USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 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 47 CYS SG : rot -76:sc= 0.801 USER MOD Set 1.2: A 48 THR OG1 : rot 60:sc= 0.0901 USER MOD Single : A 1 ARG N :NH3+ -160:sc= -1.98! (180deg=-3.6!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -3.1! C(o=-3.1!,f=-2.6!) USER MOD Single : A 11 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 84:sc= 0.00121 USER MOD Single : A 17 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 83:sc= 0.311 USER MOD Single : A 30 SER OG : rot 105:sc= 0.632 USER MOD Single : A 35 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.067) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 165:sc= -0.011 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00715 X(o=-0.0072,f=-0.21) USER MOD Single : A 40 SER OG : rot 84:sc= -3.34! USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.586 F(o=-1.5,f=-0.59) USER MOD Single : A 46 ASN : amide:sc= -8.28! C(o=-8.3!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.878 (180deg=0.777) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.116 -4.689 2.159 1.00 0.00 N ATOM 2 CA ARG A 1 0.930 -3.744 3.247 1.00 0.00 C ATOM 3 C ARG A 1 2.002 -3.950 4.318 1.00 0.00 C ATOM 4 O ARG A 1 2.289 -3.042 5.097 1.00 0.00 O ATOM 5 CB ARG A 1 -0.453 -3.901 3.881 1.00 0.00 C ATOM 6 CG ARG A 1 -1.549 -3.402 2.939 1.00 0.00 C ATOM 7 CD ARG A 1 -1.851 -4.436 1.852 1.00 0.00 C ATOM 8 NE ARG A 1 -1.822 -3.793 0.519 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.927 -4.460 -0.638 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.068 -5.792 -0.634 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.890 -3.793 -1.800 1.00 0.00 N ATOM 0 H1 ARG A 1 0.627 -4.341 1.310 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.131 -4.791 1.957 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.723 -5.613 2.431 1.00 0.00 H new ATOM 0 HA ARG A 1 1.015 -2.739 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -0.628 -4.949 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.493 -3.345 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -2.455 -3.192 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -1.238 -2.465 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -1.118 -5.242 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -2.829 -4.885 2.027 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.715 -2.779 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.096 -6.299 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -2.148 -6.299 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.782 -2.779 -1.803 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -1.970 -4.300 -2.682 1.00 0.00 H new ATOM 22 N ILE A 2 2.566 -5.148 4.324 1.00 0.00 N ATOM 23 CA ILE A 2 3.600 -5.485 5.288 1.00 0.00 C ATOM 24 C ILE A 2 4.807 -6.068 4.551 1.00 0.00 C ATOM 25 O ILE A 2 5.335 -7.108 4.941 1.00 0.00 O ATOM 26 CB ILE A 2 3.041 -6.405 6.375 1.00 0.00 C ATOM 27 CG1 ILE A 2 1.665 -5.926 6.844 1.00 0.00 C ATOM 28 CG2 ILE A 2 4.027 -6.544 7.537 1.00 0.00 C ATOM 29 CD1 ILE A 2 1.787 -4.669 7.707 1.00 0.00 C ATOM 0 H ILE A 2 2.327 -5.899 3.676 1.00 0.00 H new ATOM 0 HA ILE A 2 3.943 -4.590 5.806 1.00 0.00 H new ATOM 0 HB ILE A 2 2.907 -7.398 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.034 -5.718 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.175 -6.716 7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.605 -7.203 8.296 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.964 -6.965 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.216 -5.563 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.795 -4.350 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.398 -4.887 8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.255 -3.873 7.127 1.00 0.00 H new ATOM 40 N TYR A 3 5.210 -5.371 3.497 1.00 0.00 N ATOM 41 CA TYR A 3 6.346 -5.806 2.702 1.00 0.00 C ATOM 42 C TYR A 3 7.637 -5.141 3.181 1.00 0.00 C ATOM 43 O TYR A 3 8.726 -5.674 2.978 1.00 0.00 O ATOM 44 CB TYR A 3 6.055 -5.356 1.270 1.00 0.00 C ATOM 45 CG TYR A 3 6.852 -6.111 0.205 1.00 0.00 C ATOM 46 CD1 TYR A 3 8.107 -5.665 -0.162 1.00 0.00 C ATOM 47 CD2 TYR A 3 6.319 -7.237 -0.388 1.00 0.00 C ATOM 48 CE1 TYR A 3 8.858 -6.376 -1.164 1.00 0.00 C ATOM 49 CE2 TYR A 3 7.071 -7.947 -1.390 1.00 0.00 C ATOM 50 CZ TYR A 3 8.303 -7.482 -1.729 1.00 0.00 C ATOM 51 OH TYR A 3 9.012 -8.154 -2.674 1.00 0.00 O ATOM 0 H TYR A 3 4.770 -4.509 3.176 1.00 0.00 H new ATOM 0 HA TYR A 3 6.480 -6.885 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.991 -5.482 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.271 -4.291 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.524 -4.784 0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.338 -7.586 -0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.840 -6.039 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.665 -8.830 -1.862 1.00 0.00 H new ATOM 0 HH TYR A 3 8.492 -8.923 -2.988 1.00 0.00 H new ATOM 60 N LYS A 4 7.473 -3.987 3.810 1.00 0.00 N ATOM 61 CA LYS A 4 8.612 -3.243 4.320 1.00 0.00 C ATOM 62 C LYS A 4 8.747 -3.493 5.823 1.00 0.00 C ATOM 63 O LYS A 4 9.731 -3.084 6.439 1.00 0.00 O ATOM 64 CB LYS A 4 8.495 -1.763 3.951 1.00 0.00 C ATOM 65 CG LYS A 4 9.054 -1.501 2.551 1.00 0.00 C ATOM 66 CD LYS A 4 9.699 -0.116 2.468 1.00 0.00 C ATOM 67 CE LYS A 4 8.667 0.948 2.094 1.00 0.00 C ATOM 68 NZ LYS A 4 9.169 2.300 2.431 1.00 0.00 N ATOM 0 H LYS A 4 6.568 -3.548 3.978 1.00 0.00 H new ATOM 0 HA LYS A 4 9.534 -3.591 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.450 -1.456 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.034 -1.159 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.791 -2.265 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.253 -1.578 1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.154 0.135 3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.499 -0.127 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.447 0.891 1.028 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.733 0.758 2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.455 3.010 2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.356 2.356 3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.048 2.484 1.907 1.00 0.00 H new ATOM 78 N GLY A 5 7.745 -4.163 6.372 1.00 0.00 N ATOM 79 CA GLY A 5 7.739 -4.472 7.791 1.00 0.00 C ATOM 80 C GLY A 5 9.052 -5.133 8.214 1.00 0.00 C ATOM 81 O GLY A 5 9.404 -5.127 9.393 1.00 0.00 O ATOM 0 H GLY A 5 6.931 -4.501 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.586 -3.558 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.904 -5.135 8.019 1.00 0.00 H new ATOM 85 N VAL A 6 9.743 -5.687 7.229 1.00 0.00 N ATOM 86 CA VAL A 6 11.010 -6.351 7.482 1.00 0.00 C ATOM 87 C VAL A 6 12.065 -5.304 7.847 1.00 0.00 C ATOM 88 O VAL A 6 12.949 -5.566 8.661 1.00 0.00 O ATOM 89 CB VAL A 6 11.406 -7.204 6.276 1.00 0.00 C ATOM 90 CG1 VAL A 6 10.263 -8.133 5.863 1.00 0.00 C ATOM 91 CG2 VAL A 6 11.847 -6.324 5.105 1.00 0.00 C ATOM 0 H VAL A 6 9.449 -5.690 6.252 1.00 0.00 H new ATOM 0 HA VAL A 6 10.921 -7.033 8.328 1.00 0.00 H new ATOM 0 HB VAL A 6 12.253 -7.825 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.571 -8.728 5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.014 -8.795 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.389 -7.539 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.123 -6.955 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.027 -5.667 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.705 -5.723 5.405 1.00 0.00 H new ATOM 101 N ILE A 7 11.937 -4.140 7.226 1.00 0.00 N ATOM 102 CA ILE A 7 12.868 -3.053 7.475 1.00 0.00 C ATOM 103 C ILE A 7 12.627 -2.491 8.876 1.00 0.00 C ATOM 104 O ILE A 7 13.531 -1.919 9.484 1.00 0.00 O ATOM 105 CB ILE A 7 12.773 -2.003 6.366 1.00 0.00 C ATOM 106 CG1 ILE A 7 13.071 -2.621 4.998 1.00 0.00 C ATOM 107 CG2 ILE A 7 13.681 -0.808 6.664 1.00 0.00 C ATOM 108 CD1 ILE A 7 12.635 -1.686 3.868 1.00 0.00 C ATOM 0 H ILE A 7 11.203 -3.926 6.551 1.00 0.00 H new ATOM 0 HA ILE A 7 13.895 -3.418 7.451 1.00 0.00 H new ATOM 0 HB ILE A 7 11.749 -1.631 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.138 -2.828 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.553 -3.576 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 7 13.595 -0.076 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.381 -0.349 7.606 1.00 0.00 H new ATOM 0 HG23 ILE A 7 14.715 -1.146 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.858 -2.149 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.563 -1.501 3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.173 -0.741 3.949 1.00 0.00 H new ATOM 119 N GLN A 8 11.403 -2.674 9.351 1.00 0.00 N ATOM 120 CA GLN A 8 11.031 -2.192 10.669 1.00 0.00 C ATOM 121 C GLN A 8 11.871 -2.885 11.744 1.00 0.00 C ATOM 122 O GLN A 8 12.466 -2.224 12.593 1.00 0.00 O ATOM 123 CB GLN A 8 9.537 -2.396 10.927 1.00 0.00 C ATOM 124 CG GLN A 8 9.152 -1.922 12.329 1.00 0.00 C ATOM 125 CD GLN A 8 8.100 -2.844 12.950 1.00 0.00 C ATOM 126 OE1 GLN A 8 7.146 -3.258 12.311 1.00 0.00 O ATOM 127 NE2 GLN A 8 8.325 -3.140 14.226 1.00 0.00 N ATOM 0 H GLN A 8 10.656 -3.150 8.845 1.00 0.00 H new ATOM 0 HA GLN A 8 11.231 -1.121 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.958 -1.849 10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.286 -3.451 10.814 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.038 -1.895 12.964 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.765 -0.904 12.279 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.143 -2.759 14.701 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.679 -3.748 14.730 1.00 0.00 H new ATOM 134 N ALA A 9 11.892 -4.208 11.671 1.00 0.00 N ATOM 135 CA ALA A 9 12.649 -4.998 12.628 1.00 0.00 C ATOM 136 C ALA A 9 14.144 -4.840 12.343 1.00 0.00 C ATOM 137 O ALA A 9 14.933 -4.608 13.257 1.00 0.00 O ATOM 138 CB ALA A 9 12.193 -6.457 12.560 1.00 0.00 C ATOM 0 H ALA A 9 11.397 -4.753 10.964 1.00 0.00 H new ATOM 0 HA ALA A 9 12.468 -4.647 13.644 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.761 -7.049 13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.131 -6.518 12.799 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.362 -6.845 11.555 1.00 0.00 H new ATOM 144 N ILE A 10 14.489 -4.974 11.070 1.00 0.00 N ATOM 145 CA ILE A 10 15.875 -4.848 10.653 1.00 0.00 C ATOM 146 C ILE A 10 16.428 -3.504 11.132 1.00 0.00 C ATOM 147 O ILE A 10 17.638 -3.346 11.282 1.00 0.00 O ATOM 148 CB ILE A 10 16.001 -5.063 9.143 1.00 0.00 C ATOM 149 CG1 ILE A 10 15.668 -6.508 8.765 1.00 0.00 C ATOM 150 CG2 ILE A 10 17.386 -4.644 8.644 1.00 0.00 C ATOM 151 CD1 ILE A 10 16.745 -7.469 9.271 1.00 0.00 C ATOM 0 H ILE A 10 13.832 -5.169 10.314 1.00 0.00 H new ATOM 0 HA ILE A 10 16.484 -5.625 11.115 1.00 0.00 H new ATOM 0 HB ILE A 10 15.272 -4.424 8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.702 -6.785 9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.579 -6.593 7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 10 17.450 -4.807 7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.547 -3.588 8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 10 18.149 -5.238 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.484 -8.489 8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.705 -7.205 8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.814 -7.399 10.357 1.00 0.00 H new ATOM 162 N GLN A 11 15.514 -2.572 11.358 1.00 0.00 N ATOM 163 CA GLN A 11 15.895 -1.247 11.816 1.00 0.00 C ATOM 164 C GLN A 11 15.908 -1.197 13.345 1.00 0.00 C ATOM 165 O GLN A 11 16.876 -0.736 13.947 1.00 0.00 O ATOM 166 CB GLN A 11 14.964 -0.178 11.240 1.00 0.00 C ATOM 167 CG GLN A 11 14.993 1.091 12.094 1.00 0.00 C ATOM 168 CD GLN A 11 16.390 1.714 12.105 1.00 0.00 C ATOM 169 OE1 GLN A 11 17.199 1.502 11.217 1.00 0.00 O ATOM 170 NE2 GLN A 11 16.627 2.492 13.158 1.00 0.00 N ATOM 0 H GLN A 11 14.511 -2.708 11.233 1.00 0.00 H new ATOM 0 HA GLN A 11 16.902 -1.036 11.457 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.264 0.059 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.946 -0.565 11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 11 14.273 1.811 11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.689 0.854 13.114 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.905 2.627 13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.531 2.954 13.258 1.00 0.00 H new ATOM 177 N LYS A 12 14.820 -1.679 13.929 1.00 0.00 N ATOM 178 CA LYS A 12 14.694 -1.696 15.377 1.00 0.00 C ATOM 179 C LYS A 12 15.805 -2.561 15.972 1.00 0.00 C ATOM 180 O LYS A 12 16.275 -2.301 17.079 1.00 0.00 O ATOM 181 CB LYS A 12 13.287 -2.134 15.786 1.00 0.00 C ATOM 182 CG LYS A 12 13.278 -2.690 17.211 1.00 0.00 C ATOM 183 CD LYS A 12 13.678 -4.167 17.226 1.00 0.00 C ATOM 184 CE LYS A 12 12.498 -5.051 17.636 1.00 0.00 C ATOM 185 NZ LYS A 12 11.940 -5.750 16.456 1.00 0.00 N ATOM 0 H LYS A 12 14.019 -2.060 13.426 1.00 0.00 H new ATOM 0 HA LYS A 12 14.821 -0.692 15.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.605 -1.287 15.718 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.923 -2.893 15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.966 -2.117 17.833 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.284 -2.574 17.644 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.032 -4.462 16.238 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.506 -4.316 17.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.823 -5.780 18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.725 -4.442 18.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.140 -6.346 16.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.612 -5.050 15.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.675 -6.346 16.026 1.00 0.00 H new ATOM 195 N SER A 13 16.195 -3.574 15.211 1.00 0.00 N ATOM 196 CA SER A 13 17.242 -4.480 15.650 1.00 0.00 C ATOM 197 C SER A 13 18.614 -3.844 15.419 1.00 0.00 C ATOM 198 O SER A 13 19.587 -4.203 16.080 1.00 0.00 O ATOM 199 CB SER A 13 17.150 -5.822 14.921 1.00 0.00 C ATOM 200 OG SER A 13 16.042 -6.599 15.369 1.00 0.00 O ATOM 0 H SER A 13 15.804 -3.787 14.293 1.00 0.00 H new ATOM 0 HA SER A 13 17.109 -4.666 16.716 1.00 0.00 H new ATOM 0 HB2 SER A 13 17.060 -5.647 13.849 1.00 0.00 H new ATOM 0 HB3 SER A 13 18.072 -6.382 15.076 1.00 0.00 H new ATOM 0 HG SER A 13 15.232 -6.319 14.893 1.00 0.00 H new ATOM 205 N ASP A 14 18.648 -2.911 14.479 1.00 0.00 N ATOM 206 CA ASP A 14 19.886 -2.221 14.154 1.00 0.00 C ATOM 207 C ASP A 14 20.178 -1.172 15.229 1.00 0.00 C ATOM 208 O ASP A 14 21.338 -0.881 15.517 1.00 0.00 O ATOM 209 CB ASP A 14 19.777 -1.501 12.808 1.00 0.00 C ATOM 210 CG ASP A 14 21.102 -0.991 12.240 1.00 0.00 C ATOM 211 OD1 ASP A 14 22.111 -1.707 12.420 1.00 0.00 O ATOM 212 OD2 ASP A 14 21.077 0.104 11.637 1.00 0.00 O ATOM 0 H ASP A 14 17.839 -2.616 13.932 1.00 0.00 H new ATOM 0 HA ASP A 14 20.683 -2.963 14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 19.326 -2.181 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 14 19.097 -0.656 12.919 1.00 0.00 H new ATOM 216 N GLU A 15 19.106 -0.634 15.792 1.00 0.00 N ATOM 217 CA GLU A 15 19.233 0.377 16.828 1.00 0.00 C ATOM 218 C GLU A 15 19.048 -0.255 18.210 1.00 0.00 C ATOM 219 O GLU A 15 19.607 0.225 19.195 1.00 0.00 O ATOM 220 CB GLU A 15 18.237 1.516 16.609 1.00 0.00 C ATOM 221 CG GLU A 15 18.912 2.713 15.936 1.00 0.00 C ATOM 222 CD GLU A 15 18.777 3.973 16.793 1.00 0.00 C ATOM 223 OE1 GLU A 15 17.627 4.443 16.933 1.00 0.00 O ATOM 224 OE2 GLU A 15 19.825 4.435 17.292 1.00 0.00 O ATOM 0 H GLU A 15 18.146 -0.879 15.550 1.00 0.00 H new ATOM 0 HA GLU A 15 20.236 0.801 16.774 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.409 1.166 15.992 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.814 1.823 17.566 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.967 2.494 15.769 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.464 2.885 14.957 1.00 0.00 H new ATOM 229 N GLY A 16 18.262 -1.321 18.238 1.00 0.00 N ATOM 230 CA GLY A 16 17.996 -2.022 19.482 1.00 0.00 C ATOM 231 C GLY A 16 17.868 -1.040 20.648 1.00 0.00 C ATOM 232 O GLY A 16 18.795 -0.887 21.441 1.00 0.00 O ATOM 0 H GLY A 16 17.801 -1.716 17.419 1.00 0.00 H new ATOM 0 HA2 GLY A 16 17.078 -2.602 19.388 1.00 0.00 H new ATOM 0 HA3 GLY A 16 18.800 -2.729 19.684 1.00 0.00 H new ATOM 236 N HIS A 17 16.710 -0.399 20.716 1.00 0.00 N ATOM 237 CA HIS A 17 16.448 0.564 21.773 1.00 0.00 C ATOM 238 C HIS A 17 15.206 0.139 22.558 1.00 0.00 C ATOM 239 O HIS A 17 14.327 -0.535 22.021 1.00 0.00 O ATOM 240 CB HIS A 17 16.332 1.979 21.201 1.00 0.00 C ATOM 241 CG HIS A 17 17.657 2.597 20.822 1.00 0.00 C ATOM 242 ND1 HIS A 17 18.820 2.376 21.539 1.00 0.00 N ATOM 243 CD2 HIS A 17 17.990 3.430 19.795 1.00 0.00 C ATOM 244 CE1 HIS A 17 19.803 3.051 20.960 1.00 0.00 C ATOM 245 NE2 HIS A 17 19.286 3.704 19.880 1.00 0.00 N ATOM 0 H HIS A 17 15.943 -0.528 20.056 1.00 0.00 H new ATOM 0 HA HIS A 17 17.286 0.583 22.469 1.00 0.00 H new ATOM 0 HB2 HIS A 17 15.690 1.953 20.321 1.00 0.00 H new ATOM 0 HB3 HIS A 17 15.841 2.618 21.935 1.00 0.00 H new ATOM 0 HD2 HIS A 17 17.314 3.804 19.040 1.00 0.00 H new ATOM 0 HE1 HIS A 17 20.832 3.079 21.286 1.00 0.00 H new ATOM 0 HE2 HIS A 17 19.809 4.304 19.242 1.00 0.00 H new ATOM 253 N PRO A 18 15.170 0.562 23.850 1.00 0.00 N ATOM 254 CA PRO A 18 14.050 0.231 24.714 1.00 0.00 C ATOM 255 C PRO A 18 12.823 1.078 24.369 1.00 0.00 C ATOM 256 O PRO A 18 11.790 0.543 23.967 1.00 0.00 O ATOM 257 CB PRO A 18 14.559 0.473 26.127 1.00 0.00 C ATOM 258 CG PRO A 18 15.780 1.367 25.982 1.00 0.00 C ATOM 259 CD PRO A 18 16.192 1.361 24.519 1.00 0.00 C ATOM 0 HA PRO A 18 13.717 -0.800 24.595 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.796 0.951 26.741 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.818 -0.466 26.615 1.00 0.00 H new ATOM 0 HG2 PRO A 18 15.552 2.381 26.310 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.595 1.005 26.609 1.00 0.00 H new ATOM 0 HD2 PRO A 18 16.232 2.372 24.115 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.183 0.926 24.388 1.00 0.00 H new ATOM 264 N PHE A 19 12.977 2.382 24.538 1.00 0.00 N ATOM 265 CA PHE A 19 11.893 3.307 24.249 1.00 0.00 C ATOM 266 C PHE A 19 11.382 3.123 22.818 1.00 0.00 C ATOM 267 O PHE A 19 10.270 3.534 22.495 1.00 0.00 O ATOM 268 CB PHE A 19 12.461 4.721 24.397 1.00 0.00 C ATOM 269 CG PHE A 19 13.547 5.065 23.376 1.00 0.00 C ATOM 270 CD1 PHE A 19 13.201 5.528 22.145 1.00 0.00 C ATOM 271 CD2 PHE A 19 14.859 4.908 23.699 1.00 0.00 C ATOM 272 CE1 PHE A 19 14.209 5.849 21.197 1.00 0.00 C ATOM 273 CE2 PHE A 19 15.867 5.230 22.752 1.00 0.00 C ATOM 274 CZ PHE A 19 15.521 5.693 21.521 1.00 0.00 C ATOM 0 H PHE A 19 13.835 2.821 24.871 1.00 0.00 H new ATOM 0 HA PHE A 19 11.060 3.129 24.929 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.647 5.440 24.303 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.871 4.834 25.401 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.159 5.652 21.888 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.134 4.538 24.676 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.934 6.217 20.219 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.909 5.107 23.009 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.288 5.937 20.801 1.00 0.00 H new ATOM 283 N ARG A 20 12.221 2.504 22.000 1.00 0.00 N ATOM 284 CA ARG A 20 11.869 2.260 20.611 1.00 0.00 C ATOM 285 C ARG A 20 10.684 1.295 20.527 1.00 0.00 C ATOM 286 O ARG A 20 9.690 1.583 19.862 1.00 0.00 O ATOM 287 CB ARG A 20 13.051 1.675 19.838 1.00 0.00 C ATOM 288 CG ARG A 20 13.717 2.741 18.965 1.00 0.00 C ATOM 289 CD ARG A 20 12.813 3.135 17.795 1.00 0.00 C ATOM 290 NE ARG A 20 12.564 4.594 17.817 1.00 0.00 N ATOM 291 CZ ARG A 20 11.952 5.266 16.832 1.00 0.00 C ATOM 292 NH1 ARG A 20 11.524 4.615 15.742 1.00 0.00 N ATOM 293 NH2 ARG A 20 11.769 6.589 16.938 1.00 0.00 N ATOM 0 H ARG A 20 13.143 2.164 22.272 1.00 0.00 H new ATOM 0 HA ARG A 20 11.596 3.216 20.164 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.780 1.265 20.537 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.709 0.850 19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.942 3.621 19.568 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.666 2.364 18.585 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.280 2.852 16.852 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.868 2.595 17.857 1.00 0.00 H new ATOM 0 HE ARG A 20 12.878 5.121 18.632 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.664 3.608 15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.058 5.127 14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.095 7.084 17.768 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.303 7.101 16.189 1.00 0.00 H new ATOM 304 N ALA A 21 10.829 0.168 21.209 1.00 0.00 N ATOM 305 CA ALA A 21 9.785 -0.841 21.218 1.00 0.00 C ATOM 306 C ALA A 21 8.485 -0.218 21.733 1.00 0.00 C ATOM 307 O ALA A 21 7.406 -0.513 21.220 1.00 0.00 O ATOM 308 CB ALA A 21 10.235 -2.034 22.065 1.00 0.00 C ATOM 0 H ALA A 21 11.655 -0.068 21.759 1.00 0.00 H new ATOM 0 HA ALA A 21 9.598 -1.209 20.209 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.451 -2.792 22.072 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.146 -2.458 21.642 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.429 -1.703 23.085 1.00 0.00 H new ATOM 314 N TYR A 22 8.631 0.631 22.739 1.00 0.00 N ATOM 315 CA TYR A 22 7.483 1.298 23.329 1.00 0.00 C ATOM 316 C TYR A 22 6.679 2.048 22.266 1.00 0.00 C ATOM 317 O TYR A 22 5.477 2.258 22.423 1.00 0.00 O ATOM 318 CB TYR A 22 8.048 2.306 24.331 1.00 0.00 C ATOM 319 CG TYR A 22 8.001 1.832 25.785 1.00 0.00 C ATOM 320 CD1 TYR A 22 8.609 0.647 26.145 1.00 0.00 C ATOM 321 CD2 TYR A 22 7.350 2.591 26.737 1.00 0.00 C ATOM 322 CE1 TYR A 22 8.564 0.201 27.513 1.00 0.00 C ATOM 323 CE2 TYR A 22 7.305 2.145 28.105 1.00 0.00 C ATOM 324 CZ TYR A 22 7.915 0.973 28.426 1.00 0.00 C ATOM 325 OH TYR A 22 7.872 0.552 29.719 1.00 0.00 O ATOM 0 H TYR A 22 9.528 0.873 23.161 1.00 0.00 H new ATOM 0 HA TYR A 22 6.817 0.573 23.797 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.082 2.527 24.065 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.491 3.239 24.246 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.119 0.054 25.400 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.875 3.519 26.455 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.035 -0.725 27.808 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.798 2.728 28.859 1.00 0.00 H new ATOM 0 HH TYR A 22 7.377 1.203 30.259 1.00 0.00 H new ATOM 334 N LEU A 23 7.375 2.434 21.206 1.00 0.00 N ATOM 335 CA LEU A 23 6.743 3.157 20.117 1.00 0.00 C ATOM 336 C LEU A 23 6.020 2.166 19.203 1.00 0.00 C ATOM 337 O LEU A 23 4.817 2.287 18.977 1.00 0.00 O ATOM 338 CB LEU A 23 7.765 4.032 19.388 1.00 0.00 C ATOM 339 CG LEU A 23 7.594 5.544 19.554 1.00 0.00 C ATOM 340 CD1 LEU A 23 8.875 6.286 19.168 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.381 6.047 18.768 1.00 0.00 C ATOM 0 H LEU A 23 8.372 2.259 21.079 1.00 0.00 H new ATOM 0 HA LEU A 23 5.989 3.843 20.504 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.761 3.759 19.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.723 3.796 18.325 1.00 0.00 H new ATOM 0 HG LEU A 23 7.406 5.754 20.607 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.727 7.358 19.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.694 5.955 19.807 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.118 6.074 18.127 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.281 7.124 18.902 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.516 5.824 17.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.481 5.551 19.131 1.00 0.00 H new ATOM 352 N GLU A 24 6.784 1.206 18.703 1.00 0.00 N ATOM 353 CA GLU A 24 6.232 0.193 17.819 1.00 0.00 C ATOM 354 C GLU A 24 5.163 -0.623 18.550 1.00 0.00 C ATOM 355 O GLU A 24 4.245 -1.151 17.924 1.00 0.00 O ATOM 356 CB GLU A 24 7.334 -0.714 17.270 1.00 0.00 C ATOM 357 CG GLU A 24 8.336 0.084 16.433 1.00 0.00 C ATOM 358 CD GLU A 24 7.807 0.316 15.017 1.00 0.00 C ATOM 359 OE1 GLU A 24 7.573 -0.699 14.325 1.00 0.00 O ATOM 360 OE2 GLU A 24 7.647 1.503 14.659 1.00 0.00 O ATOM 0 H GLU A 24 7.781 1.108 18.893 1.00 0.00 H new ATOM 0 HA GLU A 24 5.763 0.693 16.972 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.852 -1.203 18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.891 -1.502 16.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.534 1.043 16.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.285 -0.451 16.387 1.00 0.00 H new ATOM 365 N SER A 25 5.317 -0.700 19.863 1.00 0.00 N ATOM 366 CA SER A 25 4.377 -1.442 20.685 1.00 0.00 C ATOM 367 C SER A 25 3.033 -0.712 20.732 1.00 0.00 C ATOM 368 O SER A 25 1.980 -1.345 20.786 1.00 0.00 O ATOM 369 CB SER A 25 4.922 -1.643 22.101 1.00 0.00 C ATOM 370 OG SER A 25 5.864 -2.710 22.163 1.00 0.00 O ATOM 0 H SER A 25 6.079 -0.260 20.379 1.00 0.00 H new ATOM 0 HA SER A 25 4.234 -2.425 20.237 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.394 -0.722 22.442 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.096 -1.848 22.782 1.00 0.00 H new ATOM 0 HG SER A 25 6.746 -2.384 21.886 1.00 0.00 H new ATOM 375 N GLU A 26 3.113 0.611 20.710 1.00 0.00 N ATOM 376 CA GLU A 26 1.917 1.434 20.750 1.00 0.00 C ATOM 377 C GLU A 26 1.076 1.208 19.492 1.00 0.00 C ATOM 378 O GLU A 26 -0.134 1.432 19.501 1.00 0.00 O ATOM 379 CB GLU A 26 2.273 2.912 20.913 1.00 0.00 C ATOM 380 CG GLU A 26 1.254 3.627 21.804 1.00 0.00 C ATOM 381 CD GLU A 26 1.955 4.485 22.859 1.00 0.00 C ATOM 382 OE1 GLU A 26 2.640 5.445 22.446 1.00 0.00 O ATOM 383 OE2 GLU A 26 1.787 4.162 24.054 1.00 0.00 O ATOM 0 H GLU A 26 3.988 1.133 20.665 1.00 0.00 H new ATOM 0 HA GLU A 26 1.326 1.140 21.617 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.269 3.004 21.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.306 3.392 19.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.607 4.254 21.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.615 2.892 22.294 1.00 0.00 H new ATOM 388 N VAL A 27 1.750 0.767 18.439 1.00 0.00 N ATOM 389 CA VAL A 27 1.079 0.510 17.177 1.00 0.00 C ATOM 390 C VAL A 27 0.400 -0.859 17.235 1.00 0.00 C ATOM 391 O VAL A 27 -0.807 -0.968 17.019 1.00 0.00 O ATOM 392 CB VAL A 27 2.075 0.634 16.021 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.505 0.022 14.738 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.479 2.093 15.801 1.00 0.00 C ATOM 0 H VAL A 27 2.753 0.582 18.435 1.00 0.00 H new ATOM 0 HA VAL A 27 0.300 1.252 17.000 1.00 0.00 H new ATOM 0 HB VAL A 27 2.972 0.075 16.289 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.232 0.123 13.932 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.290 -1.034 14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.586 0.541 14.465 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.187 2.154 14.974 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.594 2.684 15.565 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.944 2.482 16.707 1.00 0.00 H new ATOM 404 N ALA A 28 1.204 -1.871 17.527 1.00 0.00 N ATOM 405 CA ALA A 28 0.695 -3.230 17.617 1.00 0.00 C ATOM 406 C ALA A 28 -0.511 -3.257 18.559 1.00 0.00 C ATOM 407 O ALA A 28 -1.495 -3.945 18.293 1.00 0.00 O ATOM 408 CB ALA A 28 1.814 -4.166 18.076 1.00 0.00 C ATOM 0 H ALA A 28 2.204 -1.778 17.704 1.00 0.00 H new ATOM 0 HA ALA A 28 0.359 -3.579 16.641 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.432 -5.185 18.143 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.634 -4.133 17.358 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.175 -3.849 19.054 1.00 0.00 H new ATOM 414 N ILE A 29 -0.395 -2.500 19.640 1.00 0.00 N ATOM 415 CA ILE A 29 -1.462 -2.429 20.622 1.00 0.00 C ATOM 416 C ILE A 29 -2.782 -2.115 19.914 1.00 0.00 C ATOM 417 O ILE A 29 -3.853 -2.458 20.410 1.00 0.00 O ATOM 418 CB ILE A 29 -1.107 -1.433 21.728 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.730 -1.850 23.062 1.00 0.00 C ATOM 420 CG2 ILE A 29 -1.503 -0.009 21.331 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.254 -1.934 22.953 1.00 0.00 C ATOM 0 H ILE A 29 0.423 -1.930 19.857 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.587 -3.391 21.118 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.025 -1.441 21.861 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.330 -2.817 23.368 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.456 -1.132 23.835 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.240 0.679 22.134 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.974 0.276 20.421 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.578 0.034 21.154 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.672 -2.232 23.915 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.653 -0.960 22.671 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.525 -2.670 22.196 1.00 0.00 H new ATOM 432 N SER A 30 -2.660 -1.467 18.764 1.00 0.00 N ATOM 433 CA SER A 30 -3.829 -1.105 17.981 1.00 0.00 C ATOM 434 C SER A 30 -4.451 -2.356 17.359 1.00 0.00 C ATOM 435 O SER A 30 -5.660 -2.408 17.137 1.00 0.00 O ATOM 436 CB SER A 30 -3.471 -0.092 16.892 1.00 0.00 C ATOM 437 OG SER A 30 -2.424 0.784 17.302 1.00 0.00 O ATOM 0 H SER A 30 -1.769 -1.184 18.356 1.00 0.00 H new ATOM 0 HA SER A 30 -4.555 -0.639 18.647 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.168 -0.622 15.989 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.354 0.493 16.636 1.00 0.00 H new ATOM 0 HG SER A 30 -1.588 0.524 16.861 1.00 0.00 H new ATOM 442 N GLU A 31 -3.597 -3.334 17.096 1.00 0.00 N ATOM 443 CA GLU A 31 -4.049 -4.582 16.503 1.00 0.00 C ATOM 444 C GLU A 31 -5.133 -5.220 17.373 1.00 0.00 C ATOM 445 O GLU A 31 -5.956 -5.989 16.879 1.00 0.00 O ATOM 446 CB GLU A 31 -2.878 -5.544 16.292 1.00 0.00 C ATOM 447 CG GLU A 31 -3.368 -6.903 15.790 1.00 0.00 C ATOM 448 CD GLU A 31 -2.216 -7.908 15.715 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.913 -8.503 16.772 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.666 -8.057 14.603 1.00 0.00 O ATOM 0 H GLU A 31 -2.595 -3.288 17.282 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.477 -4.363 15.525 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.178 -5.118 15.573 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.335 -5.672 17.228 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.144 -7.282 16.455 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.821 -6.789 14.805 1.00 0.00 H new ATOM 455 N GLU A 32 -5.098 -4.880 18.652 1.00 0.00 N ATOM 456 CA GLU A 32 -6.068 -5.410 19.595 1.00 0.00 C ATOM 457 C GLU A 32 -7.388 -4.645 19.487 1.00 0.00 C ATOM 458 O GLU A 32 -8.460 -5.220 19.669 1.00 0.00 O ATOM 459 CB GLU A 32 -5.524 -5.365 21.025 1.00 0.00 C ATOM 460 CG GLU A 32 -5.708 -6.714 21.724 1.00 0.00 C ATOM 461 CD GLU A 32 -5.122 -6.683 23.137 1.00 0.00 C ATOM 462 OE1 GLU A 32 -4.007 -6.133 23.277 1.00 0.00 O ATOM 463 OE2 GLU A 32 -5.799 -7.211 24.044 1.00 0.00 O ATOM 0 H GLU A 32 -4.413 -4.243 19.058 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.255 -6.454 19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.466 -5.102 21.008 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.037 -4.586 21.589 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.768 -6.962 21.771 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.223 -7.498 21.142 1.00 0.00 H new ATOM 468 N LEU A 33 -7.267 -3.359 19.191 1.00 0.00 N ATOM 469 CA LEU A 33 -8.438 -2.508 19.056 1.00 0.00 C ATOM 470 C LEU A 33 -9.456 -3.193 18.141 1.00 0.00 C ATOM 471 O LEU A 33 -10.638 -3.270 18.471 1.00 0.00 O ATOM 472 CB LEU A 33 -8.032 -1.109 18.588 1.00 0.00 C ATOM 473 CG LEU A 33 -8.234 0.021 19.599 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.680 0.059 20.096 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.234 -0.091 20.752 1.00 0.00 C ATOM 0 H LEU A 33 -6.376 -2.885 19.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.922 -2.367 20.023 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.980 -1.133 18.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.598 -0.870 17.688 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.041 0.969 19.096 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.797 0.871 20.814 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.351 0.221 19.252 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.924 -0.888 20.577 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.399 0.724 21.457 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.371 -1.045 21.261 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.219 -0.032 20.360 1.00 0.00 H new ATOM 486 N VAL A 34 -8.960 -3.670 17.009 1.00 0.00 N ATOM 487 CA VAL A 34 -9.812 -4.344 16.044 1.00 0.00 C ATOM 488 C VAL A 34 -10.330 -5.649 16.652 1.00 0.00 C ATOM 489 O VAL A 34 -11.389 -6.141 16.265 1.00 0.00 O ATOM 490 CB VAL A 34 -9.053 -4.555 14.733 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.743 -5.310 14.973 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.924 -5.281 13.706 1.00 0.00 C ATOM 0 H VAL A 34 -7.979 -3.603 16.738 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.680 -3.729 15.806 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.805 -3.574 14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.223 -5.447 14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.113 -4.738 15.653 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.960 -6.284 15.412 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.360 -5.418 12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.217 -6.254 14.100 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.816 -4.689 13.502 1.00 0.00 H new ATOM 502 N GLN A 35 -9.560 -6.173 17.594 1.00 0.00 N ATOM 503 CA GLN A 35 -9.928 -7.411 18.259 1.00 0.00 C ATOM 504 C GLN A 35 -10.950 -7.137 19.364 1.00 0.00 C ATOM 505 O GLN A 35 -11.680 -8.037 19.776 1.00 0.00 O ATOM 506 CB GLN A 35 -8.693 -8.120 18.819 1.00 0.00 C ATOM 507 CG GLN A 35 -8.035 -8.997 17.752 1.00 0.00 C ATOM 508 CD GLN A 35 -6.551 -9.216 18.061 1.00 0.00 C ATOM 509 OE1 GLN A 35 -6.146 -9.385 19.199 1.00 0.00 O ATOM 510 NE2 GLN A 35 -5.768 -9.203 16.987 1.00 0.00 N ATOM 0 H GLN A 35 -8.682 -5.762 17.913 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.385 -8.073 17.524 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.977 -7.381 19.180 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.977 -8.733 19.674 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.545 -9.959 17.701 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.141 -8.528 16.774 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.173 -9.056 16.062 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.762 -9.340 17.087 1.00 0.00 H new ATOM 517 N LYS A 36 -10.969 -5.890 19.812 1.00 0.00 N ATOM 518 CA LYS A 36 -11.890 -5.486 20.861 1.00 0.00 C ATOM 519 C LYS A 36 -13.299 -5.363 20.277 1.00 0.00 C ATOM 520 O LYS A 36 -14.287 -5.504 20.995 1.00 0.00 O ATOM 521 CB LYS A 36 -11.395 -4.211 21.547 1.00 0.00 C ATOM 522 CG LYS A 36 -10.993 -4.490 22.996 1.00 0.00 C ATOM 523 CD LYS A 36 -10.898 -3.191 23.799 1.00 0.00 C ATOM 524 CE LYS A 36 -10.370 -3.456 25.210 1.00 0.00 C ATOM 525 NZ LYS A 36 -9.910 -2.195 25.836 1.00 0.00 N ATOM 0 H LYS A 36 -10.362 -5.146 19.468 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.934 -6.244 21.643 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.543 -3.807 21.001 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.178 -3.453 21.522 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.723 -5.155 23.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.033 -5.006 23.018 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.240 -2.490 23.286 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.880 -2.722 23.857 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.153 -3.907 25.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.547 -4.170 25.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.555 -2.392 26.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.148 -1.780 25.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.704 -1.526 25.893 1.00 0.00 H new ATOM 535 N TYR A 37 -13.346 -5.100 18.979 1.00 0.00 N ATOM 536 CA TYR A 37 -14.617 -4.956 18.290 1.00 0.00 C ATOM 537 C TYR A 37 -15.456 -6.230 18.415 1.00 0.00 C ATOM 538 O TYR A 37 -16.682 -6.183 18.312 1.00 0.00 O ATOM 539 CB TYR A 37 -14.275 -4.727 16.817 1.00 0.00 C ATOM 540 CG TYR A 37 -15.232 -5.415 15.842 1.00 0.00 C ATOM 541 CD1 TYR A 37 -15.241 -6.791 15.739 1.00 0.00 C ATOM 542 CD2 TYR A 37 -16.087 -4.660 15.064 1.00 0.00 C ATOM 543 CE1 TYR A 37 -16.142 -7.439 14.820 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.987 -5.307 14.147 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.970 -6.665 14.069 1.00 0.00 C ATOM 546 OH TYR A 37 -17.821 -7.276 13.203 1.00 0.00 O ATOM 0 H TYR A 37 -12.524 -4.983 18.386 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.194 -4.136 18.717 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.277 -3.656 16.617 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.263 -5.085 16.630 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.573 -7.382 16.347 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.080 -3.583 15.144 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.159 -8.515 14.730 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.661 -4.727 13.534 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.508 -6.639 12.915 1.00 0.00 H new ATOM 555 N SER A 38 -14.763 -7.337 18.634 1.00 0.00 N ATOM 556 CA SER A 38 -15.428 -8.621 18.773 1.00 0.00 C ATOM 557 C SER A 38 -16.181 -8.679 20.104 1.00 0.00 C ATOM 558 O SER A 38 -17.347 -9.067 20.145 1.00 0.00 O ATOM 559 CB SER A 38 -14.427 -9.774 18.679 1.00 0.00 C ATOM 560 OG SER A 38 -14.651 -10.584 17.529 1.00 0.00 O ATOM 0 H SER A 38 -13.747 -7.372 18.719 1.00 0.00 H new ATOM 0 HA SER A 38 -16.140 -8.727 17.955 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.414 -9.373 18.648 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.498 -10.390 19.575 1.00 0.00 H new ATOM 0 HG SER A 38 -13.990 -11.307 17.505 1.00 0.00 H new ATOM 565 N ASN A 39 -15.482 -8.287 21.159 1.00 0.00 N ATOM 566 CA ASN A 39 -16.070 -8.290 22.489 1.00 0.00 C ATOM 567 C ASN A 39 -16.899 -7.018 22.677 1.00 0.00 C ATOM 568 O ASN A 39 -17.842 -6.998 23.468 1.00 0.00 O ATOM 569 CB ASN A 39 -14.987 -8.313 23.570 1.00 0.00 C ATOM 570 CG ASN A 39 -14.231 -9.643 23.559 1.00 0.00 C ATOM 571 OD1 ASN A 39 -13.497 -9.962 22.638 1.00 0.00 O ATOM 572 ND2 ASN A 39 -14.449 -10.398 24.631 1.00 0.00 N ATOM 0 H ASN A 39 -14.515 -7.965 21.121 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.691 -9.181 22.582 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.289 -7.492 23.408 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.441 -8.157 24.548 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.989 -11.304 24.718 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.076 -10.071 25.366 1.00 0.00 H new ATOM 578 N SER A 40 -16.519 -5.987 21.938 1.00 0.00 N ATOM 579 CA SER A 40 -17.215 -4.714 22.014 1.00 0.00 C ATOM 580 C SER A 40 -18.501 -4.771 21.186 1.00 0.00 C ATOM 581 O SER A 40 -19.457 -4.051 21.468 1.00 0.00 O ATOM 582 CB SER A 40 -16.324 -3.568 21.530 1.00 0.00 C ATOM 583 OG SER A 40 -15.345 -3.208 22.501 1.00 0.00 O ATOM 0 H SER A 40 -15.737 -6.007 21.283 1.00 0.00 H new ATOM 0 HA SER A 40 -17.469 -4.525 23.057 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.827 -3.861 20.605 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.942 -2.700 21.299 1.00 0.00 H new ATOM 0 HG SER A 40 -14.568 -3.799 22.416 1.00 0.00 H new ATOM 588 N ALA A 41 -18.482 -5.634 20.181 1.00 0.00 N ATOM 589 CA ALA A 41 -19.634 -5.794 19.310 1.00 0.00 C ATOM 590 C ALA A 41 -20.777 -6.438 20.097 1.00 0.00 C ATOM 591 O ALA A 41 -21.892 -6.561 19.592 1.00 0.00 O ATOM 592 CB ALA A 41 -19.236 -6.615 18.082 1.00 0.00 C ATOM 0 H ALA A 41 -17.687 -6.230 19.950 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.984 -4.825 18.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.100 -6.735 17.429 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.442 -6.100 17.542 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -18.882 -7.596 18.399 1.00 0.00 H new ATOM 598 N LEU A 42 -20.460 -6.833 21.322 1.00 0.00 N ATOM 599 CA LEU A 42 -21.446 -7.462 22.184 1.00 0.00 C ATOM 600 C LEU A 42 -22.801 -6.781 21.984 1.00 0.00 C ATOM 601 O LEU A 42 -23.792 -7.440 21.676 1.00 0.00 O ATOM 602 CB LEU A 42 -20.966 -7.462 23.637 1.00 0.00 C ATOM 603 CG LEU A 42 -20.700 -6.089 24.255 1.00 0.00 C ATOM 604 CD1 LEU A 42 -21.968 -5.520 24.894 1.00 0.00 C ATOM 605 CD2 LEU A 42 -19.536 -6.150 25.245 1.00 0.00 C ATOM 0 H LEU A 42 -19.534 -6.729 21.738 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.573 -8.511 21.915 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.712 -7.974 24.245 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.049 -8.049 23.696 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.408 -5.406 23.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.751 -4.543 25.326 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.743 -5.417 24.135 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -22.315 -6.194 25.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.368 -5.161 25.670 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.774 -6.852 26.044 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.635 -6.481 24.728 1.00 0.00 H new ATOM 616 N GLY A 43 -22.800 -5.469 22.167 1.00 0.00 N ATOM 617 CA GLY A 43 -24.017 -4.690 22.011 1.00 0.00 C ATOM 618 C GLY A 43 -23.905 -3.732 20.824 1.00 0.00 C ATOM 619 O GLY A 43 -24.768 -3.720 19.947 1.00 0.00 O ATOM 0 H GLY A 43 -21.976 -4.925 22.422 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.865 -5.359 21.865 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.211 -4.125 22.923 1.00 0.00 H new ATOM 623 N HIS A 44 -22.835 -2.950 20.833 1.00 0.00 N ATOM 624 CA HIS A 44 -22.600 -1.990 19.768 1.00 0.00 C ATOM 625 C HIS A 44 -21.472 -1.038 20.175 1.00 0.00 C ATOM 626 O HIS A 44 -21.558 0.166 19.942 1.00 0.00 O ATOM 627 CB HIS A 44 -23.892 -1.257 19.403 1.00 0.00 C ATOM 628 CG HIS A 44 -24.415 -1.585 18.025 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.547 -2.781 17.383 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -24.876 -0.618 17.148 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -25.060 -2.557 16.179 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -25.264 -1.217 16.032 1.00 0.00 N flip ATOM 0 H HIS A 44 -22.121 -2.962 21.561 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.280 -2.512 18.866 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.657 -1.503 20.139 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.719 -0.183 19.469 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -24.294 -3.693 17.763 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -24.913 0.444 17.341 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -25.279 -3.312 15.438 1.00 0.00 H new ATOM 640 N VAL A 45 -20.442 -1.616 20.776 1.00 0.00 N ATOM 641 CA VAL A 45 -19.299 -0.834 21.216 1.00 0.00 C ATOM 642 C VAL A 45 -18.166 -0.977 20.199 1.00 0.00 C ATOM 643 O VAL A 45 -17.307 -0.102 20.094 1.00 0.00 O ATOM 644 CB VAL A 45 -18.891 -1.256 22.629 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.880 -0.274 23.224 1.00 0.00 C ATOM 646 CG2 VAL A 45 -20.116 -1.398 23.535 1.00 0.00 C ATOM 0 H VAL A 45 -20.375 -2.615 20.968 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.557 0.224 21.268 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.410 -2.232 22.561 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.607 -0.597 24.228 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.989 -0.245 22.597 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.323 0.721 23.271 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.797 -1.699 24.533 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.638 -0.443 23.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.786 -2.154 23.125 1.00 0.00 H new ATOM 656 N ASN A 46 -18.200 -2.086 19.475 1.00 0.00 N ATOM 657 CA ASN A 46 -17.186 -2.354 18.469 1.00 0.00 C ATOM 658 C ASN A 46 -17.134 -1.189 17.480 1.00 0.00 C ATOM 659 O ASN A 46 -16.114 -0.970 16.826 1.00 0.00 O ATOM 660 CB ASN A 46 -17.512 -3.627 17.684 1.00 0.00 C ATOM 661 CG ASN A 46 -18.540 -3.345 16.587 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.242 -3.350 15.403 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.765 -3.099 17.043 1.00 0.00 N ATOM 0 H ASN A 46 -18.914 -2.809 19.565 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.231 -2.479 18.978 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.601 -4.028 17.240 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.898 -4.388 18.362 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.522 -2.899 16.389 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.947 -3.110 18.046 1.00 0.00 H new ATOM 669 N CYS A 47 -18.245 -0.471 17.401 1.00 0.00 N ATOM 670 CA CYS A 47 -18.339 0.667 16.503 1.00 0.00 C ATOM 671 C CYS A 47 -17.697 1.875 17.188 1.00 0.00 C ATOM 672 O CYS A 47 -17.163 2.760 16.522 1.00 0.00 O ATOM 673 CB CYS A 47 -19.786 0.946 16.091 1.00 0.00 C ATOM 674 SG CYS A 47 -20.661 1.821 17.438 1.00 0.00 S ATOM 0 H CYS A 47 -19.088 -0.656 17.945 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.804 0.448 15.579 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.805 1.548 15.183 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.295 0.010 15.863 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.954 0.979 18.384 1.00 0.00 H new ATOM 679 N THR A 48 -17.772 1.872 18.511 1.00 0.00 N ATOM 680 CA THR A 48 -17.205 2.957 19.294 1.00 0.00 C ATOM 681 C THR A 48 -15.718 2.706 19.556 1.00 0.00 C ATOM 682 O THR A 48 -14.932 3.648 19.647 1.00 0.00 O ATOM 683 CB THR A 48 -18.031 3.097 20.575 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.236 3.724 20.143 1.00 0.00 O ATOM 685 CG2 THR A 48 -17.421 4.099 21.558 1.00 0.00 C ATOM 0 H THR A 48 -18.216 1.136 19.060 1.00 0.00 H new ATOM 0 HA THR A 48 -17.253 3.902 18.753 1.00 0.00 H new ATOM 0 HB THR A 48 -18.121 2.124 21.058 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.676 3.161 19.472 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.046 4.161 22.449 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.420 3.771 21.838 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.362 5.081 21.088 1.00 0.00 H new ATOM 693 N ILE A 49 -15.377 1.431 19.667 1.00 0.00 N ATOM 694 CA ILE A 49 -13.998 1.044 19.916 1.00 0.00 C ATOM 695 C ILE A 49 -13.214 1.097 18.603 1.00 0.00 C ATOM 696 O ILE A 49 -12.050 1.495 18.586 1.00 0.00 O ATOM 697 CB ILE A 49 -13.940 -0.316 20.613 1.00 0.00 C ATOM 698 CG1 ILE A 49 -14.122 -1.455 19.607 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.956 -0.392 21.754 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.776 -1.899 19.031 1.00 0.00 C ATOM 0 H ILE A 49 -16.031 0.652 19.589 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.523 1.746 20.601 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.951 -0.431 21.055 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.610 -2.300 20.093 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.778 -1.130 18.799 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.893 -1.369 22.232 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.739 0.385 22.487 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.961 -0.246 21.357 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.934 -2.709 18.319 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.302 -1.058 18.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.131 -2.246 19.838 1.00 0.00 H new ATOM 711 N LYS A 50 -13.883 0.691 17.535 1.00 0.00 N ATOM 712 CA LYS A 50 -13.263 0.686 16.220 1.00 0.00 C ATOM 713 C LYS A 50 -12.760 2.094 15.894 1.00 0.00 C ATOM 714 O LYS A 50 -11.567 2.294 15.668 1.00 0.00 O ATOM 715 CB LYS A 50 -14.227 0.120 15.175 1.00 0.00 C ATOM 716 CG LYS A 50 -14.166 -1.408 15.143 1.00 0.00 C ATOM 717 CD LYS A 50 -13.246 -1.897 14.023 1.00 0.00 C ATOM 718 CE LYS A 50 -12.598 -3.233 14.390 1.00 0.00 C ATOM 719 NZ LYS A 50 -13.259 -4.345 13.671 1.00 0.00 N ATOM 0 H LYS A 50 -14.849 0.363 17.552 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.396 0.026 16.210 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.244 0.442 15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.977 0.518 14.191 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.807 -1.781 16.102 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.168 -1.812 14.998 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.817 -2.007 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.472 -1.153 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.537 -3.210 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.669 -3.395 15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.774 -5.238 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.254 -4.408 13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.214 -4.171 12.647 1.00 0.00 H new ATOM 729 N GLU A 51 -13.694 3.033 15.881 1.00 0.00 N ATOM 730 CA GLU A 51 -13.360 4.417 15.587 1.00 0.00 C ATOM 731 C GLU A 51 -12.325 4.938 16.586 1.00 0.00 C ATOM 732 O GLU A 51 -11.597 5.885 16.294 1.00 0.00 O ATOM 733 CB GLU A 51 -14.612 5.295 15.587 1.00 0.00 C ATOM 734 CG GLU A 51 -14.974 5.734 17.007 1.00 0.00 C ATOM 735 CD GLU A 51 -14.503 7.164 17.277 1.00 0.00 C ATOM 736 OE1 GLU A 51 -15.181 8.089 16.780 1.00 0.00 O ATOM 737 OE2 GLU A 51 -13.473 7.300 17.973 1.00 0.00 O ATOM 0 H GLU A 51 -14.682 2.863 16.069 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.926 4.461 14.588 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.445 6.173 14.963 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.445 4.746 15.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.053 5.671 17.147 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.519 5.055 17.728 1.00 0.00 H new ATOM 742 N LEU A 52 -12.291 4.294 17.744 1.00 0.00 N ATOM 743 CA LEU A 52 -11.357 4.680 18.787 1.00 0.00 C ATOM 744 C LEU A 52 -9.988 4.957 18.164 1.00 0.00 C ATOM 745 O LEU A 52 -9.509 6.090 18.188 1.00 0.00 O ATOM 746 CB LEU A 52 -11.327 3.626 19.896 1.00 0.00 C ATOM 747 CG LEU A 52 -10.917 4.122 21.283 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.117 4.701 22.035 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.221 3.016 22.079 1.00 0.00 C ATOM 0 H LEU A 52 -12.895 3.508 17.982 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.681 5.604 19.266 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.318 3.178 19.971 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.640 2.834 19.598 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.196 4.929 21.157 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.798 5.046 23.018 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.529 5.539 21.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.880 3.931 22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.940 3.396 23.061 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.899 2.171 22.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.327 2.692 21.546 1.00 0.00 H new ATOM 760 N ARG A 53 -9.397 3.903 17.621 1.00 0.00 N ATOM 761 CA ARG A 53 -8.092 4.019 16.993 1.00 0.00 C ATOM 762 C ARG A 53 -8.247 4.296 15.496 1.00 0.00 C ATOM 763 O ARG A 53 -7.926 5.388 15.027 1.00 0.00 O ATOM 764 CB ARG A 53 -7.272 2.741 17.185 1.00 0.00 C ATOM 765 CG ARG A 53 -6.224 2.590 16.081 1.00 0.00 C ATOM 766 CD ARG A 53 -6.683 1.583 15.024 1.00 0.00 C ATOM 767 NE ARG A 53 -5.582 0.645 14.709 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.456 0.995 14.073 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.274 2.263 13.681 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.512 0.076 13.829 1.00 0.00 N ATOM 0 H ARG A 53 -9.798 2.965 17.603 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.568 4.848 17.468 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.780 2.763 18.157 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.935 1.876 17.183 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.042 3.557 15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.279 2.263 16.514 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.550 1.031 15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.995 2.108 14.121 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.687 -0.329 14.994 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.993 2.962 13.867 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.417 2.529 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.651 -0.889 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.655 0.342 13.345 1.00 0.00 H new ATOM 781 N ARG A 54 -8.738 3.289 14.787 1.00 0.00 N ATOM 782 CA ARG A 54 -8.939 3.411 13.354 1.00 0.00 C ATOM 783 C ARG A 54 -9.639 4.731 13.025 1.00 0.00 C ATOM 784 O ARG A 54 -9.228 5.448 12.114 1.00 0.00 O ATOM 785 CB ARG A 54 -9.775 2.250 12.814 1.00 0.00 C ATOM 786 CG ARG A 54 -9.285 1.817 11.430 1.00 0.00 C ATOM 787 CD ARG A 54 -8.360 0.603 11.531 1.00 0.00 C ATOM 788 NE ARG A 54 -7.151 0.818 10.704 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.110 0.651 9.376 1.00 0.00 C ATOM 790 NH1 ARG A 54 -8.210 0.266 8.714 1.00 0.00 N ATOM 791 NH2 ARG A 54 -5.968 0.869 8.708 1.00 0.00 N ATOM 0 H ARG A 54 -9.002 2.385 15.179 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.958 3.389 12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.721 1.407 13.503 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.822 2.547 12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.139 1.576 10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.757 2.642 10.953 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.075 0.438 12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.884 -0.293 11.198 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.296 1.112 11.175 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.079 0.100 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.178 0.139 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.131 1.162 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.937 0.742 7.696 1.00 0.00 H new ATOM 802 N LEU A 55 -10.687 5.013 13.787 1.00 0.00 N ATOM 803 CA LEU A 55 -11.448 6.234 13.589 1.00 0.00 C ATOM 804 C LEU A 55 -12.067 6.224 12.190 1.00 0.00 C ATOM 805 O LEU A 55 -12.534 7.253 11.706 1.00 0.00 O ATOM 806 CB LEU A 55 -10.577 7.460 13.867 1.00 0.00 C ATOM 807 CG LEU A 55 -11.307 8.694 14.404 1.00 0.00 C ATOM 808 CD1 LEU A 55 -12.336 9.205 13.394 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.937 8.408 15.769 1.00 0.00 C ATOM 0 H LEU A 55 -11.026 4.417 14.542 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.271 6.289 14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.806 7.178 14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.068 7.737 12.944 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.575 9.488 14.548 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.840 10.082 13.800 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.832 9.474 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.070 8.424 13.196 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.449 9.301 16.128 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.653 7.592 15.675 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.158 8.127 16.478 1.00 0.00 H new ATOM 820 N PHE A 56 -12.050 5.048 11.578 1.00 0.00 N ATOM 821 CA PHE A 56 -12.602 4.890 10.244 1.00 0.00 C ATOM 822 C PHE A 56 -13.297 3.534 10.096 1.00 0.00 C ATOM 823 O PHE A 56 -14.380 3.447 9.521 1.00 0.00 O ATOM 824 CB PHE A 56 -11.430 4.959 9.264 1.00 0.00 C ATOM 825 CG PHE A 56 -11.659 5.909 8.086 1.00 0.00 C ATOM 826 CD1 PHE A 56 -12.406 5.508 7.024 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.115 7.156 8.103 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.619 6.390 5.931 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.328 8.038 7.011 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.075 7.636 5.948 1.00 0.00 C ATOM 0 H PHE A 56 -11.662 4.196 11.982 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.339 5.669 10.051 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.537 5.274 9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.233 3.959 8.878 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.838 4.518 7.011 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -10.521 7.475 8.947 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -13.213 6.071 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -10.897 9.028 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.236 8.307 5.117 1.00 0.00 H new ATOM 839 N LEU A 57 -12.644 2.510 10.625 1.00 0.00 N ATOM 840 CA LEU A 57 -13.185 1.163 10.558 1.00 0.00 C ATOM 841 C LEU A 57 -14.698 1.214 10.779 1.00 0.00 C ATOM 842 O LEU A 57 -15.461 0.626 10.014 1.00 0.00 O ATOM 843 CB LEU A 57 -12.452 0.242 11.536 1.00 0.00 C ATOM 844 CG LEU A 57 -12.031 -1.122 10.987 1.00 0.00 C ATOM 845 CD1 LEU A 57 -10.979 -1.775 11.885 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.247 -2.028 10.775 1.00 0.00 C ATOM 0 H LEU A 57 -11.745 2.586 11.102 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.021 0.736 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.561 0.759 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.094 0.080 12.402 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.570 -0.969 10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.698 -2.743 11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.099 -1.134 11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.390 -1.913 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.919 -2.991 10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.760 -2.177 11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.929 -1.561 10.064 1.00 0.00 H new ATOM 857 N VAL A 58 -15.087 1.924 11.827 1.00 0.00 N ATOM 858 CA VAL A 58 -16.497 2.060 12.157 1.00 0.00 C ATOM 859 C VAL A 58 -17.158 0.681 12.124 1.00 0.00 C ATOM 860 O VAL A 58 -17.718 0.282 11.104 1.00 0.00 O ATOM 861 CB VAL A 58 -17.160 3.066 11.215 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.677 3.085 11.414 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.565 4.463 11.395 1.00 0.00 C ATOM 0 H VAL A 58 -14.452 2.411 12.459 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.618 2.454 13.166 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.960 2.748 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.124 3.808 10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.083 2.094 11.210 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.906 3.366 12.442 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.055 5.158 10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.718 4.794 12.422 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.497 4.434 11.178 1.00 0.00 H new ATOM 873 N ASP A 59 -17.073 -0.009 13.252 1.00 0.00 N ATOM 874 CA ASP A 59 -17.657 -1.335 13.365 1.00 0.00 C ATOM 875 C ASP A 59 -17.307 -2.148 12.118 1.00 0.00 C ATOM 876 O ASP A 59 -18.026 -2.101 11.120 1.00 0.00 O ATOM 877 CB ASP A 59 -19.182 -1.257 13.467 1.00 0.00 C ATOM 878 CG ASP A 59 -19.825 -0.107 12.691 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.545 1.054 13.063 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.581 -0.412 11.745 1.00 0.00 O ATOM 0 H ASP A 59 -16.608 0.325 14.096 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.259 -1.805 14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.603 -2.197 13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.456 -1.164 14.518 1.00 0.00 H new ATOM 884 N ASP A 60 -16.205 -2.877 12.215 1.00 0.00 N ATOM 885 CA ASP A 60 -15.752 -3.701 11.107 1.00 0.00 C ATOM 886 C ASP A 60 -15.728 -2.860 9.829 1.00 0.00 C ATOM 887 O ASP A 60 -16.046 -1.672 9.856 1.00 0.00 O ATOM 888 CB ASP A 60 -16.695 -4.884 10.878 1.00 0.00 C ATOM 889 CG ASP A 60 -16.222 -5.896 9.832 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.043 -5.787 9.431 1.00 0.00 O ATOM 891 OD2 ASP A 60 -17.049 -6.754 9.459 1.00 0.00 O ATOM 0 H ASP A 60 -15.612 -2.914 13.044 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.757 -4.075 11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.838 -5.404 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.669 -4.499 10.575 1.00 0.00 H new TER 895 ASP A 60