5.824 1.00 0.00 N ATOM 239 CA GLY A 16 6.748 -4.282 6.750 1.00 0.00 C ATOM 240 C GLY A 16 5.606 -5.182 7.228 1.00 0.00 C ATOM 241 O GLY A 16 5.642 -6.387 7.070 1.00 0.00 O ATOM 0 H GLY A 16 6.454 -2.285 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.508 -4.877 6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.232 -3.805 7.602 1.00 0.00 H new ATOM 245 N LYS A 17 4.591 -4.603 7.811 1.00 0.00 N ATOM 246 CA LYS A 17 3.441 -5.416 8.302 1.00 0.00 C ATOM 247 C LYS A 17 2.677 -6.032 7.132 1.00 0.00 C ATOM 248 O LYS A 17 2.806 -7.203 6.835 1.00 0.00 O ATOM 249 CB LYS A 17 2.551 -4.425 9.054 1.00 0.00 C ATOM 250 CG LYS A 17 2.511 -4.794 10.537 1.00 0.00 C ATOM 251 CD LYS A 17 3.249 -3.729 11.350 1.00 0.00 C ATOM 252 CE LYS A 17 2.823 -3.819 12.818 1.00 0.00 C ATOM 253 NZ LYS A 17 2.850 -5.273 13.139 1.00 0.00 N ATOM 0 H LYS A 17 4.509 -3.599 7.969 1.00 0.00 H new ATOM 0 HA LYS A 17 3.767 -6.242 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.933 -3.412 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.543 -4.438 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.478 -4.873 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.972 -5.769 10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.326 -3.872 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.027 -2.737 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.503 -3.260 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.828 -3.401 12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.924 -5.400 14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.976 -5.720 12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.669 -5.716 12.676 1.00 0.00 H new ATOM 267 N PHE A 18 1.878 -5.238 6.483 1.00 0.00 N ATOM 268 CA PHE A 18 1.071 -5.729 5.324 1.00 0.00 C ATOM 269 C PHE A 18 1.822 -6.801 4.538 1.00 0.00 C ATOM 270 O PHE A 18 1.408 -7.940 4.461 1.00 0.00 O ATOM 271 CB PHE A 18 0.841 -4.489 4.455 1.00 0.00 C ATOM 272 CG PHE A 18 0.009 -3.469 5.206 1.00 0.00 C ATOM 273 CD1 PHE A 18 -0.605 -3.809 6.421 1.00 0.00 C ATOM 274 CD2 PHE A 18 -0.148 -2.180 4.683 1.00 0.00 C ATOM 275 CE1 PHE A 18 -1.374 -2.860 7.107 1.00 0.00 C ATOM 276 CE2 PHE A 18 -0.917 -1.232 5.370 1.00 0.00 C ATOM 277 CZ PHE A 18 -1.529 -1.573 6.582 1.00 0.00 C ATOM 0 H PHE A 18 1.744 -4.252 6.707 1.00 0.00 H new ATOM 0 HA PHE A 18 0.138 -6.190 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.799 -4.051 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.336 -4.772 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.485 -4.802 6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.325 -1.916 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.847 -3.122 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.038 -0.238 4.965 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.121 -0.842 7.112 1.00 0.00 H new ATOM 287 N ALA A 19 2.916 -6.437 3.956 1.00 0.00 N ATOM 288 CA ALA A 19 3.708 -7.419 3.165 1.00 0.00 C ATOM 289 C ALA A 19 3.776 -8.757 3.898 1.00 0.00 C ATOM 290 O ALA A 19 3.158 -9.715 3.500 1.00 0.00 O ATOM 291 CB ALA A 19 5.101 -6.803 3.040 1.00 0.00 C ATOM 0 H ALA A 19 3.305 -5.495 3.990 1.00 0.00 H new ATOM 0 HA ALA A 19 3.263 -7.615 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.744 -7.471 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.030 -5.843 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.524 -6.655 4.034 1.00 0.00 H new ATOM 297 N VAL A 20 4.519 -8.830 4.967 1.00 0.00 N ATOM 298 CA VAL A 20 4.619 -10.120 5.715 1.00 0.00 C ATOM 299 C VAL A 20 3.253 -10.811 5.775 1.00 0.00 C ATOM 300 O VAL A 20 3.167 -12.019 5.855 1.00 0.00 O ATOM 301 CB VAL A 20 5.103 -9.728 7.112 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.801 -10.857 8.100 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.612 -9.478 7.073 1.00 0.00 C ATOM 0 H VAL A 20 5.060 -8.058 5.356 1.00 0.00 H new ATOM 0 HA VAL A 20 5.298 -10.827 5.237 1.00 0.00 H new ATOM 0 HB VAL A 20 4.588 -8.822 7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.148 -10.573 9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.726 -11.038 8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.314 -11.765 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.960 -9.198 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.123 -10.386 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.829 -8.672 6.372 1.00 0.00 H new ATOM 313 N ASP A 21 2.187 -10.061 5.720 1.00 0.00 N ATOM 314 CA ASP A 21 0.836 -10.691 5.755 1.00 0.00 C ATOM 315 C ASP A 21 0.351 -10.952 4.332 1.00 0.00 C ATOM 316 O ASP A 21 0.291 -12.080 3.894 1.00 0.00 O ATOM 317 CB ASP A 21 -0.066 -9.681 6.464 1.00 0.00 C ATOM 318 CG ASP A 21 -1.183 -10.423 7.199 1.00 0.00 C ATOM 319 OD1 ASP A 21 -0.900 -11.011 8.230 1.00 0.00 O ATOM 320 OD2 ASP A 21 -2.304 -10.390 6.719 1.00 0.00 O ATOM 0 H ASP A 21 2.192 -9.043 5.653 1.00 0.00 H new ATOM 0 HA ASP A 21 0.838 -11.650 6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.517 -9.089 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.492 -8.986 5.740 1.00 0.00 H new ATOM 325 N GLU A 22 0.012 -9.931 3.595 1.00 0.00 N ATOM 326 CA GLU A 22 -0.451 -10.174 2.200 1.00 0.00 C ATOM 327 C GLU A 22 0.595 -10.988 1.456 1.00 0.00 C ATOM 328 O GLU A 22 0.285 -11.756 0.572 1.00 0.00 O ATOM 329 CB GLU A 22 -0.628 -8.793 1.570 1.00 0.00 C ATOM 330 CG GLU A 22 0.687 -8.018 1.657 1.00 0.00 C ATOM 331 CD GLU A 22 0.397 -6.568 2.047 1.00 0.00 C ATOM 332 OE1 GLU A 22 -0.677 -6.321 2.571 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.253 -5.730 1.815 1.00 0.00 O ATOM 0 H GLU A 22 0.034 -8.955 3.891 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.385 -10.736 2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.934 -8.894 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.419 -8.246 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.346 -8.479 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.206 -8.052 0.699 1.00 0.00 H new ATOM 340 N GLU A 23 1.830 -10.850 1.827 1.00 0.00 N ATOM 341 CA GLU A 23 2.894 -11.643 1.156 1.00 0.00 C ATOM 342 C GLU A 23 2.778 -13.097 1.609 1.00 0.00 C ATOM 343 O GLU A 23 2.545 -13.987 0.818 1.00 0.00 O ATOM 344 CB GLU A 23 4.219 -11.027 1.608 1.00 0.00 C ATOM 345 CG GLU A 23 5.330 -11.426 0.635 1.00 0.00 C ATOM 346 CD GLU A 23 6.586 -11.800 1.423 1.00 0.00 C ATOM 347 OE1 GLU A 23 6.460 -12.075 2.605 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.652 -11.807 0.831 1.00 0.00 O ATOM 0 H GLU A 23 2.152 -10.224 2.565 1.00 0.00 H new ATOM 0 HA GLU A 23 2.816 -11.626 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.131 -9.941 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.464 -11.366 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.007 -12.268 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.546 -10.602 -0.045 1.00 0.00 H new ATOM 355 N ASN A 24 2.904 -13.355 2.882 1.00 0.00 N ATOM 356 CA ASN A 24 2.750 -14.764 3.335 1.00 0.00 C ATOM 357 C ASN A 24 1.355 -15.235 2.937 1.00 0.00 C ATOM 358 O ASN A 24 1.161 -16.352 2.499 1.00 0.00 O ATOM 359 CB ASN A 24 2.964 -14.751 4.861 1.00 0.00 C ATOM 360 CG ASN A 24 1.636 -14.582 5.614 1.00 0.00 C ATOM 361 OD1 ASN A 24 0.679 -15.289 5.365 1.00 0.00 O ATOM 362 ND2 ASN A 24 1.549 -13.678 6.549 1.00 0.00 N ATOM 0 H ASN A 24 3.102 -12.670 3.611 1.00 0.00 H new ATOM 0 HA ASN A 24 3.465 -15.452 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.443 -15.680 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.641 -13.939 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.679 -13.565 7.070 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.351 -13.084 6.760 1.00 0.00 H new ATOM 369 N LYS A 25 0.384 -14.374 3.062 1.00 0.00 N ATOM 370 CA LYS A 25 -0.999 -14.752 2.665 1.00 0.00 C ATOM 371 C LYS A 25 -1.031 -15.112 1.180 1.00 0.00 C ATOM 372 O LYS A 25 -1.560 -16.133 0.787 1.00 0.00 O ATOM 373 CB LYS A 25 -1.848 -13.510 2.942 1.00 0.00 C ATOM 374 CG LYS A 25 -3.325 -13.901 2.996 1.00 0.00 C ATOM 375 CD LYS A 25 -3.617 -14.613 4.318 1.00 0.00 C ATOM 376 CE LYS A 25 -3.593 -13.598 5.463 1.00 0.00 C ATOM 377 NZ LYS A 25 -4.973 -13.616 6.021 1.00 0.00 N ATOM 0 H LYS A 25 0.489 -13.425 3.422 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.368 -15.619 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.547 -13.054 3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.687 -12.765 2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.951 -13.013 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.570 -14.553 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.590 -15.102 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.876 -15.393 4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.858 -13.873 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.325 -12.604 5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.036 -12.944 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.650 -13.344 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.198 -14.573 6.361 1.00 0.00 H new ATOM 391 N ILE A 26 -0.469 -14.279 0.355 1.00 0.00 N ATOM 392 CA ILE A 26 -0.464 -14.573 -1.114 1.00 0.00 C ATOM 393 C ILE A 26 0.351 -15.834 -1.408 1.00 0.00 C ATOM 394 O ILE A 26 0.050 -16.585 -2.315 1.00 0.00 O ATOM 395 CB ILE A 26 0.142 -13.330 -1.799 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.342 -13.256 -3.251 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.675 -13.375 -1.790 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.182 -14.619 -3.923 1.00 0.00 C ATOM 0 H ILE A 26 -0.012 -13.408 0.626 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.469 -14.766 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.183 -12.451 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.387 -12.947 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.228 -12.503 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.068 -12.484 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.032 -13.410 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.016 -14.263 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.528 -14.559 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.868 -14.911 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.772 -15.361 -3.385 1.00 0.00 H new ATOM 410 N GLY A 27 1.373 -16.076 -0.645 1.00 0.00 N ATOM 411 CA GLY A 27 2.203 -17.295 -0.881 1.00 0.00 C ATOM 412 C GLY A 27 3.686 -16.966 -0.682 1.00 0.00 C ATOM 413 O GLY A 27 4.534 -17.401 -1.434 1.00 0.00 O ATOM 0 H GLY A 27 1.674 -15.487 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.903 -18.088 -0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.037 -17.668 -1.892 1.00 0.00 H new ATOM 417 N GLN A 28 4.001 -16.212 0.331 1.00 0.00 N ATOM 418 CA GLN A 28 5.425 -15.859 0.598 1.00 0.00 C ATOM 419 C GLN A 28 5.614 -15.670 2.102 1.00 0.00 C ATOM 420 O GLN A 28 5.622 -14.564 2.607 1.00 0.00 O ATOM 421 CB GLN A 28 5.659 -14.546 -0.153 1.00 0.00 C ATOM 422 CG GLN A 28 6.360 -14.834 -1.483 1.00 0.00 C ATOM 423 CD GLN A 28 7.843 -14.479 -1.367 1.00 0.00 C ATOM 424 OE1 GLN A 28 8.514 -14.911 -0.451 1.00 0.00 O ATOM 425 NE2 GLN A 28 8.387 -13.701 -2.263 1.00 0.00 N ATOM 0 H GLN A 28 3.330 -15.821 0.992 1.00 0.00 H new ATOM 0 HA GLN A 28 6.126 -16.628 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.709 -14.043 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.266 -13.873 0.452 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.247 -15.886 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.898 -14.255 -2.282 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.824 -13.338 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.375 -13.456 -2.194 1.00 0.00 H new ATOM 486 N LEU A 32 10.008 -12.001 5.849 1.00 0.00 N ATOM 487 CA LEU A 32 10.809 -10.764 5.685 1.00 0.00 C ATOM 488 C LEU A 32 10.305 -9.965 4.493 1.00 0.00 C ATOM 489 O LEU A 32 10.122 -10.479 3.407 1.00 0.00 O ATOM 490 CB LEU A 32 12.235 -11.249 5.459 1.00 0.00 C ATOM 491 CG LEU A 32 12.581 -12.283 6.531 1.00 0.00 C ATOM 492 CD1 LEU A 32 14.079 -12.564 6.495 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.193 -11.741 7.911 1.00 0.00 C ATOM 0 HA LEU A 32 10.741 -10.104 6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.331 -11.688 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.930 -10.411 5.505 1.00 0.00 H new ATOM 0 HG LEU A 32 12.032 -13.205 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.329 -13.301 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.353 -12.951 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.627 -11.642 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.440 -12.479 8.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.740 -10.819 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.122 -11.539 7.935 1.00 0.00 H new ATOM 505 N THR A 33 10.071 -8.708 4.699 1.00 0.00 N ATOM 506 CA THR A 33 9.564 -7.849 3.597 1.00 0.00 C ATOM 507 C THR A 33 9.759 -6.377 3.957 1.00 0.00 C ATOM 508 O THR A 33 8.895 -5.551 3.744 1.00 0.00 O ATOM 509 CB THR A 33 8.076 -8.190 3.489 1.00 0.00 C ATOM 510 OG1 THR A 33 7.782 -9.317 4.311 1.00 0.00 O ATOM 511 CG2 THR A 33 7.720 -8.506 2.034 1.00 0.00 C ATOM 0 H THR A 33 10.209 -8.231 5.590 1.00 0.00 H new ATOM 0 HA THR A 33 10.087 -8.018 2.656 1.00 0.00 H new ATOM 0 HB THR A 33 7.487 -7.336 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.873 -9.631 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.660 -8.748 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.937 -7.639 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.310 -9.356 1.692 1.00 0.00 H new ATOM 519 N PHE A 34 10.894 -6.053 4.501 1.00 0.00 N ATOM 520 CA PHE A 34 11.174 -4.637 4.884 1.00 0.00 C ATOM 521 C PHE A 34 12.619 -4.505 5.370 1.00 0.00 C ATOM 522 O PHE A 34 12.938 -4.820 6.499 1.00 0.00 O ATOM 523 CB PHE A 34 10.189 -4.319 6.014 1.00 0.00 C ATOM 524 CG PHE A 34 10.319 -5.343 7.117 1.00 0.00 C ATOM 525 CD1 PHE A 34 9.659 -6.574 7.012 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.094 -5.061 8.248 1.00 0.00 C ATOM 527 CE1 PHE A 34 9.777 -7.522 8.034 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.210 -6.010 9.272 1.00 0.00 C ATOM 529 CZ PHE A 34 10.552 -7.240 9.165 1.00 0.00 C ATOM 0 H PHE A 34 11.648 -6.710 4.700 1.00 0.00 H new ATOM 0 HA PHE A 34 11.054 -3.950 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.384 -3.322 6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.169 -4.315 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.058 -6.792 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.603 -4.112 8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.270 -8.472 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.808 -5.792 10.145 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.642 -7.971 9.955 1.00 0.00 H new ATOM 539 N ASN A 35 13.498 -4.050 4.522 1.00 0.00 N ATOM 540 CA ASN A 35 14.925 -3.907 4.932 1.00 0.00 C ATOM 541 C ASN A 35 15.540 -2.634 4.338 1.00 0.00 C ATOM 542 O ASN A 35 16.125 -1.834 5.042 1.00 0.00 O ATOM 543 CB ASN A 35 15.619 -5.148 4.367 1.00 0.00 C ATOM 544 CG ASN A 35 16.737 -5.584 5.314 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.375 -4.761 5.940 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.004 -6.855 5.446 1.00 0.00 N ATOM 0 H ASN A 35 13.292 -3.771 3.563 1.00 0.00 H new ATOM 0 HA ASN A 35 15.032 -3.826 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.898 -5.956 4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.028 -4.931 3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.748 -7.157 6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.468 -7.546 4.920 1.00 0.00 H new ATOM 553 N LYS A 36 15.433 -2.444 3.049 1.00 0.00 N ATOM 554 CA LYS A 36 16.039 -1.228 2.427 1.00 0.00 C ATOM 555 C LYS A 36 15.271 0.046 2.816 1.00 0.00 C ATOM 556 O LYS A 36 15.500 0.612 3.867 1.00 0.00 O ATOM 557 CB LYS A 36 15.967 -1.470 0.920 1.00 0.00 C ATOM 558 CG LYS A 36 17.289 -2.071 0.439 1.00 0.00 C ATOM 559 CD LYS A 36 17.772 -1.317 -0.802 1.00 0.00 C ATOM 560 CE LYS A 36 19.213 -0.846 -0.586 1.00 0.00 C ATOM 561 NZ LYS A 36 19.178 0.621 -0.838 1.00 0.00 N ATOM 0 H LYS A 36 14.956 -3.073 2.403 1.00 0.00 H new ATOM 0 HA LYS A 36 17.063 -1.074 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.142 -2.144 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.770 -0.533 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.037 -2.009 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.157 -3.128 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.717 -1.964 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.124 -0.462 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.553 -1.065 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.899 -1.348 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.131 1.018 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.857 0.798 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.522 1.073 -0.169 1.00 0.00 H new ATOM 575 N VAL A 37 14.385 0.523 1.976 1.00 0.00 N ATOM 576 CA VAL A 37 13.651 1.778 2.319 1.00 0.00 C ATOM 577 C VAL A 37 12.379 1.925 1.466 1.00 0.00 C ATOM 578 O VAL A 37 12.038 1.064 0.683 1.00 0.00 O ATOM 579 CB VAL A 37 14.684 2.882 2.026 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.135 3.939 1.054 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.078 3.563 3.338 1.00 0.00 C ATOM 0 H VAL A 37 14.141 0.103 1.079 1.00 0.00 H new ATOM 0 HA VAL A 37 13.296 1.807 3.349 1.00 0.00 H new ATOM 0 HB VAL A 37 15.550 2.414 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.896 4.699 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.869 3.462 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.250 4.406 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.809 4.346 3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.194 4.003 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.512 2.826 4.014 1.00 0.00 H new ATOM 591 N ILE A 38 11.682 3.023 1.628 1.00 0.00 N ATOM 592 CA ILE A 38 10.429 3.262 0.845 1.00 0.00 C ATOM 593 C ILE A 38 10.354 4.733 0.427 1.00 0.00 C ATOM 594 O ILE A 38 10.421 5.630 1.243 1.00 0.00 O ATOM 595 CB ILE A 38 9.280 2.887 1.801 1.00 0.00 C ATOM 596 CG1 ILE A 38 7.982 3.584 1.359 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.624 3.288 3.242 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.934 5.033 1.863 1.00 0.00 C ATOM 0 H ILE A 38 11.930 3.771 2.275 1.00 0.00 H new ATOM 0 HA ILE A 38 10.384 2.674 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 38 9.138 1.807 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.911 3.571 0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.122 3.034 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.801 3.015 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.529 2.769 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.787 4.365 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.006 5.501 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.981 5.041 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.782 5.587 1.460 1.00 0.00 H new ATOM 610 N ARG A 39 10.229 4.981 -0.848 1.00 0.00 N ATOM 611 CA ARG A 39 10.160 6.388 -1.330 1.00 0.00 C ATOM 612 C ARG A 39 9.137 6.533 -2.468 1.00 0.00 C ATOM 613 O ARG A 39 8.230 7.335 -2.366 1.00 0.00 O ATOM 614 CB ARG A 39 11.571 6.714 -1.823 1.00 0.00 C ATOM 615 CG ARG A 39 12.245 7.674 -0.840 1.00 0.00 C ATOM 616 CD ARG A 39 13.348 8.451 -1.561 1.00 0.00 C ATOM 617 NE ARG A 39 13.343 9.800 -0.932 1.00 0.00 N ATOM 618 CZ ARG A 39 14.335 10.622 -1.141 1.00 0.00 C ATOM 619 NH1 ARG A 39 15.182 10.387 -2.107 1.00 0.00 N ATOM 620 NH2 ARG A 39 14.481 11.676 -0.387 1.00 0.00 N ATOM 0 H ARG A 39 10.172 4.269 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 39 9.837 7.068 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.157 5.799 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.526 7.164 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.509 8.364 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.665 7.118 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.316 7.964 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.152 8.514 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 39 12.564 10.082 -0.337 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.067 9.562 -2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.958 11.028 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.819 11.859 0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.257 12.317 -0.552 1.00 0.00 H new ATOM 634 N PRO A 40 9.307 5.770 -3.525 1.00 0.00 N ATOM 635 CA PRO A 40 8.373 5.864 -4.662 1.00 0.00 C ATOM 636 C PRO A 40 7.115 5.018 -4.434 1.00 0.00 C ATOM 637 O PRO A 40 6.611 4.360 -5.325 1.00 0.00 O ATOM 638 CB PRO A 40 9.198 5.364 -5.844 1.00 0.00 C ATOM 639 CG PRO A 40 10.271 4.493 -5.259 1.00 0.00 C ATOM 640 CD PRO A 40 10.354 4.770 -3.772 1.00 0.00 C ATOM 0 HA PRO A 40 7.994 6.874 -4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.578 4.803 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.630 6.197 -6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.045 3.442 -5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.229 4.698 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.183 3.865 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.338 5.148 -3.493 1.00 0.00 H new ATOM 648 N CYS A 41 6.586 5.059 -3.250 1.00 0.00 N ATOM 649 CA CYS A 41 5.336 4.295 -2.969 1.00 0.00 C ATOM 650 C CYS A 41 4.142 5.264 -2.943 1.00 0.00 C ATOM 651 O CYS A 41 4.173 6.296 -2.290 1.00 0.00 O ATOM 652 CB CYS A 41 5.546 3.647 -1.602 1.00 0.00 C ATOM 653 SG CYS A 41 5.966 4.919 -0.393 1.00 0.00 S ATOM 0 H CYS A 41 6.961 5.587 -2.461 1.00 0.00 H new ATOM 0 HA CYS A 41 5.127 3.541 -3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.642 3.121 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.343 2.905 -1.658 1.00 0.00 H new ATOM 0 HG CYS A 41 7.209 5.269 -0.545 1.00 0.00 H new ATOM 659 N MET A 42 3.098 4.957 -3.664 1.00 0.00 N ATOM 660 CA MET A 42 1.922 5.874 -3.689 1.00 0.00 C ATOM 661 C MET A 42 0.655 5.155 -3.222 1.00 0.00 C ATOM 662 O MET A 42 0.591 3.942 -3.179 1.00 0.00 O ATOM 663 CB MET A 42 1.784 6.293 -5.153 1.00 0.00 C ATOM 664 CG MET A 42 2.598 7.564 -5.399 1.00 0.00 C ATOM 665 SD MET A 42 4.126 7.144 -6.273 1.00 0.00 S ATOM 666 CE MET A 42 3.358 6.341 -7.702 1.00 0.00 C ATOM 0 H MET A 42 3.008 4.116 -4.234 1.00 0.00 H new ATOM 0 HA MET A 42 2.058 6.725 -3.022 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.133 5.493 -5.806 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.736 6.467 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.015 8.274 -5.985 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.831 8.049 -4.451 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.906 6.606 -8.606 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.381 5.260 -7.567 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.324 6.673 -7.794 1.00 0.00 H new ATOM 676 N LYS A 43 -0.355 5.903 -2.876 1.00 0.00 N ATOM 677 CA LYS A 43 -1.630 5.287 -2.412 1.00 0.00 C ATOM 678 C LYS A 43 -2.769 5.663 -3.364 1.00 0.00 C ATOM 679 O LYS A 43 -2.716 6.673 -4.040 1.00 0.00 O ATOM 680 CB LYS A 43 -1.871 5.889 -1.027 1.00 0.00 C ATOM 681 CG LYS A 43 -3.110 5.251 -0.396 1.00 0.00 C ATOM 682 CD LYS A 43 -3.900 6.318 0.365 1.00 0.00 C ATOM 683 CE LYS A 43 -5.329 6.385 -0.179 1.00 0.00 C ATOM 684 NZ LYS A 43 -6.166 6.798 0.982 1.00 0.00 N ATOM 0 H LYS A 43 -0.352 6.923 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.583 4.198 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.001 5.723 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.006 6.968 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.735 4.802 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.815 4.449 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.916 6.083 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.414 7.288 0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.407 7.102 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.647 5.419 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.161 6.866 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.078 6.093 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.845 7.724 1.330 1.00 0.00 H new ATOM 698 N LYS A 44 -3.798 4.864 -3.424 1.00 0.00 N ATOM 699 CA LYS A 44 -4.936 5.183 -4.334 1.00 0.00 C ATOM 700 C LYS A 44 -6.196 4.434 -3.893 1.00 0.00 C ATOM 701 O LYS A 44 -6.231 3.219 -3.868 1.00 0.00 O ATOM 702 CB LYS A 44 -4.483 4.708 -5.715 1.00 0.00 C ATOM 703 CG LYS A 44 -4.094 5.916 -6.568 1.00 0.00 C ATOM 704 CD LYS A 44 -3.735 5.450 -7.980 1.00 0.00 C ATOM 705 CE LYS A 44 -3.677 6.658 -8.918 1.00 0.00 C ATOM 706 NZ LYS A 44 -3.624 6.078 -10.289 1.00 0.00 N ATOM 0 H LYS A 44 -3.901 4.005 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.183 6.245 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.635 4.030 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.284 4.150 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.919 6.627 -6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.247 6.434 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.774 4.937 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.475 4.734 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.551 7.297 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.800 7.273 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.583 6.846 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.778 5.480 -10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.474 5.503 -10.456 1.00 0.00 H new ATOM 720 N THR A 45 -7.232 5.148 -3.544 1.00 0.00 N ATOM 721 CA THR A 45 -8.488 4.473 -3.106 1.00 0.00 C ATOM 722 C THR A 45 -9.646 4.857 -4.031 1.00 0.00 C ATOM 723 O THR A 45 -9.702 5.951 -4.554 1.00 0.00 O ATOM 724 CB THR A 45 -8.741 4.988 -1.681 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.939 4.255 -0.769 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.219 4.815 -1.304 1.00 0.00 C ATOM 0 H THR A 45 -7.263 6.168 -3.543 1.00 0.00 H new ATOM 0 HA THR A 45 -8.405 3.387 -3.137 1.00 0.00 H new ATOM 0 HB THR A 45 -8.486 6.047 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.123 3.953 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.382 5.185 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.840 5.378 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.486 3.759 -1.352 1.00 0.00 H new ATOM 734 N ILE A 46 -10.581 3.968 -4.212 1.00 0.00 N ATOM 735 CA ILE A 46 -11.751 4.282 -5.074 1.00 0.00 C ATOM 736 C ILE A 46 -12.983 4.441 -4.191 1.00 0.00 C ATOM 737 O ILE A 46 -14.019 3.855 -4.431 1.00 0.00 O ATOM 738 CB ILE A 46 -11.915 3.081 -5.995 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.966 3.432 -7.069 1.00 0.00 C ATOM 740 CG2 ILE A 46 -12.353 1.870 -5.160 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.947 2.273 -7.283 1.00 0.00 C ATOM 0 H ILE A 46 -10.585 3.035 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.618 5.202 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.976 2.832 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.514 4.325 -6.768 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.466 3.667 -8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.473 1.004 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.596 1.655 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.301 2.090 -4.670 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.676 2.549 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.400 1.388 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.464 2.057 -6.348 1.00 0.00 H new ATOM 898 N GLY A 55 -13.634 1.276 -2.218 1.00 0.00 N ATOM 899 CA GLY A 55 -12.457 0.372 -2.055 1.00 0.00 C ATOM 900 C GLY A 55 -11.210 1.162 -1.661 1.00 0.00 C ATOM 901 O GLY A 55 -11.254 2.356 -1.453 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.672 -0.378 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.273 -0.163 -2.987 1.00 0.00 H new ATOM 905 N TYR A 56 -10.095 0.487 -1.555 1.00 0.00 N ATOM 906 CA TYR A 56 -8.830 1.175 -1.172 1.00 0.00 C ATOM 907 C TYR A 56 -7.628 0.298 -1.535 1.00 0.00 C ATOM 908 O TYR A 56 -7.361 -0.703 -0.899 1.00 0.00 O ATOM 909 CB TYR A 56 -8.926 1.358 0.346 1.00 0.00 C ATOM 910 CG TYR A 56 -7.559 1.659 0.922 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.574 2.266 0.130 1.00 0.00 C ATOM 912 CD2 TYR A 56 -7.279 1.331 2.255 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.313 2.542 0.671 1.00 0.00 C ATOM 914 CE2 TYR A 56 -6.017 1.608 2.794 1.00 0.00 C ATOM 915 CZ TYR A 56 -5.035 2.214 2.004 1.00 0.00 C ATOM 916 OH TYR A 56 -3.791 2.487 2.536 1.00 0.00 O ATOM 0 H TYR A 56 -10.008 -0.516 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.698 2.126 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.614 2.170 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.331 0.456 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.788 2.521 -0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.037 0.864 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.554 3.008 0.060 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.802 1.353 3.821 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.765 2.198 3.472 1.00 0.00 H new ATOM 926 N GLU A 57 -6.895 0.673 -2.547 1.00 0.00 N ATOM 927 CA GLU A 57 -5.703 -0.130 -2.942 1.00 0.00 C ATOM 928 C GLU A 57 -4.476 0.780 -3.010 1.00 0.00 C ATOM 929 O GLU A 57 -4.576 1.972 -2.801 1.00 0.00 O ATOM 930 CB GLU A 57 -6.039 -0.697 -4.323 1.00 0.00 C ATOM 931 CG GLU A 57 -5.996 0.427 -5.360 1.00 0.00 C ATOM 932 CD GLU A 57 -4.618 0.458 -6.022 1.00 0.00 C ATOM 933 OE1 GLU A 57 -4.164 -0.592 -6.447 1.00 0.00 O ATOM 934 OE2 GLU A 57 -4.040 1.530 -6.093 1.00 0.00 O ATOM 0 H GLU A 57 -7.070 1.500 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.477 -0.925 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.328 -1.479 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.028 -1.156 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.769 0.272 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.203 1.385 -4.883 1.00 0.00 H new ATOM 941 N TYR A 58 -3.317 0.246 -3.289 1.00 0.00 N ATOM 942 CA TYR A 58 -2.116 1.143 -3.345 1.00 0.00 C ATOM 943 C TYR A 58 -0.933 0.521 -4.089 1.00 0.00 C ATOM 944 O TYR A 58 -0.914 -0.651 -4.415 1.00 0.00 O ATOM 945 CB TYR A 58 -1.757 1.408 -1.870 1.00 0.00 C ATOM 946 CG TYR A 58 -0.608 0.526 -1.383 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.530 -0.832 -1.743 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.364 1.069 -0.533 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.509 -1.628 -1.253 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.403 0.271 -0.050 1.00 0.00 C ATOM 951 CZ TYR A 58 1.475 -1.077 -0.406 1.00 0.00 C ATOM 952 OH TYR A 58 2.500 -1.866 0.076 1.00 0.00 O ATOM 0 H TYR A 58 -3.147 -0.742 -3.476 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.341 2.053 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.484 2.456 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.635 1.233 -1.248 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.274 -1.260 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.310 2.110 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.566 -2.671 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.152 0.697 0.600 1.00 0.00 H new ATOM 0 HH TYR A 58 2.737 -2.540 -0.595 1.00 0.00 H new ATOM 962 N GLN A 59 0.072 1.324 -4.306 1.00 0.00 N ATOM 963 CA GLN A 59 1.315 0.855 -4.972 1.00 0.00 C ATOM 964 C GLN A 59 2.496 1.307 -4.109 1.00 0.00 C ATOM 965 O GLN A 59 2.623 2.472 -3.789 1.00 0.00 O ATOM 966 CB GLN A 59 1.334 1.553 -6.334 1.00 0.00 C ATOM 967 CG GLN A 59 0.371 0.841 -7.290 1.00 0.00 C ATOM 968 CD GLN A 59 0.169 1.698 -8.541 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.920 1.765 -9.077 1.00 0.00 O ATOM 970 NE2 GLN A 59 1.179 2.360 -9.035 1.00 0.00 N ATOM 0 H GLN A 59 0.081 2.309 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 59 1.368 -0.227 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.045 2.598 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.344 1.543 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.770 -0.135 -7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.585 0.667 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.093 2.305 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.054 2.933 -9.870 1.00 0.00 H new ATOM 979 N LEU A 60 3.348 0.408 -3.708 1.00 0.00 N ATOM 980 CA LEU A 60 4.492 0.815 -2.847 1.00 0.00 C ATOM 981 C LEU A 60 5.800 0.446 -3.524 1.00 0.00 C ATOM 982 O LEU A 60 6.464 -0.498 -3.147 1.00 0.00 O ATOM 983 CB LEU A 60 4.311 0.029 -1.547 1.00 0.00 C ATOM 984 CG LEU A 60 5.520 0.243 -0.632 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.111 1.112 0.560 1.00 0.00 C ATOM 986 CD2 LEU A 60 6.018 -1.110 -0.117 1.00 0.00 C ATOM 0 H LEU A 60 3.303 -0.585 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 60 4.518 1.889 -2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.401 0.351 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.195 -1.032 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 60 6.313 0.737 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.972 1.264 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.752 2.077 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.317 0.615 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.879 -0.957 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.222 -1.602 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.308 -1.736 -0.961 1.00 0.00 H new ATOM 998 N TYR A 61 6.180 1.189 -4.519 1.00 0.00 N ATOM 999 CA TYR A 61 7.444 0.886 -5.218 1.00 0.00 C ATOM 1000 C TYR A 61 8.618 1.304 -4.334 1.00 0.00 C ATOM 1001 O TYR A 61 8.842 2.470 -4.087 1.00 0.00 O ATOM 1002 CB TYR A 61 7.359 1.707 -6.496 1.00 0.00 C ATOM 1003 CG TYR A 61 8.431 1.263 -7.462 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.780 1.342 -7.099 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.073 0.771 -8.723 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.771 0.929 -7.997 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.064 0.358 -9.619 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.413 0.437 -9.257 1.00 0.00 C ATOM 1009 OH TYR A 61 11.391 0.029 -10.142 1.00 0.00 O ATOM 0 H TYR A 61 5.666 1.994 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 61 7.593 -0.171 -5.438 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.375 1.588 -6.950 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.479 2.766 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.056 1.721 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.032 0.710 -9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.812 0.990 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.788 -0.022 -10.591 1.00 0.00 H new ATOM 0 HH TYR A 61 10.972 -0.286 -10.970 1.00 0.00 H new ATOM 1019 N VAL A 62 9.350 0.348 -3.836 1.00 0.00 N ATOM 1020 CA VAL A 62 10.500 0.650 -2.947 1.00 0.00 C ATOM 1021 C VAL A 62 11.450 -0.536 -2.944 1.00 0.00 C ATOM 1022 O VAL A 62 11.488 -1.329 -3.866 1.00 0.00 O ATOM 1023 CB VAL A 62 9.902 0.827 -1.554 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.808 1.892 -1.579 1.00 0.00 C ATOM 1025 CG2 VAL A 62 9.302 -0.491 -1.080 1.00 0.00 C ATOM 0 H VAL A 62 9.196 -0.645 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 62 11.051 1.534 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 62 10.694 1.139 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.390 2.008 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.232 2.841 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.020 1.588 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.876 -0.360 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.520 -0.804 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.080 -1.253 -1.044 1.00 0.00 H new ATOM 1035 N TYR A 63 12.194 -0.676 -1.898 1.00 0.00 N ATOM 1036 CA TYR A 63 13.129 -1.824 -1.798 1.00 0.00 C ATOM 1037 C TYR A 63 13.110 -2.365 -0.378 1.00 0.00 C ATOM 1038 O TYR A 63 13.148 -1.621 0.582 1.00 0.00 O ATOM 1039 CB TYR A 63 14.509 -1.276 -2.137 1.00 0.00 C ATOM 1040 CG TYR A 63 15.422 -2.425 -2.494 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.654 -3.459 -1.575 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.040 -2.451 -3.745 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.506 -4.518 -1.915 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.892 -3.509 -4.085 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.126 -4.542 -3.170 1.00 0.00 C ATOM 1046 OH TYR A 63 17.967 -5.584 -3.504 1.00 0.00 O ATOM 0 H TYR A 63 12.199 -0.042 -1.099 1.00 0.00 H new ATOM 0 HA TYR A 63 12.854 -2.636 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.442 -0.576 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.913 -0.724 -1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.176 -3.439 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.861 -1.654 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.684 -5.316 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 63 17.369 -3.528 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 63 18.313 -5.447 -4.411 1.00 0.00 H new ATOM 1056 N ALA A 64 13.043 -3.650 -0.232 1.00 0.00 N ATOM 1057 CA ALA A 64 13.016 -4.227 1.132 1.00 0.00 C ATOM 1058 C ALA A 64 14.057 -5.344 1.259 1.00 0.00 C ATOM 1059 O ALA A 64 15.221 -5.149 0.970 1.00 0.00 O ATOM 1060 CB ALA A 64 11.601 -4.765 1.275 1.00 0.00 C ATOM 0 H ALA A 64 13.006 -4.326 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 64 13.259 -3.503 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.481 -5.216 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.888 -3.949 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.418 -5.517 0.507 1.00 0.00 H new ATOM 1066 N SER A 65 13.655 -6.511 1.691 1.00 0.00 N ATOM 1067 CA SER A 65 14.628 -7.631 1.831 1.00 0.00 C ATOM 1068 C SER A 65 14.466 -8.618 0.670 1.00 0.00 C ATOM 1069 O SER A 65 15.420 -9.208 0.205 1.00 0.00 O ATOM 1070 CB SER A 65 14.278 -8.301 3.160 1.00 0.00 C ATOM 1071 OG SER A 65 13.439 -7.438 3.917 1.00 0.00 O ATOM 0 H SER A 65 12.695 -6.735 1.952 1.00 0.00 H new ATOM 0 HA SER A 65 15.661 -7.285 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.774 -9.250 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.187 -8.524 3.718 1.00 0.00 H new ATOM 0 HG SER A 65 13.678 -7.499 4.865 1.00 0.00 H new ATOM 1077 N ASP A 66 13.260 -8.801 0.196 1.00 0.00 N ATOM 1078 CA ASP A 66 13.037 -9.749 -0.935 1.00 0.00 C ATOM 1079 C ASP A 66 12.156 -9.097 -2.007 1.00 0.00 C ATOM 1080 O ASP A 66 11.834 -9.699 -3.012 1.00 0.00 O ATOM 1081 CB ASP A 66 12.324 -10.950 -0.313 1.00 0.00 C ATOM 1082 CG ASP A 66 11.122 -10.465 0.500 1.00 0.00 C ATOM 1083 OD1 ASP A 66 11.322 -9.657 1.393 1.00 0.00 O ATOM 1084 OD2 ASP A 66 10.021 -10.908 0.216 1.00 0.00 O ATOM 0 H ASP A 66 12.422 -8.335 0.543 1.00 0.00 H new ATOM 0 HA ASP A 66 13.969 -10.036 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.995 -11.636 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.011 -11.502 0.328 1.00 0.00 H new ATOM 1089 N LYS A 67 11.765 -7.871 -1.796 1.00 0.00 N ATOM 1090 CA LYS A 67 10.906 -7.172 -2.795 1.00 0.00 C ATOM 1091 C LYS A 67 11.679 -5.996 -3.406 1.00 0.00 C ATOM 1092 O LYS A 67 11.846 -4.960 -2.796 1.00 0.00 O ATOM 1093 CB LYS A 67 9.674 -6.726 -1.985 1.00 0.00 C ATOM 1094 CG LYS A 67 9.308 -5.257 -2.244 1.00 0.00 C ATOM 1095 CD LYS A 67 9.777 -4.409 -1.067 1.00 0.00 C ATOM 1096 CE LYS A 67 8.825 -3.232 -0.903 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.481 -3.849 -0.741 1.00 0.00 N ATOM 0 H LYS A 67 12.004 -7.320 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 67 10.609 -7.794 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.825 -7.360 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.870 -6.868 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.775 -4.911 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.231 -5.156 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.799 -5.007 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.793 -4.052 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.090 -2.627 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.856 -2.574 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.927 -3.299 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.989 -3.855 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.586 -4.825 -0.398 1.00 0.00 H new ATOM 1111 N LEU A 68 12.143 -6.157 -4.610 1.00 0.00 N ATOM 1112 CA LEU A 68 12.900 -5.060 -5.282 1.00 0.00 C ATOM 1113 C LEU A 68 11.988 -4.325 -6.261 1.00 0.00 C ATOM 1114 O LEU A 68 12.192 -4.385 -7.456 1.00 0.00 O ATOM 1115 CB LEU A 68 14.019 -5.768 -6.048 1.00 0.00 C ATOM 1116 CG LEU A 68 14.662 -6.832 -5.156 1.00 0.00 C ATOM 1117 CD1 LEU A 68 15.961 -7.323 -5.798 1.00 0.00 C ATOM 1118 CD2 LEU A 68 14.969 -6.229 -3.783 1.00 0.00 C ATOM 0 H LEU A 68 12.032 -7.006 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 68 13.282 -4.326 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.619 -6.230 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.770 -5.044 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 68 13.975 -7.671 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.418 -8.081 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.744 -7.753 -6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.648 -6.485 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 68 15.427 -6.987 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.655 -5.390 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.044 -5.881 -3.324 1.00 0.00 H new ATOM 1130 N PHE A 69 10.983 -3.634 -5.777 1.00 0.00 N ATOM 1131 CA PHE A 69 10.067 -2.911 -6.704 1.00 0.00 C ATOM 1132 C PHE A 69 8.817 -2.440 -5.955 1.00 0.00 C ATOM 1133 O PHE A 69 8.912 -1.643 -5.059 1.00 0.00 O ATOM 1134 CB PHE A 69 9.711 -3.907 -7.808 1.00 0.00 C ATOM 1135 CG PHE A 69 9.562 -5.306 -7.238 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.946 -5.510 -5.994 1.00 0.00 C ATOM 1137 CD2 PHE A 69 10.056 -6.403 -7.956 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.826 -6.803 -5.475 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.933 -7.697 -7.435 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.318 -7.897 -6.195 1.00 0.00 C ATOM 0 H PHE A 69 10.762 -3.542 -4.786 1.00 0.00 H new ATOM 0 HA PHE A 69 10.534 -2.019 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.782 -3.605 -8.292 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.486 -3.901 -8.574 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.564 -4.667 -5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.533 -6.250 -8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.353 -6.957 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.313 -8.541 -7.991 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.223 -8.895 -5.794 1.00 0.00 H new ATOM 1150 N ARG A 70 7.643 -2.906 -6.298 1.00 0.00 N ATOM 1151 CA ARG A 70 6.439 -2.417 -5.565 1.00 0.00 C ATOM 1152 C ARG A 70 5.661 -3.535 -4.894 1.00 0.00 C ATOM 1153 O ARG A 70 5.545 -4.638 -5.397 1.00 0.00 O ATOM 1154 CB ARG A 70 5.544 -1.781 -6.624 1.00 0.00 C ATOM 1155 CG ARG A 70 4.250 -1.259 -5.964 1.00 0.00 C ATOM 1156 CD ARG A 70 3.182 -1.061 -7.039 1.00 0.00 C ATOM 1157 NE ARG A 70 3.830 -0.205 -8.071 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.914 -0.622 -9.304 1.00 0.00 C ATOM 1159 NH1 ARG A 70 4.927 -1.354 -9.678 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.984 -0.308 -10.165 1.00 0.00 N ATOM 0 H ARG A 70 7.468 -3.588 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 70 6.749 -1.731 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.070 -0.962 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.301 -2.512 -7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.900 -1.967 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.444 -0.318 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.864 -2.015 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.293 -0.581 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 70 4.208 0.707 -7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.654 -1.600 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.992 -1.680 -10.642 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.191 0.264 -9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.050 -0.634 -11.129 1.00 0.00 H new ATOM 1174 N ALA A 71 5.062 -3.206 -3.791 1.00 0.00 N ATOM 1175 CA ALA A 71 4.198 -4.166 -3.073 1.00 0.00 C ATOM 1176 C ALA A 71 2.784 -3.603 -3.154 1.00 0.00 C ATOM 1177 O ALA A 71 2.482 -2.596 -2.545 1.00 0.00 O ATOM 1178 CB ALA A 71 4.701 -4.177 -1.630 1.00 0.00 C ATOM 0 H ALA A 71 5.138 -2.290 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 71 4.212 -5.178 -3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.101 -4.871 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.744 -4.492 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.617 -3.176 -1.208 1.00 0.00 H new ATOM 1184 N ASP A 72 1.929 -4.193 -3.938 1.00 0.00 N ATOM 1185 CA ASP A 72 0.560 -3.628 -4.066 1.00 0.00 C ATOM 1186 C ASP A 72 -0.363 -4.210 -3.002 1.00 0.00 C ATOM 1187 O ASP A 72 -0.053 -5.198 -2.365 1.00 0.00 O ATOM 1188 CB ASP A 72 0.090 -4.037 -5.462 1.00 0.00 C ATOM 1189 CG ASP A 72 -1.319 -3.493 -5.705 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -2.265 -4.165 -5.329 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -1.428 -2.414 -6.265 1.00 0.00 O ATOM 0 H ASP A 72 2.115 -5.031 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 72 0.552 -2.546 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.776 -3.651 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.093 -5.123 -5.555 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.500 -3.605 -2.816 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.468 -4.116 -1.810 1.00 0.00 C ATOM 1198 C ILE A 73 -3.834 -3.467 -2.047 1.00 0.00 C ATOM 1199 O ILE A 73 -4.012 -2.279 -1.878 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.876 -3.756 -0.432 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.267 -4.836 0.578 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.400 -2.403 0.064 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -1.826 -6.207 0.064 1.00 0.00 C ATOM 0 H ILE A 73 -1.803 -2.772 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.621 -5.193 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.792 -3.693 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.801 -4.631 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.345 -4.826 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.964 -2.179 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.124 -1.623 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.486 -2.444 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.106 -6.974 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.312 -6.412 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.744 -6.214 -0.071 1.00 0.00 H new ATOM 1215 N SER A 74 -4.796 -4.236 -2.455 1.00 0.00 N ATOM 1216 CA SER A 74 -6.136 -3.657 -2.712 1.00 0.00 C ATOM 1217 C SER A 74 -7.111 -4.118 -1.630 1.00 0.00 C ATOM 1218 O SER A 74 -6.856 -5.074 -0.924 1.00 0.00 O ATOM 1219 CB SER A 74 -6.553 -4.201 -4.077 1.00 0.00 C ATOM 1220 OG SER A 74 -7.318 -5.385 -3.896 1.00 0.00 O ATOM 0 H SER A 74 -4.713 -5.239 -2.622 1.00 0.00 H new ATOM 0 HA SER A 74 -6.129 -2.567 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.138 -3.455 -4.616 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.671 -4.413 -4.682 1.00 0.00 H new ATOM 0 HG SER A 74 -8.035 -5.417 -4.564 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.220 -3.446 -1.491 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.218 -3.843 -0.452 1.00 0.00 C ATOM 1228 C GLU A 75 -10.518 -3.062 -0.657 1.00 0.00 C ATOM 1229 O GLU A 75 -10.533 -1.850 -0.573 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.571 -3.461 0.880 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.055 -4.722 1.575 1.00 0.00 C ATOM 1232 CD GLU A 75 -8.358 -4.641 3.073 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -9.155 -3.798 3.451 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.789 -5.423 3.816 1.00 0.00 O ATOM 0 H GLU A 75 -8.481 -2.636 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.468 -4.903 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.750 -2.764 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.296 -2.953 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.527 -5.606 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.982 -4.824 1.415 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.611 -3.731 -0.933 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.886 -2.976 -1.140 1.00 0.00 C ATOM 1243 C ASP A 76 -13.224 -2.149 0.100 1.00 0.00 C ATOM 1244 O ASP A 76 -12.359 -1.750 0.854 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.961 -4.031 -1.360 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.700 -3.751 -2.671 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -14.366 -2.776 -3.323 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -15.589 -4.518 -3.001 1.00 0.00 O ATOM 0 H ASP A 76 -11.677 -4.745 -1.022 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.807 -2.289 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.510 -5.023 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.664 -4.026 -0.527 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.444 -7.729 -2.418 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.025 -7.732 -1.969 1.00 0.00 C ATOM 1367 C LYS A 83 -7.097 -7.999 -3.153 1.00 0.00 C ATOM 1368 O LYS A 83 -7.437 -8.720 -4.069 1.00 0.00 O ATOM 1369 CB LYS A 83 -7.933 -8.866 -0.948 1.00 0.00 C ATOM 1370 CG LYS A 83 -7.206 -8.368 0.302 1.00 0.00 C ATOM 1371 CD LYS A 83 -7.650 -9.189 1.513 1.00 0.00 C ATOM 1372 CE LYS A 83 -7.504 -10.679 1.201 1.00 0.00 C ATOM 1373 NZ LYS A 83 -6.074 -10.853 0.823 1.00 0.00 N ATOM 0 HA LYS A 83 -7.726 -6.775 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.932 -9.216 -0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.401 -9.714 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.128 -8.454 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.424 -7.313 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.048 -8.928 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.686 -8.959 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.761 -11.291 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.167 -10.979 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.746 -11.792 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.975 -10.770 -0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.501 -10.119 1.286 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.925 -7.425 -3.144 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.984 -7.656 -4.278 1.00 0.00 C ATOM 1389 C LEU A 84 -3.603 -7.089 -3.953 1.00 0.00 C ATOM 1390 O LEU A 84 -3.454 -5.921 -3.658 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.597 -6.916 -5.467 1.00 0.00 C ATOM 1392 CG LEU A 84 -5.362 -7.719 -6.747 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -6.202 -8.997 -6.711 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -5.770 -6.877 -7.957 1.00 0.00 C ATOM 0 H LEU A 84 -5.580 -6.811 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.849 -8.718 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.666 -6.772 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.152 -5.925 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.307 -7.980 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.034 -9.569 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.914 -9.598 -5.848 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.258 -8.736 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.603 -7.448 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.826 -6.616 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.172 -5.966 -7.984 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.593 -7.906 -4.008 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.222 -7.406 -3.704 1.00 0.00 C ATOM 1408 C LEU A 85 -0.273 -7.719 -4.869 1.00 0.00 C ATOM 1409 O LEU A 85 -0.607 -8.471 -5.762 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.818 -8.123 -2.403 1.00 0.00 C ATOM 1411 CG LEU A 85 0.138 -9.291 -2.677 1.00 0.00 C ATOM 1412 CD1 LEU A 85 0.434 -10.011 -1.363 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.508 -10.277 -3.651 1.00 0.00 C ATOM 0 H LEU A 85 -2.654 -8.895 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.180 -6.324 -3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.341 -7.412 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.710 -8.493 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 85 1.060 -8.907 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.113 -10.843 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.896 -9.315 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.496 -10.390 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.177 -11.103 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.431 -10.663 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.731 -9.769 -4.589 1.00 0.00 H new ATOM 1425 N ARG A 86 0.902 -7.143 -4.878 1.00 0.00 N ATOM 1426 CA ARG A 86 1.844 -7.414 -6.007 1.00 0.00 C ATOM 1427 C ARG A 86 3.300 -7.132 -5.620 1.00 0.00 C ATOM 1428 O ARG A 86 3.667 -6.015 -5.322 1.00 0.00 O ATOM 1429 CB ARG A 86 1.420 -6.451 -7.118 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.002 -6.774 -7.572 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.272 -6.108 -8.922 1.00 0.00 C ATOM 1432 NE ARG A 86 -0.307 -4.649 -8.634 1.00 0.00 N ATOM 1433 CZ ARG A 86 -0.123 -3.791 -9.599 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -0.468 -4.100 -10.819 1.00 0.00 N ATOM 1435 NH2 ARG A 86 0.406 -2.626 -9.345 1.00 0.00 N ATOM 0 H ARG A 86 1.248 -6.504 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 86 1.799 -8.462 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.472 -5.423 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.107 -6.530 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.132 -7.853 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.720 -6.422 -6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.509 -6.349 -9.644 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.216 -6.449 -9.348 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.475 -4.320 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.881 -5.011 -11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.325 -3.430 -11.575 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.676 -2.386 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.550 -1.956 -10.100 1.00 0.00 H new ATOM 1449 N PHE A 87 4.138 -8.131 -5.674 1.00 0.00 N ATOM 1450 CA PHE A 87 5.582 -7.922 -5.364 1.00 0.00 C ATOM 1451 C PHE A 87 6.374 -7.997 -6.671 1.00 0.00 C ATOM 1452 O PHE A 87 7.087 -8.952 -6.907 1.00 0.00 O ATOM 1453 CB PHE A 87 5.996 -9.087 -4.458 1.00 0.00 C ATOM 1454 CG PHE A 87 5.018 -9.258 -3.322 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.591 -8.150 -2.581 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.547 -10.537 -3.003 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.690 -8.323 -1.523 1.00 0.00 C ATOM 1458 CE2 PHE A 87 3.651 -10.710 -1.945 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.222 -9.603 -1.206 1.00 0.00 C ATOM 0 H PHE A 87 3.884 -9.088 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 87 5.765 -6.959 -4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.047 -10.006 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.994 -8.907 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.956 -7.163 -2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.877 -11.391 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.357 -7.469 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.290 -11.698 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.528 -9.736 -0.389 1.00 0.00 H new ATOM 1469 N ASN A 88 6.262 -7.019 -7.535 1.00 0.00 N ATOM 1470 CA ASN A 88 7.031 -7.109 -8.814 1.00 0.00 C ATOM 1471 C ASN A 88 7.323 -5.734 -9.382 1.00 0.00 C ATOM 1472 O ASN A 88 7.280 -4.744 -8.688 1.00 0.00 O ATOM 1473 CB ASN A 88 6.175 -7.886 -9.807 1.00 0.00 C ATOM 1474 CG ASN A 88 5.285 -8.900 -9.082 1.00 0.00 C ATOM 1475 OD1 ASN A 88 5.688 -10.022 -8.848 1.00 0.00 O ATOM 1476 ND2 ASN A 88 4.084 -8.548 -8.713 1.00 0.00 N ATOM 0 H ASN A 88 5.688 -6.184 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 88 7.985 -7.603 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.555 -7.195 -10.378 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.817 -8.403 -10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.483 -9.215 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.746 -7.606 -8.909 1.00 0.00 H new ATOM 1483 N GLY A 89 7.652 -5.678 -10.643 1.00 0.00 N ATOM 1484 CA GLY A 89 8.006 -4.376 -11.260 1.00 0.00 C ATOM 1485 C GLY A 89 9.415 -4.073 -10.779 1.00 0.00 C ATOM 1486 O GLY A 89 9.676 -3.029 -10.214 1.00 0.00 O ATOM 0 H GLY A 89 7.690 -6.481 -11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.966 -4.433 -12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.310 -3.594 -10.955 1.00 0.00 H new ATOM 1490 N PRO A 90 10.265 -5.047 -10.978 1.00 0.00 N ATOM 1491 CA PRO A 90 11.665 -4.964 -10.508 1.00 0.00 C ATOM 1492 C PRO A 90 12.418 -3.797 -11.148 1.00 0.00 C ATOM 1493 O PRO A 90 12.049 -3.296 -12.192 1.00 0.00 O ATOM 1494 CB PRO A 90 12.264 -6.314 -10.904 1.00 0.00 C ATOM 1495 CG PRO A 90 11.396 -6.790 -12.019 1.00 0.00 C ATOM 1496 CD PRO A 90 10.011 -6.308 -11.685 1.00 0.00 C ATOM 0 HA PRO A 90 11.732 -4.775 -9.437 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.301 -6.211 -11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.256 -7.013 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.731 -6.389 -12.976 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.424 -7.877 -12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.409 -6.155 -12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.475 -7.021 -11.059 1.00 0.00 H new ATOM 1504 N VAL A 91 13.472 -3.361 -10.514 1.00 0.00 N ATOM 1505 CA VAL A 91 14.266 -2.223 -11.056 1.00 0.00 C ATOM 1506 C VAL A 91 15.038 -2.661 -12.303 1.00 0.00 C ATOM 1507 O VAL A 91 14.925 -3.819 -12.669 1.00 0.00 O ATOM 1508 CB VAL A 91 15.234 -1.843 -9.930 1.00 0.00 C ATOM 1509 CG1 VAL A 91 15.780 -0.437 -10.177 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.501 -1.870 -8.584 1.00 0.00 C ATOM 0 H VAL A 91 13.819 -3.748 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 91 13.636 -1.385 -11.353 1.00 0.00 H new ATOM 0 HB VAL A 91 16.056 -2.558 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.468 -0.168 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.307 -0.414 -11.131 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.955 0.275 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.194 -1.599 -7.787 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.676 -1.158 -8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.112 -2.872 -8.402 1.00 0.00 H new