USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 0.442 K(o=-4.1,f=-13!) USER MOD Set 1.2: A 58 ASN : amide:sc= -4.56! C(o=-4.1!,f=-10!) USER MOD Set 2.1: A 28 MET CE :methyl -113:sc=-0.00307 (180deg=0) USER MOD Set 2.2: A 70 HIS : no HD1:sc=-0.000491 X(o=-0.0036,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0336 (180deg=-0.328) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.151 (180deg=-0.772) USER MOD Single : A 9 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.0061) USER MOD Single : A 11 ASN : amide:sc= -2.77 K(o=-2.8,f=-6.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -3:sc= 1.1 USER MOD Single : A 17 CYS SG : rot 45:sc= 0.333 USER MOD Single : A 22 GLN : amide:sc= -9.47! C(o=-9.5!,f=-19!) USER MOD Single : A 23 SER OG : rot 39:sc= 0.97 USER MOD Single : A 35 CYS SG : rot -38:sc= 0.0362 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.826 USER MOD Single : A 57 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.498 K(o=-0.5,f=-2.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 69 THR OG1 : rot 170:sc= -0.433 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.061 -1.375 -2.970 1.00 0.00 N ATOM 21 CA GLU A 2 11.869 -1.495 -3.857 1.00 0.00 C ATOM 22 C GLU A 2 11.028 -2.695 -3.420 1.00 0.00 C ATOM 23 O GLU A 2 11.501 -3.813 -3.376 1.00 0.00 O ATOM 24 CB GLU A 2 12.328 -1.691 -5.304 1.00 0.00 C ATOM 25 CG GLU A 2 13.121 -0.465 -5.759 1.00 0.00 C ATOM 26 CD GLU A 2 14.474 -0.436 -5.045 1.00 0.00 C ATOM 27 OE1 GLU A 2 15.135 -1.462 -5.029 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.826 0.610 -4.526 1.00 0.00 O ATOM 0 HA GLU A 2 11.270 -0.587 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.945 -2.586 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.465 -1.841 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.269 -0.495 -6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.562 0.445 -5.539 1.00 0.00 H new ATOM 35 N TRP A 3 9.780 -2.472 -3.099 1.00 0.00 N ATOM 36 CA TRP A 3 8.897 -3.599 -2.664 1.00 0.00 C ATOM 37 C TRP A 3 8.071 -4.085 -3.856 1.00 0.00 C ATOM 38 O TRP A 3 8.093 -3.495 -4.919 1.00 0.00 O ATOM 39 CB TRP A 3 7.955 -3.108 -1.564 1.00 0.00 C ATOM 40 CG TRP A 3 8.753 -2.482 -0.464 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.385 -1.288 -0.547 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.014 -2.993 0.874 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.018 -1.034 0.657 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.818 -2.056 1.565 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.635 -4.167 1.550 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.232 -2.276 2.879 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.050 -4.391 2.873 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.848 -3.447 3.536 1.00 0.00 C ATOM 0 H TRP A 3 9.332 -1.556 -3.119 1.00 0.00 H new ATOM 0 HA TRP A 3 9.509 -4.417 -2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.249 -2.385 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.369 -3.941 -1.174 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.394 -0.640 -1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.565 -0.195 0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 3 8.021 -4.901 1.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.846 -1.545 3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.753 -5.296 3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.165 -3.625 4.553 1.00 0.00 H new ATOM 59 N TRP A 4 7.341 -5.159 -3.685 1.00 0.00 N ATOM 60 CA TRP A 4 6.501 -5.699 -4.801 1.00 0.00 C ATOM 61 C TRP A 4 5.114 -6.048 -4.261 1.00 0.00 C ATOM 62 O TRP A 4 4.977 -6.791 -3.309 1.00 0.00 O ATOM 63 CB TRP A 4 7.157 -6.962 -5.364 1.00 0.00 C ATOM 64 CG TRP A 4 8.486 -6.611 -5.955 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.675 -6.113 -7.198 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.808 -6.722 -5.351 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.030 -5.910 -7.397 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.769 -6.272 -6.288 1.00 0.00 C ATOM 69 CE3 TRP A 4 10.262 -7.166 -4.097 1.00 0.00 C ATOM 70 CZ2 TRP A 4 12.132 -6.262 -5.989 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.633 -7.157 -3.793 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.566 -6.706 -4.737 1.00 0.00 C ATOM 0 H TRP A 4 7.290 -5.689 -2.815 1.00 0.00 H new ATOM 0 HA TRP A 4 6.412 -4.951 -5.589 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.282 -7.703 -4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.516 -7.410 -6.123 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.896 -5.907 -7.918 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.433 -5.539 -8.257 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.552 -7.516 -3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.847 -5.914 -6.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.971 -7.500 -2.826 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.619 -6.702 -4.497 1.00 0.00 H new ATOM 83 N VAL A 5 4.081 -5.513 -4.855 1.00 0.00 N ATOM 84 CA VAL A 5 2.707 -5.815 -4.364 1.00 0.00 C ATOM 85 C VAL A 5 2.299 -7.224 -4.801 1.00 0.00 C ATOM 86 O VAL A 5 2.563 -7.642 -5.911 1.00 0.00 O ATOM 87 CB VAL A 5 1.722 -4.795 -4.940 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.031 -3.410 -4.373 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.849 -4.758 -6.464 1.00 0.00 C ATOM 0 H VAL A 5 4.129 -4.883 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 5 2.694 -5.759 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 5 0.707 -5.084 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.329 -2.684 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.937 -3.432 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.048 -3.125 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.146 -4.031 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.865 -4.473 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.627 -5.744 -6.872 1.00 0.00 H new ATOM 99 N LYS A 6 1.649 -7.956 -3.930 1.00 0.00 N ATOM 100 CA LYS A 6 1.204 -9.344 -4.273 1.00 0.00 C ATOM 101 C LYS A 6 -0.315 -9.345 -4.456 1.00 0.00 C ATOM 102 O LYS A 6 -0.858 -10.100 -5.238 1.00 0.00 O ATOM 103 CB LYS A 6 1.578 -10.293 -3.132 1.00 0.00 C ATOM 104 CG LYS A 6 1.206 -11.726 -3.516 1.00 0.00 C ATOM 105 CD LYS A 6 1.666 -12.686 -2.418 1.00 0.00 C ATOM 106 CE LYS A 6 1.134 -14.091 -2.710 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.338 -14.122 -2.472 1.00 0.00 N ATOM 0 H LYS A 6 1.405 -7.649 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 6 1.689 -9.673 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.646 -10.227 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.058 -10.003 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.128 -11.808 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.672 -11.992 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.755 -12.702 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.306 -12.344 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.353 -14.368 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.632 -14.821 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.647 -15.106 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.564 -13.567 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.831 -13.715 -3.293 1.00 0.00 H new ATOM 121 N LYS A 7 -1.003 -8.498 -3.738 1.00 0.00 N ATOM 122 CA LYS A 7 -2.488 -8.432 -3.861 1.00 0.00 C ATOM 123 C LYS A 7 -2.958 -7.031 -3.465 1.00 0.00 C ATOM 124 O LYS A 7 -2.228 -6.272 -2.860 1.00 0.00 O ATOM 125 CB LYS A 7 -3.122 -9.471 -2.930 1.00 0.00 C ATOM 126 CG LYS A 7 -4.587 -9.683 -3.317 1.00 0.00 C ATOM 127 CD LYS A 7 -5.176 -10.817 -2.476 1.00 0.00 C ATOM 128 CE LYS A 7 -6.665 -10.967 -2.791 1.00 0.00 C ATOM 129 NZ LYS A 7 -6.852 -11.084 -4.265 1.00 0.00 N ATOM 0 H LYS A 7 -0.597 -7.845 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.785 -8.642 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.578 -10.413 -2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.054 -9.136 -1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.153 -8.765 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.663 -9.924 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.653 -11.750 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.037 -10.607 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.066 -11.849 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.216 -10.107 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.702 -11.649 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.963 -10.136 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.022 -11.549 -4.684 1.00 0.00 H new ATOM 143 N VAL A 8 -4.166 -6.678 -3.803 1.00 0.00 N ATOM 144 CA VAL A 8 -4.667 -5.321 -3.443 1.00 0.00 C ATOM 145 C VAL A 8 -6.193 -5.289 -3.545 1.00 0.00 C ATOM 146 O VAL A 8 -6.795 -6.035 -4.292 1.00 0.00 O ATOM 147 CB VAL A 8 -4.066 -4.286 -4.400 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.300 -4.731 -5.845 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.727 -2.920 -4.171 1.00 0.00 C ATOM 0 H VAL A 8 -4.826 -7.267 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.372 -5.086 -2.420 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.995 -4.202 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.873 -3.995 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.824 -5.697 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.371 -4.818 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.296 -2.188 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.799 -2.999 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.557 -2.601 -3.143 1.00 0.00 H new ATOM 159 N GLN A 9 -6.820 -4.417 -2.795 1.00 0.00 N ATOM 160 CA GLN A 9 -8.312 -4.306 -2.830 1.00 0.00 C ATOM 161 C GLN A 9 -8.700 -2.827 -2.882 1.00 0.00 C ATOM 162 O GLN A 9 -8.231 -2.025 -2.099 1.00 0.00 O ATOM 163 CB GLN A 9 -8.898 -4.945 -1.568 1.00 0.00 C ATOM 164 CG GLN A 9 -8.214 -6.290 -1.313 1.00 0.00 C ATOM 165 CD GLN A 9 -9.008 -7.078 -0.269 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.448 -7.580 0.685 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.299 -7.208 -0.410 1.00 0.00 N ATOM 0 H GLN A 9 -6.358 -3.772 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.702 -4.819 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.755 -4.284 -0.713 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.972 -5.087 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.149 -6.858 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.194 -6.131 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.770 -6.787 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.837 -7.731 0.281 1.00 0.00 H new ATOM 176 N ASP A 10 -9.548 -2.455 -3.802 1.00 0.00 N ATOM 177 CA ASP A 10 -9.957 -1.026 -3.905 1.00 0.00 C ATOM 178 C ASP A 10 -10.521 -0.555 -2.563 1.00 0.00 C ATOM 179 O ASP A 10 -10.719 -1.334 -1.652 1.00 0.00 O ATOM 180 CB ASP A 10 -11.027 -0.878 -4.989 1.00 0.00 C ATOM 181 CG ASP A 10 -12.197 -1.815 -4.685 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.009 -2.728 -3.898 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.260 -1.604 -5.244 1.00 0.00 O ATOM 0 H ASP A 10 -9.975 -3.079 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.089 -0.420 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.376 0.154 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.604 -1.112 -5.966 1.00 0.00 H new ATOM 188 N ASN A 11 -10.781 0.718 -2.436 1.00 0.00 N ATOM 189 CA ASN A 11 -11.332 1.245 -1.154 1.00 0.00 C ATOM 190 C ASN A 11 -12.843 1.017 -1.117 1.00 0.00 C ATOM 191 O ASN A 11 -13.622 1.949 -1.083 1.00 0.00 O ATOM 192 CB ASN A 11 -11.040 2.744 -1.053 1.00 0.00 C ATOM 193 CG ASN A 11 -11.721 3.476 -2.210 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.258 2.853 -3.107 1.00 0.00 O ATOM 195 ND2 ASN A 11 -11.725 4.780 -2.231 1.00 0.00 N ATOM 0 H ASN A 11 -10.636 1.417 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.866 0.726 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.401 3.132 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.964 2.918 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.178 5.276 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.275 5.304 -1.480 1.00 0.00 H new ATOM 202 N ALA A 12 -13.264 -0.217 -1.124 1.00 0.00 N ATOM 203 CA ALA A 12 -14.725 -0.506 -1.090 1.00 0.00 C ATOM 204 C ALA A 12 -15.295 -0.097 0.270 1.00 0.00 C ATOM 205 O ALA A 12 -16.492 -0.096 0.477 1.00 0.00 O ATOM 206 CB ALA A 12 -14.953 -2.002 -1.311 1.00 0.00 C ATOM 0 H ALA A 12 -12.660 -1.038 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.226 0.058 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.022 -2.215 -1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.547 -2.293 -2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.452 -2.566 -0.524 1.00 0.00 H new ATOM 212 N SER A 13 -14.447 0.249 1.201 1.00 0.00 N ATOM 213 CA SER A 13 -14.943 0.657 2.546 1.00 0.00 C ATOM 214 C SER A 13 -15.408 2.115 2.497 1.00 0.00 C ATOM 215 O SER A 13 -16.474 2.451 2.973 1.00 0.00 O ATOM 216 CB SER A 13 -13.814 0.517 3.569 1.00 0.00 C ATOM 217 OG SER A 13 -13.603 -0.860 3.847 1.00 0.00 O ATOM 0 H SER A 13 -13.433 0.267 1.088 1.00 0.00 H new ATOM 0 HA SER A 13 -15.778 0.018 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.899 0.966 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.069 1.050 4.485 1.00 0.00 H new ATOM 0 HG SER A 13 -12.879 -0.955 4.501 1.00 0.00 H new ATOM 223 N ALA A 14 -14.616 2.980 1.922 1.00 0.00 N ATOM 224 CA ALA A 14 -15.003 4.418 1.837 1.00 0.00 C ATOM 225 C ALA A 14 -13.835 5.213 1.244 1.00 0.00 C ATOM 226 O ALA A 14 -13.979 5.903 0.254 1.00 0.00 O ATOM 227 CB ALA A 14 -15.333 4.948 3.241 1.00 0.00 C ATOM 0 H ALA A 14 -13.713 2.751 1.506 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.882 4.527 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.615 5.999 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.160 4.375 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.458 4.846 3.883 1.00 0.00 H new ATOM 233 N SER A 15 -12.681 5.121 1.846 1.00 0.00 N ATOM 234 CA SER A 15 -11.501 5.866 1.324 1.00 0.00 C ATOM 235 C SER A 15 -10.221 5.211 1.841 1.00 0.00 C ATOM 236 O SER A 15 -9.250 5.875 2.146 1.00 0.00 O ATOM 237 CB SER A 15 -11.562 7.318 1.804 1.00 0.00 C ATOM 238 OG SER A 15 -12.588 8.002 1.100 1.00 0.00 O ATOM 0 H SER A 15 -12.504 4.560 2.679 1.00 0.00 H new ATOM 0 HA SER A 15 -11.507 5.844 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.756 7.351 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.603 7.808 1.639 1.00 0.00 H new ATOM 0 HG SER A 15 -12.989 7.400 0.439 1.00 0.00 H new ATOM 244 N LEU A 16 -10.215 3.906 1.946 1.00 0.00 N ATOM 245 CA LEU A 16 -9.003 3.187 2.448 1.00 0.00 C ATOM 246 C LEU A 16 -8.779 1.929 1.607 1.00 0.00 C ATOM 247 O LEU A 16 -9.575 1.011 1.627 1.00 0.00 O ATOM 248 CB LEU A 16 -9.222 2.772 3.908 1.00 0.00 C ATOM 249 CG LEU A 16 -9.152 4.002 4.835 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.902 3.706 6.137 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.690 4.338 5.169 1.00 0.00 C ATOM 0 H LEU A 16 -11.002 3.304 1.704 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.137 3.845 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.192 2.285 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.466 2.044 4.203 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.609 4.849 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.852 4.576 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.945 3.480 5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.444 2.851 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.657 5.209 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.227 3.488 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.147 4.556 4.249 1.00 0.00 H new ATOM 263 N CYS A 17 -7.694 1.869 0.879 1.00 0.00 N ATOM 264 CA CYS A 17 -7.408 0.662 0.048 1.00 0.00 C ATOM 265 C CYS A 17 -6.426 -0.221 0.811 1.00 0.00 C ATOM 266 O CYS A 17 -5.614 0.265 1.566 1.00 0.00 O ATOM 267 CB CYS A 17 -6.782 1.095 -1.280 1.00 0.00 C ATOM 268 SG CYS A 17 -6.103 -0.354 -2.128 1.00 0.00 S ATOM 0 H CYS A 17 -6.992 2.607 0.824 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.329 0.114 -0.154 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.531 1.579 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.995 1.827 -1.102 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.960 -1.330 -2.072 1.00 0.00 H new ATOM 274 N ARG A 18 -6.492 -1.514 0.625 1.00 0.00 N ATOM 275 CA ARG A 18 -5.553 -2.432 1.346 1.00 0.00 C ATOM 276 C ARG A 18 -4.529 -2.976 0.355 1.00 0.00 C ATOM 277 O ARG A 18 -4.833 -3.208 -0.799 1.00 0.00 O ATOM 278 CB ARG A 18 -6.344 -3.594 1.953 1.00 0.00 C ATOM 279 CG ARG A 18 -5.433 -4.407 2.875 1.00 0.00 C ATOM 280 CD ARG A 18 -6.254 -5.490 3.578 1.00 0.00 C ATOM 281 NE ARG A 18 -7.347 -4.852 4.365 1.00 0.00 N ATOM 282 CZ ARG A 18 -8.299 -5.586 4.873 1.00 0.00 C ATOM 283 NH1 ARG A 18 -8.294 -6.879 4.692 1.00 0.00 N ATOM 284 NH2 ARG A 18 -9.257 -5.028 5.561 1.00 0.00 N ATOM 0 H ARG A 18 -7.156 -1.977 0.004 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.042 -1.888 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.198 -3.213 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.740 -4.231 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.628 -4.863 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.967 -3.753 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.674 -6.177 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.613 -6.078 4.235 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.351 -3.842 4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.546 -7.316 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.038 -7.452 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.262 -4.018 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.001 -5.602 5.958 1.00 0.00 H new ATOM 298 N VAL A 19 -3.311 -3.175 0.790 1.00 0.00 N ATOM 299 CA VAL A 19 -2.258 -3.697 -0.140 1.00 0.00 C ATOM 300 C VAL A 19 -1.336 -4.670 0.593 1.00 0.00 C ATOM 301 O VAL A 19 -0.900 -4.420 1.699 1.00 0.00 O ATOM 302 CB VAL A 19 -1.420 -2.528 -0.665 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.335 -1.468 -1.277 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.625 -1.910 0.489 1.00 0.00 C ATOM 0 H VAL A 19 -2.998 -3.000 1.745 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.747 -4.215 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.733 -2.894 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.733 -0.639 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.898 -1.906 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.027 -1.103 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.028 -1.078 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.314 -1.549 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.034 -2.663 0.921 1.00 0.00 H new ATOM 314 N VAL A 20 -1.010 -5.768 -0.038 1.00 0.00 N ATOM 315 CA VAL A 20 -0.084 -6.758 0.586 1.00 0.00 C ATOM 316 C VAL A 20 1.300 -6.563 -0.035 1.00 0.00 C ATOM 317 O VAL A 20 1.497 -6.797 -1.211 1.00 0.00 O ATOM 318 CB VAL A 20 -0.578 -8.178 0.299 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.211 -9.174 1.152 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.064 -8.280 0.646 1.00 0.00 C ATOM 0 H VAL A 20 -1.349 -6.023 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.043 -6.612 1.665 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.433 -8.406 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.140 -10.186 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.271 -9.102 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.065 -8.945 2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.417 -9.291 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.207 -8.052 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.628 -7.570 0.042 1.00 0.00 H new ATOM 330 N LEU A 21 2.258 -6.115 0.734 1.00 0.00 N ATOM 331 CA LEU A 21 3.625 -5.882 0.171 1.00 0.00 C ATOM 332 C LEU A 21 4.517 -7.094 0.441 1.00 0.00 C ATOM 333 O LEU A 21 4.705 -7.503 1.570 1.00 0.00 O ATOM 334 CB LEU A 21 4.238 -4.648 0.837 1.00 0.00 C ATOM 335 CG LEU A 21 3.197 -3.529 0.902 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.851 -2.258 1.448 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.645 -3.260 -0.503 1.00 0.00 C ATOM 0 H LEU A 21 2.155 -5.900 1.726 1.00 0.00 H new ATOM 0 HA LEU A 21 3.548 -5.727 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.582 -4.897 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.110 -4.315 0.275 1.00 0.00 H new ATOM 0 HG LEU A 21 2.381 -3.829 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.111 -1.459 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.242 -2.450 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.667 -1.958 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.903 -2.463 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.459 -2.960 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.179 -4.166 -0.891 1.00 0.00 H new ATOM 349 N GLN A 22 5.071 -7.667 -0.598 1.00 0.00 N ATOM 350 CA GLN A 22 5.962 -8.855 -0.437 1.00 0.00 C ATOM 351 C GLN A 22 7.417 -8.417 -0.605 1.00 0.00 C ATOM 352 O GLN A 22 7.726 -7.541 -1.390 1.00 0.00 O ATOM 353 CB GLN A 22 5.613 -9.895 -1.507 1.00 0.00 C ATOM 354 CG GLN A 22 6.406 -11.187 -1.263 1.00 0.00 C ATOM 355 CD GLN A 22 7.845 -11.012 -1.754 1.00 0.00 C ATOM 356 OE1 GLN A 22 8.783 -11.290 -1.034 1.00 0.00 O ATOM 357 NE2 GLN A 22 8.060 -10.559 -2.960 1.00 0.00 N ATOM 0 H GLN A 22 4.942 -7.358 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 22 5.824 -9.291 0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.544 -10.106 -1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.841 -9.500 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.402 -11.432 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.933 -12.019 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.273 -10.325 -3.565 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.015 -10.439 -3.297 1.00 0.00 H new ATOM 366 N SER A 23 8.316 -9.018 0.131 1.00 0.00 N ATOM 367 CA SER A 23 9.758 -8.637 0.021 1.00 0.00 C ATOM 368 C SER A 23 10.632 -9.880 0.196 1.00 0.00 C ATOM 369 O SER A 23 10.846 -10.351 1.295 1.00 0.00 O ATOM 370 CB SER A 23 10.099 -7.620 1.111 1.00 0.00 C ATOM 371 OG SER A 23 9.793 -8.176 2.383 1.00 0.00 O ATOM 0 H SER A 23 8.115 -9.757 0.804 1.00 0.00 H new ATOM 0 HA SER A 23 9.943 -8.199 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.155 -7.356 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.533 -6.701 0.957 1.00 0.00 H new ATOM 0 HG SER A 23 10.036 -9.125 2.392 1.00 0.00 H new ATOM 377 N GLY A 24 11.144 -10.413 -0.881 1.00 0.00 N ATOM 378 CA GLY A 24 12.008 -11.623 -0.778 1.00 0.00 C ATOM 379 C GLY A 24 11.146 -12.843 -0.451 1.00 0.00 C ATOM 380 O GLY A 24 11.203 -13.853 -1.124 1.00 0.00 O ATOM 0 H GLY A 24 11.001 -10.062 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.541 -11.782 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.761 -11.479 -0.003 1.00 0.00 H new ATOM 384 N ALA A 25 10.351 -12.759 0.579 1.00 0.00 N ATOM 385 CA ALA A 25 9.487 -13.915 0.949 1.00 0.00 C ATOM 386 C ALA A 25 8.527 -13.495 2.064 1.00 0.00 C ATOM 387 O ALA A 25 7.417 -13.979 2.157 1.00 0.00 O ATOM 388 CB ALA A 25 10.363 -15.070 1.439 1.00 0.00 C ATOM 0 H ALA A 25 10.262 -11.940 1.181 1.00 0.00 H new ATOM 0 HA ALA A 25 8.916 -14.237 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.731 -15.916 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.049 -15.368 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.934 -14.749 2.311 1.00 0.00 H new ATOM 394 N LEU A 26 8.947 -12.595 2.912 1.00 0.00 N ATOM 395 CA LEU A 26 8.059 -12.142 4.019 1.00 0.00 C ATOM 396 C LEU A 26 6.934 -11.280 3.442 1.00 0.00 C ATOM 397 O LEU A 26 7.166 -10.405 2.631 1.00 0.00 O ATOM 398 CB LEU A 26 8.876 -11.321 5.024 1.00 0.00 C ATOM 399 CG LEU A 26 9.692 -12.257 5.920 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.506 -13.224 5.054 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.642 -11.428 6.788 1.00 0.00 C ATOM 0 H LEU A 26 9.867 -12.155 2.885 1.00 0.00 H new ATOM 0 HA LEU A 26 7.630 -13.007 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.541 -10.639 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.211 -10.709 5.633 1.00 0.00 H new ATOM 0 HG LEU A 26 9.016 -12.827 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.085 -13.888 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.831 -13.815 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.182 -12.658 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.224 -12.092 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.315 -10.858 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.064 -10.743 7.408 1.00 0.00 H new ATOM 413 N GLU A 27 5.715 -11.521 3.855 1.00 0.00 N ATOM 414 CA GLU A 27 4.562 -10.720 3.336 1.00 0.00 C ATOM 415 C GLU A 27 4.160 -9.678 4.381 1.00 0.00 C ATOM 416 O GLU A 27 4.462 -9.812 5.551 1.00 0.00 O ATOM 417 CB GLU A 27 3.378 -11.654 3.067 1.00 0.00 C ATOM 418 CG GLU A 27 3.868 -12.898 2.323 1.00 0.00 C ATOM 419 CD GLU A 27 2.669 -13.766 1.937 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.571 -13.237 1.887 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.869 -14.945 1.698 1.00 0.00 O ATOM 0 H GLU A 27 5.467 -12.242 4.533 1.00 0.00 H new ATOM 0 HA GLU A 27 4.849 -10.219 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.907 -11.941 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.621 -11.138 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.422 -12.607 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.554 -13.465 2.953 1.00 0.00 H new ATOM 428 N MET A 28 3.481 -8.637 3.973 1.00 0.00 N ATOM 429 CA MET A 28 3.064 -7.587 4.948 1.00 0.00 C ATOM 430 C MET A 28 1.751 -6.951 4.492 1.00 0.00 C ATOM 431 O MET A 28 1.605 -6.548 3.355 1.00 0.00 O ATOM 432 CB MET A 28 4.149 -6.510 5.029 1.00 0.00 C ATOM 433 CG MET A 28 5.432 -7.118 5.597 1.00 0.00 C ATOM 434 SD MET A 28 6.592 -5.793 6.015 1.00 0.00 S ATOM 435 CE MET A 28 7.686 -6.773 7.073 1.00 0.00 C ATOM 0 H MET A 28 3.198 -8.469 3.008 1.00 0.00 H new ATOM 0 HA MET A 28 2.923 -8.041 5.929 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.338 -6.095 4.039 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.813 -5.688 5.661 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.205 -7.711 6.483 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.881 -7.793 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.607 -6.422 8.102 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.395 -7.822 7.024 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.715 -6.665 6.731 1.00 0.00 H new ATOM 445 N ILE A 29 0.797 -6.845 5.381 1.00 0.00 N ATOM 446 CA ILE A 29 -0.515 -6.220 5.027 1.00 0.00 C ATOM 447 C ILE A 29 -0.528 -4.796 5.573 1.00 0.00 C ATOM 448 O ILE A 29 -0.054 -4.545 6.665 1.00 0.00 O ATOM 449 CB ILE A 29 -1.652 -7.021 5.669 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.745 -8.397 5.008 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.975 -6.275 5.480 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.680 -9.294 5.823 1.00 0.00 C ATOM 0 H ILE A 29 0.871 -7.167 6.346 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.650 -6.212 3.945 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.452 -7.142 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.117 -8.298 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.755 -8.849 4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.783 -6.846 5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.911 -5.295 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.175 -6.152 4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.746 -10.275 5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.289 -9.403 6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.672 -8.844 5.864 1.00 0.00 H new ATOM 464 N ALA A 30 -1.047 -3.851 4.833 1.00 0.00 N ATOM 465 CA ALA A 30 -1.057 -2.447 5.340 1.00 0.00 C ATOM 466 C ALA A 30 -2.281 -1.691 4.828 1.00 0.00 C ATOM 467 O ALA A 30 -2.711 -1.864 3.705 1.00 0.00 O ATOM 468 CB ALA A 30 0.218 -1.740 4.868 1.00 0.00 C ATOM 0 H ALA A 30 -1.460 -3.988 3.910 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.098 -2.465 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.221 -0.713 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.090 -2.266 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.251 -1.738 3.778 1.00 0.00 H new ATOM 474 N GLU A 31 -2.830 -0.831 5.648 1.00 0.00 N ATOM 475 CA GLU A 31 -4.013 -0.031 5.218 1.00 0.00 C ATOM 476 C GLU A 31 -3.505 1.216 4.490 1.00 0.00 C ATOM 477 O GLU A 31 -2.687 1.954 5.002 1.00 0.00 O ATOM 478 CB GLU A 31 -4.833 0.379 6.448 1.00 0.00 C ATOM 479 CG GLU A 31 -5.764 -0.767 6.859 1.00 0.00 C ATOM 480 CD GLU A 31 -6.269 -0.533 8.284 1.00 0.00 C ATOM 481 OE1 GLU A 31 -5.497 -0.735 9.206 1.00 0.00 O ATOM 482 OE2 GLU A 31 -7.420 -0.154 8.429 1.00 0.00 O ATOM 0 H GLU A 31 -2.508 -0.649 6.599 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.649 -0.619 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.167 0.631 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.417 1.272 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.606 -0.830 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.234 -1.718 6.802 1.00 0.00 H new ATOM 489 N ILE A 32 -3.965 1.435 3.287 1.00 0.00 N ATOM 490 CA ILE A 32 -3.502 2.610 2.481 1.00 0.00 C ATOM 491 C ILE A 32 -4.647 3.619 2.318 1.00 0.00 C ATOM 492 O ILE A 32 -5.805 3.262 2.237 1.00 0.00 O ATOM 493 CB ILE A 32 -3.035 2.087 1.103 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.559 1.659 1.174 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.181 3.165 0.022 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.316 0.751 2.383 1.00 0.00 C ATOM 0 H ILE A 32 -4.652 0.843 2.820 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.679 3.118 2.983 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.663 1.235 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.283 1.136 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.922 2.541 1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.845 2.768 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.227 3.463 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.576 4.031 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.266 0.460 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.572 1.286 3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.937 -0.141 2.299 1.00 0.00 H new ATOM 508 N GLU A 33 -4.304 4.882 2.254 1.00 0.00 N ATOM 509 CA GLU A 33 -5.327 5.959 2.079 1.00 0.00 C ATOM 510 C GLU A 33 -5.030 6.707 0.776 1.00 0.00 C ATOM 511 O GLU A 33 -4.060 7.432 0.677 1.00 0.00 O ATOM 512 CB GLU A 33 -5.232 6.935 3.255 1.00 0.00 C ATOM 513 CG GLU A 33 -6.480 7.819 3.292 1.00 0.00 C ATOM 514 CD GLU A 33 -6.395 8.772 4.485 1.00 0.00 C ATOM 515 OE1 GLU A 33 -6.478 8.297 5.606 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.251 9.962 4.258 1.00 0.00 O ATOM 0 H GLU A 33 -3.343 5.217 2.317 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.327 5.527 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.137 6.384 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.339 7.553 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.564 8.386 2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.374 7.201 3.370 1.00 0.00 H new ATOM 523 N ALA A 34 -5.848 6.535 -0.231 1.00 0.00 N ATOM 524 CA ALA A 34 -5.597 7.235 -1.527 1.00 0.00 C ATOM 525 C ALA A 34 -6.927 7.595 -2.190 1.00 0.00 C ATOM 526 O ALA A 34 -7.983 7.456 -1.606 1.00 0.00 O ATOM 527 CB ALA A 34 -4.805 6.312 -2.458 1.00 0.00 C ATOM 0 H ALA A 34 -6.677 5.941 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.029 8.146 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.621 6.821 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.853 6.055 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.377 5.402 -2.641 1.00 0.00 H new ATOM 533 N CYS A 35 -6.877 8.057 -3.411 1.00 0.00 N ATOM 534 CA CYS A 35 -8.128 8.431 -4.133 1.00 0.00 C ATOM 535 C CYS A 35 -7.945 8.146 -5.625 1.00 0.00 C ATOM 536 O CYS A 35 -8.891 8.133 -6.386 1.00 0.00 O ATOM 537 CB CYS A 35 -8.409 9.921 -3.929 1.00 0.00 C ATOM 538 SG CYS A 35 -10.093 10.298 -4.476 1.00 0.00 S ATOM 0 H CYS A 35 -6.017 8.192 -3.943 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.965 7.850 -3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.289 10.184 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.691 10.518 -4.491 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.365 9.612 -5.546 1.00 0.00 H new ATOM 544 N ARG A 36 -6.731 7.914 -6.045 1.00 0.00 N ATOM 545 CA ARG A 36 -6.483 7.624 -7.484 1.00 0.00 C ATOM 546 C ARG A 36 -7.034 6.237 -7.815 1.00 0.00 C ATOM 547 O ARG A 36 -7.529 5.997 -8.899 1.00 0.00 O ATOM 548 CB ARG A 36 -4.977 7.657 -7.761 1.00 0.00 C ATOM 549 CG ARG A 36 -4.447 9.075 -7.535 1.00 0.00 C ATOM 550 CD ARG A 36 -2.929 9.090 -7.724 1.00 0.00 C ATOM 551 NE ARG A 36 -2.399 10.441 -7.383 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.486 11.413 -8.249 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.037 11.203 -9.414 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.022 12.596 -7.951 1.00 0.00 N ATOM 0 H ARG A 36 -5.901 7.913 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.978 8.374 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.461 6.956 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.778 7.342 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.918 9.766 -8.234 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.702 9.414 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.465 8.335 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.678 8.838 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.969 10.605 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.400 10.279 -9.647 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.105 11.963 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.591 12.761 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.090 13.356 -8.628 1.00 0.00 H new ATOM 568 N LEU A 37 -6.957 5.324 -6.882 1.00 0.00 N ATOM 569 CA LEU A 37 -7.479 3.948 -7.122 1.00 0.00 C ATOM 570 C LEU A 37 -7.056 3.461 -8.510 1.00 0.00 C ATOM 571 O LEU A 37 -7.860 3.365 -9.416 1.00 0.00 O ATOM 572 CB LEU A 37 -9.003 3.965 -7.021 1.00 0.00 C ATOM 573 CG LEU A 37 -9.429 4.797 -5.807 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.944 4.686 -5.620 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.720 4.279 -4.551 1.00 0.00 C ATOM 0 H LEU A 37 -6.552 5.475 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.070 3.270 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.433 4.384 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.383 2.947 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.157 5.840 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.248 5.278 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.449 5.059 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.215 3.643 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.025 4.873 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.989 3.236 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.641 4.359 -4.683 1.00 0.00 H new ATOM 587 N ARG A 38 -5.799 3.154 -8.685 1.00 0.00 N ATOM 588 CA ARG A 38 -5.320 2.672 -10.015 1.00 0.00 C ATOM 589 C ARG A 38 -4.114 1.751 -9.816 1.00 0.00 C ATOM 590 O ARG A 38 -3.284 1.600 -10.691 1.00 0.00 O ATOM 591 CB ARG A 38 -4.912 3.869 -10.875 1.00 0.00 C ATOM 592 CG ARG A 38 -3.778 4.631 -10.187 1.00 0.00 C ATOM 593 CD ARG A 38 -3.517 5.940 -10.933 1.00 0.00 C ATOM 594 NE ARG A 38 -3.096 5.639 -12.331 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.200 6.554 -13.256 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.671 7.733 -12.958 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.833 6.288 -14.480 1.00 0.00 N ATOM 0 H ARG A 38 -5.081 3.216 -7.963 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.119 2.124 -10.514 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.591 3.530 -11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.767 4.528 -11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.041 4.838 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.874 4.022 -10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.417 6.555 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.742 6.513 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.726 4.717 -12.565 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.958 7.941 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.752 8.448 -13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.465 5.366 -14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.914 7.003 -15.203 1.00 0.00 H new ATOM 611 N LEU A 39 -4.011 1.136 -8.670 1.00 0.00 N ATOM 612 CA LEU A 39 -2.861 0.226 -8.413 1.00 0.00 C ATOM 613 C LEU A 39 -3.089 -1.098 -9.149 1.00 0.00 C ATOM 614 O LEU A 39 -4.176 -1.384 -9.609 1.00 0.00 O ATOM 615 CB LEU A 39 -2.745 -0.037 -6.906 1.00 0.00 C ATOM 616 CG LEU A 39 -2.075 1.158 -6.221 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.957 2.402 -6.370 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.880 0.845 -4.735 1.00 0.00 C ATOM 0 H LEU A 39 -4.674 1.225 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.941 0.688 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.734 -0.205 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.164 -0.942 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.108 1.347 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.476 3.249 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.096 2.625 -7.428 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.927 2.218 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.403 1.693 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.849 0.656 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.249 -0.037 -4.629 1.00 0.00 H new ATOM 630 N ARG A 40 -2.070 -1.908 -9.259 1.00 0.00 N ATOM 631 CA ARG A 40 -2.223 -3.215 -9.962 1.00 0.00 C ATOM 632 C ARG A 40 -1.220 -4.218 -9.388 1.00 0.00 C ATOM 633 O ARG A 40 -0.272 -3.850 -8.723 1.00 0.00 O ATOM 634 CB ARG A 40 -1.955 -3.022 -11.458 1.00 0.00 C ATOM 635 CG ARG A 40 -2.466 -4.238 -12.236 1.00 0.00 C ATOM 636 CD ARG A 40 -2.338 -3.973 -13.737 1.00 0.00 C ATOM 637 NE ARG A 40 -3.190 -2.809 -14.110 1.00 0.00 N ATOM 638 CZ ARG A 40 -3.466 -2.578 -15.365 1.00 0.00 C ATOM 639 NH1 ARG A 40 -2.993 -3.365 -16.292 1.00 0.00 N ATOM 640 NH2 ARG A 40 -4.214 -1.560 -15.691 1.00 0.00 N ATOM 0 H ARG A 40 -1.137 -1.721 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.236 -3.591 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.450 -2.118 -11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.887 -2.890 -11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.894 -5.125 -11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.506 -4.437 -11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.298 -3.773 -13.995 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.642 -4.855 -14.300 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.558 -2.193 -13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.408 -4.160 -16.036 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.208 -3.185 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.583 -0.945 -14.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.430 -1.379 -16.671 1.00 0.00 H new ATOM 654 N GLU A 41 -1.423 -5.482 -9.636 1.00 0.00 N ATOM 655 CA GLU A 41 -0.484 -6.507 -9.103 1.00 0.00 C ATOM 656 C GLU A 41 0.851 -6.415 -9.846 1.00 0.00 C ATOM 657 O GLU A 41 0.899 -6.097 -11.017 1.00 0.00 O ATOM 658 CB GLU A 41 -1.084 -7.900 -9.303 1.00 0.00 C ATOM 659 CG GLU A 41 -2.330 -8.050 -8.429 1.00 0.00 C ATOM 660 CD GLU A 41 -2.959 -9.425 -8.668 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.219 -10.394 -8.702 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.168 -9.485 -8.812 1.00 0.00 O ATOM 0 H GLU A 41 -2.200 -5.849 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.320 -6.330 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.342 -8.049 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.351 -8.664 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.065 -7.937 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.048 -7.264 -8.663 1.00 0.00 H new ATOM 669 N GLY A 42 1.935 -6.695 -9.173 1.00 0.00 N ATOM 670 CA GLY A 42 3.266 -6.627 -9.840 1.00 0.00 C ATOM 671 C GLY A 42 3.748 -5.175 -9.881 1.00 0.00 C ATOM 672 O GLY A 42 4.671 -4.839 -10.597 1.00 0.00 O ATOM 0 H GLY A 42 1.956 -6.968 -8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.985 -7.244 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.197 -7.026 -10.852 1.00 0.00 H new ATOM 676 N ASP A 43 3.134 -4.312 -9.120 1.00 0.00 N ATOM 677 CA ASP A 43 3.562 -2.885 -9.117 1.00 0.00 C ATOM 678 C ASP A 43 4.836 -2.736 -8.283 1.00 0.00 C ATOM 679 O ASP A 43 4.977 -3.335 -7.233 1.00 0.00 O ATOM 680 CB ASP A 43 2.454 -2.017 -8.516 1.00 0.00 C ATOM 681 CG ASP A 43 2.722 -0.547 -8.843 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.814 -0.251 -9.299 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.829 0.258 -8.633 1.00 0.00 O ATOM 0 H ASP A 43 2.355 -4.533 -8.500 1.00 0.00 H new ATOM 0 HA ASP A 43 3.757 -2.564 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.485 -2.318 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.412 -2.158 -7.436 1.00 0.00 H new ATOM 688 N LYS A 44 5.767 -1.940 -8.746 1.00 0.00 N ATOM 689 CA LYS A 44 7.041 -1.740 -7.989 1.00 0.00 C ATOM 690 C LYS A 44 6.952 -0.442 -7.185 1.00 0.00 C ATOM 691 O LYS A 44 6.902 0.641 -7.739 1.00 0.00 O ATOM 692 CB LYS A 44 8.207 -1.647 -8.977 1.00 0.00 C ATOM 693 CG LYS A 44 8.110 -2.787 -9.995 1.00 0.00 C ATOM 694 CD LYS A 44 9.445 -2.938 -10.728 1.00 0.00 C ATOM 695 CE LYS A 44 9.729 -1.676 -11.546 1.00 0.00 C ATOM 696 NZ LYS A 44 10.809 -1.957 -12.533 1.00 0.00 N ATOM 0 H LYS A 44 5.699 -1.418 -9.620 1.00 0.00 H new ATOM 0 HA LYS A 44 7.202 -2.579 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.187 -0.685 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.155 -1.703 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.854 -3.718 -9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.313 -2.583 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.248 -3.106 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.415 -3.809 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.825 -1.353 -12.062 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.028 -0.861 -10.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.003 -1.100 -13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.672 -2.246 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.507 -2.722 -13.170 1.00 0.00 H new ATOM 710 N LEU A 45 6.931 -0.543 -5.879 1.00 0.00 N ATOM 711 CA LEU A 45 6.842 0.680 -5.023 1.00 0.00 C ATOM 712 C LEU A 45 8.238 1.040 -4.500 1.00 0.00 C ATOM 713 O LEU A 45 8.802 0.341 -3.682 1.00 0.00 O ATOM 714 CB LEU A 45 5.904 0.408 -3.835 1.00 0.00 C ATOM 715 CG LEU A 45 4.735 -0.475 -4.279 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.788 -0.695 -3.099 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.976 0.215 -5.415 1.00 0.00 C ATOM 0 H LEU A 45 6.972 -1.424 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 45 6.450 1.508 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.455 -0.081 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.527 1.350 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 45 5.117 -1.435 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.955 -1.324 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.326 -1.185 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.407 0.266 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.144 -0.414 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.594 1.175 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.649 0.376 -6.257 1.00 0.00 H new ATOM 729 N THR A 46 8.795 2.127 -4.961 1.00 0.00 N ATOM 730 CA THR A 46 10.149 2.537 -4.488 1.00 0.00 C ATOM 731 C THR A 46 9.992 3.384 -3.215 1.00 0.00 C ATOM 732 O THR A 46 8.989 4.043 -3.034 1.00 0.00 O ATOM 733 CB THR A 46 10.827 3.374 -5.580 1.00 0.00 C ATOM 734 OG1 THR A 46 10.434 4.733 -5.446 1.00 0.00 O ATOM 735 CG2 THR A 46 10.413 2.855 -6.958 1.00 0.00 C ATOM 0 H THR A 46 8.370 2.751 -5.647 1.00 0.00 H new ATOM 0 HA THR A 46 10.756 1.658 -4.273 1.00 0.00 H new ATOM 0 HB THR A 46 11.909 3.296 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.868 5.269 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.896 3.452 -7.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.716 1.813 -7.061 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.331 2.930 -7.065 1.00 0.00 H new ATOM 743 N PRO A 47 10.967 3.374 -2.334 1.00 0.00 N ATOM 744 CA PRO A 47 10.903 4.164 -1.067 1.00 0.00 C ATOM 745 C PRO A 47 11.073 5.669 -1.319 1.00 0.00 C ATOM 746 O PRO A 47 11.984 6.094 -2.001 1.00 0.00 O ATOM 747 CB PRO A 47 12.072 3.609 -0.239 1.00 0.00 C ATOM 748 CG PRO A 47 13.058 3.127 -1.253 1.00 0.00 C ATOM 749 CD PRO A 47 12.231 2.618 -2.438 1.00 0.00 C ATOM 0 HA PRO A 47 9.939 4.069 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.505 4.378 0.400 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.746 2.799 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.726 3.931 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.682 2.333 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.733 2.806 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.061 1.543 -2.375 1.00 0.00 H new ATOM 757 N LEU A 48 10.201 6.476 -0.774 1.00 0.00 N ATOM 758 CA LEU A 48 10.314 7.948 -0.984 1.00 0.00 C ATOM 759 C LEU A 48 11.358 8.517 -0.017 1.00 0.00 C ATOM 760 O LEU A 48 12.453 8.868 -0.410 1.00 0.00 O ATOM 761 CB LEU A 48 8.945 8.602 -0.730 1.00 0.00 C ATOM 762 CG LEU A 48 8.849 9.939 -1.476 1.00 0.00 C ATOM 763 CD1 LEU A 48 7.491 10.584 -1.188 1.00 0.00 C ATOM 764 CD2 LEU A 48 9.971 10.877 -1.010 1.00 0.00 C ATOM 0 H LEU A 48 9.417 6.179 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 48 10.625 8.156 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.149 7.935 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.803 8.763 0.339 1.00 0.00 H new ATOM 0 HG LEU A 48 8.951 9.763 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.420 11.534 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.694 9.921 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.390 10.757 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.898 11.825 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.875 11.055 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.938 10.418 -1.217 1.00 0.00 H new ATOM 776 N ALA A 49 11.029 8.609 1.242 1.00 0.00 N ATOM 777 CA ALA A 49 12.003 9.154 2.230 1.00 0.00 C ATOM 778 C ALA A 49 11.451 8.969 3.645 1.00 0.00 C ATOM 779 O ALA A 49 12.029 8.280 4.462 1.00 0.00 O ATOM 780 CB ALA A 49 12.224 10.643 1.960 1.00 0.00 C ATOM 0 H ALA A 49 10.128 8.330 1.630 1.00 0.00 H new ATOM 0 HA ALA A 49 12.951 8.623 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.936 11.042 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.617 10.776 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.277 11.174 2.053 1.00 0.00 H new ATOM 786 N ASP A 50 10.337 9.581 3.942 1.00 0.00 N ATOM 787 CA ASP A 50 9.751 9.441 5.304 1.00 0.00 C ATOM 788 C ASP A 50 9.072 8.075 5.431 1.00 0.00 C ATOM 789 O ASP A 50 9.250 7.373 6.406 1.00 0.00 O ATOM 790 CB ASP A 50 8.717 10.547 5.530 1.00 0.00 C ATOM 791 CG ASP A 50 9.415 11.908 5.513 1.00 0.00 C ATOM 792 OD1 ASP A 50 9.895 12.319 6.557 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.458 12.516 4.457 1.00 0.00 O ATOM 0 H ASP A 50 9.808 10.171 3.300 1.00 0.00 H new ATOM 0 HA ASP A 50 10.542 9.524 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.952 10.509 4.754 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.211 10.397 6.484 1.00 0.00 H new ATOM 798 N ALA A 51 8.295 7.695 4.454 1.00 0.00 N ATOM 799 CA ALA A 51 7.607 6.374 4.522 1.00 0.00 C ATOM 800 C ALA A 51 6.833 6.131 3.225 1.00 0.00 C ATOM 801 O ALA A 51 6.797 5.032 2.710 1.00 0.00 O ATOM 802 CB ALA A 51 6.634 6.366 5.705 1.00 0.00 C ATOM 0 H ALA A 51 8.107 8.241 3.613 1.00 0.00 H new ATOM 0 HA ALA A 51 8.349 5.586 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.131 5.401 5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.185 6.537 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.894 7.155 5.572 1.00 0.00 H new ATOM 808 N ARG A 52 6.211 7.148 2.694 1.00 0.00 N ATOM 809 CA ARG A 52 5.437 6.970 1.433 1.00 0.00 C ATOM 810 C ARG A 52 6.309 6.258 0.399 1.00 0.00 C ATOM 811 O ARG A 52 7.522 6.289 0.473 1.00 0.00 O ATOM 812 CB ARG A 52 5.020 8.340 0.894 1.00 0.00 C ATOM 813 CG ARG A 52 4.285 9.117 1.987 1.00 0.00 C ATOM 814 CD ARG A 52 3.637 10.363 1.380 1.00 0.00 C ATOM 815 NE ARG A 52 4.697 11.271 0.863 1.00 0.00 N ATOM 816 CZ ARG A 52 4.392 12.483 0.487 1.00 0.00 C ATOM 817 NH1 ARG A 52 3.157 12.898 0.565 1.00 0.00 N ATOM 818 NH2 ARG A 52 5.321 13.280 0.034 1.00 0.00 N ATOM 0 H ARG A 52 6.205 8.093 3.078 1.00 0.00 H new ATOM 0 HA ARG A 52 4.547 6.372 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.898 8.896 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.376 8.219 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.524 8.486 2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.981 9.404 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.962 10.078 0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.037 10.877 2.131 1.00 0.00 H new ATOM 0 HE ARG A 52 5.662 10.946 0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.431 12.275 0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.918 13.845 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.286 12.956 -0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.082 14.227 -0.260 1.00 0.00 H new ATOM 832 N TYR A 53 5.698 5.618 -0.569 1.00 0.00 N ATOM 833 CA TYR A 53 6.478 4.897 -1.626 1.00 0.00 C ATOM 834 C TYR A 53 6.036 5.395 -3.003 1.00 0.00 C ATOM 835 O TYR A 53 4.877 5.673 -3.228 1.00 0.00 O ATOM 836 CB TYR A 53 6.208 3.393 -1.527 1.00 0.00 C ATOM 837 CG TYR A 53 6.587 2.895 -0.152 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.698 3.046 0.918 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.826 2.275 0.051 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.048 2.579 2.191 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.177 1.809 1.323 1.00 0.00 C ATOM 842 CZ TYR A 53 7.288 1.961 2.393 1.00 0.00 C ATOM 843 OH TYR A 53 7.633 1.500 3.648 1.00 0.00 O ATOM 0 H TYR A 53 4.685 5.564 -0.673 1.00 0.00 H new ATOM 0 HA TYR A 53 7.542 5.086 -1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.155 3.190 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.780 2.861 -2.287 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.742 3.523 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.512 2.156 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.362 2.696 3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.133 1.332 1.479 1.00 0.00 H new ATOM 0 HH TYR A 53 8.526 1.097 3.614 1.00 0.00 H new ATOM 853 N CYS A 54 6.954 5.507 -3.928 1.00 0.00 N ATOM 854 CA CYS A 54 6.600 5.988 -5.299 1.00 0.00 C ATOM 855 C CYS A 54 6.454 4.788 -6.235 1.00 0.00 C ATOM 856 O CYS A 54 7.348 3.976 -6.356 1.00 0.00 O ATOM 857 CB CYS A 54 7.711 6.903 -5.817 1.00 0.00 C ATOM 858 SG CYS A 54 7.963 8.265 -4.652 1.00 0.00 S ATOM 0 H CYS A 54 7.940 5.285 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 54 5.660 6.539 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.635 6.338 -5.938 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.446 7.295 -6.799 1.00 0.00 H new ATOM 0 HG CYS A 54 8.909 9.042 -5.091 1.00 0.00 H new ATOM 864 N LEU A 55 5.336 4.669 -6.902 1.00 0.00 N ATOM 865 CA LEU A 55 5.141 3.517 -7.835 1.00 0.00 C ATOM 866 C LEU A 55 5.584 3.923 -9.240 1.00 0.00 C ATOM 867 O LEU A 55 5.451 5.064 -9.636 1.00 0.00 O ATOM 868 CB LEU A 55 3.658 3.106 -7.848 1.00 0.00 C ATOM 869 CG LEU A 55 2.751 4.320 -8.197 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.385 4.309 -9.689 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.454 4.258 -7.377 1.00 0.00 C ATOM 0 H LEU A 55 4.551 5.317 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 55 5.740 2.670 -7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.503 2.310 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.378 2.706 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 55 3.301 5.232 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.750 5.166 -9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.295 4.364 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.850 3.389 -9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.824 5.112 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.922 3.335 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.694 4.283 -6.314 1.00 0.00 H new ATOM 883 N ASN A 56 6.114 3.000 -9.994 1.00 0.00 N ATOM 884 CA ASN A 56 6.569 3.332 -11.375 1.00 0.00 C ATOM 885 C ASN A 56 7.611 4.452 -11.315 1.00 0.00 C ATOM 886 O ASN A 56 7.960 5.042 -12.319 1.00 0.00 O ATOM 887 CB ASN A 56 5.373 3.787 -12.216 1.00 0.00 C ATOM 888 CG ASN A 56 5.750 3.761 -13.699 1.00 0.00 C ATOM 889 OD1 ASN A 56 5.991 4.791 -14.296 1.00 0.00 O ATOM 890 ND2 ASN A 56 5.812 2.616 -14.323 1.00 0.00 N ATOM 0 H ASN A 56 6.252 2.029 -9.714 1.00 0.00 H new ATOM 0 HA ASN A 56 7.014 2.448 -11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.519 3.134 -12.036 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.072 4.793 -11.924 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.063 2.587 -15.311 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.610 1.751 -13.822 1.00 0.00 H new ATOM 897 N ASN A 57 8.113 4.743 -10.144 1.00 0.00 N ATOM 898 CA ASN A 57 9.143 5.815 -10.002 1.00 0.00 C ATOM 899 C ASN A 57 8.546 7.179 -10.376 1.00 0.00 C ATOM 900 O ASN A 57 9.183 7.980 -11.033 1.00 0.00 O ATOM 901 CB ASN A 57 10.341 5.506 -10.913 1.00 0.00 C ATOM 902 CG ASN A 57 11.577 6.261 -10.415 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.497 7.033 -9.480 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.726 6.070 -11.005 1.00 0.00 N ATOM 0 H ASN A 57 7.852 4.281 -9.273 1.00 0.00 H new ATOM 0 HA ASN A 57 9.476 5.849 -8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.537 4.434 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.114 5.796 -11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.555 6.568 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.795 5.422 -11.790 1.00 0.00 H new ATOM 911 N ASN A 58 7.334 7.451 -9.952 1.00 0.00 N ATOM 912 CA ASN A 58 6.684 8.764 -10.261 1.00 0.00 C ATOM 913 C ASN A 58 6.280 9.437 -8.938 1.00 0.00 C ATOM 914 O ASN A 58 5.201 9.200 -8.431 1.00 0.00 O ATOM 915 CB ASN A 58 5.433 8.513 -11.108 1.00 0.00 C ATOM 916 CG ASN A 58 5.751 7.487 -12.198 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.897 7.152 -12.416 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.776 6.975 -12.899 1.00 0.00 N ATOM 0 H ASN A 58 6.762 6.812 -9.399 1.00 0.00 H new ATOM 0 HA ASN A 58 7.372 9.408 -10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.621 8.150 -10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.094 9.445 -11.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.977 6.293 -13.630 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.813 7.257 -12.715 1.00 0.00 H new ATOM 925 N PRO A 59 7.137 10.258 -8.367 1.00 0.00 N ATOM 926 CA PRO A 59 6.851 10.954 -7.073 1.00 0.00 C ATOM 927 C PRO A 59 5.452 11.585 -7.028 1.00 0.00 C ATOM 928 O PRO A 59 5.029 12.103 -6.014 1.00 0.00 O ATOM 929 CB PRO A 59 7.940 12.030 -7.000 1.00 0.00 C ATOM 930 CG PRO A 59 9.090 11.450 -7.754 1.00 0.00 C ATOM 931 CD PRO A 59 8.474 10.618 -8.884 1.00 0.00 C ATOM 0 HA PRO A 59 6.861 10.261 -6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.604 12.966 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.212 12.249 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.732 12.236 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.710 10.830 -7.106 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.405 11.189 -9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.071 9.732 -9.100 1.00 0.00 H new ATOM 939 N THR A 60 4.733 11.540 -8.114 1.00 0.00 N ATOM 940 CA THR A 60 3.362 12.127 -8.136 1.00 0.00 C ATOM 941 C THR A 60 2.363 11.092 -7.607 1.00 0.00 C ATOM 942 O THR A 60 1.485 11.399 -6.827 1.00 0.00 O ATOM 943 CB THR A 60 2.996 12.497 -9.580 1.00 0.00 C ATOM 944 OG1 THR A 60 1.588 12.410 -9.746 1.00 0.00 O ATOM 945 CG2 THR A 60 3.688 11.532 -10.550 1.00 0.00 C ATOM 0 H THR A 60 5.036 11.120 -8.993 1.00 0.00 H new ATOM 0 HA THR A 60 3.331 13.019 -7.510 1.00 0.00 H new ATOM 0 HB THR A 60 3.325 13.515 -9.789 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.352 12.647 -10.667 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.427 11.796 -11.575 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.768 11.600 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.362 10.513 -10.344 1.00 0.00 H new ATOM 953 N GLN A 61 2.500 9.863 -8.031 1.00 0.00 N ATOM 954 CA GLN A 61 1.577 8.781 -7.570 1.00 0.00 C ATOM 955 C GLN A 61 2.201 8.062 -6.373 1.00 0.00 C ATOM 956 O GLN A 61 2.552 6.902 -6.455 1.00 0.00 O ATOM 957 CB GLN A 61 1.343 7.777 -8.707 1.00 0.00 C ATOM 958 CG GLN A 61 1.139 8.523 -10.030 1.00 0.00 C ATOM 959 CD GLN A 61 0.427 7.612 -11.035 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.407 6.812 -10.661 1.00 0.00 O ATOM 961 NE2 GLN A 61 0.723 7.701 -12.302 1.00 0.00 N ATOM 0 H GLN A 61 3.221 9.558 -8.685 1.00 0.00 H new ATOM 0 HA GLN A 61 0.622 9.219 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.195 7.102 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.469 7.163 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.550 9.425 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.101 8.840 -10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.423 8.373 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.254 7.099 -12.979 1.00 0.00 H new ATOM 970 N THR A 62 2.367 8.740 -5.266 1.00 0.00 N ATOM 971 CA THR A 62 2.999 8.087 -4.077 1.00 0.00 C ATOM 972 C THR A 62 1.913 7.538 -3.155 1.00 0.00 C ATOM 973 O THR A 62 0.842 8.097 -3.024 1.00 0.00 O ATOM 974 CB THR A 62 3.836 9.117 -3.312 1.00 0.00 C ATOM 975 OG1 THR A 62 3.005 9.802 -2.384 1.00 0.00 O ATOM 976 CG2 THR A 62 4.438 10.119 -4.295 1.00 0.00 C ATOM 0 H THR A 62 2.094 9.714 -5.133 1.00 0.00 H new ATOM 0 HA THR A 62 3.639 7.271 -4.413 1.00 0.00 H new ATOM 0 HB THR A 62 4.639 8.610 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.538 10.461 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.033 10.851 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.074 9.593 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.637 10.629 -4.831 1.00 0.00 H new ATOM 984 N LEU A 63 2.186 6.420 -2.536 1.00 0.00 N ATOM 985 CA LEU A 63 1.188 5.772 -1.633 1.00 0.00 C ATOM 986 C LEU A 63 1.552 6.055 -0.167 1.00 0.00 C ATOM 987 O LEU A 63 2.705 6.011 0.213 1.00 0.00 O ATOM 988 CB LEU A 63 1.227 4.257 -1.915 1.00 0.00 C ATOM 989 CG LEU A 63 -0.151 3.608 -1.709 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.176 4.158 -2.728 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.001 2.091 -1.889 1.00 0.00 C ATOM 0 H LEU A 63 3.071 5.921 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 63 0.187 6.165 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.562 4.085 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.955 3.782 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.517 3.839 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.144 3.684 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.273 5.236 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.834 3.942 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.966 1.609 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.368 1.879 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.709 1.707 -1.155 1.00 0.00 H new ATOM 1003 N LYS A 64 0.572 6.345 0.658 1.00 0.00 N ATOM 1004 CA LYS A 64 0.844 6.632 2.102 1.00 0.00 C ATOM 1005 C LYS A 64 0.402 5.439 2.952 1.00 0.00 C ATOM 1006 O LYS A 64 -0.709 4.963 2.837 1.00 0.00 O ATOM 1007 CB LYS A 64 0.054 7.872 2.522 1.00 0.00 C ATOM 1008 CG LYS A 64 0.516 8.332 3.906 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.481 9.351 4.461 1.00 0.00 C ATOM 1010 CE LYS A 64 0.009 9.862 5.816 1.00 0.00 C ATOM 1011 NZ LYS A 64 -0.747 11.092 6.186 1.00 0.00 N ATOM 0 H LYS A 64 -0.411 6.395 0.390 1.00 0.00 H new ATOM 0 HA LYS A 64 1.910 6.805 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.199 8.671 1.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.012 7.647 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.592 7.478 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.509 8.776 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.591 10.183 3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.464 8.892 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.129 9.095 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.076 10.078 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.414 11.440 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.594 11.824 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.762 10.871 6.245 1.00 0.00 H new ATOM 1025 N ILE A 65 1.264 4.949 3.806 1.00 0.00 N ATOM 1026 CA ILE A 65 0.886 3.786 4.664 1.00 0.00 C ATOM 1027 C ILE A 65 0.167 4.283 5.918 1.00 0.00 C ATOM 1028 O ILE A 65 0.516 5.301 6.483 1.00 0.00 O ATOM 1029 CB ILE A 65 2.142 3.016 5.083 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.181 3.989 5.650 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.730 2.292 3.873 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.384 3.205 6.184 1.00 0.00 C ATOM 0 H ILE A 65 2.210 5.303 3.946 1.00 0.00 H new ATOM 0 HA ILE A 65 0.227 3.129 4.096 1.00 0.00 H new ATOM 0 HB ILE A 65 1.875 2.286 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.503 4.685 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.739 4.584 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.623 1.745 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.994 1.593 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.992 3.020 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.121 3.900 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.056 2.527 6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.832 2.630 5.374 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.830 3.562 6.362 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.581 3.966 7.591 1.00 0.00 C ATOM 1046 C ARG A 66 -1.180 3.036 8.737 1.00 0.00 C ATOM 1047 O ARG A 66 -1.128 3.432 9.884 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.084 3.837 7.334 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.858 4.423 8.517 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.352 4.154 8.333 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.098 4.672 9.514 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.390 4.505 9.594 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.028 3.884 8.641 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.043 4.960 10.628 1.00 0.00 N ATOM 0 H ARG A 66 -1.160 2.703 5.922 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.347 4.999 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.353 4.359 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.351 2.789 7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.510 3.978 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.677 5.495 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.710 4.636 7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.529 3.085 8.218 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.599 5.157 10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.517 3.529 7.833 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.038 3.754 8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.544 5.446 11.373 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.053 4.830 10.691 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.890 1.800 8.427 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.485 0.833 9.487 1.00 0.00 C ATOM 1070 C ASN A 67 -0.074 -0.489 8.832 1.00 0.00 C ATOM 1071 O ASN A 67 -0.909 -1.262 8.405 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.664 0.587 10.434 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.299 -0.514 11.431 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.656 -1.661 11.245 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -0.598 -0.213 12.490 1.00 0.00 N ATOM 0 H ASN A 67 -0.917 1.418 7.482 1.00 0.00 H new ATOM 0 HA ASN A 67 0.354 1.240 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.914 1.505 10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.547 0.298 9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.350 -0.940 13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.298 0.749 12.647 1.00 0.00 H new ATOM 1082 N ALA A 68 1.206 -0.751 8.744 1.00 0.00 N ATOM 1083 CA ALA A 68 1.673 -2.022 8.114 1.00 0.00 C ATOM 1084 C ALA A 68 1.662 -3.151 9.148 1.00 0.00 C ATOM 1085 O ALA A 68 1.751 -2.918 10.337 1.00 0.00 O ATOM 1086 CB ALA A 68 3.097 -1.841 7.585 1.00 0.00 C ATOM 0 H ALA A 68 1.948 -0.138 9.082 1.00 0.00 H new ATOM 0 HA ALA A 68 1.004 -2.276 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.435 -2.770 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.111 -1.043 6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.761 -1.581 8.409 1.00 0.00 H new ATOM 1092 N THR A 69 1.558 -4.377 8.698 1.00 0.00 N ATOM 1093 CA THR A 69 1.545 -5.540 9.639 1.00 0.00 C ATOM 1094 C THR A 69 2.417 -6.660 9.065 1.00 0.00 C ATOM 1095 O THR A 69 2.659 -6.722 7.876 1.00 0.00 O ATOM 1096 CB THR A 69 0.110 -6.046 9.806 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.218 -6.896 8.717 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.853 -4.859 9.837 1.00 0.00 C ATOM 0 H THR A 69 1.481 -4.624 7.711 1.00 0.00 H new ATOM 0 HA THR A 69 1.934 -5.231 10.609 1.00 0.00 H new ATOM 0 HB THR A 69 0.026 -6.601 10.740 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.069 -7.347 8.899 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.874 -5.222 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.600 -4.207 10.673 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.773 -4.301 8.904 1.00 0.00 H new ATOM 1106 N HIS A 70 2.896 -7.542 9.900 1.00 0.00 N ATOM 1107 CA HIS A 70 3.757 -8.653 9.402 1.00 0.00 C ATOM 1108 C HIS A 70 2.881 -9.785 8.859 1.00 0.00 C ATOM 1109 O HIS A 70 3.136 -10.949 9.099 1.00 0.00 O ATOM 1110 CB HIS A 70 4.618 -9.184 10.550 1.00 0.00 C ATOM 1111 CG HIS A 70 5.502 -8.082 11.065 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.551 -7.564 10.316 1.00 0.00 N ATOM 1113 CD2 HIS A 70 5.510 -7.389 12.251 1.00 0.00 C ATOM 1114 CE1 HIS A 70 7.139 -6.602 11.053 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.542 -6.458 12.238 1.00 0.00 N ATOM 0 H HIS A 70 2.728 -7.541 10.906 1.00 0.00 H new ATOM 0 HA HIS A 70 4.399 -8.280 8.604 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.982 -9.560 11.352 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.225 -10.021 10.206 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.821 -7.544 13.068 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.988 -6.020 10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.791 -5.802 12.979 1.00 0.00 H new ATOM 1124 N TYR A 71 1.852 -9.456 8.126 1.00 0.00 N ATOM 1125 CA TYR A 71 0.966 -10.517 7.567 1.00 0.00 C ATOM 1126 C TYR A 71 0.594 -11.510 8.673 1.00 0.00 C ATOM 1127 O TYR A 71 0.836 -12.695 8.564 1.00 0.00 O ATOM 1128 CB TYR A 71 1.699 -11.249 6.439 1.00 0.00 C ATOM 1129 CG TYR A 71 0.866 -12.420 5.962 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.334 -12.193 5.278 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.295 -13.733 6.204 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.105 -13.276 4.836 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.524 -14.815 5.762 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.676 -14.586 5.079 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.436 -15.652 4.642 1.00 0.00 O ATOM 0 H TYR A 71 1.587 -8.500 7.890 1.00 0.00 H new ATOM 0 HA TYR A 71 0.057 -10.063 7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.889 -10.565 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.669 -11.600 6.791 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.666 -11.182 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.221 -13.910 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.030 -13.100 4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.855 -15.826 5.948 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.996 -16.491 4.891 1.00 0.00 H new ATOM 1145 N SER A 72 0.008 -11.035 9.739 1.00 0.00 N ATOM 1146 CA SER A 72 -0.381 -11.950 10.851 1.00 0.00 C ATOM 1147 C SER A 72 -1.770 -12.527 10.567 1.00 0.00 C ATOM 1148 O SER A 72 -2.676 -11.823 10.170 1.00 0.00 O ATOM 1149 CB SER A 72 -0.411 -11.167 12.165 1.00 0.00 C ATOM 1150 OG SER A 72 0.922 -10.919 12.593 1.00 0.00 O ATOM 0 H SER A 72 -0.218 -10.052 9.888 1.00 0.00 H new ATOM 0 HA SER A 72 0.342 -12.762 10.929 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.943 -10.225 12.029 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.951 -11.731 12.926 1.00 0.00 H new ATOM 0 HG SER A 72 0.907 -10.416 13.434 1.00 0.00 H new ATOM 1156 N SER A 73 -1.944 -13.805 10.768 1.00 0.00 N ATOM 1157 CA SER A 73 -3.272 -14.427 10.506 1.00 0.00 C ATOM 1158 C SER A 73 -4.344 -13.714 11.334 1.00 0.00 C ATOM 1159 O SER A 73 -5.519 -13.776 11.030 1.00 0.00 O ATOM 1160 CB SER A 73 -3.227 -15.905 10.895 1.00 0.00 C ATOM 1161 OG SER A 73 -2.133 -16.529 10.238 1.00 0.00 O ATOM 0 H SER A 73 -1.223 -14.445 11.102 1.00 0.00 H new ATOM 0 HA SER A 73 -3.513 -14.336 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.123 -16.006 11.975 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.160 -16.395 10.618 1.00 0.00 H new ATOM 0 HG SER A 73 -2.100 -17.476 10.486 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.951 -13.039 12.379 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.951 -12.327 13.224 1.00 0.00 C ATOM 1169 C GLU A 74 -5.364 -11.021 12.539 1.00 0.00 C ATOM 1170 O GLU A 74 -6.515 -10.634 12.562 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.333 -12.014 14.589 1.00 0.00 C ATOM 1172 CG GLU A 74 -4.254 -13.296 15.420 1.00 0.00 C ATOM 1173 CD GLU A 74 -3.730 -12.967 16.819 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.566 -12.621 16.928 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -4.504 -13.066 17.757 1.00 0.00 O ATOM 0 H GLU A 74 -2.982 -12.950 12.684 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.829 -12.959 13.358 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.337 -11.590 14.460 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.933 -11.267 15.109 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.239 -13.759 15.489 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.596 -14.017 14.934 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.432 -10.339 11.933 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.770 -9.057 11.251 1.00 0.00 C ATOM 1184 C ARG A 75 -5.615 -9.346 10.008 1.00 0.00 C ATOM 1185 O ARG A 75 -6.668 -8.771 9.817 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.477 -8.345 10.836 1.00 0.00 C ATOM 1187 CG ARG A 75 -2.607 -8.068 12.075 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.065 -6.781 12.771 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.129 -6.461 13.885 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.289 -5.368 14.579 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.269 -4.554 14.297 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -1.469 -5.089 15.555 1.00 0.00 N ATOM 0 H ARG A 75 -3.451 -10.613 11.880 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.334 -8.420 11.932 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.926 -8.960 10.125 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.714 -7.408 10.331 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.672 -8.907 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.561 -7.978 11.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.092 -5.958 12.057 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.078 -6.903 13.156 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.363 -7.097 14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.910 -4.772 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.394 -3.699 14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.703 -5.725 15.775 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.594 -4.234 16.098 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.165 -10.229 9.160 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.946 -10.549 7.932 1.00 0.00 C ATOM 1208 C TRP A 76 -7.354 -11.003 8.327 1.00 0.00 C ATOM 1209 O TRP A 76 -8.319 -10.730 7.642 1.00 0.00 O ATOM 1210 CB TRP A 76 -5.244 -11.669 7.159 1.00 0.00 C ATOM 1211 CG TRP A 76 -6.086 -12.084 5.994 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -6.652 -13.303 5.842 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -6.466 -11.307 4.820 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -7.355 -13.324 4.650 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -7.270 -12.118 3.985 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -6.194 -9.991 4.404 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -7.786 -11.641 2.780 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.712 -9.508 3.191 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -7.506 -10.331 2.380 1.00 0.00 C ATOM 0 H TRP A 76 -4.290 -10.743 9.264 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.015 -9.662 7.302 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.269 -11.328 6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.068 -12.522 7.815 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -6.569 -14.125 6.537 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -7.873 -14.132 4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.583 -9.348 5.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -8.398 -12.280 2.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.497 -8.496 2.881 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.901 -9.954 1.448 1.00 0.00 H new