USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HD1:sc= -12! C(o=-13!,f=-16!) USER MOD Set 1.2: A 30 TYR OH : rot -124:sc= -0.827! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 12 SER OG : rot 45:sc= 1.2 USER MOD Single : A 14 SER OG : rot -56:sc= 1.18 USER MOD Single : A 18 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.056) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.4) USER MOD Single : A 40 CYS SG : rot 44:sc= -0.321 USER MOD Single : A 42 THR OG1 : rot -126:sc= 0.387 USER MOD Single : A 47 TYR OH : rot -45:sc= -6.29! USER MOD Single : A 55 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.2!) USER MOD Single : A 58 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.34) USER MOD Single : A 59 SER OG : rot -106:sc= -4.14! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -174:sc= -1.52! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.47 F(o=-2.5!,f=-0.47) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -124:sc= -1.22 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 154:sc= -1.69! USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.146 4.249 9.107 1.00 0.00 N ATOM 26 CA LYS A 2 -3.786 4.778 8.823 1.00 0.00 C ATOM 27 C LYS A 2 -2.884 3.657 8.313 1.00 0.00 C ATOM 28 O LYS A 2 -2.942 2.534 8.773 1.00 0.00 O ATOM 29 CB LYS A 2 -3.181 5.351 10.102 1.00 0.00 C ATOM 30 CG LYS A 2 -2.936 6.852 9.931 1.00 0.00 C ATOM 31 CD LYS A 2 -1.639 7.240 10.644 1.00 0.00 C ATOM 32 CE LYS A 2 -0.463 7.109 9.674 1.00 0.00 C ATOM 33 NZ LYS A 2 0.719 7.830 10.227 1.00 0.00 N ATOM 0 HA LYS A 2 -3.865 5.558 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.852 5.176 10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.244 4.844 10.331 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.871 7.103 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.773 7.417 10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.707 8.263 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.482 6.598 11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.221 6.058 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.732 7.521 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.519 7.742 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.484 8.835 10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.979 7.417 11.145 1.00 0.00 H new ATOM 47 N ALA A 3 -2.041 3.967 7.374 1.00 0.00 N ATOM 48 CA ALA A 3 -1.109 2.942 6.828 1.00 0.00 C ATOM 49 C ALA A 3 0.315 3.496 6.864 1.00 0.00 C ATOM 50 O ALA A 3 0.529 4.688 6.778 1.00 0.00 O ATOM 51 CB ALA A 3 -1.497 2.608 5.386 1.00 0.00 C ATOM 0 H ALA A 3 -1.955 4.894 6.956 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.166 2.035 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.813 1.858 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.515 2.219 5.364 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.440 3.509 4.776 1.00 0.00 H new ATOM 57 N VAL A 4 1.292 2.644 6.999 1.00 0.00 N ATOM 58 CA VAL A 4 2.700 3.127 7.050 1.00 0.00 C ATOM 59 C VAL A 4 3.600 2.157 6.288 1.00 0.00 C ATOM 60 O VAL A 4 3.726 1.003 6.647 1.00 0.00 O ATOM 61 CB VAL A 4 3.155 3.197 8.508 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.507 3.908 8.591 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.116 3.967 9.326 1.00 0.00 C ATOM 0 H VAL A 4 1.177 1.634 7.076 1.00 0.00 H new ATOM 0 HA VAL A 4 2.763 4.116 6.595 1.00 0.00 H new ATOM 0 HB VAL A 4 3.257 2.188 8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.829 3.957 9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.245 3.356 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.412 4.918 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.437 4.019 10.366 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.014 4.976 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.155 3.455 9.268 1.00 0.00 H new ATOM 73 N ILE A 5 4.233 2.610 5.240 1.00 0.00 N ATOM 74 CA ILE A 5 5.123 1.695 4.473 1.00 0.00 C ATOM 75 C ILE A 5 6.579 1.955 4.855 1.00 0.00 C ATOM 76 O ILE A 5 7.240 2.806 4.295 1.00 0.00 O ATOM 77 CB ILE A 5 4.939 1.923 2.977 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.427 1.948 2.664 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.656 0.799 2.217 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.064 0.955 1.550 1.00 0.00 C ATOM 0 H ILE A 5 4.173 3.564 4.885 1.00 0.00 H new ATOM 0 HA ILE A 5 4.864 0.664 4.712 1.00 0.00 H new ATOM 0 HB ILE A 5 5.369 2.875 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.864 1.706 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.133 2.954 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.533 0.949 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.717 0.811 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.228 -0.162 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.992 1.001 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.608 1.213 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.334 -0.054 1.860 1.00 0.00 H new ATOM 92 N ASN A 6 7.083 1.224 5.805 1.00 0.00 N ATOM 93 CA ASN A 6 8.489 1.420 6.231 1.00 0.00 C ATOM 94 C ASN A 6 9.421 0.728 5.234 1.00 0.00 C ATOM 95 O ASN A 6 9.626 -0.468 5.287 1.00 0.00 O ATOM 96 CB ASN A 6 8.669 0.805 7.617 1.00 0.00 C ATOM 97 CG ASN A 6 7.623 1.385 8.572 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.440 1.326 8.304 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.013 1.947 9.683 1.00 0.00 N ATOM 0 H ASN A 6 6.577 0.495 6.307 1.00 0.00 H new ATOM 0 HA ASN A 6 8.728 2.483 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.566 -0.279 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.672 1.011 7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.324 2.337 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.007 1.997 9.908 1.00 0.00 H new ATOM 106 N GLY A 7 9.983 1.472 4.319 1.00 0.00 N ATOM 107 CA GLY A 7 10.895 0.855 3.314 1.00 0.00 C ATOM 108 C GLY A 7 12.167 0.365 4.005 1.00 0.00 C ATOM 109 O GLY A 7 12.807 -0.567 3.559 1.00 0.00 O ATOM 0 H GLY A 7 9.850 2.479 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.395 0.023 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.146 1.582 2.542 1.00 0.00 H new ATOM 113 N GLU A 8 12.541 0.983 5.091 1.00 0.00 N ATOM 114 CA GLU A 8 13.772 0.547 5.806 1.00 0.00 C ATOM 115 C GLU A 8 13.613 -0.908 6.252 1.00 0.00 C ATOM 116 O GLU A 8 14.576 -1.581 6.560 1.00 0.00 O ATOM 117 CB GLU A 8 13.989 1.435 7.034 1.00 0.00 C ATOM 118 CG GLU A 8 14.328 2.857 6.584 1.00 0.00 C ATOM 119 CD GLU A 8 15.809 2.935 6.211 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.345 1.928 5.778 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.383 4.001 6.364 1.00 0.00 O ATOM 0 H GLU A 8 12.048 1.770 5.513 1.00 0.00 H new ATOM 0 HA GLU A 8 14.630 0.632 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.092 1.443 7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.796 1.034 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.712 3.136 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.105 3.565 7.382 1.00 0.00 H new ATOM 128 N GLN A 9 12.403 -1.394 6.301 1.00 0.00 N ATOM 129 CA GLN A 9 12.178 -2.796 6.740 1.00 0.00 C ATOM 130 C GLN A 9 11.911 -3.694 5.529 1.00 0.00 C ATOM 131 O GLN A 9 12.488 -4.754 5.391 1.00 0.00 O ATOM 132 CB GLN A 9 10.966 -2.822 7.666 1.00 0.00 C ATOM 133 CG GLN A 9 11.182 -1.835 8.813 1.00 0.00 C ATOM 134 CD GLN A 9 11.618 -2.593 10.068 1.00 0.00 C ATOM 135 OE1 GLN A 9 12.693 -3.159 10.108 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.823 -2.630 11.102 1.00 0.00 N ATOM 0 H GLN A 9 11.559 -0.877 6.055 1.00 0.00 H new ATOM 0 HA GLN A 9 13.063 -3.164 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.065 -2.560 7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.817 -3.827 8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.940 -1.102 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.262 -1.284 9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.921 -2.155 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.104 -3.134 11.943 1.00 0.00 H new ATOM 145 N ILE A 10 11.026 -3.287 4.664 1.00 0.00 N ATOM 146 CA ILE A 10 10.698 -4.116 3.476 1.00 0.00 C ATOM 147 C ILE A 10 11.955 -4.642 2.798 1.00 0.00 C ATOM 148 O ILE A 10 12.960 -3.967 2.689 1.00 0.00 O ATOM 149 CB ILE A 10 9.921 -3.267 2.489 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.551 -2.970 3.073 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.758 -4.018 1.165 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.797 -2.104 2.088 1.00 0.00 C ATOM 0 H ILE A 10 10.513 -2.408 4.731 1.00 0.00 H new ATOM 0 HA ILE A 10 10.107 -4.971 3.804 1.00 0.00 H new ATOM 0 HB ILE A 10 10.460 -2.338 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.008 -3.896 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.648 -2.460 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.199 -3.400 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.741 -4.241 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.218 -4.949 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.808 -1.877 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.345 -1.176 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.694 -2.635 1.141 1.00 0.00 H new ATOM 164 N ARG A 11 11.881 -5.849 2.325 1.00 0.00 N ATOM 165 CA ARG A 11 13.027 -6.466 1.626 1.00 0.00 C ATOM 166 C ARG A 11 12.586 -6.854 0.212 1.00 0.00 C ATOM 167 O ARG A 11 13.395 -7.169 -0.639 1.00 0.00 O ATOM 168 CB ARG A 11 13.450 -7.714 2.389 1.00 0.00 C ATOM 169 CG ARG A 11 14.254 -7.305 3.622 1.00 0.00 C ATOM 170 CD ARG A 11 15.699 -7.790 3.476 1.00 0.00 C ATOM 171 NE ARG A 11 16.088 -8.575 4.683 1.00 0.00 N ATOM 172 CZ ARG A 11 15.659 -8.220 5.864 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.082 -7.111 6.405 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.806 -8.974 6.502 1.00 0.00 N ATOM 0 H ARG A 11 11.055 -6.444 2.397 1.00 0.00 H new ATOM 0 HA ARG A 11 13.863 -5.769 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.572 -8.287 2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.050 -8.360 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.233 -6.222 3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.805 -7.731 4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.798 -8.406 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.368 -6.939 3.352 1.00 0.00 H new ATOM 0 HE ARG A 11 16.691 -9.392 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.748 -6.521 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.747 -6.833 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.475 -9.840 6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.471 -8.697 7.425 1.00 0.00 H new ATOM 188 N SER A 12 11.302 -6.835 -0.043 1.00 0.00 N ATOM 189 CA SER A 12 10.801 -7.204 -1.396 1.00 0.00 C ATOM 190 C SER A 12 9.334 -6.784 -1.537 1.00 0.00 C ATOM 191 O SER A 12 8.698 -6.349 -0.588 1.00 0.00 O ATOM 192 CB SER A 12 10.918 -8.716 -1.587 1.00 0.00 C ATOM 193 OG SER A 12 12.193 -9.024 -2.133 1.00 0.00 O ATOM 0 H SER A 12 10.580 -6.579 0.631 1.00 0.00 H new ATOM 0 HA SER A 12 11.396 -6.693 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.786 -9.226 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.130 -9.072 -2.251 1.00 0.00 H new ATOM 0 HG SER A 12 12.883 -8.512 -1.662 1.00 0.00 H new ATOM 199 N ILE A 13 8.785 -6.911 -2.715 1.00 0.00 N ATOM 200 CA ILE A 13 7.365 -6.518 -2.909 1.00 0.00 C ATOM 201 C ILE A 13 6.502 -7.276 -1.905 1.00 0.00 C ATOM 202 O ILE A 13 5.675 -6.701 -1.233 1.00 0.00 O ATOM 203 CB ILE A 13 6.919 -6.850 -4.337 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.590 -6.146 -4.649 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.731 -8.362 -4.476 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.602 -4.711 -4.105 1.00 0.00 C ATOM 0 H ILE A 13 9.257 -7.268 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 13 7.257 -5.445 -2.752 1.00 0.00 H new ATOM 0 HB ILE A 13 7.682 -6.507 -5.035 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.423 -6.132 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.764 -6.702 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.414 -8.597 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.673 -8.867 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.972 -8.701 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.653 -4.227 -4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.746 -4.733 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.416 -4.153 -4.569 1.00 0.00 H new ATOM 218 N SER A 14 6.700 -8.560 -1.783 1.00 0.00 N ATOM 219 CA SER A 14 5.897 -9.336 -0.800 1.00 0.00 C ATOM 220 C SER A 14 5.892 -8.567 0.517 1.00 0.00 C ATOM 221 O SER A 14 4.859 -8.322 1.106 1.00 0.00 O ATOM 222 CB SER A 14 6.537 -10.704 -0.584 1.00 0.00 C ATOM 223 OG SER A 14 5.953 -11.643 -1.477 1.00 0.00 O ATOM 0 H SER A 14 7.379 -9.101 -2.318 1.00 0.00 H new ATOM 0 HA SER A 14 4.880 -9.473 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.612 -10.646 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.392 -11.027 0.447 1.00 0.00 H new ATOM 0 HG SER A 14 4.982 -11.659 -1.346 1.00 0.00 H new ATOM 229 N ASP A 15 7.049 -8.170 0.968 1.00 0.00 N ATOM 230 CA ASP A 15 7.139 -7.396 2.230 1.00 0.00 C ATOM 231 C ASP A 15 6.225 -6.181 2.130 1.00 0.00 C ATOM 232 O ASP A 15 5.511 -5.842 3.053 1.00 0.00 O ATOM 233 CB ASP A 15 8.575 -6.917 2.428 1.00 0.00 C ATOM 234 CG ASP A 15 9.124 -7.466 3.746 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.796 -6.907 4.780 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.863 -8.435 3.699 1.00 0.00 O ATOM 0 H ASP A 15 7.942 -8.352 0.510 1.00 0.00 H new ATOM 0 HA ASP A 15 6.840 -8.024 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.197 -7.249 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.608 -5.828 2.435 1.00 0.00 H new ATOM 241 N LEU A 16 6.246 -5.524 1.006 1.00 0.00 N ATOM 242 CA LEU A 16 5.378 -4.329 0.823 1.00 0.00 C ATOM 243 C LEU A 16 3.939 -4.725 1.138 1.00 0.00 C ATOM 244 O LEU A 16 3.279 -4.131 1.967 1.00 0.00 O ATOM 245 CB LEU A 16 5.472 -3.860 -0.630 1.00 0.00 C ATOM 246 CG LEU A 16 4.794 -2.496 -0.791 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.224 -1.564 0.342 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.207 -1.884 -2.131 1.00 0.00 C ATOM 0 H LEU A 16 6.828 -5.763 0.204 1.00 0.00 H new ATOM 0 HA LEU A 16 5.696 -3.523 1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.517 -3.792 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.998 -4.590 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 16 3.712 -2.626 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.738 -0.596 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.935 -1.998 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.306 -1.433 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.727 -0.913 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.290 -1.759 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.899 -2.543 -2.942 1.00 0.00 H new ATOM 260 N HIS A 17 3.460 -5.739 0.481 1.00 0.00 N ATOM 261 CA HIS A 17 2.076 -6.215 0.721 1.00 0.00 C ATOM 262 C HIS A 17 1.960 -6.710 2.163 1.00 0.00 C ATOM 263 O HIS A 17 0.886 -6.792 2.721 1.00 0.00 O ATOM 264 CB HIS A 17 1.786 -7.362 -0.245 1.00 0.00 C ATOM 265 CG HIS A 17 1.989 -6.885 -1.655 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.204 -5.891 -2.219 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.882 -7.256 -2.629 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.635 -5.700 -3.479 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.656 -6.506 -3.780 1.00 0.00 N ATOM 0 H HIS A 17 3.978 -6.266 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 17 1.361 -5.408 0.562 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.445 -8.205 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.764 -7.716 -0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.644 -8.014 -2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.207 -4.982 -4.163 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.162 -6.561 -4.664 1.00 0.00 H new ATOM 277 N GLN A 18 3.062 -7.039 2.773 1.00 0.00 N ATOM 278 CA GLN A 18 3.017 -7.521 4.171 1.00 0.00 C ATOM 279 C GLN A 18 2.609 -6.365 5.081 1.00 0.00 C ATOM 280 O GLN A 18 1.654 -6.454 5.832 1.00 0.00 O ATOM 281 CB GLN A 18 4.401 -8.031 4.581 1.00 0.00 C ATOM 282 CG GLN A 18 4.266 -9.407 5.235 1.00 0.00 C ATOM 283 CD GLN A 18 3.392 -9.294 6.486 1.00 0.00 C ATOM 284 OE1 GLN A 18 2.289 -9.802 6.519 1.00 0.00 O ATOM 285 NE2 GLN A 18 3.843 -8.644 7.524 1.00 0.00 N ATOM 0 H GLN A 18 3.993 -6.993 2.359 1.00 0.00 H new ATOM 0 HA GLN A 18 2.295 -8.333 4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.050 -8.094 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.867 -7.331 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.824 -10.114 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.250 -9.794 5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.769 -8.218 7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.269 -8.562 8.363 1.00 0.00 H new ATOM 294 N THR A 19 3.327 -5.278 5.022 1.00 0.00 N ATOM 295 CA THR A 19 2.983 -4.122 5.882 1.00 0.00 C ATOM 296 C THR A 19 1.608 -3.589 5.461 1.00 0.00 C ATOM 297 O THR A 19 0.803 -3.218 6.284 1.00 0.00 O ATOM 298 CB THR A 19 4.077 -3.037 5.754 1.00 0.00 C ATOM 299 OG1 THR A 19 4.686 -2.847 7.023 1.00 0.00 O ATOM 300 CG2 THR A 19 3.483 -1.701 5.296 1.00 0.00 C ATOM 0 H THR A 19 4.136 -5.144 4.415 1.00 0.00 H new ATOM 0 HA THR A 19 2.935 -4.422 6.929 1.00 0.00 H new ATOM 0 HB THR A 19 4.805 -3.369 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.383 -2.162 6.952 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.277 -0.958 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.006 -1.829 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.743 -1.364 6.022 1.00 0.00 H new ATOM 308 N LEU A 20 1.332 -3.556 4.187 1.00 0.00 N ATOM 309 CA LEU A 20 0.015 -3.062 3.728 1.00 0.00 C ATOM 310 C LEU A 20 -1.068 -3.963 4.316 1.00 0.00 C ATOM 311 O LEU A 20 -2.133 -3.530 4.678 1.00 0.00 O ATOM 312 CB LEU A 20 -0.039 -3.131 2.203 1.00 0.00 C ATOM 313 CG LEU A 20 0.842 -2.033 1.600 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.735 -2.079 0.076 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.377 -0.664 2.104 1.00 0.00 C ATOM 0 H LEU A 20 1.967 -3.852 3.446 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.139 -2.032 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.300 -4.109 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.067 -3.013 1.861 1.00 0.00 H new ATOM 0 HG LEU A 20 1.878 -2.193 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.361 -1.298 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.069 -3.053 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.301 -1.919 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.006 0.115 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.659 -0.500 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.453 -0.632 3.191 1.00 0.00 H new ATOM 327 N LYS A 21 -0.779 -5.221 4.407 1.00 0.00 N ATOM 328 CA LYS A 21 -1.753 -6.201 4.965 1.00 0.00 C ATOM 329 C LYS A 21 -1.966 -5.923 6.452 1.00 0.00 C ATOM 330 O LYS A 21 -3.075 -5.937 6.941 1.00 0.00 O ATOM 331 CB LYS A 21 -1.193 -7.614 4.792 1.00 0.00 C ATOM 332 CG LYS A 21 -2.304 -8.642 5.013 1.00 0.00 C ATOM 333 CD LYS A 21 -1.687 -9.969 5.459 1.00 0.00 C ATOM 334 CE LYS A 21 -2.797 -10.938 5.870 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.599 -11.348 7.288 1.00 0.00 N ATOM 0 H LYS A 21 0.110 -5.627 4.113 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.704 -6.110 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.772 -7.729 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.382 -7.783 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.003 -8.282 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.872 -8.783 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.097 -10.398 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.007 -9.803 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.771 -10.464 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.787 -11.815 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.354 -12.007 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.676 -11.816 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.629 -10.508 7.900 1.00 0.00 H new ATOM 349 N LYS A 22 -0.914 -5.667 7.175 1.00 0.00 N ATOM 350 CA LYS A 22 -1.060 -5.384 8.622 1.00 0.00 C ATOM 351 C LYS A 22 -1.869 -4.105 8.787 1.00 0.00 C ATOM 352 O LYS A 22 -2.942 -4.089 9.357 1.00 0.00 O ATOM 353 CB LYS A 22 0.324 -5.178 9.231 1.00 0.00 C ATOM 354 CG LYS A 22 0.300 -5.572 10.709 1.00 0.00 C ATOM 355 CD LYS A 22 1.622 -6.247 11.079 1.00 0.00 C ATOM 356 CE LYS A 22 2.654 -5.180 11.449 1.00 0.00 C ATOM 357 NZ LYS A 22 3.561 -4.943 10.291 1.00 0.00 N ATOM 0 H LYS A 22 0.043 -5.642 6.822 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.562 -6.214 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.060 -5.778 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.626 -4.136 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.144 -4.689 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.533 -6.248 10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.472 -6.929 11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.984 -6.844 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.151 -4.253 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.231 -5.502 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.263 -4.218 10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.050 -5.828 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.004 -4.618 9.475 1.00 0.00 H new ATOM 371 N GLU A 23 -1.346 -3.036 8.272 1.00 0.00 N ATOM 372 CA GLU A 23 -2.032 -1.730 8.351 1.00 0.00 C ATOM 373 C GLU A 23 -3.456 -1.878 7.824 1.00 0.00 C ATOM 374 O GLU A 23 -4.421 -1.802 8.558 1.00 0.00 O ATOM 375 CB GLU A 23 -1.261 -0.745 7.477 1.00 0.00 C ATOM 376 CG GLU A 23 0.129 -0.521 8.075 1.00 0.00 C ATOM 377 CD GLU A 23 0.033 0.464 9.241 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.496 0.081 10.272 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.490 1.584 9.085 1.00 0.00 O ATOM 0 H GLU A 23 -0.449 -3.015 7.788 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.070 -1.374 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.175 -1.132 6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.799 0.201 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.545 -1.468 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.806 -0.134 7.313 1.00 0.00 H new ATOM 386 N LEU A 24 -3.580 -2.100 6.551 1.00 0.00 N ATOM 387 CA LEU A 24 -4.917 -2.271 5.934 1.00 0.00 C ATOM 388 C LEU A 24 -5.645 -3.431 6.612 1.00 0.00 C ATOM 389 O LEU A 24 -6.840 -3.597 6.463 1.00 0.00 O ATOM 390 CB LEU A 24 -4.728 -2.594 4.453 1.00 0.00 C ATOM 391 CG LEU A 24 -4.011 -1.436 3.761 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.952 -1.994 2.809 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.024 -0.607 2.969 1.00 0.00 C ATOM 0 H LEU A 24 -2.797 -2.171 5.901 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.503 -1.359 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.149 -3.511 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.696 -2.769 3.983 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.533 -0.804 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.438 -1.170 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.230 -2.585 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.432 -2.625 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.512 0.219 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.503 -1.237 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.780 -0.212 3.647 1.00 0.00 H new ATOM 405 N ALA A 25 -4.936 -4.245 7.348 1.00 0.00 N ATOM 406 CA ALA A 25 -5.592 -5.393 8.017 1.00 0.00 C ATOM 407 C ALA A 25 -6.338 -6.216 6.968 1.00 0.00 C ATOM 408 O ALA A 25 -7.487 -6.574 7.139 1.00 0.00 O ATOM 409 CB ALA A 25 -6.562 -4.863 9.063 1.00 0.00 C ATOM 0 H ALA A 25 -3.933 -4.160 7.511 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.852 -6.026 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.051 -5.699 9.562 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.017 -4.270 9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.314 -4.239 8.579 1.00 0.00 H new ATOM 415 N LEU A 26 -5.683 -6.518 5.881 1.00 0.00 N ATOM 416 CA LEU A 26 -6.334 -7.317 4.808 1.00 0.00 C ATOM 417 C LEU A 26 -6.629 -8.721 5.340 1.00 0.00 C ATOM 418 O LEU A 26 -6.042 -9.145 6.315 1.00 0.00 O ATOM 419 CB LEU A 26 -5.384 -7.403 3.610 1.00 0.00 C ATOM 420 CG LEU A 26 -4.902 -5.999 3.246 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.876 -6.084 2.123 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.092 -5.154 2.788 1.00 0.00 C ATOM 0 H LEU A 26 -4.719 -6.243 5.690 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.267 -6.846 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.534 -8.041 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.893 -7.857 2.760 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.442 -5.537 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.534 -5.081 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.027 -6.684 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.332 -6.548 1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.749 -4.153 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.553 -5.617 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.824 -5.089 3.593 1.00 0.00 H new ATOM 434 N PRO A 27 -7.531 -9.404 4.684 1.00 0.00 N ATOM 435 CA PRO A 27 -7.915 -10.767 5.082 1.00 0.00 C ATOM 436 C PRO A 27 -6.677 -11.656 5.177 1.00 0.00 C ATOM 437 O PRO A 27 -5.570 -11.225 4.924 1.00 0.00 O ATOM 438 CB PRO A 27 -8.848 -11.251 3.966 1.00 0.00 C ATOM 439 CG PRO A 27 -9.115 -10.050 3.024 1.00 0.00 C ATOM 440 CD PRO A 27 -8.235 -8.883 3.497 1.00 0.00 C ATOM 0 HA PRO A 27 -8.398 -10.797 6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.392 -12.075 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.783 -11.625 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.880 -10.313 1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.168 -9.770 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.532 -8.577 2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.836 -8.008 3.745 1.00 0.00 H new ATOM 448 N GLU A 28 -6.855 -12.896 5.534 1.00 0.00 N ATOM 449 CA GLU A 28 -5.688 -13.810 5.637 1.00 0.00 C ATOM 450 C GLU A 28 -5.305 -14.280 4.236 1.00 0.00 C ATOM 451 O GLU A 28 -4.231 -14.803 4.015 1.00 0.00 O ATOM 452 CB GLU A 28 -6.060 -15.019 6.492 1.00 0.00 C ATOM 453 CG GLU A 28 -6.211 -14.588 7.952 1.00 0.00 C ATOM 454 CD GLU A 28 -4.913 -14.877 8.707 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.526 -16.033 8.759 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.327 -13.938 9.220 1.00 0.00 O ATOM 0 H GLU A 28 -7.758 -13.315 5.758 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.849 -13.288 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.991 -15.458 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.292 -15.788 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.446 -13.525 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.040 -15.122 8.416 1.00 0.00 H new ATOM 463 N TYR A 29 -6.179 -14.093 3.285 1.00 0.00 N ATOM 464 CA TYR A 29 -5.868 -14.524 1.898 1.00 0.00 C ATOM 465 C TYR A 29 -5.378 -13.321 1.091 1.00 0.00 C ATOM 466 O TYR A 29 -5.350 -13.354 -0.123 1.00 0.00 O ATOM 467 CB TYR A 29 -7.124 -15.105 1.244 1.00 0.00 C ATOM 468 CG TYR A 29 -8.329 -14.281 1.629 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.666 -13.143 0.886 1.00 0.00 C ATOM 470 CD2 TYR A 29 -9.112 -14.656 2.728 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.785 -12.380 1.242 1.00 0.00 C ATOM 472 CE2 TYR A 29 -10.231 -13.894 3.083 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.568 -12.756 2.340 1.00 0.00 C ATOM 474 OH TYR A 29 -11.672 -12.005 2.689 1.00 0.00 O ATOM 0 H TYR A 29 -7.094 -13.660 3.411 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.091 -15.288 1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.010 -15.114 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.264 -16.139 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.063 -12.854 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.852 -15.533 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.044 -11.502 0.670 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.835 -14.184 3.930 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.105 -12.404 3.473 1.00 0.00 H new ATOM 484 N TYR A 30 -4.995 -12.258 1.757 1.00 0.00 N ATOM 485 CA TYR A 30 -4.503 -11.049 1.021 1.00 0.00 C ATOM 486 C TYR A 30 -3.636 -11.496 -0.158 1.00 0.00 C ATOM 487 O TYR A 30 -2.464 -11.776 -0.008 1.00 0.00 O ATOM 488 CB TYR A 30 -3.666 -10.165 1.957 1.00 0.00 C ATOM 489 CG TYR A 30 -3.084 -9.007 1.171 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.767 -8.510 0.056 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.861 -8.434 1.555 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.232 -7.443 -0.677 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.323 -7.363 0.820 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.011 -6.871 -0.296 1.00 0.00 C ATOM 495 OH TYR A 30 -1.486 -5.820 -1.020 1.00 0.00 O ATOM 0 H TYR A 30 -5.001 -12.175 2.774 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.358 -10.478 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.286 -9.791 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.865 -10.751 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.708 -8.950 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.333 -8.816 2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.761 -7.061 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.383 -6.921 1.115 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.584 -6.051 -1.326 1.00 0.00 H new ATOM 505 N GLY A 31 -4.212 -11.574 -1.329 1.00 0.00 N ATOM 506 CA GLY A 31 -3.434 -12.013 -2.523 1.00 0.00 C ATOM 507 C GLY A 31 -2.044 -11.378 -2.498 1.00 0.00 C ATOM 508 O GLY A 31 -1.072 -11.980 -2.907 1.00 0.00 O ATOM 0 H GLY A 31 -5.191 -11.352 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.347 -13.100 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.958 -11.727 -3.435 1.00 0.00 H new ATOM 512 N GLU A 32 -1.947 -10.164 -2.021 1.00 0.00 N ATOM 513 CA GLU A 32 -0.625 -9.473 -1.963 1.00 0.00 C ATOM 514 C GLU A 32 -0.311 -8.850 -3.331 1.00 0.00 C ATOM 515 O GLU A 32 0.580 -8.037 -3.461 1.00 0.00 O ATOM 516 CB GLU A 32 0.468 -10.481 -1.540 1.00 0.00 C ATOM 517 CG GLU A 32 1.391 -10.838 -2.716 1.00 0.00 C ATOM 518 CD GLU A 32 2.496 -11.778 -2.231 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.485 -11.282 -1.717 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.334 -12.978 -2.382 1.00 0.00 O ATOM 0 H GLU A 32 -2.733 -9.618 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.654 -8.673 -1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.059 -10.059 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.000 -11.387 -1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.817 -11.314 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.828 -9.932 -3.137 1.00 0.00 H new ATOM 527 N ASN A 33 -1.038 -9.217 -4.350 1.00 0.00 N ATOM 528 CA ASN A 33 -0.771 -8.628 -5.697 1.00 0.00 C ATOM 529 C ASN A 33 -1.442 -7.257 -5.788 1.00 0.00 C ATOM 530 O ASN A 33 -2.096 -6.813 -4.867 1.00 0.00 O ATOM 531 CB ASN A 33 -1.310 -9.533 -6.824 1.00 0.00 C ATOM 532 CG ASN A 33 -1.961 -10.796 -6.255 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.279 -11.711 -5.838 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.263 -10.885 -6.218 1.00 0.00 N ATOM 0 H ASN A 33 -1.800 -9.894 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 33 0.308 -8.534 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.038 -8.982 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.495 -9.810 -7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.706 -11.722 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.837 -10.118 -6.568 1.00 0.00 H new ATOM 541 N LEU A 34 -1.292 -6.589 -6.896 1.00 0.00 N ATOM 542 CA LEU A 34 -1.930 -5.251 -7.058 1.00 0.00 C ATOM 543 C LEU A 34 -3.433 -5.438 -7.223 1.00 0.00 C ATOM 544 O LEU A 34 -4.231 -4.664 -6.744 1.00 0.00 O ATOM 545 CB LEU A 34 -1.388 -4.590 -8.317 1.00 0.00 C ATOM 546 CG LEU A 34 0.019 -4.058 -8.057 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.510 -3.299 -9.291 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.011 -3.113 -6.855 1.00 0.00 C ATOM 0 H LEU A 34 -0.754 -6.912 -7.700 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.716 -4.633 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.369 -5.308 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.044 -3.775 -8.622 1.00 0.00 H new ATOM 0 HG LEU A 34 0.693 -4.889 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.515 -2.918 -9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.528 -3.971 -10.149 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.162 -2.466 -9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.993 -2.732 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.683 -2.280 -7.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.364 -3.653 -5.976 1.00 0.00 H new ATOM 560 N ASP A 35 -3.809 -6.464 -7.919 1.00 0.00 N ATOM 561 CA ASP A 35 -5.248 -6.748 -8.158 1.00 0.00 C ATOM 562 C ASP A 35 -5.952 -7.041 -6.836 1.00 0.00 C ATOM 563 O ASP A 35 -7.103 -6.699 -6.642 1.00 0.00 O ATOM 564 CB ASP A 35 -5.346 -7.986 -9.034 1.00 0.00 C ATOM 565 CG ASP A 35 -4.973 -7.631 -10.475 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.159 -6.485 -10.849 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.507 -8.512 -11.179 1.00 0.00 O ATOM 0 H ASP A 35 -3.168 -7.134 -8.343 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.716 -5.886 -8.634 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.681 -8.763 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.358 -8.388 -8.999 1.00 0.00 H new ATOM 572 N ALA A 36 -5.274 -7.680 -5.928 1.00 0.00 N ATOM 573 CA ALA A 36 -5.914 -8.005 -4.621 1.00 0.00 C ATOM 574 C ALA A 36 -5.892 -6.766 -3.751 1.00 0.00 C ATOM 575 O ALA A 36 -6.903 -6.326 -3.241 1.00 0.00 O ATOM 576 CB ALA A 36 -5.141 -9.119 -3.921 1.00 0.00 C ATOM 0 H ALA A 36 -4.308 -7.991 -6.031 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.939 -8.335 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.617 -9.348 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.138 -10.010 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.115 -8.795 -3.746 1.00 0.00 H new ATOM 582 N LEU A 37 -4.740 -6.189 -3.599 1.00 0.00 N ATOM 583 CA LEU A 37 -4.627 -4.957 -2.787 1.00 0.00 C ATOM 584 C LEU A 37 -5.767 -4.032 -3.194 1.00 0.00 C ATOM 585 O LEU A 37 -6.513 -3.517 -2.379 1.00 0.00 O ATOM 586 CB LEU A 37 -3.286 -4.290 -3.098 1.00 0.00 C ATOM 587 CG LEU A 37 -3.345 -2.811 -2.712 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.510 -2.683 -1.197 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.052 -2.115 -3.146 1.00 0.00 C ATOM 0 H LEU A 37 -3.866 -6.521 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.681 -5.177 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.486 -4.787 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.056 -4.390 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.194 -2.342 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.552 -1.629 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.433 -3.175 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.663 -3.154 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.096 -1.061 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.202 -2.585 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.936 -2.203 -4.226 1.00 0.00 H new ATOM 601 N TRP A 38 -5.899 -3.836 -4.469 1.00 0.00 N ATOM 602 CA TRP A 38 -6.972 -2.975 -4.990 1.00 0.00 C ATOM 603 C TRP A 38 -8.300 -3.530 -4.537 1.00 0.00 C ATOM 604 O TRP A 38 -9.086 -2.867 -3.898 1.00 0.00 O ATOM 605 CB TRP A 38 -6.946 -2.995 -6.511 1.00 0.00 C ATOM 606 CG TRP A 38 -8.052 -2.138 -7.004 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.297 -2.568 -7.253 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.042 -0.719 -7.278 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.064 -1.496 -7.681 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.324 -0.329 -7.714 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.046 0.252 -7.194 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.604 0.994 -8.054 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.308 1.572 -7.525 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.588 1.955 -7.958 1.00 0.00 C ATOM 0 H TRP A 38 -5.295 -4.246 -5.181 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.831 -1.957 -4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.988 -2.629 -6.880 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.061 -4.014 -6.880 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.645 -3.584 -7.139 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.049 -1.560 -7.939 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.056 -0.028 -6.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.592 1.275 -8.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.523 2.310 -7.450 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.788 2.984 -8.216 1.00 0.00 H new ATOM 625 N ASP A 39 -8.544 -4.758 -4.865 1.00 0.00 N ATOM 626 CA ASP A 39 -9.818 -5.393 -4.458 1.00 0.00 C ATOM 627 C ASP A 39 -10.086 -5.038 -2.998 1.00 0.00 C ATOM 628 O ASP A 39 -11.213 -5.005 -2.547 1.00 0.00 O ATOM 629 CB ASP A 39 -9.707 -6.908 -4.610 1.00 0.00 C ATOM 630 CG ASP A 39 -10.316 -7.334 -5.947 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.873 -6.828 -6.965 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.214 -8.159 -5.930 1.00 0.00 O ATOM 0 H ASP A 39 -7.913 -5.354 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.635 -5.036 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.662 -7.213 -4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.223 -7.405 -3.789 1.00 0.00 H new ATOM 637 N CYS A 40 -9.045 -4.763 -2.258 1.00 0.00 N ATOM 638 CA CYS A 40 -9.218 -4.400 -0.832 1.00 0.00 C ATOM 639 C CYS A 40 -9.634 -2.928 -0.717 1.00 0.00 C ATOM 640 O CYS A 40 -10.592 -2.597 -0.047 1.00 0.00 O ATOM 641 CB CYS A 40 -7.894 -4.614 -0.102 1.00 0.00 C ATOM 642 SG CYS A 40 -7.248 -6.258 -0.495 1.00 0.00 S ATOM 0 H CYS A 40 -8.080 -4.776 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.993 -5.024 -0.387 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.176 -3.849 -0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.040 -4.516 0.974 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.381 -6.484 -1.768 1.00 0.00 H new ATOM 648 N LEU A 41 -8.924 -2.035 -1.357 1.00 0.00 N ATOM 649 CA LEU A 41 -9.285 -0.602 -1.262 1.00 0.00 C ATOM 650 C LEU A 41 -10.716 -0.385 -1.764 1.00 0.00 C ATOM 651 O LEU A 41 -11.529 0.236 -1.108 1.00 0.00 O ATOM 652 CB LEU A 41 -8.319 0.215 -2.119 1.00 0.00 C ATOM 653 CG LEU A 41 -6.874 -0.192 -1.813 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.929 0.611 -2.698 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.560 0.090 -0.341 1.00 0.00 C ATOM 0 H LEU A 41 -8.112 -2.242 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.221 -0.284 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.534 0.056 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.455 1.278 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.746 -1.256 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.899 0.325 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.152 0.409 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.059 1.675 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.532 -0.200 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.686 1.154 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.238 -0.482 0.292 1.00 0.00 H new ATOM 667 N THR A 42 -11.019 -0.874 -2.932 1.00 0.00 N ATOM 668 CA THR A 42 -12.375 -0.687 -3.503 1.00 0.00 C ATOM 669 C THR A 42 -13.421 -1.461 -2.693 1.00 0.00 C ATOM 670 O THR A 42 -14.607 -1.318 -2.917 1.00 0.00 O ATOM 671 CB THR A 42 -12.381 -1.181 -4.949 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.852 -2.498 -5.002 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.522 -0.246 -5.801 1.00 0.00 C ATOM 0 H THR A 42 -10.375 -1.402 -3.521 1.00 0.00 H new ATOM 0 HA THR A 42 -12.628 0.373 -3.467 1.00 0.00 H new ATOM 0 HB THR A 42 -13.402 -1.189 -5.332 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.116 -2.529 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.522 -0.593 -6.834 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.930 0.764 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.501 -0.242 -5.420 1.00 0.00 H new ATOM 681 N GLY A 43 -13.013 -2.282 -1.761 1.00 0.00 N ATOM 682 CA GLY A 43 -14.030 -3.043 -0.975 1.00 0.00 C ATOM 683 C GLY A 43 -13.398 -3.728 0.243 1.00 0.00 C ATOM 684 O GLY A 43 -13.417 -4.937 0.359 1.00 0.00 O ATOM 0 H GLY A 43 -12.039 -2.457 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.818 -2.366 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.499 -3.792 -1.613 1.00 0.00 H new ATOM 688 N TRP A 44 -12.859 -2.973 1.162 1.00 0.00 N ATOM 689 CA TRP A 44 -12.257 -3.593 2.373 1.00 0.00 C ATOM 690 C TRP A 44 -11.650 -2.507 3.262 1.00 0.00 C ATOM 691 O TRP A 44 -12.109 -2.262 4.360 1.00 0.00 O ATOM 692 CB TRP A 44 -11.169 -4.578 1.959 1.00 0.00 C ATOM 693 CG TRP A 44 -10.570 -5.191 3.182 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.462 -4.737 3.808 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.026 -6.349 3.941 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.204 -5.544 4.902 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.141 -6.551 5.026 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.109 -7.234 3.794 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.323 -7.595 5.933 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.296 -8.286 4.705 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.405 -8.466 5.773 1.00 0.00 C ATOM 0 H TRP A 44 -12.810 -1.955 1.125 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.033 -4.122 2.927 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.588 -5.353 1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.400 -4.067 1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.874 -3.884 3.504 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.418 -5.411 5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.801 -7.104 2.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.633 -7.730 6.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.131 -8.960 4.583 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.554 -9.276 6.471 1.00 0.00 H new ATOM 712 N VAL A 45 -10.620 -1.860 2.798 1.00 0.00 N ATOM 713 CA VAL A 45 -9.979 -0.797 3.613 1.00 0.00 C ATOM 714 C VAL A 45 -11.009 0.286 3.945 1.00 0.00 C ATOM 715 O VAL A 45 -11.811 0.668 3.116 1.00 0.00 O ATOM 716 CB VAL A 45 -8.821 -0.180 2.827 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.014 0.738 3.746 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.912 -1.293 2.297 1.00 0.00 C ATOM 0 H VAL A 45 -10.194 -2.023 1.886 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.599 -1.229 4.539 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.217 0.396 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.188 1.178 3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.659 1.531 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.619 0.160 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.087 -0.853 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.516 -1.869 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.485 -1.950 1.643 1.00 0.00 H new ATOM 728 N GLU A 46 -10.995 0.786 5.152 1.00 0.00 N ATOM 729 CA GLU A 46 -11.976 1.844 5.530 1.00 0.00 C ATOM 730 C GLU A 46 -11.365 3.222 5.277 1.00 0.00 C ATOM 731 O GLU A 46 -10.249 3.500 5.667 1.00 0.00 O ATOM 732 CB GLU A 46 -12.336 1.711 7.010 1.00 0.00 C ATOM 733 CG GLU A 46 -11.074 1.872 7.860 1.00 0.00 C ATOM 734 CD GLU A 46 -11.423 1.660 9.335 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.275 0.831 9.608 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.831 2.330 10.165 1.00 0.00 O ATOM 0 H GLU A 46 -10.349 0.508 5.890 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.877 1.729 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.071 2.467 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.792 0.739 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.317 1.152 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.649 2.865 7.715 1.00 0.00 H new ATOM 743 N TYR A 47 -12.094 4.086 4.624 1.00 0.00 N ATOM 744 CA TYR A 47 -11.567 5.451 4.334 1.00 0.00 C ATOM 745 C TYR A 47 -12.411 6.484 5.095 1.00 0.00 C ATOM 746 O TYR A 47 -13.461 6.145 5.605 1.00 0.00 O ATOM 747 CB TYR A 47 -11.649 5.690 2.819 1.00 0.00 C ATOM 748 CG TYR A 47 -10.656 4.791 2.104 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.640 4.143 2.819 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.752 4.604 0.721 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.730 3.318 2.156 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.843 3.771 0.063 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.831 3.130 0.779 1.00 0.00 C ATOM 754 OH TYR A 47 -7.936 2.306 0.129 1.00 0.00 O ATOM 0 H TYR A 47 -13.036 3.905 4.277 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.530 5.545 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.659 5.487 2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.436 6.735 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.561 4.282 3.887 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.529 5.104 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.946 2.824 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.924 3.623 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.028 2.497 0.443 1.00 0.00 H new ATOM 764 N PRO A 48 -11.941 7.714 5.174 1.00 0.00 N ATOM 765 CA PRO A 48 -10.664 8.168 4.565 1.00 0.00 C ATOM 766 C PRO A 48 -9.461 7.408 5.129 1.00 0.00 C ATOM 767 O PRO A 48 -9.361 7.168 6.316 1.00 0.00 O ATOM 768 CB PRO A 48 -10.561 9.655 4.936 1.00 0.00 C ATOM 769 CG PRO A 48 -11.816 10.026 5.764 1.00 0.00 C ATOM 770 CD PRO A 48 -12.679 8.763 5.900 1.00 0.00 C ATOM 0 HA PRO A 48 -10.657 7.993 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.655 9.843 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.501 10.269 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.528 10.400 6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.377 10.821 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.821 8.493 6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.670 8.915 5.473 1.00 0.00 H new ATOM 778 N LEU A 49 -8.546 7.029 4.276 1.00 0.00 N ATOM 779 CA LEU A 49 -7.342 6.284 4.743 1.00 0.00 C ATOM 780 C LEU A 49 -6.099 7.130 4.494 1.00 0.00 C ATOM 781 O LEU A 49 -6.057 7.949 3.600 1.00 0.00 O ATOM 782 CB LEU A 49 -7.217 4.974 3.944 1.00 0.00 C ATOM 783 CG LEU A 49 -5.755 4.498 3.874 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.307 3.985 5.245 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.635 3.375 2.842 1.00 0.00 C ATOM 0 H LEU A 49 -8.582 7.205 3.272 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.437 6.066 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.831 4.202 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.602 5.123 2.935 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.119 5.333 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.271 3.650 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.389 4.787 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.942 3.152 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.600 3.037 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.275 2.542 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.944 3.745 1.864 1.00 0.00 H new ATOM 797 N VAL A 50 -5.068 6.892 5.245 1.00 0.00 N ATOM 798 CA VAL A 50 -3.809 7.631 5.013 1.00 0.00 C ATOM 799 C VAL A 50 -2.755 6.601 4.597 1.00 0.00 C ATOM 800 O VAL A 50 -2.619 5.563 5.208 1.00 0.00 O ATOM 801 CB VAL A 50 -3.376 8.373 6.299 1.00 0.00 C ATOM 802 CG1 VAL A 50 -1.977 7.926 6.749 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.347 9.877 6.029 1.00 0.00 C ATOM 0 H VAL A 50 -5.044 6.217 6.009 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.936 8.383 4.235 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.092 8.138 7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.697 8.463 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.984 6.855 6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.255 8.142 5.962 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.042 10.403 6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.638 10.089 5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.341 10.212 5.731 1.00 0.00 H new ATOM 813 N LEU A 51 -1.990 6.887 3.594 1.00 0.00 N ATOM 814 CA LEU A 51 -0.932 5.930 3.190 1.00 0.00 C ATOM 815 C LEU A 51 0.401 6.617 3.419 1.00 0.00 C ATOM 816 O LEU A 51 0.990 7.179 2.518 1.00 0.00 O ATOM 817 CB LEU A 51 -1.065 5.523 1.716 1.00 0.00 C ATOM 818 CG LEU A 51 0.108 4.608 1.350 1.00 0.00 C ATOM 819 CD1 LEU A 51 0.044 3.337 2.191 1.00 0.00 C ATOM 820 CD2 LEU A 51 0.028 4.217 -0.123 1.00 0.00 C ATOM 0 H LEU A 51 -2.048 7.739 3.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.018 5.017 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.011 5.008 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.067 6.407 1.079 1.00 0.00 H new ATOM 0 HG LEU A 51 1.040 5.141 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.879 2.686 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.103 3.597 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.895 2.819 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.866 3.567 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.908 3.690 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.068 5.114 -0.740 1.00 0.00 H new ATOM 832 N GLU A 52 0.870 6.592 4.631 1.00 0.00 N ATOM 833 CA GLU A 52 2.154 7.259 4.938 1.00 0.00 C ATOM 834 C GLU A 52 3.286 6.372 4.440 1.00 0.00 C ATOM 835 O GLU A 52 3.883 5.611 5.180 1.00 0.00 O ATOM 836 CB GLU A 52 2.266 7.470 6.449 1.00 0.00 C ATOM 837 CG GLU A 52 3.674 7.957 6.797 1.00 0.00 C ATOM 838 CD GLU A 52 3.649 8.659 8.156 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.964 9.663 8.269 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.314 8.182 9.060 1.00 0.00 O ATOM 0 H GLU A 52 0.416 6.136 5.423 1.00 0.00 H new ATOM 0 HA GLU A 52 2.209 8.230 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.526 8.199 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.053 6.538 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.366 7.115 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.034 8.641 6.029 1.00 0.00 H new ATOM 847 N TRP A 53 3.577 6.465 3.174 1.00 0.00 N ATOM 848 CA TRP A 53 4.661 5.642 2.598 1.00 0.00 C ATOM 849 C TRP A 53 5.997 6.180 3.102 1.00 0.00 C ATOM 850 O TRP A 53 6.429 7.251 2.722 1.00 0.00 O ATOM 851 CB TRP A 53 4.608 5.727 1.075 1.00 0.00 C ATOM 852 CG TRP A 53 5.181 4.478 0.498 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.448 4.048 0.694 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.538 3.487 -0.358 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.628 2.861 0.011 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.481 2.475 -0.653 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.243 3.369 -0.905 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.157 1.386 -1.457 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.918 2.269 -1.720 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.874 1.284 -1.993 1.00 0.00 C ATOM 0 H TRP A 53 3.104 7.082 2.513 1.00 0.00 H new ATOM 0 HA TRP A 53 4.545 4.600 2.898 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.579 5.858 0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.169 6.594 0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.197 4.551 1.288 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.501 2.334 -0.001 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.500 4.124 -0.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.895 0.625 -1.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.925 2.184 -2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.617 0.443 -2.620 1.00 0.00 H new ATOM 871 N ARG A 54 6.651 5.458 3.965 1.00 0.00 N ATOM 872 CA ARG A 54 7.950 5.943 4.501 1.00 0.00 C ATOM 873 C ARG A 54 9.082 5.485 3.584 1.00 0.00 C ATOM 874 O ARG A 54 9.089 4.373 3.096 1.00 0.00 O ATOM 875 CB ARG A 54 8.168 5.373 5.904 1.00 0.00 C ATOM 876 CG ARG A 54 9.388 6.038 6.542 1.00 0.00 C ATOM 877 CD ARG A 54 8.929 7.019 7.622 1.00 0.00 C ATOM 878 NE ARG A 54 8.056 6.310 8.599 1.00 0.00 N ATOM 879 CZ ARG A 54 7.790 6.854 9.757 1.00 0.00 C ATOM 880 NH1 ARG A 54 8.218 8.056 10.031 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.094 6.193 10.641 1.00 0.00 N ATOM 0 H ARG A 54 6.343 4.554 4.322 1.00 0.00 H new ATOM 0 HA ARG A 54 7.939 7.032 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.284 5.544 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.315 4.294 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.042 5.282 6.977 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.968 6.562 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.793 7.445 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.386 7.848 7.168 1.00 0.00 H new ATOM 0 HE ARG A 54 7.665 5.398 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.762 8.574 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.009 8.478 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.759 5.254 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.885 6.616 11.546 1.00 0.00 H new ATOM 895 N GLN A 55 10.034 6.346 3.345 1.00 0.00 N ATOM 896 CA GLN A 55 11.175 5.989 2.458 1.00 0.00 C ATOM 897 C GLN A 55 10.762 6.155 0.991 1.00 0.00 C ATOM 898 O GLN A 55 11.058 7.158 0.373 1.00 0.00 O ATOM 899 CB GLN A 55 11.619 4.545 2.727 1.00 0.00 C ATOM 900 CG GLN A 55 13.014 4.324 2.139 1.00 0.00 C ATOM 901 CD GLN A 55 14.053 5.026 3.015 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.102 6.239 3.067 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.893 4.310 3.711 1.00 0.00 N ATOM 0 H GLN A 55 10.069 7.290 3.731 1.00 0.00 H new ATOM 0 HA GLN A 55 12.013 6.654 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.629 4.350 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.910 3.846 2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.232 3.257 2.082 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.058 4.713 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.853 3.292 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.590 4.769 4.298 1.00 0.00 H new ATOM 912 N PHE A 56 10.089 5.186 0.425 1.00 0.00 N ATOM 913 CA PHE A 56 9.677 5.295 -1.005 1.00 0.00 C ATOM 914 C PHE A 56 10.918 5.503 -1.867 1.00 0.00 C ATOM 915 O PHE A 56 11.909 6.025 -1.409 1.00 0.00 O ATOM 916 CB PHE A 56 8.738 6.479 -1.202 1.00 0.00 C ATOM 917 CG PHE A 56 7.906 6.235 -2.438 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.740 5.462 -2.359 1.00 0.00 C ATOM 919 CD2 PHE A 56 8.310 6.767 -3.668 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.979 5.221 -3.511 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.549 6.529 -4.818 1.00 0.00 C ATOM 922 CZ PHE A 56 6.384 5.756 -4.740 1.00 0.00 C ATOM 0 H PHE A 56 9.807 4.324 0.892 1.00 0.00 H new ATOM 0 HA PHE A 56 9.161 4.379 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.094 6.600 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.309 7.401 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.428 5.052 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.210 7.362 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.081 4.623 -3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.860 6.942 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.798 5.572 -5.628 1.00 0.00 H new ATOM 932 N GLU A 57 10.870 5.092 -3.106 1.00 0.00 N ATOM 933 CA GLU A 57 12.055 5.250 -3.999 1.00 0.00 C ATOM 934 C GLU A 57 13.061 4.153 -3.654 1.00 0.00 C ATOM 935 O GLU A 57 13.314 3.262 -4.440 1.00 0.00 O ATOM 936 CB GLU A 57 12.689 6.629 -3.797 1.00 0.00 C ATOM 937 CG GLU A 57 12.692 7.391 -5.124 1.00 0.00 C ATOM 938 CD GLU A 57 11.876 8.678 -4.973 1.00 0.00 C ATOM 939 OE1 GLU A 57 11.123 8.771 -4.018 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.019 9.548 -5.816 1.00 0.00 O ATOM 0 H GLU A 57 10.058 4.652 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 57 11.751 5.166 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.133 7.190 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.708 6.521 -3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.715 7.628 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.269 6.770 -5.914 1.00 0.00 H new ATOM 947 N GLN A 58 13.614 4.188 -2.471 1.00 0.00 N ATOM 948 CA GLN A 58 14.560 3.129 -2.068 1.00 0.00 C ATOM 949 C GLN A 58 13.748 1.852 -1.876 1.00 0.00 C ATOM 950 O GLN A 58 14.238 0.751 -2.030 1.00 0.00 O ATOM 951 CB GLN A 58 15.242 3.515 -0.754 1.00 0.00 C ATOM 952 CG GLN A 58 16.076 4.781 -0.964 1.00 0.00 C ATOM 953 CD GLN A 58 17.099 4.541 -2.076 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.170 5.296 -3.025 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.901 3.515 -1.998 1.00 0.00 N ATOM 0 H GLN A 58 13.445 4.910 -1.770 1.00 0.00 H new ATOM 0 HA GLN A 58 15.333 2.988 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.494 3.684 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.879 2.700 -0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.427 5.617 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.585 5.051 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.842 2.881 -1.201 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.587 3.347 -2.734 1.00 0.00 H new ATOM 964 N SER A 59 12.487 2.010 -1.563 1.00 0.00 N ATOM 965 CA SER A 59 11.595 0.833 -1.383 1.00 0.00 C ATOM 966 C SER A 59 10.831 0.596 -2.689 1.00 0.00 C ATOM 967 O SER A 59 9.953 -0.239 -2.767 1.00 0.00 O ATOM 968 CB SER A 59 10.602 1.106 -0.254 1.00 0.00 C ATOM 969 OG SER A 59 10.837 0.190 0.807 1.00 0.00 O ATOM 0 H SER A 59 12.036 2.914 -1.424 1.00 0.00 H new ATOM 0 HA SER A 59 12.187 -0.046 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.711 2.130 0.103 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.580 1.003 -0.619 1.00 0.00 H new ATOM 0 HG SER A 59 10.127 -0.485 0.819 1.00 0.00 H new ATOM 975 N LYS A 60 11.176 1.322 -3.720 1.00 0.00 N ATOM 976 CA LYS A 60 10.493 1.141 -5.029 1.00 0.00 C ATOM 977 C LYS A 60 11.427 0.380 -5.975 1.00 0.00 C ATOM 978 O LYS A 60 10.996 -0.240 -6.926 1.00 0.00 O ATOM 979 CB LYS A 60 10.167 2.513 -5.626 1.00 0.00 C ATOM 980 CG LYS A 60 9.330 2.334 -6.894 1.00 0.00 C ATOM 981 CD LYS A 60 9.689 3.429 -7.901 1.00 0.00 C ATOM 982 CE LYS A 60 9.490 2.901 -9.323 1.00 0.00 C ATOM 983 NZ LYS A 60 10.683 3.238 -10.150 1.00 0.00 N ATOM 0 H LYS A 60 11.905 2.035 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 60 9.569 0.579 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.622 3.117 -4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.088 3.048 -5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.514 1.351 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.268 2.382 -6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.064 4.307 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.723 3.743 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.341 1.821 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.594 3.339 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.548 2.879 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.806 4.270 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.529 2.800 -9.733 1.00 0.00 H new ATOM 1083 N ALA A 67 7.065 -0.596 -5.122 1.00 0.00 N ATOM 1084 CA ALA A 67 6.213 0.398 -4.425 1.00 0.00 C ATOM 1085 C ALA A 67 5.473 1.279 -5.435 1.00 0.00 C ATOM 1086 O ALA A 67 4.432 1.829 -5.138 1.00 0.00 O ATOM 1087 CB ALA A 67 7.100 1.269 -3.539 1.00 0.00 C ATOM 0 HA ALA A 67 5.473 -0.126 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.486 2.005 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.611 0.643 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.838 1.782 -4.155 1.00 0.00 H new ATOM 1093 N GLU A 68 5.993 1.421 -6.621 1.00 0.00 N ATOM 1094 CA GLU A 68 5.314 2.263 -7.629 1.00 0.00 C ATOM 1095 C GLU A 68 4.010 1.579 -8.067 1.00 0.00 C ATOM 1096 O GLU A 68 3.087 2.218 -8.532 1.00 0.00 O ATOM 1097 CB GLU A 68 6.281 2.482 -8.811 1.00 0.00 C ATOM 1098 CG GLU A 68 5.718 1.889 -10.104 1.00 0.00 C ATOM 1099 CD GLU A 68 4.562 2.754 -10.607 1.00 0.00 C ATOM 1100 OE1 GLU A 68 4.667 3.965 -10.509 1.00 0.00 O ATOM 1101 OE2 GLU A 68 3.589 2.190 -11.083 1.00 0.00 O ATOM 0 H GLU A 68 6.862 0.987 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 68 5.049 3.237 -7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.460 3.549 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.244 2.023 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.500 1.834 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.373 0.870 -9.928 1.00 0.00 H new ATOM 1108 N SER A 69 3.936 0.285 -7.923 1.00 0.00 N ATOM 1109 CA SER A 69 2.702 -0.447 -8.330 1.00 0.00 C ATOM 1110 C SER A 69 1.634 -0.327 -7.235 1.00 0.00 C ATOM 1111 O SER A 69 0.543 0.165 -7.467 1.00 0.00 O ATOM 1112 CB SER A 69 3.043 -1.920 -8.552 1.00 0.00 C ATOM 1113 OG SER A 69 3.012 -2.205 -9.944 1.00 0.00 O ATOM 0 H SER A 69 4.679 -0.300 -7.540 1.00 0.00 H new ATOM 0 HA SER A 69 2.314 -0.014 -9.252 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.030 -2.142 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.331 -2.554 -8.023 1.00 0.00 H new ATOM 0 HG SER A 69 3.137 -3.167 -10.084 1.00 0.00 H new ATOM 1119 N VAL A 70 1.933 -0.772 -6.043 1.00 0.00 N ATOM 1120 CA VAL A 70 0.931 -0.681 -4.950 1.00 0.00 C ATOM 1121 C VAL A 70 0.515 0.776 -4.798 1.00 0.00 C ATOM 1122 O VAL A 70 -0.643 1.085 -4.604 1.00 0.00 O ATOM 1123 CB VAL A 70 1.544 -1.191 -3.646 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.575 -0.938 -2.492 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.815 -2.692 -3.766 1.00 0.00 C ATOM 0 H VAL A 70 2.825 -1.192 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 70 0.059 -1.291 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 70 2.480 -0.666 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.013 -1.302 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.381 0.131 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.361 -1.463 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.252 -3.058 -2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.879 -3.217 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.507 -2.872 -4.589 1.00 0.00 H new ATOM 1135 N LEU A 71 1.450 1.677 -4.911 1.00 0.00 N ATOM 1136 CA LEU A 71 1.103 3.116 -4.802 1.00 0.00 C ATOM 1137 C LEU A 71 0.167 3.471 -5.947 1.00 0.00 C ATOM 1138 O LEU A 71 -0.761 4.221 -5.785 1.00 0.00 O ATOM 1139 CB LEU A 71 2.364 3.957 -4.923 1.00 0.00 C ATOM 1140 CG LEU A 71 1.983 5.433 -5.070 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.481 5.969 -3.729 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.210 6.233 -5.510 1.00 0.00 C ATOM 0 H LEU A 71 2.437 1.477 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 71 0.628 3.310 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.992 3.819 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.948 3.634 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 71 1.195 5.531 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.210 7.019 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.607 5.399 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.267 5.871 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.941 7.284 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.997 6.133 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.568 5.853 -6.467 1.00 0.00 H new ATOM 1154 N GLN A 72 0.408 2.930 -7.108 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.479 3.228 -8.266 1.00 0.00 C ATOM 1156 C GLN A 72 -1.894 2.792 -7.903 1.00 0.00 C ATOM 1157 O GLN A 72 -2.871 3.413 -8.269 1.00 0.00 O ATOM 1158 CB GLN A 72 0.038 2.460 -9.503 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.009 1.471 -10.041 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.385 0.616 -11.144 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.347 -0.681 -11.005 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 0.075 1.134 -12.143 1.00 0.00 N flip ATOM 0 H GLN A 72 1.181 2.294 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.481 4.293 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.304 3.170 -10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.948 1.919 -9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.371 0.834 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.871 2.013 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.045 2.148 -12.252 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.491 0.555 -12.873 1.00 0.00 H new ATOM 1171 N VAL A 73 -1.993 1.715 -7.192 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.314 1.194 -6.789 1.00 0.00 C ATOM 1173 C VAL A 73 -3.893 2.061 -5.668 1.00 0.00 C ATOM 1174 O VAL A 73 -5.090 2.204 -5.541 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.118 -0.233 -6.301 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.394 -0.753 -5.644 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -2.731 -1.112 -7.495 1.00 0.00 C ATOM 0 H VAL A 73 -1.198 1.164 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.009 1.214 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.324 -0.260 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.236 -1.775 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.650 -0.120 -4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.209 -0.735 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.587 -2.139 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.525 -1.082 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.805 -0.741 -7.935 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.054 2.634 -4.850 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.571 3.487 -3.736 1.00 0.00 C ATOM 1189 C PHE A 74 -4.036 4.839 -4.295 1.00 0.00 C ATOM 1190 O PHE A 74 -5.027 5.398 -3.864 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.465 3.707 -2.696 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.670 2.754 -1.546 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.755 2.926 -0.682 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.779 1.692 -1.349 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.951 2.037 0.380 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.974 0.804 -0.285 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.061 0.977 0.579 1.00 0.00 C ATOM 0 H PHE A 74 -2.039 2.551 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.414 2.986 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.487 3.545 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.485 4.737 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.442 3.745 -0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.942 1.558 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.790 2.169 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.286 -0.014 -0.131 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.213 0.292 1.400 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.332 5.358 -5.259 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.711 6.655 -5.865 1.00 0.00 C ATOM 1209 C ARG A 75 -4.829 6.413 -6.861 1.00 0.00 C ATOM 1210 O ARG A 75 -5.663 7.259 -7.092 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.510 7.242 -6.587 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.088 8.549 -5.915 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.723 9.578 -6.987 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.967 10.084 -7.633 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.930 11.166 -8.362 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.996 11.315 -9.261 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.828 12.097 -8.194 1.00 0.00 N ATOM 0 H ARG A 75 -2.497 4.929 -5.657 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.042 7.349 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.683 6.532 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.756 7.424 -7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.898 8.928 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.236 8.374 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.170 10.404 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.071 9.125 -7.734 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.847 9.585 -7.505 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.295 10.586 -9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.967 12.160 -9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.559 11.980 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.799 12.942 -8.764 1.00 0.00 H new ATOM 1231 N GLU A 76 -4.857 5.244 -7.434 1.00 0.00 N ATOM 1232 CA GLU A 76 -5.936 4.909 -8.392 1.00 0.00 C ATOM 1233 C GLU A 76 -7.211 4.799 -7.571 1.00 0.00 C ATOM 1234 O GLU A 76 -8.239 5.346 -7.911 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.622 3.570 -9.049 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.863 3.786 -10.359 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.823 3.620 -11.539 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.989 3.357 -11.295 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.376 3.759 -12.665 1.00 0.00 O ATOM 0 H GLU A 76 -4.173 4.504 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.035 5.660 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.027 2.956 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.547 3.026 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.420 4.782 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.044 3.071 -10.439 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.127 4.125 -6.454 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.300 4.015 -5.568 1.00 0.00 C ATOM 1248 C ALA A 77 -8.622 5.433 -5.121 1.00 0.00 C ATOM 1249 O ALA A 77 -9.767 5.824 -5.012 1.00 0.00 O ATOM 1250 CB ALA A 77 -7.968 3.138 -4.356 1.00 0.00 C ATOM 0 H ALA A 77 -6.288 3.647 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.146 3.556 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.842 3.065 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.683 2.142 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.142 3.583 -3.800 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.600 6.227 -4.908 1.00 0.00 N ATOM 1257 CA LYS A 78 -7.835 7.641 -4.525 1.00 0.00 C ATOM 1258 C LYS A 78 -8.595 8.297 -5.669 1.00 0.00 C ATOM 1259 O LYS A 78 -9.414 9.176 -5.485 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.491 8.341 -4.373 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.500 9.222 -3.123 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.411 10.693 -3.535 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.600 11.460 -2.954 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.112 12.449 -1.952 1.00 0.00 N ATOM 0 H LYS A 78 -6.621 5.952 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.391 7.705 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.693 7.602 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.286 8.948 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.410 9.048 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.662 8.963 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.476 11.125 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.406 10.777 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.141 11.970 -3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.300 10.767 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.920 12.971 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.614 11.951 -1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.461 13.117 -2.412 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.306 7.853 -6.856 1.00 0.00 N ATOM 1279 CA ALA A 79 -8.962 8.392 -8.065 1.00 0.00 C ATOM 1280 C ALA A 79 -10.391 7.865 -8.129 1.00 0.00 C ATOM 1281 O ALA A 79 -11.273 8.469 -8.707 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.179 7.907 -9.282 1.00 0.00 C ATOM 0 H ALA A 79 -7.623 7.118 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.983 9.482 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.643 8.292 -10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.151 8.265 -9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.182 6.817 -9.306 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.610 6.729 -7.536 1.00 0.00 N ATOM 1289 CA GLU A 80 -11.958 6.111 -7.534 1.00 0.00 C ATOM 1290 C GLU A 80 -12.924 6.938 -6.678 1.00 0.00 C ATOM 1291 O GLU A 80 -14.089 6.616 -6.559 1.00 0.00 O ATOM 1292 CB GLU A 80 -11.841 4.701 -6.953 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.494 3.721 -8.072 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.780 3.136 -8.658 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.844 3.578 -8.258 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.678 2.257 -9.498 1.00 0.00 O ATOM 0 H GLU A 80 -9.896 6.193 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.344 6.074 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.072 4.676 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.779 4.412 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.926 4.229 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.862 2.922 -7.686 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.451 7.992 -6.070 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.345 8.820 -5.214 1.00 0.00 C ATOM 1305 C GLY A 81 -13.015 8.544 -3.747 1.00 0.00 C ATOM 1306 O GLY A 81 -13.492 9.213 -2.853 1.00 0.00 O ATOM 0 H GLY A 81 -11.485 8.314 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.209 9.878 -5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.389 8.582 -5.417 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.194 7.559 -3.498 1.00 0.00 N ATOM 1311 CA CYS A 82 -11.820 7.228 -2.100 1.00 0.00 C ATOM 1312 C CYS A 82 -10.952 8.349 -1.527 1.00 0.00 C ATOM 1313 O CYS A 82 -10.403 9.154 -2.253 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.031 5.921 -2.098 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.176 4.522 -2.186 1.00 0.00 S ATOM 0 H CYS A 82 -11.766 6.968 -4.210 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.717 7.120 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.345 5.897 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.425 5.852 -1.195 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.965 3.725 -1.181 1.00 0.00 H new ATOM 1321 N ASP A 83 -10.825 8.412 -0.230 1.00 0.00 N ATOM 1322 CA ASP A 83 -9.997 9.484 0.383 1.00 0.00 C ATOM 1323 C ASP A 83 -8.717 8.882 0.970 1.00 0.00 C ATOM 1324 O ASP A 83 -8.480 8.941 2.161 1.00 0.00 O ATOM 1325 CB ASP A 83 -10.801 10.159 1.491 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.157 11.501 1.847 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -8.952 11.527 2.032 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.881 12.480 1.927 1.00 0.00 O ATOM 0 H ASP A 83 -11.259 7.767 0.430 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.727 10.217 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.830 10.313 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.837 9.517 2.371 1.00 0.00 H new ATOM 1333 N ILE A 84 -7.883 8.314 0.142 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.612 7.722 0.649 1.00 0.00 C ATOM 1335 C ILE A 84 -5.501 8.772 0.533 1.00 0.00 C ATOM 1336 O ILE A 84 -4.799 8.835 -0.457 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.238 6.511 -0.198 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.224 5.385 0.061 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.829 6.045 0.167 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.725 4.865 -1.279 1.00 0.00 C ATOM 0 H ILE A 84 -8.027 8.234 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.738 7.415 1.687 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.268 6.786 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.745 4.584 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.058 5.743 0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.564 5.179 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.119 6.851 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.798 5.772 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.435 4.055 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.216 5.672 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.883 4.495 -1.864 1.00 0.00 H new ATOM 1352 N THR A 85 -5.339 9.601 1.525 1.00 0.00 N ATOM 1353 CA THR A 85 -4.278 10.649 1.456 1.00 0.00 C ATOM 1354 C THR A 85 -2.911 9.991 1.250 1.00 0.00 C ATOM 1355 O THR A 85 -2.288 9.531 2.184 1.00 0.00 O ATOM 1356 CB THR A 85 -4.270 11.450 2.762 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.408 12.299 2.800 1.00 0.00 O ATOM 1358 CG2 THR A 85 -2.998 12.296 2.841 1.00 0.00 C ATOM 0 H THR A 85 -5.894 9.600 2.381 1.00 0.00 H new ATOM 0 HA THR A 85 -4.483 11.316 0.619 1.00 0.00 H new ATOM 0 HB THR A 85 -4.297 10.763 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.406 12.811 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.996 12.864 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.125 11.644 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.965 12.984 1.996 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.436 9.948 0.034 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.107 9.321 -0.225 1.00 0.00 C ATOM 1368 C ILE A 86 0.000 10.218 0.334 1.00 0.00 C ATOM 1369 O ILE A 86 0.333 11.237 -0.237 1.00 0.00 O ATOM 1370 CB ILE A 86 -0.900 9.147 -1.732 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.147 8.514 -2.356 1.00 0.00 C ATOM 1372 CG2 ILE A 86 0.307 8.240 -1.978 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.320 7.089 -1.827 1.00 0.00 C ATOM 0 H ILE A 86 -2.909 10.319 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.072 8.346 0.261 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.725 10.122 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.028 9.110 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.055 8.501 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.456 8.115 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.197 8.691 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.130 7.267 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.208 6.641 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.444 6.495 -2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.431 7.114 -0.743 1.00 0.00 H new ATOM 1385 N ILE A 87 0.577 9.844 1.443 1.00 0.00 N ATOM 1386 CA ILE A 87 1.666 10.674 2.031 1.00 0.00 C ATOM 1387 C ILE A 87 3.017 10.032 1.708 1.00 0.00 C ATOM 1388 O ILE A 87 3.443 9.097 2.356 1.00 0.00 O ATOM 1389 CB ILE A 87 1.484 10.759 3.548 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.300 11.676 3.866 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.753 11.329 4.185 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.332 11.252 5.193 1.00 0.00 C ATOM 0 H ILE A 87 0.342 9.001 1.967 1.00 0.00 H new ATOM 0 HA ILE A 87 1.630 11.679 1.610 1.00 0.00 H new ATOM 0 HB ILE A 87 1.294 9.763 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.634 12.712 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.439 11.624 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.622 11.389 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.598 10.679 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.944 12.325 3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.175 11.905 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.681 10.222 5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.409 11.327 5.989 1.00 0.00 H new ATOM 1404 N LEU A 88 3.690 10.524 0.704 1.00 0.00 N ATOM 1405 CA LEU A 88 5.009 9.941 0.330 1.00 0.00 C ATOM 1406 C LEU A 88 6.135 10.737 0.992 1.00 0.00 C ATOM 1407 O LEU A 88 6.373 11.883 0.666 1.00 0.00 O ATOM 1408 CB LEU A 88 5.166 9.993 -1.189 1.00 0.00 C ATOM 1409 CG LEU A 88 3.951 9.348 -1.877 1.00 0.00 C ATOM 1410 CD1 LEU A 88 4.416 8.658 -3.153 1.00 0.00 C ATOM 1411 CD2 LEU A 88 3.293 8.302 -0.964 1.00 0.00 C ATOM 0 H LEU A 88 3.382 11.306 0.126 1.00 0.00 H new ATOM 0 HA LEU A 88 5.060 8.906 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.269 11.028 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.077 9.473 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 88 3.223 10.128 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.562 8.197 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.870 9.392 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.149 7.891 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.437 7.861 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.015 7.521 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.960 8.781 -0.043 1.00 0.00 H new ATOM 1423 N SER A 89 6.829 10.140 1.922 1.00 0.00 N ATOM 1424 CA SER A 89 7.939 10.865 2.604 1.00 0.00 C ATOM 1425 C SER A 89 9.270 10.496 1.946 1.00 0.00 C ATOM 1426 O SER A 89 9.276 10.286 0.744 1.00 0.00 O ATOM 1427 CB SER A 89 7.975 10.470 4.081 1.00 0.00 C ATOM 1428 OG SER A 89 8.306 9.091 4.190 1.00 0.00 O ATOM 1429 OXT SER A 89 10.261 10.431 2.654 1.00 0.00 O ATOM 0 H SER A 89 6.676 9.183 2.239 1.00 0.00 H new ATOM 0 HA SER A 89 7.777 11.939 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.709 11.075 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.007 10.661 4.544 1.00 0.00 H new ATOM 0 HG SER A 89 8.730 8.924 5.058 1.00 0.00 H new