USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 601 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0444) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 16 ASN : amide:sc= -1.87 K(o=-1.9,f=-4.7!) USER MOD Single : A 19 ASN : amide:sc= -0.0835 X(o=-0.084,f=-0.12) USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.989 USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.14) USER MOD Single : A 28 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.11) USER MOD Single : A 30 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00242 K(o=-0.0024,f=-0.76) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00524 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.131) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 60 TYR OH : rot -14:sc= 0.0962 USER MOD Single : A 63 SER OG : rot 64:sc= 0.374 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= -0.131 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.622 -7.879 -1.873 1.00 0.00 N ATOM 2 CA MET A 1 15.234 -7.702 -1.463 1.00 0.00 C ATOM 3 C MET A 1 14.594 -6.532 -2.203 1.00 0.00 C ATOM 4 O MET A 1 14.875 -5.371 -1.908 1.00 0.00 O ATOM 5 CB MET A 1 15.150 -7.473 0.047 1.00 0.00 C ATOM 6 CG MET A 1 15.674 -8.640 0.868 1.00 0.00 C ATOM 7 SD MET A 1 14.874 -8.771 2.479 1.00 0.00 S ATOM 8 CE MET A 1 15.635 -10.262 3.115 1.00 0.00 C ATOM 0 H1 MET A 1 16.986 -8.775 -1.490 1.00 0.00 H new ATOM 0 H2 MET A 1 16.677 -7.899 -2.911 1.00 0.00 H new ATOM 0 H3 MET A 1 17.194 -7.090 -1.511 1.00 0.00 H new ATOM 0 HA MET A 1 14.688 -8.611 -1.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.715 -6.577 0.302 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.112 -7.284 0.320 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.521 -9.566 0.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.749 -8.527 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.241 -10.476 4.109 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.413 -11.096 2.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.714 -10.123 3.175 1.00 0.00 H new ATOM 18 N ALA A 2 13.732 -6.845 -3.165 1.00 0.00 N ATOM 19 CA ALA A 2 13.051 -5.819 -3.945 1.00 0.00 C ATOM 20 C ALA A 2 12.191 -4.931 -3.052 1.00 0.00 C ATOM 21 O ALA A 2 11.947 -3.766 -3.367 1.00 0.00 O ATOM 22 CB ALA A 2 12.200 -6.460 -5.032 1.00 0.00 C ATOM 0 H ALA A 2 13.489 -7.801 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 2 13.809 -5.192 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.697 -5.682 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.837 -7.046 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.456 -7.111 -4.574 1.00 0.00 H new ATOM 28 N LYS A 3 11.733 -5.489 -1.936 1.00 0.00 N ATOM 29 CA LYS A 3 10.901 -4.748 -0.996 1.00 0.00 C ATOM 30 C LYS A 3 11.573 -3.441 -0.586 1.00 0.00 C ATOM 31 O LYS A 3 12.517 -3.439 0.204 1.00 0.00 O ATOM 32 CB LYS A 3 10.616 -5.598 0.244 1.00 0.00 C ATOM 33 CG LYS A 3 10.022 -6.959 -0.074 1.00 0.00 C ATOM 34 CD LYS A 3 9.571 -7.680 1.185 1.00 0.00 C ATOM 35 CE LYS A 3 9.526 -9.186 0.979 1.00 0.00 C ATOM 36 NZ LYS A 3 9.312 -9.915 2.261 1.00 0.00 N ATOM 0 H LYS A 3 11.924 -6.452 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 3 9.959 -4.511 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.543 -5.737 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.931 -5.056 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.174 -6.838 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.761 -7.566 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.250 -7.444 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.584 -7.322 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.725 -9.434 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.459 -9.518 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.287 -10.939 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.089 -9.699 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.410 -9.617 2.683 1.00 0.00 H new ATOM 50 N ASP A 4 11.079 -2.333 -1.128 1.00 0.00 N ATOM 51 CA ASP A 4 11.631 -1.019 -0.816 1.00 0.00 C ATOM 52 C ASP A 4 10.858 -0.362 0.323 1.00 0.00 C ATOM 53 O ASP A 4 9.758 0.153 0.124 1.00 0.00 O ATOM 54 CB ASP A 4 11.599 -0.123 -2.055 1.00 0.00 C ATOM 55 CG ASP A 4 12.860 -0.241 -2.888 1.00 0.00 C ATOM 56 OD1 ASP A 4 13.288 -1.384 -3.158 1.00 0.00 O ATOM 57 OD2 ASP A 4 13.419 0.807 -3.270 1.00 0.00 O ATOM 0 H ASP A 4 10.299 -2.318 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 4 12.666 -1.151 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.737 -0.386 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.467 0.914 -1.746 1.00 0.00 H new ATOM 62 N ASP A 5 11.441 -0.384 1.516 1.00 0.00 N ATOM 63 CA ASP A 5 10.807 0.210 2.688 1.00 0.00 C ATOM 64 C ASP A 5 11.315 1.630 2.919 1.00 0.00 C ATOM 65 O ASP A 5 11.634 2.010 4.046 1.00 0.00 O ATOM 66 CB ASP A 5 11.071 -0.647 3.927 1.00 0.00 C ATOM 67 CG ASP A 5 10.140 -1.841 4.013 1.00 0.00 C ATOM 68 OD1 ASP A 5 8.955 -1.646 4.354 1.00 0.00 O ATOM 69 OD2 ASP A 5 10.598 -2.971 3.740 1.00 0.00 O ATOM 0 H ASP A 5 12.351 -0.807 1.698 1.00 0.00 H new ATOM 0 HA ASP A 5 9.733 0.252 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 5 12.104 -0.995 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.955 -0.034 4.821 1.00 0.00 H new ATOM 74 N VAL A 6 11.388 2.409 1.845 1.00 0.00 N ATOM 75 CA VAL A 6 11.857 3.787 1.931 1.00 0.00 C ATOM 76 C VAL A 6 10.838 4.672 2.640 1.00 0.00 C ATOM 77 O VAL A 6 9.639 4.591 2.372 1.00 0.00 O ATOM 78 CB VAL A 6 12.144 4.370 0.534 1.00 0.00 C ATOM 79 CG1 VAL A 6 13.168 3.519 -0.201 1.00 0.00 C ATOM 80 CG2 VAL A 6 10.857 4.483 -0.270 1.00 0.00 C ATOM 0 H VAL A 6 11.128 2.110 0.905 1.00 0.00 H new ATOM 0 HA VAL A 6 12.782 3.771 2.507 1.00 0.00 H new ATOM 0 HB VAL A 6 12.559 5.370 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.357 3.947 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.097 3.494 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.785 2.505 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.078 4.897 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.411 3.495 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.159 5.139 0.251 1.00 0.00 H new ATOM 90 N ILE A 7 11.323 5.515 3.544 1.00 0.00 N ATOM 91 CA ILE A 7 10.454 6.417 4.291 1.00 0.00 C ATOM 92 C ILE A 7 11.140 7.754 4.548 1.00 0.00 C ATOM 93 O ILE A 7 12.283 7.798 5.002 1.00 0.00 O ATOM 94 CB ILE A 7 10.029 5.802 5.637 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.258 5.523 6.505 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.233 4.526 5.410 1.00 0.00 C ATOM 97 CD1 ILE A 7 11.510 6.583 7.554 1.00 0.00 C ATOM 0 H ILE A 7 12.313 5.593 3.778 1.00 0.00 H new ATOM 0 HA ILE A 7 9.567 6.579 3.679 1.00 0.00 H new ATOM 0 HB ILE A 7 9.392 6.515 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.134 4.558 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.135 5.443 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.940 4.104 6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.341 4.753 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.847 3.806 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.396 6.320 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.666 7.546 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.649 6.648 8.220 1.00 0.00 H new ATOM 109 N GLN A 8 10.433 8.841 4.257 1.00 0.00 N ATOM 110 CA GLN A 8 10.974 10.180 4.459 1.00 0.00 C ATOM 111 C GLN A 8 10.859 10.599 5.921 1.00 0.00 C ATOM 112 O GLN A 8 9.768 10.603 6.491 1.00 0.00 O ATOM 113 CB GLN A 8 10.245 11.187 3.568 1.00 0.00 C ATOM 114 CG GLN A 8 10.311 10.849 2.088 1.00 0.00 C ATOM 115 CD GLN A 8 9.109 11.361 1.318 1.00 0.00 C ATOM 116 OE1 GLN A 8 8.150 10.627 1.082 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.156 12.628 0.922 1.00 0.00 N ATOM 0 H GLN A 8 9.485 8.821 3.881 1.00 0.00 H new ATOM 0 HA GLN A 8 12.029 10.163 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.200 11.240 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.674 12.176 3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.219 11.275 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.380 9.768 1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.972 13.200 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.376 13.028 0.400 1.00 0.00 H new ATOM 126 N MET A 9 11.990 10.951 6.522 1.00 0.00 N ATOM 127 CA MET A 9 12.015 11.373 7.917 1.00 0.00 C ATOM 128 C MET A 9 12.283 12.871 8.028 1.00 0.00 C ATOM 129 O MET A 9 12.937 13.458 7.167 1.00 0.00 O ATOM 130 CB MET A 9 13.082 10.594 8.689 1.00 0.00 C ATOM 131 CG MET A 9 12.563 9.310 9.315 1.00 0.00 C ATOM 132 SD MET A 9 11.897 9.564 10.971 1.00 0.00 S ATOM 133 CE MET A 9 10.480 8.469 10.937 1.00 0.00 C ATOM 0 H MET A 9 12.902 10.952 6.065 1.00 0.00 H new ATOM 0 HA MET A 9 11.037 11.164 8.351 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.904 10.353 8.014 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.490 11.232 9.473 1.00 0.00 H new ATOM 0 HG2 MET A 9 11.787 8.887 8.677 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.371 8.580 9.361 1.00 0.00 H new ATOM 0 HE1 MET A 9 9.962 8.515 11.895 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.801 8.777 10.142 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.814 7.448 10.753 1.00 0.00 H new ATOM 143 N GLN A 10 11.772 13.482 9.093 1.00 0.00 N ATOM 144 CA GLN A 10 11.956 14.911 9.314 1.00 0.00 C ATOM 145 C GLN A 10 12.891 15.164 10.492 1.00 0.00 C ATOM 146 O GLN A 10 12.537 14.913 11.643 1.00 0.00 O ATOM 147 CB GLN A 10 10.607 15.588 9.564 1.00 0.00 C ATOM 148 CG GLN A 10 10.057 16.315 8.348 1.00 0.00 C ATOM 149 CD GLN A 10 8.961 15.536 7.647 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.858 16.043 7.441 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.260 14.296 7.278 1.00 0.00 N ATOM 0 H GLN A 10 11.228 13.010 9.815 1.00 0.00 H new ATOM 0 HA GLN A 10 12.407 15.336 8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.886 14.836 9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.713 16.298 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.668 17.286 8.655 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.868 16.505 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.187 13.917 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.562 13.723 6.803 1.00 0.00 H new ATOM 160 N GLY A 11 14.088 15.661 10.196 1.00 0.00 N ATOM 161 CA GLY A 11 15.055 15.939 11.241 1.00 0.00 C ATOM 162 C GLY A 11 15.636 17.336 11.138 1.00 0.00 C ATOM 163 O GLY A 11 15.278 18.098 10.241 1.00 0.00 O ATOM 0 H GLY A 11 14.405 15.876 9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.579 15.818 12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.862 15.208 11.188 1.00 0.00 H new ATOM 167 N GLU A 12 16.532 17.672 12.061 1.00 0.00 N ATOM 168 CA GLU A 12 17.160 18.988 12.070 1.00 0.00 C ATOM 169 C GLU A 12 18.671 18.871 11.892 1.00 0.00 C ATOM 170 O GLU A 12 19.304 17.969 12.440 1.00 0.00 O ATOM 171 CB GLU A 12 16.845 19.718 13.378 1.00 0.00 C ATOM 172 CG GLU A 12 17.538 21.065 13.505 1.00 0.00 C ATOM 173 CD GLU A 12 17.329 21.703 14.864 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.089 21.374 15.798 1.00 0.00 O ATOM 175 OE2 GLU A 12 16.403 22.531 14.994 1.00 0.00 O ATOM 0 H GLU A 12 16.839 17.052 12.811 1.00 0.00 H new ATOM 0 HA GLU A 12 16.756 19.561 11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.767 19.865 13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.139 19.087 14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 12 18.606 20.938 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.164 21.736 12.732 1.00 0.00 H new ATOM 182 N VAL A 13 19.242 19.790 11.120 1.00 0.00 N ATOM 183 CA VAL A 13 20.679 19.791 10.868 1.00 0.00 C ATOM 184 C VAL A 13 21.462 20.016 12.156 1.00 0.00 C ATOM 185 O VAL A 13 21.105 20.867 12.971 1.00 0.00 O ATOM 186 CB VAL A 13 21.069 20.877 9.847 1.00 0.00 C ATOM 187 CG1 VAL A 13 22.573 20.884 9.624 1.00 0.00 C ATOM 188 CG2 VAL A 13 20.328 20.665 8.536 1.00 0.00 C ATOM 0 H VAL A 13 18.732 20.543 10.658 1.00 0.00 H new ATOM 0 HA VAL A 13 20.930 18.812 10.460 1.00 0.00 H new ATOM 0 HB VAL A 13 20.781 21.849 10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.830 21.657 8.900 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.080 21.087 10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.889 19.912 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 13 20.615 21.441 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.583 19.687 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.254 20.715 8.713 1.00 0.00 H new ATOM 198 N ILE A 14 22.531 19.247 12.334 1.00 0.00 N ATOM 199 CA ILE A 14 23.366 19.363 13.523 1.00 0.00 C ATOM 200 C ILE A 14 24.794 19.753 13.155 1.00 0.00 C ATOM 201 O ILE A 14 25.486 20.414 13.929 1.00 0.00 O ATOM 202 CB ILE A 14 23.395 18.047 14.322 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.182 18.230 15.621 1.00 0.00 C ATOM 204 CG2 ILE A 14 23.999 16.931 13.483 1.00 0.00 C ATOM 205 CD1 ILE A 14 24.039 17.072 16.583 1.00 0.00 C ATOM 0 H ILE A 14 22.839 18.537 11.670 1.00 0.00 H new ATOM 0 HA ILE A 14 22.926 20.144 14.143 1.00 0.00 H new ATOM 0 HB ILE A 14 22.371 17.771 14.576 1.00 0.00 H new ATOM 0 HG12 ILE A 14 25.237 18.364 15.381 1.00 0.00 H new ATOM 0 HG13 ILE A 14 23.848 19.144 16.113 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.013 16.007 14.062 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.400 16.787 12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.018 17.198 13.202 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.624 17.271 17.481 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.990 16.950 16.853 1.00 0.00 H new ATOM 0 HD13 ILE A 14 24.400 16.159 16.110 1.00 0.00 H new ATOM 217 N GLU A 15 25.229 19.339 11.969 1.00 0.00 N ATOM 218 CA GLU A 15 26.574 19.645 11.499 1.00 0.00 C ATOM 219 C GLU A 15 26.560 20.039 10.025 1.00 0.00 C ATOM 220 O GLU A 15 25.634 19.698 9.290 1.00 0.00 O ATOM 221 CB GLU A 15 27.498 18.443 11.708 1.00 0.00 C ATOM 222 CG GLU A 15 28.249 18.475 13.028 1.00 0.00 C ATOM 223 CD GLU A 15 29.105 17.242 13.243 1.00 0.00 C ATOM 224 OE1 GLU A 15 28.532 16.143 13.397 1.00 0.00 O ATOM 225 OE2 GLU A 15 30.346 17.375 13.256 1.00 0.00 O ATOM 0 H GLU A 15 24.669 18.791 11.316 1.00 0.00 H new ATOM 0 HA GLU A 15 26.950 20.488 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.907 17.528 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.218 18.403 10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.882 19.362 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.534 18.564 13.846 1.00 0.00 H new ATOM 232 N ASN A 16 27.592 20.761 9.601 1.00 0.00 N ATOM 233 CA ASN A 16 27.698 21.203 8.215 1.00 0.00 C ATOM 234 C ASN A 16 29.133 21.081 7.714 1.00 0.00 C ATOM 235 O ASN A 16 30.040 21.740 8.226 1.00 0.00 O ATOM 236 CB ASN A 16 27.220 22.650 8.082 1.00 0.00 C ATOM 237 CG ASN A 16 27.696 23.300 6.797 1.00 0.00 C ATOM 238 OD1 ASN A 16 27.846 22.636 5.771 1.00 0.00 O ATOM 239 ND2 ASN A 16 27.936 24.605 6.847 1.00 0.00 N ATOM 0 H ASN A 16 28.367 21.052 10.197 1.00 0.00 H new ATOM 0 HA ASN A 16 27.063 20.560 7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 16 26.131 22.675 8.117 1.00 0.00 H new ATOM 0 HB3 ASN A 16 27.579 23.228 8.933 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.258 25.097 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 16 27.798 25.116 7.719 1.00 0.00 H new ATOM 246 N LEU A 17 29.333 20.236 6.708 1.00 0.00 N ATOM 247 CA LEU A 17 30.659 20.028 6.136 1.00 0.00 C ATOM 248 C LEU A 17 30.631 20.201 4.621 1.00 0.00 C ATOM 249 O LEU A 17 29.580 20.128 3.982 1.00 0.00 O ATOM 250 CB LEU A 17 31.176 18.633 6.492 1.00 0.00 C ATOM 251 CG LEU A 17 31.980 18.526 7.789 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.049 18.378 8.983 1.00 0.00 C ATOM 253 CD2 LEU A 17 32.951 17.357 7.719 1.00 0.00 C ATOM 0 H LEU A 17 28.594 19.684 6.272 1.00 0.00 H new ATOM 0 HA LEU A 17 31.331 20.776 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.323 17.958 6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.799 18.278 5.671 1.00 0.00 H new ATOM 0 HG LEU A 17 32.555 19.443 7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.638 18.303 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.394 19.247 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.447 17.477 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 33.515 17.296 8.650 1.00 0.00 H new ATOM 0 HD22 LEU A 17 32.396 16.431 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.640 17.505 6.887 1.00 0.00 H new ATOM 265 N PRO A 18 31.812 20.432 4.029 1.00 0.00 N ATOM 266 CA PRO A 18 31.950 20.617 2.582 1.00 0.00 C ATOM 267 C PRO A 18 31.704 19.328 1.806 1.00 0.00 C ATOM 268 O PRO A 18 31.269 18.326 2.372 1.00 0.00 O ATOM 269 CB PRO A 18 33.403 21.071 2.419 1.00 0.00 C ATOM 270 CG PRO A 18 34.108 20.517 3.609 1.00 0.00 C ATOM 271 CD PRO A 18 33.104 20.531 4.728 1.00 0.00 C ATOM 0 HA PRO A 18 31.221 21.327 2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 18 33.834 20.693 1.492 1.00 0.00 H new ATOM 0 HB3 PRO A 18 33.477 22.158 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 18 34.463 19.505 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 18 34.981 21.119 3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.255 19.697 5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 18 33.173 21.445 5.318 1.00 0.00 H new ATOM 279 N ASN A 19 31.987 19.360 0.508 1.00 0.00 N ATOM 280 CA ASN A 19 31.796 18.193 -0.345 1.00 0.00 C ATOM 281 C ASN A 19 30.324 17.794 -0.401 1.00 0.00 C ATOM 282 O ASN A 19 29.994 16.617 -0.539 1.00 0.00 O ATOM 283 CB ASN A 19 32.635 17.019 0.166 1.00 0.00 C ATOM 284 CG ASN A 19 34.031 17.443 0.579 1.00 0.00 C ATOM 285 OD1 ASN A 19 34.373 17.426 1.761 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.845 17.826 -0.398 1.00 0.00 N ATOM 0 H ASN A 19 32.349 20.181 0.024 1.00 0.00 H new ATOM 0 HA ASN A 19 32.122 18.453 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 19 32.131 16.559 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 19 32.704 16.259 -0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.797 18.122 -0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 19 34.518 17.824 -1.364 1.00 0.00 H new ATOM 293 N ALA A 20 29.445 18.785 -0.293 1.00 0.00 N ATOM 294 CA ALA A 20 28.008 18.538 -0.334 1.00 0.00 C ATOM 295 C ALA A 20 27.594 17.530 0.732 1.00 0.00 C ATOM 296 O ALA A 20 26.742 16.673 0.494 1.00 0.00 O ATOM 297 CB ALA A 20 27.596 18.049 -1.715 1.00 0.00 C ATOM 0 H ALA A 20 29.702 19.765 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 20 27.496 19.478 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 20 26.521 17.869 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.849 18.805 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.123 17.123 -1.945 1.00 0.00 H new ATOM 303 N THR A 21 28.202 17.637 1.910 1.00 0.00 N ATOM 304 CA THR A 21 27.897 16.734 3.012 1.00 0.00 C ATOM 305 C THR A 21 27.139 17.455 4.120 1.00 0.00 C ATOM 306 O THR A 21 27.423 18.612 4.430 1.00 0.00 O ATOM 307 CB THR A 21 29.178 16.114 3.601 1.00 0.00 C ATOM 308 OG1 THR A 21 29.942 17.119 4.277 1.00 0.00 O ATOM 309 CG2 THR A 21 30.023 15.477 2.508 1.00 0.00 C ATOM 0 H THR A 21 28.909 18.341 2.125 1.00 0.00 H new ATOM 0 HA THR A 21 27.271 15.939 2.606 1.00 0.00 H new ATOM 0 HB THR A 21 28.887 15.340 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.308 17.748 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.922 15.046 2.948 1.00 0.00 H new ATOM 0 HG22 THR A 21 29.449 14.693 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 21 30.304 16.235 1.777 1.00 0.00 H new ATOM 317 N PHE A 22 26.172 16.764 4.716 1.00 0.00 N ATOM 318 CA PHE A 22 25.372 17.339 5.791 1.00 0.00 C ATOM 319 C PHE A 22 24.803 16.246 6.691 1.00 0.00 C ATOM 320 O PHE A 22 24.548 15.128 6.242 1.00 0.00 O ATOM 321 CB PHE A 22 24.234 18.183 5.213 1.00 0.00 C ATOM 322 CG PHE A 22 24.643 19.588 4.872 1.00 0.00 C ATOM 323 CD1 PHE A 22 24.686 20.568 5.850 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.984 19.928 3.573 1.00 0.00 C ATOM 325 CE1 PHE A 22 25.061 21.861 5.538 1.00 0.00 C ATOM 326 CE2 PHE A 22 25.361 21.219 3.255 1.00 0.00 C ATOM 327 CZ PHE A 22 25.400 22.187 4.240 1.00 0.00 C ATOM 0 H PHE A 22 25.924 15.805 4.472 1.00 0.00 H new ATOM 0 HA PHE A 22 26.021 17.977 6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 22 23.851 17.697 4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.415 18.216 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.424 20.319 6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.955 19.175 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.089 22.616 6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.625 21.471 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 22 25.695 23.197 3.995 1.00 0.00 H new ATOM 337 N ARG A 23 24.608 16.577 7.963 1.00 0.00 N ATOM 338 CA ARG A 23 24.072 15.624 8.927 1.00 0.00 C ATOM 339 C ARG A 23 22.873 16.213 9.664 1.00 0.00 C ATOM 340 O ARG A 23 22.883 17.380 10.055 1.00 0.00 O ATOM 341 CB ARG A 23 25.153 15.219 9.931 1.00 0.00 C ATOM 342 CG ARG A 23 25.899 13.952 9.544 1.00 0.00 C ATOM 343 CD ARG A 23 26.772 13.451 10.684 1.00 0.00 C ATOM 344 NE ARG A 23 27.771 12.489 10.225 1.00 0.00 N ATOM 345 CZ ARG A 23 28.392 11.634 11.030 1.00 0.00 C ATOM 346 NH1 ARG A 23 28.118 11.621 12.327 1.00 0.00 N ATOM 347 NH2 ARG A 23 29.290 10.790 10.538 1.00 0.00 N ATOM 0 H ARG A 23 24.813 17.498 8.350 1.00 0.00 H new ATOM 0 HA ARG A 23 23.743 14.740 8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 23 25.868 16.035 10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 23 24.693 15.076 10.909 1.00 0.00 H new ATOM 0 HG2 ARG A 23 25.184 13.178 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 23 26.518 14.146 8.668 1.00 0.00 H new ATOM 0 HD2 ARG A 23 27.273 14.296 11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 23 26.144 12.987 11.445 1.00 0.00 H new ATOM 0 HE ARG A 23 28.004 12.473 9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 27.429 12.269 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 23 28.596 10.963 12.943 1.00 0.00 H new ATOM 0 HH21 ARG A 23 29.504 10.797 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 23 29.766 10.134 11.157 1.00 0.00 H new ATOM 361 N VAL A 24 21.840 15.397 9.849 1.00 0.00 N ATOM 362 CA VAL A 24 20.633 15.836 10.539 1.00 0.00 C ATOM 363 C VAL A 24 20.152 14.782 11.530 1.00 0.00 C ATOM 364 O VAL A 24 20.303 13.582 11.300 1.00 0.00 O ATOM 365 CB VAL A 24 19.498 16.145 9.544 1.00 0.00 C ATOM 366 CG1 VAL A 24 19.882 17.307 8.640 1.00 0.00 C ATOM 367 CG2 VAL A 24 19.158 14.910 8.724 1.00 0.00 C ATOM 0 H VAL A 24 21.815 14.428 9.531 1.00 0.00 H new ATOM 0 HA VAL A 24 20.891 16.747 11.079 1.00 0.00 H new ATOM 0 HB VAL A 24 18.611 16.433 10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 24 19.068 17.511 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 24 20.071 18.193 9.246 1.00 0.00 H new ATOM 0 HG13 VAL A 24 20.782 17.051 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 24 18.354 15.146 8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.039 14.589 8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 24 18.837 14.109 9.389 1.00 0.00 H new ATOM 377 N LYS A 25 19.571 15.238 12.635 1.00 0.00 N ATOM 378 CA LYS A 25 19.065 14.335 13.662 1.00 0.00 C ATOM 379 C LYS A 25 17.554 14.163 13.539 1.00 0.00 C ATOM 380 O LYS A 25 16.813 15.142 13.453 1.00 0.00 O ATOM 381 CB LYS A 25 19.417 14.865 15.054 1.00 0.00 C ATOM 382 CG LYS A 25 18.708 14.133 16.180 1.00 0.00 C ATOM 383 CD LYS A 25 19.211 14.584 17.542 1.00 0.00 C ATOM 384 CE LYS A 25 18.290 15.625 18.159 1.00 0.00 C ATOM 385 NZ LYS A 25 18.627 17.003 17.707 1.00 0.00 N ATOM 0 H LYS A 25 19.439 16.228 12.842 1.00 0.00 H new ATOM 0 HA LYS A 25 19.536 13.362 13.520 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.494 14.786 15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.165 15.924 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.635 14.309 16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.862 13.059 16.071 1.00 0.00 H new ATOM 0 HD2 LYS A 25 19.286 13.723 18.207 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.214 14.998 17.442 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.257 15.399 17.894 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.359 15.572 19.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.414 17.680 18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.639 17.054 17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.064 17.240 16.865 1.00 0.00 H new ATOM 399 N LEU A 26 17.105 12.913 13.533 1.00 0.00 N ATOM 400 CA LEU A 26 15.682 12.612 13.422 1.00 0.00 C ATOM 401 C LEU A 26 14.987 12.760 14.772 1.00 0.00 C ATOM 402 O LEU A 26 15.395 13.569 15.605 1.00 0.00 O ATOM 403 CB LEU A 26 15.480 11.194 12.885 1.00 0.00 C ATOM 404 CG LEU A 26 16.278 10.832 11.632 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.425 12.043 10.723 1.00 0.00 C ATOM 406 CD2 LEU A 26 17.644 10.279 12.011 1.00 0.00 C ATOM 0 H LEU A 26 17.706 12.092 13.604 1.00 0.00 H new ATOM 0 HA LEU A 26 15.239 13.324 12.726 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.740 10.488 13.674 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.420 11.056 12.669 1.00 0.00 H new ATOM 0 HG LEU A 26 15.733 10.060 11.089 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.996 11.766 9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.438 12.395 10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.947 12.837 11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.198 10.027 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.196 11.029 12.577 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.518 9.384 12.621 1.00 0.00 H new ATOM 418 N GLU A 27 13.938 11.970 14.982 1.00 0.00 N ATOM 419 CA GLU A 27 13.189 12.013 16.232 1.00 0.00 C ATOM 420 C GLU A 27 13.836 11.118 17.285 1.00 0.00 C ATOM 421 O GLU A 27 13.891 11.467 18.463 1.00 0.00 O ATOM 422 CB GLU A 27 11.740 11.580 15.999 1.00 0.00 C ATOM 423 CG GLU A 27 11.606 10.159 15.478 1.00 0.00 C ATOM 424 CD GLU A 27 10.168 9.781 15.177 1.00 0.00 C ATOM 425 OE1 GLU A 27 9.283 10.651 15.320 1.00 0.00 O ATOM 426 OE2 GLU A 27 9.929 8.616 14.798 1.00 0.00 O ATOM 0 H GLU A 27 13.588 11.294 14.303 1.00 0.00 H new ATOM 0 HA GLU A 27 13.199 13.040 16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.188 11.668 16.935 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.275 12.264 15.289 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.203 10.050 14.573 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.013 9.466 16.214 1.00 0.00 H new ATOM 433 N ASN A 28 14.324 9.960 16.850 1.00 0.00 N ATOM 434 CA ASN A 28 14.966 9.013 17.755 1.00 0.00 C ATOM 435 C ASN A 28 16.222 9.619 18.373 1.00 0.00 C ATOM 436 O ASN A 28 16.737 9.120 19.374 1.00 0.00 O ATOM 437 CB ASN A 28 15.320 7.725 17.010 1.00 0.00 C ATOM 438 CG ASN A 28 14.173 7.214 16.160 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.361 6.841 15.002 1.00 0.00 O ATOM 440 ND2 ASN A 28 12.975 7.195 16.734 1.00 0.00 N ATOM 0 H ASN A 28 14.287 9.655 15.877 1.00 0.00 H new ATOM 0 HA ASN A 28 14.265 8.780 18.556 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.188 7.903 16.375 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.604 6.958 17.731 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.165 6.862 16.212 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.866 7.514 17.697 1.00 0.00 H new ATOM 447 N GLY A 29 16.712 10.698 17.770 1.00 0.00 N ATOM 448 CA GLY A 29 17.904 11.354 18.276 1.00 0.00 C ATOM 449 C GLY A 29 19.138 11.021 17.461 1.00 0.00 C ATOM 450 O GLY A 29 20.153 11.712 17.549 1.00 0.00 O ATOM 0 H GLY A 29 16.305 11.130 16.940 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.750 12.433 18.273 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.066 11.058 19.312 1.00 0.00 H new ATOM 454 N HIS A 30 19.053 9.958 16.667 1.00 0.00 N ATOM 455 CA HIS A 30 20.172 9.534 15.834 1.00 0.00 C ATOM 456 C HIS A 30 20.406 10.521 14.694 1.00 0.00 C ATOM 457 O HIS A 30 19.458 11.048 14.112 1.00 0.00 O ATOM 458 CB HIS A 30 19.915 8.137 15.270 1.00 0.00 C ATOM 459 CG HIS A 30 19.706 7.094 16.325 1.00 0.00 C ATOM 460 ND1 HIS A 30 20.696 6.701 17.202 1.00 0.00 N ATOM 461 CD2 HIS A 30 18.612 6.363 16.643 1.00 0.00 C ATOM 462 CE1 HIS A 30 20.220 5.772 18.012 1.00 0.00 C ATOM 463 NE2 HIS A 30 18.957 5.549 17.694 1.00 0.00 N ATOM 0 H HIS A 30 18.220 9.375 16.583 1.00 0.00 H new ATOM 0 HA HIS A 30 21.066 9.507 16.457 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.037 8.170 14.625 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.759 7.846 14.645 1.00 0.00 H new ATOM 0 HD2 HIS A 30 17.647 6.411 16.160 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.770 5.279 18.800 1.00 0.00 H new ATOM 0 HE2 HIS A 30 18.339 4.881 18.154 1.00 0.00 H new ATOM 471 N VAL A 31 21.674 10.767 14.381 1.00 0.00 N ATOM 472 CA VAL A 31 22.032 11.690 13.311 1.00 0.00 C ATOM 473 C VAL A 31 22.413 10.938 12.041 1.00 0.00 C ATOM 474 O VAL A 31 23.282 10.066 12.060 1.00 0.00 O ATOM 475 CB VAL A 31 23.201 12.603 13.724 1.00 0.00 C ATOM 476 CG1 VAL A 31 22.779 13.536 14.849 1.00 0.00 C ATOM 477 CG2 VAL A 31 24.406 11.770 14.136 1.00 0.00 C ATOM 0 H VAL A 31 22.471 10.340 14.853 1.00 0.00 H new ATOM 0 HA VAL A 31 21.153 12.304 13.116 1.00 0.00 H new ATOM 0 HB VAL A 31 23.484 13.213 12.866 1.00 0.00 H new ATOM 0 HG11 VAL A 31 23.618 14.173 15.127 1.00 0.00 H new ATOM 0 HG12 VAL A 31 21.947 14.156 14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 31 22.468 12.948 15.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.223 12.431 14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.138 11.134 14.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.721 11.147 13.299 1.00 0.00 H new ATOM 487 N VAL A 32 21.756 11.281 10.937 1.00 0.00 N ATOM 488 CA VAL A 32 22.027 10.639 9.656 1.00 0.00 C ATOM 489 C VAL A 32 22.876 11.535 8.761 1.00 0.00 C ATOM 490 O VAL A 32 22.676 12.749 8.711 1.00 0.00 O ATOM 491 CB VAL A 32 20.722 10.284 8.919 1.00 0.00 C ATOM 492 CG1 VAL A 32 19.864 9.358 9.768 1.00 0.00 C ATOM 493 CG2 VAL A 32 19.958 11.547 8.553 1.00 0.00 C ATOM 0 H VAL A 32 21.033 11.999 10.904 1.00 0.00 H new ATOM 0 HA VAL A 32 22.575 9.722 9.871 1.00 0.00 H new ATOM 0 HB VAL A 32 20.976 9.760 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.946 9.118 9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.414 8.440 9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 32 19.616 9.852 10.708 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.039 11.278 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.714 12.100 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.574 12.169 7.903 1.00 0.00 H new ATOM 503 N LEU A 33 23.824 10.929 8.055 1.00 0.00 N ATOM 504 CA LEU A 33 24.704 11.671 7.160 1.00 0.00 C ATOM 505 C LEU A 33 24.309 11.454 5.703 1.00 0.00 C ATOM 506 O LEU A 33 24.048 10.328 5.281 1.00 0.00 O ATOM 507 CB LEU A 33 26.158 11.247 7.374 1.00 0.00 C ATOM 508 CG LEU A 33 27.154 11.700 6.306 1.00 0.00 C ATOM 509 CD1 LEU A 33 27.278 13.215 6.300 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.512 11.052 6.534 1.00 0.00 C ATOM 0 H LEU A 33 24.003 9.925 8.085 1.00 0.00 H new ATOM 0 HA LEU A 33 24.603 12.732 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 26.490 11.632 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.193 10.159 7.437 1.00 0.00 H new ATOM 0 HG LEU A 33 26.782 11.383 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 27.991 13.519 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 33 26.305 13.659 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 33 27.626 13.555 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 33 29.208 11.386 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 33 28.891 11.338 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 33 28.411 9.968 6.486 1.00 0.00 H new ATOM 522 N GLY A 34 24.268 12.540 4.937 1.00 0.00 N ATOM 523 CA GLY A 34 23.905 12.447 3.535 1.00 0.00 C ATOM 524 C GLY A 34 24.365 13.650 2.736 1.00 0.00 C ATOM 525 O GLY A 34 25.065 14.519 3.256 1.00 0.00 O ATOM 0 H GLY A 34 24.480 13.483 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.341 11.543 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.823 12.350 3.449 1.00 0.00 H new ATOM 529 N HIS A 35 23.972 13.701 1.467 1.00 0.00 N ATOM 530 CA HIS A 35 24.350 14.806 0.593 1.00 0.00 C ATOM 531 C HIS A 35 23.116 15.451 -0.030 1.00 0.00 C ATOM 532 O HIS A 35 22.126 14.775 -0.313 1.00 0.00 O ATOM 533 CB HIS A 35 25.294 14.316 -0.505 1.00 0.00 C ATOM 534 CG HIS A 35 24.649 13.373 -1.472 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.221 12.110 -1.120 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.358 13.514 -2.787 1.00 0.00 C ATOM 537 CE1 HIS A 35 23.696 11.515 -2.177 1.00 0.00 C ATOM 538 NE2 HIS A 35 23.767 12.346 -3.201 1.00 0.00 N ATOM 0 H HIS A 35 23.392 12.990 1.021 1.00 0.00 H new ATOM 0 HA HIS A 35 24.865 15.554 1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.680 15.176 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.149 13.822 -0.044 1.00 0.00 H new ATOM 0 HD2 HIS A 35 24.554 14.384 -3.397 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.280 10.519 -2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 35 23.436 12.152 -4.146 1.00 0.00 H new ATOM 546 N ILE A 36 23.182 16.762 -0.241 1.00 0.00 N ATOM 547 CA ILE A 36 22.071 17.497 -0.831 1.00 0.00 C ATOM 548 C ILE A 36 22.327 17.790 -2.306 1.00 0.00 C ATOM 549 O ILE A 36 23.462 18.036 -2.712 1.00 0.00 O ATOM 550 CB ILE A 36 21.818 18.824 -0.092 1.00 0.00 C ATOM 551 CG1 ILE A 36 20.528 19.476 -0.595 1.00 0.00 C ATOM 552 CG2 ILE A 36 22.999 19.766 -0.275 1.00 0.00 C ATOM 553 CD1 ILE A 36 20.747 20.456 -1.726 1.00 0.00 C ATOM 0 H ILE A 36 23.993 17.336 -0.012 1.00 0.00 H new ATOM 0 HA ILE A 36 21.189 16.864 -0.736 1.00 0.00 H new ATOM 0 HB ILE A 36 21.706 18.614 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.843 18.697 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.044 19.993 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.805 20.700 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.900 19.302 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 36 23.139 19.972 -1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.790 20.879 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.407 21.256 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.202 19.940 -2.572 1.00 0.00 H new ATOM 565 N SER A 37 21.263 17.764 -3.102 1.00 0.00 N ATOM 566 CA SER A 37 21.372 18.025 -4.533 1.00 0.00 C ATOM 567 C SER A 37 20.139 18.762 -5.046 1.00 0.00 C ATOM 568 O SER A 37 19.049 18.634 -4.490 1.00 0.00 O ATOM 569 CB SER A 37 21.553 16.713 -5.299 1.00 0.00 C ATOM 570 OG SER A 37 22.610 15.944 -4.753 1.00 0.00 O ATOM 0 H SER A 37 20.316 17.565 -2.781 1.00 0.00 H new ATOM 0 HA SER A 37 22.245 18.657 -4.697 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.627 16.139 -5.266 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.759 16.926 -6.348 1.00 0.00 H new ATOM 0 HG SER A 37 22.704 15.110 -5.260 1.00 0.00 H new ATOM 576 N GLY A 38 20.321 19.535 -6.113 1.00 0.00 N ATOM 577 CA GLY A 38 19.216 20.282 -6.685 1.00 0.00 C ATOM 578 C GLY A 38 19.679 21.492 -7.471 1.00 0.00 C ATOM 579 O GLY A 38 20.874 21.784 -7.529 1.00 0.00 O ATOM 0 H GLY A 38 21.214 19.657 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 38 18.639 19.628 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 38 18.548 20.605 -5.887 1.00 0.00 H new ATOM 583 N LYS A 39 18.732 22.197 -8.081 1.00 0.00 N ATOM 584 CA LYS A 39 19.048 23.382 -8.870 1.00 0.00 C ATOM 585 C LYS A 39 19.265 24.593 -7.968 1.00 0.00 C ATOM 586 O LYS A 39 19.895 25.572 -8.368 1.00 0.00 O ATOM 587 CB LYS A 39 17.925 23.671 -9.868 1.00 0.00 C ATOM 588 CG LYS A 39 17.747 22.585 -10.915 1.00 0.00 C ATOM 589 CD LYS A 39 17.019 23.107 -12.142 1.00 0.00 C ATOM 590 CE LYS A 39 15.584 23.491 -11.817 1.00 0.00 C ATOM 591 NZ LYS A 39 14.752 22.300 -11.490 1.00 0.00 N ATOM 0 H LYS A 39 17.739 21.968 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 39 19.970 23.188 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.989 23.795 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 39 18.130 24.617 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.723 22.197 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.189 21.753 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.548 23.974 -12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.025 22.345 -12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.575 24.183 -10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.148 24.017 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.748 22.572 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.900 21.565 -12.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.026 21.931 -10.557 1.00 0.00 H new ATOM 605 N MET A 40 18.741 24.519 -6.749 1.00 0.00 N ATOM 606 CA MET A 40 18.880 25.609 -5.790 1.00 0.00 C ATOM 607 C MET A 40 20.208 25.512 -5.046 1.00 0.00 C ATOM 608 O MET A 40 20.683 26.494 -4.474 1.00 0.00 O ATOM 609 CB MET A 40 17.720 25.590 -4.793 1.00 0.00 C ATOM 610 CG MET A 40 17.862 26.612 -3.676 1.00 0.00 C ATOM 611 SD MET A 40 17.975 28.303 -4.293 1.00 0.00 S ATOM 612 CE MET A 40 17.471 29.226 -2.843 1.00 0.00 C ATOM 0 H MET A 40 18.216 23.716 -6.402 1.00 0.00 H new ATOM 0 HA MET A 40 18.861 26.550 -6.341 1.00 0.00 H new ATOM 0 HB2 MET A 40 16.789 25.776 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.644 24.594 -4.356 1.00 0.00 H new ATOM 0 HG2 MET A 40 17.008 26.531 -3.004 1.00 0.00 H new ATOM 0 HG3 MET A 40 18.752 26.383 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 40 17.490 30.293 -3.066 1.00 0.00 H new ATOM 0 HE2 MET A 40 16.461 28.933 -2.558 1.00 0.00 H new ATOM 0 HE3 MET A 40 18.156 29.015 -2.021 1.00 0.00 H new ATOM 622 N ARG A 41 20.802 24.323 -5.057 1.00 0.00 N ATOM 623 CA ARG A 41 22.075 24.099 -4.382 1.00 0.00 C ATOM 624 C ARG A 41 23.237 24.611 -5.228 1.00 0.00 C ATOM 625 O ARG A 41 24.343 24.810 -4.725 1.00 0.00 O ATOM 626 CB ARG A 41 22.263 22.610 -4.084 1.00 0.00 C ATOM 627 CG ARG A 41 23.596 22.283 -3.431 1.00 0.00 C ATOM 628 CD ARG A 41 24.607 21.779 -4.448 1.00 0.00 C ATOM 629 NE ARG A 41 25.806 21.244 -3.810 1.00 0.00 N ATOM 630 CZ ARG A 41 26.968 21.095 -4.436 1.00 0.00 C ATOM 631 NH1 ARG A 41 27.087 21.440 -5.710 1.00 0.00 N ATOM 632 NH2 ARG A 41 28.014 20.600 -3.786 1.00 0.00 N ATOM 0 H ARG A 41 20.422 23.500 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 41 22.062 24.652 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.457 22.274 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 22.176 22.048 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 41 23.988 23.172 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.448 21.528 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.148 21.005 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.885 22.594 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 41 25.748 20.969 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.285 21.821 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.980 21.325 -6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 27.926 20.334 -2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 28.906 20.486 -4.267 1.00 0.00 H new ATOM 646 N MET A 42 22.979 24.820 -6.514 1.00 0.00 N ATOM 647 CA MET A 42 24.003 25.309 -7.430 1.00 0.00 C ATOM 648 C MET A 42 24.031 26.834 -7.451 1.00 0.00 C ATOM 649 O MET A 42 24.712 27.441 -8.277 1.00 0.00 O ATOM 650 CB MET A 42 23.755 24.772 -8.841 1.00 0.00 C ATOM 651 CG MET A 42 24.554 23.520 -9.164 1.00 0.00 C ATOM 652 SD MET A 42 23.914 22.054 -8.332 1.00 0.00 S ATOM 653 CE MET A 42 23.433 21.050 -9.735 1.00 0.00 C ATOM 0 H MET A 42 22.069 24.658 -6.946 1.00 0.00 H new ATOM 0 HA MET A 42 24.970 24.951 -7.078 1.00 0.00 H new ATOM 0 HB2 MET A 42 22.693 24.555 -8.957 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.003 25.548 -9.565 1.00 0.00 H new ATOM 0 HG2 MET A 42 24.544 23.355 -10.241 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.594 23.672 -8.875 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.017 20.106 -9.382 1.00 0.00 H new ATOM 0 HE2 MET A 42 22.683 21.580 -10.322 1.00 0.00 H new ATOM 0 HE3 MET A 42 24.306 20.852 -10.357 1.00 0.00 H new ATOM 663 N HIS A 43 23.286 27.447 -6.537 1.00 0.00 N ATOM 664 CA HIS A 43 23.225 28.902 -6.451 1.00 0.00 C ATOM 665 C HIS A 43 24.017 29.408 -5.248 1.00 0.00 C ATOM 666 O HIS A 43 23.758 30.498 -4.737 1.00 0.00 O ATOM 667 CB HIS A 43 21.772 29.368 -6.353 1.00 0.00 C ATOM 668 CG HIS A 43 21.085 29.468 -7.680 1.00 0.00 C ATOM 669 ND1 HIS A 43 21.183 28.496 -8.653 1.00 0.00 N ATOM 670 CD2 HIS A 43 20.283 30.431 -8.191 1.00 0.00 C ATOM 671 CE1 HIS A 43 20.473 28.858 -9.707 1.00 0.00 C ATOM 672 NE2 HIS A 43 19.917 30.029 -9.452 1.00 0.00 N ATOM 0 H HIS A 43 22.716 26.959 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 43 23.670 29.314 -7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 43 21.219 28.676 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 43 21.743 30.342 -5.864 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.986 31.345 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 43 20.366 28.293 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.314 30.550 -10.088 1.00 0.00 H new ATOM 680 N TYR A 44 24.980 28.610 -4.802 1.00 0.00 N ATOM 681 CA TYR A 44 25.807 28.976 -3.658 1.00 0.00 C ATOM 682 C TYR A 44 24.954 29.156 -2.405 1.00 0.00 C ATOM 683 O TYR A 44 24.862 30.254 -1.856 1.00 0.00 O ATOM 684 CB TYR A 44 26.580 30.263 -3.951 1.00 0.00 C ATOM 685 CG TYR A 44 27.242 30.275 -5.310 1.00 0.00 C ATOM 686 CD1 TYR A 44 28.422 29.577 -5.536 1.00 0.00 C ATOM 687 CD2 TYR A 44 26.688 30.984 -6.369 1.00 0.00 C ATOM 688 CE1 TYR A 44 29.032 29.586 -6.776 1.00 0.00 C ATOM 689 CE2 TYR A 44 27.290 30.997 -7.613 1.00 0.00 C ATOM 690 CZ TYR A 44 28.461 30.297 -7.811 1.00 0.00 C ATOM 691 OH TYR A 44 29.065 30.307 -9.048 1.00 0.00 O ATOM 0 H TYR A 44 25.208 27.705 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 44 26.516 28.167 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 44 25.898 31.110 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 44 27.342 30.402 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 44 28.870 29.018 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 44 25.771 31.534 -6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 44 29.950 29.040 -6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 44 26.845 31.553 -8.426 1.00 0.00 H new ATOM 0 HH TYR A 44 28.536 30.853 -9.666 1.00 0.00 H new ATOM 701 N ILE A 45 24.334 28.069 -1.959 1.00 0.00 N ATOM 702 CA ILE A 45 23.491 28.105 -0.770 1.00 0.00 C ATOM 703 C ILE A 45 24.322 28.340 0.486 1.00 0.00 C ATOM 704 O ILE A 45 25.538 28.520 0.414 1.00 0.00 O ATOM 705 CB ILE A 45 22.692 26.799 -0.607 1.00 0.00 C ATOM 706 CG1 ILE A 45 23.642 25.605 -0.490 1.00 0.00 C ATOM 707 CG2 ILE A 45 21.739 26.611 -1.778 1.00 0.00 C ATOM 708 CD1 ILE A 45 24.046 25.292 0.933 1.00 0.00 C ATOM 0 H ILE A 45 24.399 27.153 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 45 22.795 28.933 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 45 22.104 26.863 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.164 24.727 -0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.538 25.805 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 45 21.181 25.683 -1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 45 21.044 27.449 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.308 26.565 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.719 24.435 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.552 26.155 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.158 25.060 1.521 1.00 0.00 H new ATOM 720 N ARG A 46 23.659 28.334 1.638 1.00 0.00 N ATOM 721 CA ARG A 46 24.336 28.545 2.911 1.00 0.00 C ATOM 722 C ARG A 46 23.540 27.932 4.059 1.00 0.00 C ATOM 723 O ARG A 46 22.982 28.646 4.893 1.00 0.00 O ATOM 724 CB ARG A 46 24.542 30.040 3.162 1.00 0.00 C ATOM 725 CG ARG A 46 25.713 30.631 2.393 1.00 0.00 C ATOM 726 CD ARG A 46 26.005 32.057 2.832 1.00 0.00 C ATOM 727 NE ARG A 46 25.122 33.022 2.182 1.00 0.00 N ATOM 728 CZ ARG A 46 25.220 34.336 2.348 1.00 0.00 C ATOM 729 NH1 ARG A 46 26.158 34.840 3.138 1.00 0.00 N ATOM 730 NH2 ARG A 46 24.379 35.150 1.723 1.00 0.00 N ATOM 0 H ARG A 46 22.653 28.185 1.715 1.00 0.00 H new ATOM 0 HA ARG A 46 25.308 28.054 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.632 30.574 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 46 24.699 30.203 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 46 26.598 30.014 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 46 25.494 30.616 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 46 25.892 32.134 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 46 27.042 32.302 2.602 1.00 0.00 H new ATOM 0 HE ARG A 46 24.390 32.667 1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 46 26.807 34.218 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.231 35.850 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.656 34.767 1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.455 36.159 1.851 1.00 0.00 H new ATOM 744 N ILE A 47 23.491 26.604 4.095 1.00 0.00 N ATOM 745 CA ILE A 47 22.764 25.895 5.141 1.00 0.00 C ATOM 746 C ILE A 47 23.487 25.998 6.479 1.00 0.00 C ATOM 747 O ILE A 47 24.717 25.984 6.536 1.00 0.00 O ATOM 748 CB ILE A 47 22.574 24.409 4.785 1.00 0.00 C ATOM 749 CG1 ILE A 47 21.799 24.271 3.473 1.00 0.00 C ATOM 750 CG2 ILE A 47 21.854 23.683 5.911 1.00 0.00 C ATOM 751 CD1 ILE A 47 22.310 23.160 2.583 1.00 0.00 C ATOM 0 H ILE A 47 23.946 25.998 3.412 1.00 0.00 H new ATOM 0 HA ILE A 47 21.786 26.368 5.223 1.00 0.00 H new ATOM 0 HB ILE A 47 23.556 23.953 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.748 24.090 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.851 25.214 2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.727 22.634 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 47 22.442 23.757 6.826 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.876 24.138 6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.714 23.121 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.352 23.349 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.233 22.208 3.108 1.00 0.00 H new ATOM 763 N LEU A 48 22.715 26.098 7.556 1.00 0.00 N ATOM 764 CA LEU A 48 23.281 26.201 8.896 1.00 0.00 C ATOM 765 C LEU A 48 22.684 25.146 9.822 1.00 0.00 C ATOM 766 O LEU A 48 21.572 24.659 9.614 1.00 0.00 O ATOM 767 CB LEU A 48 23.035 27.597 9.470 1.00 0.00 C ATOM 768 CG LEU A 48 21.691 27.808 10.168 1.00 0.00 C ATOM 769 CD1 LEU A 48 21.611 29.207 10.761 1.00 0.00 C ATOM 770 CD2 LEU A 48 20.542 27.572 9.198 1.00 0.00 C ATOM 0 H LEU A 48 21.695 26.110 7.527 1.00 0.00 H new ATOM 0 HA LEU A 48 24.355 26.029 8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.830 27.821 10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.119 28.321 8.660 1.00 0.00 H new ATOM 0 HG LEU A 48 21.609 27.086 10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.648 29.339 11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.412 29.340 11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.716 29.946 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.594 27.727 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.620 28.270 8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.588 26.550 8.821 1.00 0.00 H new ATOM 782 N PRO A 49 23.438 24.783 10.871 1.00 0.00 N ATOM 783 CA PRO A 49 23.002 23.784 11.851 1.00 0.00 C ATOM 784 C PRO A 49 21.858 24.289 12.723 1.00 0.00 C ATOM 785 O PRO A 49 21.989 25.297 13.416 1.00 0.00 O ATOM 786 CB PRO A 49 24.256 23.548 12.698 1.00 0.00 C ATOM 787 CG PRO A 49 25.043 24.806 12.567 1.00 0.00 C ATOM 788 CD PRO A 49 24.773 25.322 11.181 1.00 0.00 C ATOM 0 HA PRO A 49 22.618 22.883 11.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.999 23.348 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 49 24.821 22.688 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.742 25.534 13.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.107 24.618 12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.784 26.411 11.148 1.00 0.00 H new ATOM 0 HD3 PRO A 49 25.522 24.974 10.470 1.00 0.00 H new ATOM 796 N GLY A 50 20.733 23.580 12.684 1.00 0.00 N ATOM 797 CA GLY A 50 19.582 23.972 13.476 1.00 0.00 C ATOM 798 C GLY A 50 18.346 24.200 12.628 1.00 0.00 C ATOM 799 O GLY A 50 17.338 24.714 13.114 1.00 0.00 O ATOM 0 H GLY A 50 20.599 22.742 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.374 23.199 14.216 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.816 24.884 14.025 1.00 0.00 H new ATOM 803 N ASP A 51 18.424 23.821 11.358 1.00 0.00 N ATOM 804 CA ASP A 51 17.303 23.988 10.440 1.00 0.00 C ATOM 805 C ASP A 51 16.571 22.666 10.230 1.00 0.00 C ATOM 806 O ASP A 51 17.191 21.606 10.148 1.00 0.00 O ATOM 807 CB ASP A 51 17.793 24.532 9.097 1.00 0.00 C ATOM 808 CG ASP A 51 16.653 24.829 8.142 1.00 0.00 C ATOM 809 OD1 ASP A 51 15.744 25.596 8.523 1.00 0.00 O ATOM 810 OD2 ASP A 51 16.671 24.294 7.014 1.00 0.00 O ATOM 0 H ASP A 51 19.252 23.396 10.940 1.00 0.00 H new ATOM 0 HA ASP A 51 16.607 24.702 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.369 25.442 9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 51 18.467 23.808 8.639 1.00 0.00 H new ATOM 815 N LYS A 52 15.246 22.737 10.145 1.00 0.00 N ATOM 816 CA LYS A 52 14.428 21.547 9.945 1.00 0.00 C ATOM 817 C LYS A 52 14.422 21.131 8.478 1.00 0.00 C ATOM 818 O LYS A 52 14.010 21.896 7.606 1.00 0.00 O ATOM 819 CB LYS A 52 12.995 21.803 10.419 1.00 0.00 C ATOM 820 CG LYS A 52 12.316 20.572 10.994 1.00 0.00 C ATOM 821 CD LYS A 52 11.236 20.948 11.995 1.00 0.00 C ATOM 822 CE LYS A 52 11.766 20.929 13.420 1.00 0.00 C ATOM 823 NZ LYS A 52 10.679 21.126 14.419 1.00 0.00 N ATOM 0 H LYS A 52 14.717 23.606 10.212 1.00 0.00 H new ATOM 0 HA LYS A 52 14.860 20.737 10.532 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.006 22.588 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.405 22.175 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.877 19.987 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.059 19.939 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.852 21.941 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.400 20.254 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.265 19.979 13.609 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.515 21.712 13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.081 21.107 15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.219 22.044 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.977 20.365 14.323 1.00 0.00 H new ATOM 837 N VAL A 53 14.881 19.912 8.211 1.00 0.00 N ATOM 838 CA VAL A 53 14.926 19.393 6.850 1.00 0.00 C ATOM 839 C VAL A 53 14.515 17.925 6.807 1.00 0.00 C ATOM 840 O VAL A 53 14.521 17.236 7.828 1.00 0.00 O ATOM 841 CB VAL A 53 16.333 19.538 6.240 1.00 0.00 C ATOM 842 CG1 VAL A 53 16.794 20.986 6.300 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.319 18.626 6.954 1.00 0.00 C ATOM 0 H VAL A 53 15.227 19.266 8.920 1.00 0.00 H new ATOM 0 HA VAL A 53 14.221 19.982 6.264 1.00 0.00 H new ATOM 0 HB VAL A 53 16.289 19.239 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.790 21.069 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.100 21.612 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.823 21.316 7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.308 18.741 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.362 18.892 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.995 17.590 6.854 1.00 0.00 H new ATOM 853 N THR A 54 14.157 17.451 5.618 1.00 0.00 N ATOM 854 CA THR A 54 13.742 16.065 5.441 1.00 0.00 C ATOM 855 C THR A 54 14.884 15.214 4.899 1.00 0.00 C ATOM 856 O THR A 54 15.701 15.684 4.107 1.00 0.00 O ATOM 857 CB THR A 54 12.538 15.957 4.486 1.00 0.00 C ATOM 858 OG1 THR A 54 11.544 16.924 4.839 1.00 0.00 O ATOM 859 CG2 THR A 54 11.935 14.561 4.532 1.00 0.00 C ATOM 0 H THR A 54 14.146 18.007 4.763 1.00 0.00 H new ATOM 0 HA THR A 54 13.451 15.694 6.424 1.00 0.00 H new ATOM 0 HB THR A 54 12.888 16.151 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.783 16.850 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.087 14.509 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.686 13.830 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.599 14.343 5.546 1.00 0.00 H new ATOM 867 N VAL A 55 14.936 13.957 5.330 1.00 0.00 N ATOM 868 CA VAL A 55 15.978 13.039 4.886 1.00 0.00 C ATOM 869 C VAL A 55 15.414 11.644 4.644 1.00 0.00 C ATOM 870 O VAL A 55 14.624 11.137 5.440 1.00 0.00 O ATOM 871 CB VAL A 55 17.121 12.948 5.915 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.008 14.182 5.838 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.562 12.770 7.318 1.00 0.00 C ATOM 0 H VAL A 55 14.268 13.552 5.986 1.00 0.00 H new ATOM 0 HA VAL A 55 16.372 13.435 3.950 1.00 0.00 H new ATOM 0 HB VAL A 55 17.731 12.076 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.810 14.100 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.437 14.260 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.413 15.071 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.383 12.708 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 55 15.928 13.621 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.973 11.854 7.362 1.00 0.00 H new ATOM 883 N GLU A 56 15.827 11.028 3.541 1.00 0.00 N ATOM 884 CA GLU A 56 15.362 9.690 3.194 1.00 0.00 C ATOM 885 C GLU A 56 16.406 8.639 3.561 1.00 0.00 C ATOM 886 O GLU A 56 17.531 8.664 3.060 1.00 0.00 O ATOM 887 CB GLU A 56 15.042 9.608 1.700 1.00 0.00 C ATOM 888 CG GLU A 56 13.611 9.190 1.405 1.00 0.00 C ATOM 889 CD GLU A 56 13.453 8.585 0.024 1.00 0.00 C ATOM 890 OE1 GLU A 56 14.482 8.245 -0.597 1.00 0.00 O ATOM 891 OE2 GLU A 56 12.299 8.450 -0.435 1.00 0.00 O ATOM 0 H GLU A 56 16.482 11.434 2.873 1.00 0.00 H new ATOM 0 HA GLU A 56 14.454 9.490 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.229 10.580 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.723 8.899 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.286 8.467 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.957 10.058 1.494 1.00 0.00 H new ATOM 898 N LEU A 57 16.025 7.717 4.438 1.00 0.00 N ATOM 899 CA LEU A 57 16.928 6.656 4.873 1.00 0.00 C ATOM 900 C LEU A 57 16.340 5.282 4.571 1.00 0.00 C ATOM 901 O LEU A 57 15.152 5.041 4.788 1.00 0.00 O ATOM 902 CB LEU A 57 17.212 6.784 6.371 1.00 0.00 C ATOM 903 CG LEU A 57 18.180 5.758 6.960 1.00 0.00 C ATOM 904 CD1 LEU A 57 19.609 6.275 6.896 1.00 0.00 C ATOM 905 CD2 LEU A 57 17.796 5.425 8.394 1.00 0.00 C ATOM 0 H LEU A 57 15.098 7.682 4.862 1.00 0.00 H new ATOM 0 HA LEU A 57 17.863 6.759 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.610 7.781 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.266 6.711 6.907 1.00 0.00 H new ATOM 0 HG LEU A 57 18.118 4.846 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.284 5.532 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.882 6.463 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 19.687 7.202 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 57 18.496 4.693 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.829 6.331 8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.787 5.012 8.414 1.00 0.00 H new ATOM 917 N THR A 58 17.179 4.382 4.069 1.00 0.00 N ATOM 918 CA THR A 58 16.743 3.031 3.738 1.00 0.00 C ATOM 919 C THR A 58 17.128 2.045 4.834 1.00 0.00 C ATOM 920 O THR A 58 18.023 2.295 5.642 1.00 0.00 O ATOM 921 CB THR A 58 17.347 2.558 2.402 1.00 0.00 C ATOM 922 OG1 THR A 58 18.647 3.130 2.222 1.00 0.00 O ATOM 923 CG2 THR A 58 16.451 2.944 1.235 1.00 0.00 C ATOM 0 H THR A 58 18.165 4.564 3.883 1.00 0.00 H new ATOM 0 HA THR A 58 15.657 3.062 3.647 1.00 0.00 H new ATOM 0 HB THR A 58 17.430 1.472 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.025 2.823 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.899 2.599 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.472 2.482 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.340 4.028 1.205 1.00 0.00 H new ATOM 931 N PRO A 59 16.437 0.895 4.866 1.00 0.00 N ATOM 932 CA PRO A 59 16.690 -0.153 5.859 1.00 0.00 C ATOM 933 C PRO A 59 18.029 -0.849 5.639 1.00 0.00 C ATOM 934 O PRO A 59 18.601 -1.423 6.566 1.00 0.00 O ATOM 935 CB PRO A 59 15.535 -1.133 5.642 1.00 0.00 C ATOM 936 CG PRO A 59 15.124 -0.927 4.225 1.00 0.00 C ATOM 937 CD PRO A 59 15.356 0.530 3.935 1.00 0.00 C ATOM 0 HA PRO A 59 16.742 0.248 6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.850 -2.162 5.817 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.711 -0.931 6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.708 -1.556 3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.077 -1.192 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.648 0.692 2.897 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.458 1.123 4.110 1.00 0.00 H new ATOM 945 N TYR A 60 18.522 -0.795 4.407 1.00 0.00 N ATOM 946 CA TYR A 60 19.793 -1.423 4.065 1.00 0.00 C ATOM 947 C TYR A 60 20.917 -0.897 4.952 1.00 0.00 C ATOM 948 O TYR A 60 21.925 -1.572 5.163 1.00 0.00 O ATOM 949 CB TYR A 60 20.130 -1.172 2.594 1.00 0.00 C ATOM 950 CG TYR A 60 19.020 -1.559 1.644 1.00 0.00 C ATOM 951 CD1 TYR A 60 18.551 -2.866 1.587 1.00 0.00 C ATOM 952 CD2 TYR A 60 18.438 -0.618 0.803 1.00 0.00 C ATOM 953 CE1 TYR A 60 17.537 -3.225 0.720 1.00 0.00 C ATOM 954 CE2 TYR A 60 17.423 -0.967 -0.066 1.00 0.00 C ATOM 955 CZ TYR A 60 16.976 -2.272 -0.104 1.00 0.00 C ATOM 956 OH TYR A 60 15.965 -2.624 -0.968 1.00 0.00 O ATOM 0 H TYR A 60 18.061 -0.323 3.629 1.00 0.00 H new ATOM 0 HA TYR A 60 19.695 -2.496 4.231 1.00 0.00 H new ATOM 0 HB2 TYR A 60 20.361 -0.116 2.458 1.00 0.00 H new ATOM 0 HB3 TYR A 60 21.029 -1.731 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 60 18.987 -3.614 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.786 0.404 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.186 -4.246 0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.982 -0.223 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 60 15.917 -3.601 -1.035 1.00 0.00 H new ATOM 966 N ASP A 61 20.736 0.313 5.470 1.00 0.00 N ATOM 967 CA ASP A 61 21.733 0.931 6.337 1.00 0.00 C ATOM 968 C ASP A 61 21.205 2.234 6.929 1.00 0.00 C ATOM 969 O ASP A 61 20.768 3.127 6.201 1.00 0.00 O ATOM 970 CB ASP A 61 23.023 1.195 5.559 1.00 0.00 C ATOM 971 CG ASP A 61 24.208 1.443 6.471 1.00 0.00 C ATOM 972 OD1 ASP A 61 23.987 1.778 7.653 1.00 0.00 O ATOM 973 OD2 ASP A 61 25.357 1.303 6.002 1.00 0.00 O ATOM 0 H ASP A 61 19.908 0.885 5.305 1.00 0.00 H new ATOM 0 HA ASP A 61 21.946 0.242 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 23.236 0.342 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 61 22.882 2.058 4.909 1.00 0.00 H new ATOM 978 N LEU A 62 21.248 2.337 8.253 1.00 0.00 N ATOM 979 CA LEU A 62 20.773 3.531 8.943 1.00 0.00 C ATOM 980 C LEU A 62 21.920 4.504 9.199 1.00 0.00 C ATOM 981 O LEU A 62 21.818 5.389 10.049 1.00 0.00 O ATOM 982 CB LEU A 62 20.109 3.148 10.267 1.00 0.00 C ATOM 983 CG LEU A 62 21.032 2.562 11.336 1.00 0.00 C ATOM 984 CD1 LEU A 62 20.573 2.979 12.725 1.00 0.00 C ATOM 985 CD2 LEU A 62 21.083 1.045 11.223 1.00 0.00 C ATOM 0 H LEU A 62 21.607 1.608 8.870 1.00 0.00 H new ATOM 0 HA LEU A 62 20.039 4.023 8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 62 19.627 4.035 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.321 2.424 10.059 1.00 0.00 H new ATOM 0 HG LEU A 62 22.037 2.953 11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.242 2.553 13.473 1.00 0.00 H new ATOM 0 HD12 LEU A 62 20.589 4.066 12.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 19.559 2.618 12.897 1.00 0.00 H new ATOM 0 HD21 LEU A 62 21.745 0.645 11.991 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.082 0.636 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 62 21.460 0.766 10.239 1.00 0.00 H new ATOM 997 N SER A 63 23.009 4.336 8.456 1.00 0.00 N ATOM 998 CA SER A 63 24.175 5.199 8.603 1.00 0.00 C ATOM 999 C SER A 63 24.473 5.936 7.301 1.00 0.00 C ATOM 1000 O SER A 63 25.607 6.349 7.054 1.00 0.00 O ATOM 1001 CB SER A 63 25.394 4.376 9.027 1.00 0.00 C ATOM 1002 OG SER A 63 26.096 3.886 7.898 1.00 0.00 O ATOM 0 H SER A 63 23.108 3.610 7.746 1.00 0.00 H new ATOM 0 HA SER A 63 23.956 5.936 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 63 26.059 4.991 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.074 3.541 9.651 1.00 0.00 H new ATOM 0 HG SER A 63 26.450 4.639 7.381 1.00 0.00 H new ATOM 1008 N ARG A 64 23.448 6.097 6.471 1.00 0.00 N ATOM 1009 CA ARG A 64 23.599 6.783 5.194 1.00 0.00 C ATOM 1010 C ARG A 64 22.238 7.072 4.568 1.00 0.00 C ATOM 1011 O ARG A 64 21.502 6.154 4.207 1.00 0.00 O ATOM 1012 CB ARG A 64 24.444 5.942 4.236 1.00 0.00 C ATOM 1013 CG ARG A 64 23.935 4.521 4.061 1.00 0.00 C ATOM 1014 CD ARG A 64 24.984 3.628 3.418 1.00 0.00 C ATOM 1015 NE ARG A 64 25.348 4.087 2.080 1.00 0.00 N ATOM 1016 CZ ARG A 64 24.573 3.931 1.013 1.00 0.00 C ATOM 1017 NH1 ARG A 64 23.396 3.331 1.126 1.00 0.00 N ATOM 1018 NH2 ARG A 64 24.974 4.377 -0.171 1.00 0.00 N ATOM 0 H ARG A 64 22.504 5.761 6.660 1.00 0.00 H new ATOM 0 HA ARG A 64 24.105 7.731 5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.470 6.432 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.470 5.909 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.653 4.112 5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.036 4.529 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 64 25.874 3.603 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 64 24.605 2.607 3.361 1.00 0.00 H new ATOM 0 HE ARG A 64 26.247 4.553 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.084 2.988 2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.803 3.213 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 64 25.878 4.840 -0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 64 24.378 4.257 -0.990 1.00 0.00 H new ATOM 1032 N ALA A 65 21.910 8.354 4.442 1.00 0.00 N ATOM 1033 CA ALA A 65 20.639 8.764 3.859 1.00 0.00 C ATOM 1034 C ALA A 65 20.834 9.905 2.865 1.00 0.00 C ATOM 1035 O ALA A 65 21.929 10.453 2.742 1.00 0.00 O ATOM 1036 CB ALA A 65 19.664 9.175 4.952 1.00 0.00 C ATOM 0 H ALA A 65 22.508 9.126 4.736 1.00 0.00 H new ATOM 0 HA ALA A 65 20.224 7.913 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.719 9.479 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.492 8.333 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.081 10.009 5.517 1.00 0.00 H new ATOM 1042 N ARG A 66 19.765 10.256 2.158 1.00 0.00 N ATOM 1043 CA ARG A 66 19.819 11.330 1.173 1.00 0.00 C ATOM 1044 C ARG A 66 19.217 12.614 1.736 1.00 0.00 C ATOM 1045 O ARG A 66 18.132 12.599 2.318 1.00 0.00 O ATOM 1046 CB ARG A 66 19.077 10.921 -0.100 1.00 0.00 C ATOM 1047 CG ARG A 66 17.596 10.654 0.117 1.00 0.00 C ATOM 1048 CD ARG A 66 16.924 10.170 -1.158 1.00 0.00 C ATOM 1049 NE ARG A 66 17.274 10.998 -2.309 1.00 0.00 N ATOM 1050 CZ ARG A 66 16.700 12.167 -2.575 1.00 0.00 C ATOM 1051 NH1 ARG A 66 15.755 12.642 -1.776 1.00 0.00 N ATOM 1052 NH2 ARG A 66 17.072 12.862 -3.642 1.00 0.00 N ATOM 0 H ARG A 66 18.851 9.812 2.249 1.00 0.00 H new ATOM 0 HA ARG A 66 20.866 11.515 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.190 11.708 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.543 10.025 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.471 9.907 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.108 11.565 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.215 9.138 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.842 10.176 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 66 17.998 10.661 -2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.467 12.110 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.316 13.539 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.799 12.499 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.631 13.759 -3.846 1.00 0.00 H new ATOM 1066 N ILE A 67 19.928 13.722 1.559 1.00 0.00 N ATOM 1067 CA ILE A 67 19.464 15.014 2.048 1.00 0.00 C ATOM 1068 C ILE A 67 18.352 15.569 1.165 1.00 0.00 C ATOM 1069 O ILE A 67 18.498 15.657 -0.054 1.00 0.00 O ATOM 1070 CB ILE A 67 20.613 16.038 2.112 1.00 0.00 C ATOM 1071 CG1 ILE A 67 21.726 15.531 3.030 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.095 17.386 2.592 1.00 0.00 C ATOM 1073 CD1 ILE A 67 21.313 15.429 4.482 1.00 0.00 C ATOM 0 H ILE A 67 20.828 13.751 1.080 1.00 0.00 H new ATOM 0 HA ILE A 67 19.078 14.850 3.054 1.00 0.00 H new ATOM 0 HB ILE A 67 21.024 16.165 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 67 22.053 14.550 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.584 16.199 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 67 20.919 18.099 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.333 17.750 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.662 17.276 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 22.152 15.063 5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 67 21.014 16.412 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 67 20.475 14.738 4.574 1.00 0.00 H new ATOM 1085 N VAL A 68 17.239 15.944 1.789 1.00 0.00 N ATOM 1086 CA VAL A 68 16.102 16.493 1.060 1.00 0.00 C ATOM 1087 C VAL A 68 15.830 17.935 1.473 1.00 0.00 C ATOM 1088 O VAL A 68 16.290 18.390 2.520 1.00 0.00 O ATOM 1089 CB VAL A 68 14.830 15.656 1.290 1.00 0.00 C ATOM 1090 CG1 VAL A 68 13.794 15.952 0.217 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.168 14.173 1.322 1.00 0.00 C ATOM 0 H VAL A 68 17.101 15.877 2.797 1.00 0.00 H new ATOM 0 HA VAL A 68 16.360 16.463 0.001 1.00 0.00 H new ATOM 0 HB VAL A 68 14.405 15.930 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.902 15.351 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.531 17.009 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.205 15.708 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.258 13.596 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.617 13.882 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.872 13.978 2.131 1.00 0.00 H new ATOM 1101 N PHE A 69 15.077 18.651 0.643 1.00 0.00 N ATOM 1102 CA PHE A 69 14.743 20.042 0.922 1.00 0.00 C ATOM 1103 C PHE A 69 14.207 20.199 2.342 1.00 0.00 C ATOM 1104 O PHE A 69 13.850 19.218 2.994 1.00 0.00 O ATOM 1105 CB PHE A 69 13.710 20.552 -0.085 1.00 0.00 C ATOM 1106 CG PHE A 69 14.313 21.015 -1.380 1.00 0.00 C ATOM 1107 CD1 PHE A 69 14.493 20.130 -2.431 1.00 0.00 C ATOM 1108 CD2 PHE A 69 14.699 22.335 -1.547 1.00 0.00 C ATOM 1109 CE1 PHE A 69 15.049 20.554 -3.624 1.00 0.00 C ATOM 1110 CE2 PHE A 69 15.254 22.765 -2.738 1.00 0.00 C ATOM 1111 CZ PHE A 69 15.428 21.873 -3.778 1.00 0.00 C ATOM 0 H PHE A 69 14.687 18.290 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 69 15.654 20.634 0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.992 19.758 -0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.154 21.376 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 69 14.196 19.098 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.565 23.037 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.187 19.854 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 69 15.551 23.797 -2.855 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.860 22.206 -4.710 1.00 0.00 H new ATOM 1121 N ARG A 70 14.154 21.440 2.814 1.00 0.00 N ATOM 1122 CA ARG A 70 13.663 21.727 4.157 1.00 0.00 C ATOM 1123 C ARG A 70 12.322 21.042 4.403 1.00 0.00 C ATOM 1124 O ARG A 70 11.609 20.696 3.462 1.00 0.00 O ATOM 1125 CB ARG A 70 13.523 23.236 4.360 1.00 0.00 C ATOM 1126 CG ARG A 70 12.440 23.869 3.502 1.00 0.00 C ATOM 1127 CD ARG A 70 12.391 25.377 3.687 1.00 0.00 C ATOM 1128 NE ARG A 70 11.610 26.032 2.642 1.00 0.00 N ATOM 1129 CZ ARG A 70 11.306 27.325 2.653 1.00 0.00 C ATOM 1130 NH1 ARG A 70 11.716 28.098 3.650 1.00 0.00 N ATOM 1131 NH2 ARG A 70 10.591 27.849 1.665 1.00 0.00 N ATOM 0 H ARG A 70 14.445 22.263 2.287 1.00 0.00 H new ATOM 0 HA ARG A 70 14.387 21.337 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.305 23.434 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.477 23.714 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.623 23.636 2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.472 23.438 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.960 25.609 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.406 25.776 3.685 1.00 0.00 H new ATOM 0 HE ARG A 70 11.280 25.466 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.266 27.700 4.411 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.481 29.091 3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.274 27.259 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.358 28.842 1.675 1.00 0.00 H new ATOM 1145 N ALA A 71 11.985 20.851 5.674 1.00 0.00 N ATOM 1146 CA ALA A 71 10.730 20.209 6.044 1.00 0.00 C ATOM 1147 C ALA A 71 9.670 21.245 6.406 1.00 0.00 C ATOM 1148 O ALA A 71 9.956 22.229 7.088 1.00 0.00 O ATOM 1149 CB ALA A 71 10.949 19.249 7.203 1.00 0.00 C ATOM 0 H ALA A 71 12.564 21.132 6.465 1.00 0.00 H new ATOM 0 HA ALA A 71 10.371 19.645 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.003 18.777 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.667 18.483 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.334 19.798 8.062 1.00 0.00 H new ATOM 1155 N LYS A 72 8.445 21.017 5.945 1.00 0.00 N ATOM 1156 CA LYS A 72 7.342 21.929 6.220 1.00 0.00 C ATOM 1157 C LYS A 72 6.350 21.305 7.195 1.00 0.00 C ATOM 1158 O LYS A 72 5.371 21.939 7.592 1.00 0.00 O ATOM 1159 CB LYS A 72 6.627 22.305 4.919 1.00 0.00 C ATOM 1160 CG LYS A 72 7.413 23.272 4.051 1.00 0.00 C ATOM 1161 CD LYS A 72 7.022 23.151 2.587 1.00 0.00 C ATOM 1162 CE LYS A 72 5.592 23.613 2.352 1.00 0.00 C ATOM 1163 NZ LYS A 72 5.367 24.998 2.851 1.00 0.00 N ATOM 0 H LYS A 72 8.191 20.208 5.379 1.00 0.00 H new ATOM 0 HA LYS A 72 7.754 22.830 6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.427 21.398 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.661 22.749 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.239 24.293 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.480 23.077 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.702 23.745 1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.128 22.115 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.367 23.570 1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.903 22.931 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.507 25.388 2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.255 24.981 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.182 25.594 2.601 1.00 0.00 H new TER 1177 LYS A 72