USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 876 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 7 THR OG1 : rot 125:sc= 1.57 USER MOD Set 1.2: A 9 THR OG1 : rot 170:sc= 0.751 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.166 (180deg=-0.254) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.711 (180deg=0.673) USER MOD Single : A 2 GLN : amide:sc= -0.114 X(o=-0.11,f=0.0055) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0731 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 25 ASN : amide:sc= -0.862! X(o=-0.86!,f=-0.73) USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 1.91 (180deg=1.58) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.957 (180deg=0.939) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= 0.835 (180deg=0.685) USER MOD Single : A 40 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.95) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.102 USER MOD Single : A 59 TYR OH : rot 15:sc= -0.0198 USER MOD Single : A 60 ASN : amide:sc= 0.0867 X(o=0.087,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.475 X(o=0.47,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 57:sc= 0.922 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.07 X(o=-0.07,f=-0.21) USER MOD Single : B 678 THR OG1 : rot 180:sc= 0 USER MOD Single : B 681 SER OG : rot 180:sc= 0.00143 USER MOD Single : B 686 GLN : amide:sc= 1.37 K(o=1.4,f=-0.37) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.238 K(o=0.24,f=-0.63) USER MOD Single : B 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 704 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 706 THR OG1 : rot -86:sc= 0.852 USER MOD Single : B 708 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.296 1.685 0.462 1.00 0.00 N ATOM 2 CA MET A 1 2.092 1.575 -0.809 1.00 0.00 C ATOM 3 C MET A 1 1.845 2.781 -1.720 1.00 0.00 C ATOM 4 O MET A 1 0.891 3.507 -1.489 1.00 0.00 O ATOM 5 CB MET A 1 1.832 0.262 -1.590 1.00 0.00 C ATOM 6 CG MET A 1 0.462 0.066 -2.261 1.00 0.00 C ATOM 7 SD MET A 1 0.309 -1.579 -3.004 1.00 0.00 S ATOM 8 CE MET A 1 -0.828 -1.290 -4.390 1.00 0.00 C ATOM 0 H1 MET A 1 1.375 0.798 0.999 1.00 0.00 H new ATOM 0 H2 MET A 1 1.665 2.470 1.036 1.00 0.00 H new ATOM 0 H3 MET A 1 0.298 1.863 0.232 1.00 0.00 H new ATOM 0 HA MET A 1 3.137 1.559 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.595 0.180 -2.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.986 -0.569 -0.902 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.328 0.207 -1.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.321 0.827 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.111 -2.245 -4.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.721 -0.780 -4.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.336 -0.672 -5.141 1.00 0.00 H new ATOM 20 N GLN A 2 2.595 2.947 -2.819 1.00 0.00 N ATOM 21 CA GLN A 2 2.314 3.985 -3.818 1.00 0.00 C ATOM 22 C GLN A 2 2.272 3.398 -5.212 1.00 0.00 C ATOM 23 O GLN A 2 2.924 2.382 -5.450 1.00 0.00 O ATOM 24 CB GLN A 2 3.319 5.157 -3.709 1.00 0.00 C ATOM 25 CG GLN A 2 4.627 5.087 -4.521 1.00 0.00 C ATOM 26 CD GLN A 2 5.634 4.158 -3.863 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.522 4.558 -3.118 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.449 2.875 -4.115 1.00 0.00 N ATOM 0 H GLN A 2 3.407 2.370 -3.038 1.00 0.00 H new ATOM 0 HA GLN A 2 1.326 4.396 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.797 6.068 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.587 5.266 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.413 4.738 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.055 6.085 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.699 2.581 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.056 2.178 -3.684 1.00 0.00 H new ATOM 37 N ILE A 3 1.612 4.085 -6.135 1.00 0.00 N ATOM 38 CA ILE A 3 1.562 3.708 -7.548 1.00 0.00 C ATOM 39 C ILE A 3 1.701 4.965 -8.384 1.00 0.00 C ATOM 40 O ILE A 3 1.400 6.056 -7.917 1.00 0.00 O ATOM 41 CB ILE A 3 0.260 2.944 -7.857 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.968 3.726 -7.345 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.348 1.527 -7.253 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.237 3.439 -8.138 1.00 0.00 C ATOM 0 H ILE A 3 1.087 4.934 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 3 2.383 3.033 -7.792 1.00 0.00 H new ATOM 0 HB ILE A 3 0.136 2.846 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.138 3.477 -6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.754 4.794 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.571 0.982 -7.469 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.195 0.997 -7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.482 1.599 -6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.062 4.020 -7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.084 3.714 -9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.474 2.377 -8.074 1.00 0.00 H new ATOM 56 N PHE A 4 2.157 4.787 -9.613 1.00 0.00 N ATOM 57 CA PHE A 4 2.553 5.847 -10.525 1.00 0.00 C ATOM 58 C PHE A 4 1.537 5.911 -11.649 1.00 0.00 C ATOM 59 O PHE A 4 1.573 5.136 -12.592 1.00 0.00 O ATOM 60 CB PHE A 4 3.971 5.570 -11.049 1.00 0.00 C ATOM 61 CG PHE A 4 4.948 4.973 -10.062 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.219 5.658 -8.873 1.00 0.00 C ATOM 63 CD2 PHE A 4 5.608 3.764 -10.336 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.122 5.135 -7.937 1.00 0.00 C ATOM 65 CE2 PHE A 4 6.557 3.276 -9.421 1.00 0.00 C ATOM 66 CZ PHE A 4 6.814 3.950 -8.219 1.00 0.00 C ATOM 0 H PHE A 4 2.266 3.858 -10.020 1.00 0.00 H new ATOM 0 HA PHE A 4 2.575 6.812 -10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.894 4.897 -11.903 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.388 6.507 -11.418 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.728 6.599 -8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.389 3.215 -11.240 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.284 5.645 -6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.096 2.368 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.537 3.560 -7.518 1.00 0.00 H new ATOM 76 N VAL A 5 0.577 6.810 -11.561 1.00 0.00 N ATOM 77 CA VAL A 5 -0.430 6.939 -12.612 1.00 0.00 C ATOM 78 C VAL A 5 0.155 7.886 -13.642 1.00 0.00 C ATOM 79 O VAL A 5 0.259 9.083 -13.400 1.00 0.00 O ATOM 80 CB VAL A 5 -1.782 7.375 -12.034 1.00 0.00 C ATOM 81 CG1 VAL A 5 -2.857 7.421 -13.136 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.215 6.410 -10.923 1.00 0.00 C ATOM 0 H VAL A 5 0.467 7.460 -10.782 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.654 5.988 -13.095 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.670 8.376 -11.617 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.808 7.733 -12.704 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.558 8.132 -13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.967 6.431 -13.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.176 6.728 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.308 5.404 -11.331 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.469 6.412 -10.128 1.00 0.00 H new ATOM 92 N LYS A 6 0.601 7.364 -14.778 1.00 0.00 N ATOM 93 CA LYS A 6 1.074 8.198 -15.865 1.00 0.00 C ATOM 94 C LYS A 6 -0.155 8.805 -16.509 1.00 0.00 C ATOM 95 O LYS A 6 -1.062 8.071 -16.907 1.00 0.00 O ATOM 96 CB LYS A 6 1.890 7.337 -16.837 1.00 0.00 C ATOM 97 CG LYS A 6 2.786 8.250 -17.692 1.00 0.00 C ATOM 98 CD LYS A 6 3.522 7.480 -18.803 1.00 0.00 C ATOM 99 CE LYS A 6 4.582 8.296 -19.564 1.00 0.00 C ATOM 100 NZ LYS A 6 5.753 8.701 -18.722 1.00 0.00 N ATOM 0 H LYS A 6 0.643 6.362 -14.966 1.00 0.00 H new ATOM 0 HA LYS A 6 1.733 8.999 -15.529 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.500 6.623 -16.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.223 6.759 -17.477 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.177 9.035 -18.140 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.517 8.742 -17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.004 6.607 -18.362 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.786 7.111 -19.518 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.940 7.709 -20.410 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.113 9.191 -19.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.424 9.246 -19.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.424 9.287 -17.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.225 7.851 -18.352 1.00 0.00 H new ATOM 114 N THR A 7 -0.219 10.124 -16.624 1.00 0.00 N ATOM 115 CA THR A 7 -1.264 10.700 -17.439 1.00 0.00 C ATOM 116 C THR A 7 -0.950 10.392 -18.881 1.00 0.00 C ATOM 117 O THR A 7 0.187 10.106 -19.236 1.00 0.00 O ATOM 118 CB THR A 7 -1.448 12.195 -17.201 1.00 0.00 C ATOM 119 OG1 THR A 7 -0.212 12.835 -17.364 1.00 0.00 O ATOM 120 CG2 THR A 7 -1.984 12.411 -15.799 1.00 0.00 C ATOM 0 H THR A 7 0.415 10.788 -16.181 1.00 0.00 H new ATOM 0 HA THR A 7 -2.219 10.255 -17.160 1.00 0.00 H new ATOM 0 HB THR A 7 -2.158 12.612 -17.915 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.300 13.554 -18.025 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.118 13.478 -15.621 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.942 11.902 -15.693 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.277 12.008 -15.073 1.00 0.00 H new ATOM 128 N LEU A 8 -1.962 10.497 -19.722 1.00 0.00 N ATOM 129 CA LEU A 8 -1.783 10.465 -21.159 1.00 0.00 C ATOM 130 C LEU A 8 -0.907 11.656 -21.604 1.00 0.00 C ATOM 131 O LEU A 8 -0.419 11.582 -22.720 1.00 0.00 O ATOM 132 CB LEU A 8 -3.182 10.471 -21.805 1.00 0.00 C ATOM 133 CG LEU A 8 -3.813 9.183 -22.354 1.00 0.00 C ATOM 134 CD1 LEU A 8 -5.262 9.406 -22.799 1.00 0.00 C ATOM 135 CD2 LEU A 8 -3.136 8.685 -23.621 1.00 0.00 C ATOM 0 H LEU A 8 -2.932 10.607 -19.426 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.259 9.565 -21.480 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.873 10.872 -21.063 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.149 11.185 -22.628 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.717 8.477 -21.530 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.673 8.472 -23.181 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.856 9.743 -21.949 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.289 10.162 -23.584 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.626 7.773 -23.961 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.210 9.447 -24.397 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.086 8.478 -23.415 1.00 0.00 H new ATOM 147 N THR A 9 -0.657 12.735 -20.827 1.00 0.00 N ATOM 148 CA THR A 9 0.362 13.727 -21.216 1.00 0.00 C ATOM 149 C THR A 9 1.733 13.119 -21.003 1.00 0.00 C ATOM 150 O THR A 9 2.664 13.337 -21.776 1.00 0.00 O ATOM 151 CB THR A 9 0.333 15.015 -20.377 1.00 0.00 C ATOM 152 OG1 THR A 9 -0.540 14.895 -19.276 1.00 0.00 O ATOM 153 CG2 THR A 9 -0.058 16.198 -21.239 1.00 0.00 C ATOM 0 H THR A 9 -1.136 12.935 -19.949 1.00 0.00 H new ATOM 0 HA THR A 9 0.149 13.985 -22.253 1.00 0.00 H new ATOM 0 HB THR A 9 1.337 15.181 -19.986 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.417 15.660 -18.676 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.074 17.102 -20.630 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.666 16.316 -22.045 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.048 16.028 -21.663 1.00 0.00 H new ATOM 161 N GLY A 10 1.826 12.359 -19.918 1.00 0.00 N ATOM 162 CA GLY A 10 3.009 11.668 -19.489 1.00 0.00 C ATOM 163 C GLY A 10 3.459 12.122 -18.118 1.00 0.00 C ATOM 164 O GLY A 10 4.574 11.796 -17.712 1.00 0.00 O ATOM 0 H GLY A 10 1.034 12.209 -19.293 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.817 10.595 -19.472 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.810 11.837 -20.209 1.00 0.00 H new ATOM 168 N LYS A 11 2.610 12.864 -17.399 1.00 0.00 N ATOM 169 CA LYS A 11 2.948 13.341 -16.074 1.00 0.00 C ATOM 170 C LYS A 11 2.602 12.212 -15.149 1.00 0.00 C ATOM 171 O LYS A 11 1.431 11.889 -14.980 1.00 0.00 O ATOM 172 CB LYS A 11 2.180 14.628 -15.759 1.00 0.00 C ATOM 173 CG LYS A 11 2.485 15.140 -14.336 1.00 0.00 C ATOM 174 CD LYS A 11 1.569 14.670 -13.194 1.00 0.00 C ATOM 175 CE LYS A 11 0.063 14.714 -13.482 1.00 0.00 C ATOM 176 NZ LYS A 11 -0.486 16.087 -13.643 1.00 0.00 N ATOM 0 H LYS A 11 1.684 13.142 -17.723 1.00 0.00 H new ATOM 0 HA LYS A 11 4.001 13.605 -15.973 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.443 15.396 -16.486 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.110 14.447 -15.859 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.506 14.850 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.459 16.229 -14.359 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.840 13.647 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.770 15.285 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.139 14.145 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.466 14.216 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.521 16.039 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.237 16.660 -12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.084 16.524 -14.497 1.00 0.00 H new ATOM 190 N THR A 12 3.601 11.581 -14.578 1.00 0.00 N ATOM 191 CA THR A 12 3.377 10.501 -13.653 1.00 0.00 C ATOM 192 C THR A 12 3.029 11.106 -12.301 1.00 0.00 C ATOM 193 O THR A 12 3.863 11.730 -11.643 1.00 0.00 O ATOM 194 CB THR A 12 4.598 9.582 -13.665 1.00 0.00 C ATOM 195 OG1 THR A 12 5.193 9.535 -14.954 1.00 0.00 O ATOM 196 CG2 THR A 12 4.117 8.178 -13.342 1.00 0.00 C ATOM 0 H THR A 12 4.583 11.801 -14.741 1.00 0.00 H new ATOM 0 HA THR A 12 2.535 9.867 -13.929 1.00 0.00 H new ATOM 0 HB THR A 12 5.327 9.955 -12.946 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.973 8.942 -14.933 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.965 7.494 -13.342 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.646 8.172 -12.359 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.394 7.859 -14.093 1.00 0.00 H new ATOM 204 N ILE A 13 1.755 10.973 -11.930 1.00 0.00 N ATOM 205 CA ILE A 13 1.255 11.361 -10.629 1.00 0.00 C ATOM 206 C ILE A 13 1.382 10.117 -9.778 1.00 0.00 C ATOM 207 O ILE A 13 0.729 9.108 -10.032 1.00 0.00 O ATOM 208 CB ILE A 13 -0.172 11.954 -10.703 1.00 0.00 C ATOM 209 CG1 ILE A 13 -0.974 11.837 -9.383 1.00 0.00 C ATOM 210 CG2 ILE A 13 -1.065 11.564 -11.888 1.00 0.00 C ATOM 211 CD1 ILE A 13 -2.205 10.910 -9.357 1.00 0.00 C ATOM 0 H ILE A 13 1.037 10.585 -12.542 1.00 0.00 H new ATOM 0 HA ILE A 13 1.824 12.178 -10.185 1.00 0.00 H new ATOM 0 HB ILE A 13 0.087 12.996 -10.890 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.288 11.501 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.305 12.838 -9.105 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.031 12.061 -11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.588 11.870 -12.819 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.212 10.484 -11.893 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.659 10.935 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.931 11.248 -10.097 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.898 9.890 -9.590 1.00 0.00 H new ATOM 223 N THR A 14 2.236 10.190 -8.777 1.00 0.00 N ATOM 224 CA THR A 14 2.392 9.112 -7.827 1.00 0.00 C ATOM 225 C THR A 14 1.350 9.352 -6.739 1.00 0.00 C ATOM 226 O THR A 14 1.099 10.500 -6.358 1.00 0.00 O ATOM 227 CB THR A 14 3.841 9.102 -7.326 1.00 0.00 C ATOM 228 OG1 THR A 14 4.705 9.060 -8.451 1.00 0.00 O ATOM 229 CG2 THR A 14 4.126 7.885 -6.430 1.00 0.00 C ATOM 0 H THR A 14 2.838 10.995 -8.601 1.00 0.00 H new ATOM 0 HA THR A 14 2.222 8.122 -8.250 1.00 0.00 H new ATOM 0 HB THR A 14 4.008 10.001 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.637 9.055 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.163 7.914 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.465 7.908 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.953 6.969 -6.995 1.00 0.00 H new ATOM 237 N LEU A 15 0.732 8.278 -6.248 1.00 0.00 N ATOM 238 CA LEU A 15 -0.257 8.369 -5.190 1.00 0.00 C ATOM 239 C LEU A 15 -0.101 7.195 -4.270 1.00 0.00 C ATOM 240 O LEU A 15 0.347 6.147 -4.719 1.00 0.00 O ATOM 241 CB LEU A 15 -1.684 8.456 -5.757 1.00 0.00 C ATOM 242 CG LEU A 15 -2.273 7.203 -6.418 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.754 7.073 -6.076 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.152 7.293 -7.915 1.00 0.00 C ATOM 0 H LEU A 15 0.906 7.328 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.091 9.287 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.349 8.749 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.703 9.261 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.720 6.340 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.160 6.180 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.872 6.995 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.289 7.951 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.574 6.396 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.693 8.170 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.101 7.378 -8.191 1.00 0.00 H new ATOM 256 N GLU A 16 -0.515 7.345 -3.020 1.00 0.00 N ATOM 257 CA GLU A 16 -0.398 6.293 -2.032 1.00 0.00 C ATOM 258 C GLU A 16 -1.777 5.689 -1.811 1.00 0.00 C ATOM 259 O GLU A 16 -2.794 6.379 -1.686 1.00 0.00 O ATOM 260 CB GLU A 16 0.331 6.766 -0.770 1.00 0.00 C ATOM 261 CG GLU A 16 1.857 6.686 -0.968 1.00 0.00 C ATOM 262 CD GLU A 16 2.616 7.224 0.253 1.00 0.00 C ATOM 263 OE1 GLU A 16 2.900 8.446 0.308 1.00 0.00 O ATOM 264 OE2 GLU A 16 2.958 6.423 1.159 1.00 0.00 O ATOM 0 H GLU A 16 -0.941 8.202 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 16 0.245 5.490 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.041 7.791 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.036 6.151 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.147 5.651 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.140 7.256 -1.853 1.00 0.00 H new ATOM 271 N VAL A 17 -1.770 4.367 -1.855 1.00 0.00 N ATOM 272 CA VAL A 17 -2.901 3.458 -1.904 1.00 0.00 C ATOM 273 C VAL A 17 -2.555 2.214 -1.071 1.00 0.00 C ATOM 274 O VAL A 17 -1.501 2.141 -0.433 1.00 0.00 O ATOM 275 CB VAL A 17 -3.175 3.088 -3.385 1.00 0.00 C ATOM 276 CG1 VAL A 17 -3.539 4.296 -4.258 1.00 0.00 C ATOM 277 CG2 VAL A 17 -1.970 2.377 -4.021 1.00 0.00 C ATOM 0 H VAL A 17 -0.887 3.856 -1.857 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.800 3.917 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.035 2.419 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.718 3.965 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.440 4.769 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.718 5.013 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.198 2.133 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.100 3.033 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.756 1.461 -3.471 1.00 0.00 H new ATOM 287 N GLU A 18 -3.374 1.180 -1.187 1.00 0.00 N ATOM 288 CA GLU A 18 -3.156 -0.165 -0.668 1.00 0.00 C ATOM 289 C GLU A 18 -3.438 -1.118 -1.832 1.00 0.00 C ATOM 290 O GLU A 18 -4.118 -0.716 -2.776 1.00 0.00 O ATOM 291 CB GLU A 18 -4.124 -0.470 0.492 1.00 0.00 C ATOM 292 CG GLU A 18 -4.109 0.544 1.644 1.00 0.00 C ATOM 293 CD GLU A 18 -2.727 0.749 2.301 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.857 -0.155 2.255 1.00 0.00 O ATOM 295 OE2 GLU A 18 -2.519 1.824 2.912 1.00 0.00 O ATOM 0 H GLU A 18 -4.265 1.261 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.141 -0.273 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.137 -0.526 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.885 -1.455 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.465 1.504 1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.815 0.217 2.408 1.00 0.00 H new ATOM 302 N PRO A 19 -2.989 -2.381 -1.819 1.00 0.00 N ATOM 303 CA PRO A 19 -3.421 -3.339 -2.835 1.00 0.00 C ATOM 304 C PRO A 19 -4.956 -3.510 -2.873 1.00 0.00 C ATOM 305 O PRO A 19 -5.540 -3.819 -3.910 1.00 0.00 O ATOM 306 CB PRO A 19 -2.702 -4.647 -2.497 1.00 0.00 C ATOM 307 CG PRO A 19 -1.586 -4.265 -1.525 1.00 0.00 C ATOM 308 CD PRO A 19 -2.107 -3.002 -0.844 1.00 0.00 C ATOM 0 HA PRO A 19 -3.165 -2.991 -3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.387 -5.365 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.297 -5.115 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.397 -5.059 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.648 -4.079 -2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.642 -3.242 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.289 -2.335 -0.572 1.00 0.00 H new ATOM 316 N SER A 20 -5.632 -3.235 -1.761 1.00 0.00 N ATOM 317 CA SER A 20 -7.062 -3.376 -1.562 1.00 0.00 C ATOM 318 C SER A 20 -7.797 -2.090 -1.912 1.00 0.00 C ATOM 319 O SER A 20 -9.013 -2.009 -1.724 1.00 0.00 O ATOM 320 CB SER A 20 -7.294 -3.818 -0.108 1.00 0.00 C ATOM 321 OG SER A 20 -6.427 -3.117 0.782 1.00 0.00 O ATOM 0 H SER A 20 -5.162 -2.886 -0.926 1.00 0.00 H new ATOM 0 HA SER A 20 -7.469 -4.134 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.332 -3.636 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.124 -4.891 -0.018 1.00 0.00 H new ATOM 0 HG SER A 20 -6.593 -3.413 1.701 1.00 0.00 H new ATOM 327 N ASP A 21 -7.089 -1.076 -2.424 1.00 0.00 N ATOM 328 CA ASP A 21 -7.716 0.155 -2.818 1.00 0.00 C ATOM 329 C ASP A 21 -8.584 -0.141 -4.027 1.00 0.00 C ATOM 330 O ASP A 21 -8.085 -0.685 -5.020 1.00 0.00 O ATOM 331 CB ASP A 21 -6.686 1.231 -3.177 1.00 0.00 C ATOM 332 CG ASP A 21 -6.429 2.233 -2.043 1.00 0.00 C ATOM 333 OD1 ASP A 21 -6.420 1.849 -0.856 1.00 0.00 O ATOM 334 OD2 ASP A 21 -6.274 3.430 -2.375 1.00 0.00 O ATOM 0 H ASP A 21 -6.080 -1.101 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.306 0.539 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.746 0.748 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.029 1.772 -4.059 1.00 0.00 H new ATOM 339 N THR A 22 -9.871 0.207 -3.959 1.00 0.00 N ATOM 340 CA THR A 22 -10.728 0.084 -5.124 1.00 0.00 C ATOM 341 C THR A 22 -10.400 1.172 -6.116 1.00 0.00 C ATOM 342 O THR A 22 -10.008 2.282 -5.738 1.00 0.00 O ATOM 343 CB THR A 22 -12.223 0.132 -4.804 1.00 0.00 C ATOM 344 OG1 THR A 22 -12.465 1.132 -3.826 1.00 0.00 O ATOM 345 CG2 THR A 22 -12.719 -1.219 -4.320 1.00 0.00 C ATOM 0 H THR A 22 -10.330 0.569 -3.123 1.00 0.00 H new ATOM 0 HA THR A 22 -10.528 -0.903 -5.541 1.00 0.00 H new ATOM 0 HB THR A 22 -12.770 0.379 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.423 1.165 -3.622 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.785 -1.158 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.551 -1.967 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.178 -1.504 -3.418 1.00 0.00 H new ATOM 353 N ILE A 23 -10.631 0.859 -7.383 1.00 0.00 N ATOM 354 CA ILE A 23 -10.524 1.810 -8.476 1.00 0.00 C ATOM 355 C ILE A 23 -11.417 3.025 -8.236 1.00 0.00 C ATOM 356 O ILE A 23 -10.967 4.124 -8.531 1.00 0.00 O ATOM 357 CB ILE A 23 -10.833 1.108 -9.806 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.949 -0.136 -10.053 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.723 2.051 -11.018 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.529 -0.137 -9.485 1.00 0.00 C ATOM 0 H ILE A 23 -10.902 -0.077 -7.683 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.502 2.186 -8.527 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.869 0.783 -9.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.471 -1.002 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.877 -0.285 -11.130 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.952 1.500 -11.930 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.429 2.874 -10.904 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.710 2.448 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.036 -1.075 -9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.967 0.696 -9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.571 -0.033 -8.401 1.00 0.00 H new ATOM 372 N GLU A 24 -12.616 2.882 -7.671 1.00 0.00 N ATOM 373 CA GLU A 24 -13.469 4.024 -7.319 1.00 0.00 C ATOM 374 C GLU A 24 -12.688 5.024 -6.462 1.00 0.00 C ATOM 375 O GLU A 24 -12.589 6.209 -6.781 1.00 0.00 O ATOM 376 CB GLU A 24 -14.711 3.494 -6.579 1.00 0.00 C ATOM 377 CG GLU A 24 -15.631 4.609 -6.071 1.00 0.00 C ATOM 378 CD GLU A 24 -16.916 4.029 -5.450 1.00 0.00 C ATOM 379 OE1 GLU A 24 -16.903 3.673 -4.246 1.00 0.00 O ATOM 380 OE2 GLU A 24 -17.954 3.937 -6.153 1.00 0.00 O ATOM 0 H GLU A 24 -13.025 1.976 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.789 4.551 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.274 2.843 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.390 2.883 -5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.104 5.210 -5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.890 5.274 -6.895 1.00 0.00 H new ATOM 387 N ASN A 25 -12.064 4.518 -5.399 1.00 0.00 N ATOM 388 CA ASN A 25 -11.308 5.336 -4.459 1.00 0.00 C ATOM 389 C ASN A 25 -10.013 5.870 -5.090 1.00 0.00 C ATOM 390 O ASN A 25 -9.647 7.017 -4.863 1.00 0.00 O ATOM 391 CB ASN A 25 -11.097 4.531 -3.161 1.00 0.00 C ATOM 392 CG ASN A 25 -9.643 4.473 -2.731 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.164 5.298 -1.962 1.00 0.00 O ATOM 394 ND2 ASN A 25 -8.916 3.504 -3.253 1.00 0.00 N ATOM 0 H ASN A 25 -12.070 3.525 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.870 6.233 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.689 4.978 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.469 3.516 -3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.926 3.426 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.344 2.832 -3.890 1.00 0.00 H new ATOM 401 N VAL A 26 -9.348 5.086 -5.941 1.00 0.00 N ATOM 402 CA VAL A 26 -8.158 5.520 -6.674 1.00 0.00 C ATOM 403 C VAL A 26 -8.537 6.677 -7.588 1.00 0.00 C ATOM 404 O VAL A 26 -7.925 7.733 -7.512 1.00 0.00 O ATOM 405 CB VAL A 26 -7.601 4.316 -7.447 1.00 0.00 C ATOM 406 CG1 VAL A 26 -6.573 4.695 -8.514 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.977 3.286 -6.500 1.00 0.00 C ATOM 0 H VAL A 26 -9.623 4.125 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.378 5.878 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.462 3.884 -7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.224 3.794 -9.019 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.033 5.363 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.728 5.198 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.592 2.446 -7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.161 3.749 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.734 2.929 -5.801 1.00 0.00 H new ATOM 417 N LYS A 27 -9.569 6.535 -8.421 1.00 0.00 N ATOM 418 CA LYS A 27 -10.044 7.622 -9.267 1.00 0.00 C ATOM 419 C LYS A 27 -10.381 8.874 -8.467 1.00 0.00 C ATOM 420 O LYS A 27 -10.104 9.971 -8.950 1.00 0.00 O ATOM 421 CB LYS A 27 -11.295 7.175 -10.030 1.00 0.00 C ATOM 422 CG LYS A 27 -11.124 6.103 -11.109 1.00 0.00 C ATOM 423 CD LYS A 27 -12.540 5.738 -11.585 1.00 0.00 C ATOM 424 CE LYS A 27 -12.534 5.105 -12.978 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.885 5.191 -13.611 1.00 0.00 N ATOM 0 H LYS A 27 -10.094 5.667 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.236 7.867 -9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.018 6.806 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.735 8.055 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.520 6.477 -11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.611 5.228 -10.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.994 5.046 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.160 6.634 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.801 5.609 -13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.228 4.061 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.786 5.164 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.467 4.388 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.344 6.081 -13.331 1.00 0.00 H new ATOM 439 N ALA A 28 -10.926 8.743 -7.257 1.00 0.00 N ATOM 440 CA ALA A 28 -11.173 9.895 -6.392 1.00 0.00 C ATOM 441 C ALA A 28 -9.855 10.570 -5.996 1.00 0.00 C ATOM 442 O ALA A 28 -9.775 11.797 -6.015 1.00 0.00 O ATOM 443 CB ALA A 28 -11.985 9.476 -5.162 1.00 0.00 C ATOM 0 H ALA A 28 -11.205 7.848 -6.854 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.761 10.627 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.160 10.345 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.941 9.061 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.432 8.723 -4.600 1.00 0.00 H new ATOM 449 N LYS A 29 -8.787 9.803 -5.729 1.00 0.00 N ATOM 450 CA LYS A 29 -7.458 10.385 -5.499 1.00 0.00 C ATOM 451 C LYS A 29 -6.943 11.038 -6.778 1.00 0.00 C ATOM 452 O LYS A 29 -6.328 12.088 -6.730 1.00 0.00 O ATOM 453 CB LYS A 29 -6.473 9.322 -4.996 1.00 0.00 C ATOM 454 CG LYS A 29 -6.866 8.794 -3.608 1.00 0.00 C ATOM 455 CD LYS A 29 -5.950 7.644 -3.180 1.00 0.00 C ATOM 456 CE LYS A 29 -6.341 7.171 -1.770 1.00 0.00 C ATOM 457 NZ LYS A 29 -5.303 7.487 -0.747 1.00 0.00 N ATOM 0 H LYS A 29 -8.818 8.785 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.545 11.150 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.439 8.494 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.470 9.747 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.808 9.601 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.901 8.453 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.031 6.818 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.910 7.971 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.282 7.639 -1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.512 6.095 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.586 7.087 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.393 7.076 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.205 8.519 -0.659 1.00 0.00 H new ATOM 471 N ILE A 30 -7.228 10.473 -7.951 1.00 0.00 N ATOM 472 CA ILE A 30 -6.761 11.058 -9.212 1.00 0.00 C ATOM 473 C ILE A 30 -7.454 12.393 -9.401 1.00 0.00 C ATOM 474 O ILE A 30 -6.816 13.342 -9.792 1.00 0.00 O ATOM 475 CB ILE A 30 -7.018 10.137 -10.425 1.00 0.00 C ATOM 476 CG1 ILE A 30 -6.444 8.710 -10.326 1.00 0.00 C ATOM 477 CG2 ILE A 30 -6.484 10.807 -11.708 1.00 0.00 C ATOM 478 CD1 ILE A 30 -5.306 8.519 -9.322 1.00 0.00 C ATOM 0 H ILE A 30 -7.775 9.619 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.680 11.189 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.100 10.009 -10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.254 8.030 -10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.087 8.413 -11.312 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.667 10.155 -12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.995 11.758 -11.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.413 10.982 -11.608 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.980 7.479 -9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.471 9.165 -9.592 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.656 8.776 -8.322 1.00 0.00 H new ATOM 490 N GLN A 31 -8.738 12.492 -9.107 1.00 0.00 N ATOM 491 CA GLN A 31 -9.493 13.727 -9.160 1.00 0.00 C ATOM 492 C GLN A 31 -8.896 14.750 -8.206 1.00 0.00 C ATOM 493 O GLN A 31 -8.849 15.925 -8.549 1.00 0.00 O ATOM 494 CB GLN A 31 -10.963 13.465 -8.829 1.00 0.00 C ATOM 495 CG GLN A 31 -11.854 14.690 -9.119 1.00 0.00 C ATOM 496 CD GLN A 31 -12.499 15.231 -7.851 1.00 0.00 C ATOM 497 OE1 GLN A 31 -11.861 15.865 -7.015 1.00 0.00 O ATOM 498 NE2 GLN A 31 -13.782 14.965 -7.684 1.00 0.00 N ATOM 0 H GLN A 31 -9.299 11.691 -8.817 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.439 14.130 -10.171 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.318 12.614 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.054 13.193 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.256 15.473 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.630 14.414 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.290 14.436 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.265 15.288 -6.846 1.00 0.00 H new ATOM 507 N ASP A 32 -8.383 14.314 -7.058 1.00 0.00 N ATOM 508 CA ASP A 32 -7.688 15.224 -6.161 1.00 0.00 C ATOM 509 C ASP A 32 -6.416 15.755 -6.837 1.00 0.00 C ATOM 510 O ASP A 32 -6.068 16.928 -6.644 1.00 0.00 O ATOM 511 CB ASP A 32 -7.341 14.562 -4.823 1.00 0.00 C ATOM 512 CG ASP A 32 -6.345 15.420 -4.016 1.00 0.00 C ATOM 513 OD1 ASP A 32 -6.793 16.356 -3.311 1.00 0.00 O ATOM 514 OD2 ASP A 32 -5.116 15.156 -4.077 1.00 0.00 O ATOM 0 H ASP A 32 -8.436 13.349 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.361 16.054 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.251 14.413 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.913 13.576 -5.003 1.00 0.00 H new ATOM 519 N LYS A 33 -5.730 14.940 -7.659 1.00 0.00 N ATOM 520 CA LYS A 33 -4.410 15.308 -8.175 1.00 0.00 C ATOM 521 C LYS A 33 -4.491 16.005 -9.540 1.00 0.00 C ATOM 522 O LYS A 33 -3.674 16.877 -9.847 1.00 0.00 O ATOM 523 CB LYS A 33 -3.544 14.047 -8.222 1.00 0.00 C ATOM 524 CG LYS A 33 -3.534 13.213 -6.908 1.00 0.00 C ATOM 525 CD LYS A 33 -2.185 13.121 -6.176 1.00 0.00 C ATOM 526 CE LYS A 33 -1.613 14.488 -5.776 1.00 0.00 C ATOM 527 NZ LYS A 33 -2.306 15.081 -4.591 1.00 0.00 N ATOM 0 H LYS A 33 -6.069 14.031 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.953 16.039 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.895 13.412 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.520 14.335 -8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.267 13.641 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.868 12.202 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.307 12.511 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.467 12.608 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.551 14.382 -5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.696 15.173 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.093 16.098 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.333 14.947 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.975 14.611 -3.724 1.00 0.00 H new ATOM 541 N GLU A 34 -5.510 15.655 -10.322 1.00 0.00 N ATOM 542 CA GLU A 34 -5.675 15.995 -11.727 1.00 0.00 C ATOM 543 C GLU A 34 -6.889 16.886 -11.975 1.00 0.00 C ATOM 544 O GLU A 34 -6.852 17.755 -12.847 1.00 0.00 O ATOM 545 CB GLU A 34 -5.833 14.676 -12.511 1.00 0.00 C ATOM 546 CG GLU A 34 -4.592 13.777 -12.426 1.00 0.00 C ATOM 547 CD GLU A 34 -3.286 14.560 -12.627 1.00 0.00 C ATOM 548 OE1 GLU A 34 -3.083 15.145 -13.716 1.00 0.00 O ATOM 549 OE2 GLU A 34 -2.457 14.608 -11.692 1.00 0.00 O ATOM 0 H GLU A 34 -6.285 15.094 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.801 16.558 -12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.696 14.132 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.039 14.904 -13.557 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.570 13.283 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.662 12.993 -13.180 1.00 0.00 H new ATOM 556 N GLY A 35 -7.958 16.684 -11.207 1.00 0.00 N ATOM 557 CA GLY A 35 -9.165 17.494 -11.282 1.00 0.00 C ATOM 558 C GLY A 35 -10.155 16.920 -12.288 1.00 0.00 C ATOM 559 O GLY A 35 -10.932 17.674 -12.868 1.00 0.00 O ATOM 0 H GLY A 35 -8.008 15.943 -10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.632 17.547 -10.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.904 18.514 -11.566 1.00 0.00 H new ATOM 563 N ILE A 36 -10.128 15.598 -12.510 1.00 0.00 N ATOM 564 CA ILE A 36 -10.996 14.936 -13.469 1.00 0.00 C ATOM 565 C ILE A 36 -11.948 14.120 -12.619 1.00 0.00 C ATOM 566 O ILE A 36 -11.455 13.335 -11.812 1.00 0.00 O ATOM 567 CB ILE A 36 -10.188 14.005 -14.379 1.00 0.00 C ATOM 568 CG1 ILE A 36 -9.078 14.746 -15.140 1.00 0.00 C ATOM 569 CG2 ILE A 36 -11.128 13.316 -15.388 1.00 0.00 C ATOM 570 CD1 ILE A 36 -8.053 13.726 -15.603 1.00 0.00 C ATOM 0 H ILE A 36 -9.497 14.963 -12.022 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.508 15.648 -14.116 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.710 13.264 -13.738 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.495 15.280 -15.994 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.609 15.490 -14.497 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.548 12.655 -16.033 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.876 12.734 -14.850 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.626 14.071 -15.996 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.255 14.233 -16.146 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.634 13.213 -14.738 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.533 12.999 -16.258 1.00 0.00 H new ATOM 582 N PRO A 37 -13.268 14.220 -12.792 1.00 0.00 N ATOM 583 CA PRO A 37 -14.204 13.413 -12.027 1.00 0.00 C ATOM 584 C PRO A 37 -13.946 11.920 -12.238 1.00 0.00 C ATOM 585 O PRO A 37 -13.570 11.519 -13.340 1.00 0.00 O ATOM 586 CB PRO A 37 -15.605 13.858 -12.445 1.00 0.00 C ATOM 587 CG PRO A 37 -15.402 15.045 -13.394 1.00 0.00 C ATOM 588 CD PRO A 37 -13.939 14.986 -13.821 1.00 0.00 C ATOM 0 HA PRO A 37 -14.085 13.561 -10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.140 13.048 -12.941 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.198 14.148 -11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.065 14.975 -14.256 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -15.627 15.988 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.833 14.511 -14.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.514 15.986 -13.906 1.00 0.00 H new ATOM 596 N PRO A 38 -14.176 11.063 -11.229 1.00 0.00 N ATOM 597 CA PRO A 38 -13.951 9.626 -11.373 1.00 0.00 C ATOM 598 C PRO A 38 -14.827 9.030 -12.452 1.00 0.00 C ATOM 599 O PRO A 38 -14.389 8.146 -13.188 1.00 0.00 O ATOM 600 CB PRO A 38 -14.294 9.027 -10.013 1.00 0.00 C ATOM 601 CG PRO A 38 -15.171 10.065 -9.314 1.00 0.00 C ATOM 602 CD PRO A 38 -14.673 11.383 -9.895 1.00 0.00 C ATOM 0 HA PRO A 38 -12.924 9.416 -11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.821 8.080 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.392 8.824 -9.436 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -16.229 9.906 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.052 10.031 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -15.476 12.118 -9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.885 11.811 -9.276 1.00 0.00 H new ATOM 610 N ASP A 39 -16.033 9.571 -12.597 1.00 0.00 N ATOM 611 CA ASP A 39 -16.983 9.106 -13.597 1.00 0.00 C ATOM 612 C ASP A 39 -16.496 9.379 -15.024 1.00 0.00 C ATOM 613 O ASP A 39 -16.906 8.694 -15.960 1.00 0.00 O ATOM 614 CB ASP A 39 -18.340 9.766 -13.329 1.00 0.00 C ATOM 615 CG ASP A 39 -19.339 9.581 -14.481 1.00 0.00 C ATOM 616 OD1 ASP A 39 -19.639 8.424 -14.857 1.00 0.00 O ATOM 617 OD2 ASP A 39 -19.857 10.599 -14.996 1.00 0.00 O ATOM 0 H ASP A 39 -16.377 10.342 -12.025 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.082 8.024 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.766 9.349 -12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.191 10.831 -13.153 1.00 0.00 H new ATOM 622 N GLN A 40 -15.563 10.321 -15.196 1.00 0.00 N ATOM 623 CA GLN A 40 -15.008 10.635 -16.512 1.00 0.00 C ATOM 624 C GLN A 40 -13.669 9.930 -16.726 1.00 0.00 C ATOM 625 O GLN A 40 -13.172 9.921 -17.850 1.00 0.00 O ATOM 626 CB GLN A 40 -14.917 12.166 -16.678 1.00 0.00 C ATOM 627 CG GLN A 40 -14.609 12.626 -18.122 1.00 0.00 C ATOM 628 CD GLN A 40 -15.674 12.230 -19.139 1.00 0.00 C ATOM 629 OE1 GLN A 40 -15.513 11.293 -19.920 1.00 0.00 O ATOM 630 NE2 GLN A 40 -16.789 12.937 -19.145 1.00 0.00 N ATOM 0 H GLN A 40 -15.176 10.880 -14.435 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.671 10.257 -17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.859 12.612 -16.359 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -14.142 12.548 -16.013 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.498 13.710 -18.131 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.652 12.205 -18.430 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.906 13.711 -18.491 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.534 12.710 -19.804 1.00 0.00 H new ATOM 639 N GLN A 41 -13.065 9.326 -15.702 1.00 0.00 N ATOM 640 CA GLN A 41 -11.823 8.602 -15.898 1.00 0.00 C ATOM 641 C GLN A 41 -12.133 7.218 -16.439 1.00 0.00 C ATOM 642 O GLN A 41 -13.080 6.558 -16.025 1.00 0.00 O ATOM 643 CB GLN A 41 -11.069 8.485 -14.560 1.00 0.00 C ATOM 644 CG GLN A 41 -10.451 9.808 -14.077 1.00 0.00 C ATOM 645 CD GLN A 41 -10.059 9.727 -12.609 1.00 0.00 C ATOM 646 OE1 GLN A 41 -9.424 8.766 -12.203 1.00 0.00 O ATOM 647 NE2 GLN A 41 -10.468 10.667 -11.771 1.00 0.00 N ATOM 0 H GLN A 41 -13.415 9.327 -14.744 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.196 9.139 -16.609 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.756 8.116 -13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.278 7.742 -14.663 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.573 10.044 -14.678 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.164 10.620 -14.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.998 11.466 -12.120 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.253 10.592 -10.777 1.00 0.00 H new ATOM 656 N ARG A 42 -11.226 6.749 -17.282 1.00 0.00 N ATOM 657 CA ARG A 42 -11.156 5.388 -17.789 1.00 0.00 C ATOM 658 C ARG A 42 -9.750 4.968 -17.418 1.00 0.00 C ATOM 659 O ARG A 42 -8.799 5.428 -18.033 1.00 0.00 O ATOM 660 CB ARG A 42 -11.442 5.463 -19.290 1.00 0.00 C ATOM 661 CG ARG A 42 -11.403 4.128 -20.040 1.00 0.00 C ATOM 662 CD ARG A 42 -11.892 4.341 -21.481 1.00 0.00 C ATOM 663 NE ARG A 42 -11.890 3.098 -22.290 1.00 0.00 N ATOM 664 CZ ARG A 42 -12.948 2.317 -22.581 1.00 0.00 C ATOM 665 NH1 ARG A 42 -14.108 2.467 -21.951 1.00 0.00 N ATOM 666 NH2 ARG A 42 -12.833 1.366 -23.499 1.00 0.00 N ATOM 0 H ARG A 42 -10.480 7.339 -17.650 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.867 4.663 -17.392 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.426 5.910 -19.432 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.717 6.137 -19.746 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.389 3.729 -20.043 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.032 3.395 -19.535 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.902 4.750 -21.458 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.259 5.083 -21.966 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.989 2.802 -22.667 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.209 3.184 -21.232 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.897 1.865 -22.186 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.945 1.228 -23.982 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.632 0.773 -23.722 1.00 0.00 H new ATOM 680 N LEU A 43 -9.600 4.249 -16.319 1.00 0.00 N ATOM 681 CA LEU A 43 -8.276 3.936 -15.791 1.00 0.00 C ATOM 682 C LEU A 43 -7.825 2.720 -16.564 1.00 0.00 C ATOM 683 O LEU A 43 -8.592 1.772 -16.697 1.00 0.00 O ATOM 684 CB LEU A 43 -8.366 3.663 -14.273 1.00 0.00 C ATOM 685 CG LEU A 43 -7.262 4.333 -13.437 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.285 5.873 -13.550 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.515 3.971 -11.970 1.00 0.00 C ATOM 0 H LEU A 43 -10.374 3.870 -15.774 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.565 4.754 -15.907 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.336 4.006 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.327 2.586 -14.107 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.297 3.983 -13.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.486 6.295 -12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.140 6.164 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.246 6.249 -13.199 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.749 4.430 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.497 4.337 -11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.479 2.888 -11.851 1.00 0.00 H new ATOM 699 N ILE A 44 -6.606 2.741 -17.075 1.00 0.00 N ATOM 700 CA ILE A 44 -6.039 1.634 -17.841 1.00 0.00 C ATOM 701 C ILE A 44 -4.835 1.149 -17.068 1.00 0.00 C ATOM 702 O ILE A 44 -4.170 1.911 -16.367 1.00 0.00 O ATOM 703 CB ILE A 44 -5.734 2.072 -19.297 1.00 0.00 C ATOM 704 CG1 ILE A 44 -7.076 2.492 -19.946 1.00 0.00 C ATOM 705 CG2 ILE A 44 -5.010 0.985 -20.126 1.00 0.00 C ATOM 706 CD1 ILE A 44 -7.068 2.684 -21.465 1.00 0.00 C ATOM 0 H ILE A 44 -5.972 3.533 -16.971 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.737 0.805 -17.953 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.036 2.909 -19.278 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.824 1.738 -19.701 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.401 3.425 -19.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.827 1.358 -21.134 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.060 0.739 -19.652 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.632 0.091 -20.177 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.063 2.977 -21.800 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.352 3.463 -21.730 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.783 1.750 -21.948 1.00 0.00 H new ATOM 718 N PHE A 45 -4.541 -0.128 -17.234 1.00 0.00 N ATOM 719 CA PHE A 45 -3.349 -0.746 -16.713 1.00 0.00 C ATOM 720 C PHE A 45 -2.936 -1.764 -17.756 1.00 0.00 C ATOM 721 O PHE A 45 -3.744 -2.610 -18.098 1.00 0.00 O ATOM 722 CB PHE A 45 -3.715 -1.433 -15.398 1.00 0.00 C ATOM 723 CG PHE A 45 -2.596 -2.263 -14.820 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.360 -1.653 -14.561 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.775 -3.636 -14.574 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.302 -2.407 -14.028 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.725 -4.390 -14.024 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.496 -3.772 -13.734 1.00 0.00 C ATOM 0 H PHE A 45 -5.142 -0.773 -17.747 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.540 -0.041 -16.520 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.008 -0.676 -14.671 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.583 -2.071 -15.560 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.222 -0.603 -14.772 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.717 -4.110 -14.807 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.656 -1.943 -13.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.862 -5.443 -13.824 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.302 -4.345 -13.285 1.00 0.00 H new ATOM 738 N ALA A 46 -1.723 -1.684 -18.297 1.00 0.00 N ATOM 739 CA ALA A 46 -1.160 -2.712 -19.189 1.00 0.00 C ATOM 740 C ALA A 46 -2.028 -3.047 -20.419 1.00 0.00 C ATOM 741 O ALA A 46 -2.009 -4.169 -20.923 1.00 0.00 O ATOM 742 CB ALA A 46 -0.880 -3.961 -18.346 1.00 0.00 C ATOM 0 H ALA A 46 -1.092 -0.900 -18.131 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.243 -2.310 -19.620 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.461 -4.742 -18.981 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.170 -3.715 -17.557 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.810 -4.315 -17.900 1.00 0.00 H new ATOM 748 N GLY A 47 -2.822 -2.078 -20.886 1.00 0.00 N ATOM 749 CA GLY A 47 -3.752 -2.242 -22.010 1.00 0.00 C ATOM 750 C GLY A 47 -5.121 -2.799 -21.616 1.00 0.00 C ATOM 751 O GLY A 47 -5.909 -3.160 -22.488 1.00 0.00 O ATOM 0 H GLY A 47 -2.837 -1.140 -20.486 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.891 -1.276 -22.495 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.300 -2.907 -22.747 1.00 0.00 H new ATOM 755 N LYS A 48 -5.413 -2.853 -20.316 1.00 0.00 N ATOM 756 CA LYS A 48 -6.634 -3.390 -19.728 1.00 0.00 C ATOM 757 C LYS A 48 -7.278 -2.265 -18.930 1.00 0.00 C ATOM 758 O LYS A 48 -6.664 -1.730 -18.014 1.00 0.00 O ATOM 759 CB LYS A 48 -6.231 -4.615 -18.884 1.00 0.00 C ATOM 760 CG LYS A 48 -7.386 -5.232 -18.087 1.00 0.00 C ATOM 761 CD LYS A 48 -6.982 -6.491 -17.294 1.00 0.00 C ATOM 762 CE LYS A 48 -6.512 -7.690 -18.142 1.00 0.00 C ATOM 763 NZ LYS A 48 -7.604 -8.307 -18.949 1.00 0.00 N ATOM 0 H LYS A 48 -4.766 -2.503 -19.609 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.370 -3.730 -20.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.812 -5.375 -19.543 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.441 -4.322 -18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.778 -4.487 -17.395 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.194 -5.488 -18.772 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.183 -6.222 -16.603 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.833 -6.807 -16.690 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.716 -7.363 -18.811 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.085 -8.446 -17.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.223 -9.106 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.354 -8.648 -18.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.997 -7.598 -19.601 1.00 0.00 H new ATOM 777 N GLN A 49 -8.485 -1.854 -19.296 1.00 0.00 N ATOM 778 CA GLN A 49 -9.278 -0.914 -18.505 1.00 0.00 C ATOM 779 C GLN A 49 -9.593 -1.578 -17.163 1.00 0.00 C ATOM 780 O GLN A 49 -9.834 -2.786 -17.110 1.00 0.00 O ATOM 781 CB GLN A 49 -10.614 -0.567 -19.197 1.00 0.00 C ATOM 782 CG GLN A 49 -10.522 0.323 -20.445 1.00 0.00 C ATOM 783 CD GLN A 49 -9.873 -0.372 -21.643 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.675 -0.258 -21.854 1.00 0.00 O ATOM 785 NE2 GLN A 49 -10.629 -1.111 -22.438 1.00 0.00 N ATOM 0 H GLN A 49 -8.946 -2.162 -20.152 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.707 0.006 -18.384 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.107 -1.498 -19.476 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.257 -0.072 -18.470 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.524 0.650 -20.723 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.951 1.219 -20.201 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.628 -1.200 -22.254 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.213 -1.592 -23.235 1.00 0.00 H new ATOM 794 N LEU A 50 -9.652 -0.778 -16.101 1.00 0.00 N ATOM 795 CA LEU A 50 -10.142 -1.208 -14.797 1.00 0.00 C ATOM 796 C LEU A 50 -11.557 -0.653 -14.619 1.00 0.00 C ATOM 797 O LEU A 50 -11.938 0.297 -15.308 1.00 0.00 O ATOM 798 CB LEU A 50 -9.212 -0.734 -13.665 1.00 0.00 C ATOM 799 CG LEU A 50 -7.694 -0.756 -13.930 1.00 0.00 C ATOM 800 CD1 LEU A 50 -6.930 -0.393 -12.652 1.00 0.00 C ATOM 801 CD2 LEU A 50 -7.198 -2.109 -14.445 1.00 0.00 C ATOM 0 H LEU A 50 -9.357 0.198 -16.124 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.159 -2.297 -14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.493 0.287 -13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.409 -1.351 -12.788 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.505 -0.018 -14.710 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.858 -0.412 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.221 0.605 -12.325 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.166 -1.114 -11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.122 -2.062 -14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.417 -2.881 -13.708 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.701 -2.349 -15.382 1.00 0.00 H new ATOM 813 N GLU A 51 -12.312 -1.192 -13.661 1.00 0.00 N ATOM 814 CA GLU A 51 -13.663 -0.732 -13.344 1.00 0.00 C ATOM 815 C GLU A 51 -13.720 -0.378 -11.861 1.00 0.00 C ATOM 816 O GLU A 51 -12.964 -0.924 -11.057 1.00 0.00 O ATOM 817 CB GLU A 51 -14.721 -1.759 -13.792 1.00 0.00 C ATOM 818 CG GLU A 51 -14.782 -3.016 -12.913 1.00 0.00 C ATOM 819 CD GLU A 51 -15.792 -4.071 -13.412 1.00 0.00 C ATOM 820 OE1 GLU A 51 -16.918 -3.708 -13.835 1.00 0.00 O ATOM 821 OE2 GLU A 51 -15.476 -5.284 -13.331 1.00 0.00 O ATOM 0 H GLU A 51 -11.999 -1.968 -13.078 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.904 0.171 -13.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.700 -1.280 -13.792 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.512 -2.056 -14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.791 -3.467 -12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.046 -2.725 -11.896 1.00 0.00 H new ATOM 828 N ASP A 52 -14.627 0.531 -11.506 1.00 0.00 N ATOM 829 CA ASP A 52 -14.721 1.189 -10.200 1.00 0.00 C ATOM 830 C ASP A 52 -14.804 0.188 -9.052 1.00 0.00 C ATOM 831 O ASP A 52 -14.216 0.411 -7.992 1.00 0.00 O ATOM 832 CB ASP A 52 -15.947 2.119 -10.179 1.00 0.00 C ATOM 833 CG ASP A 52 -15.636 3.481 -10.811 1.00 0.00 C ATOM 834 OD1 ASP A 52 -15.411 3.532 -12.044 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.590 4.499 -10.084 1.00 0.00 O ATOM 0 H ASP A 52 -15.352 0.845 -12.151 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.810 1.769 -10.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.770 1.648 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.278 2.262 -9.150 1.00 0.00 H new ATOM 840 N GLY A 53 -15.499 -0.924 -9.285 1.00 0.00 N ATOM 841 CA GLY A 53 -15.803 -1.927 -8.277 1.00 0.00 C ATOM 842 C GLY A 53 -14.665 -2.902 -7.987 1.00 0.00 C ATOM 843 O GLY A 53 -14.860 -3.821 -7.188 1.00 0.00 O ATOM 0 H GLY A 53 -15.874 -1.154 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.075 -1.421 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.676 -2.494 -8.599 1.00 0.00 H new ATOM 847 N ARG A 54 -13.495 -2.749 -8.618 1.00 0.00 N ATOM 848 CA ARG A 54 -12.374 -3.681 -8.489 1.00 0.00 C ATOM 849 C ARG A 54 -11.233 -3.008 -7.763 1.00 0.00 C ATOM 850 O ARG A 54 -11.319 -1.821 -7.473 1.00 0.00 O ATOM 851 CB ARG A 54 -11.986 -4.191 -9.878 1.00 0.00 C ATOM 852 CG ARG A 54 -13.078 -5.130 -10.431 1.00 0.00 C ATOM 853 CD ARG A 54 -12.596 -6.038 -11.572 1.00 0.00 C ATOM 854 NE ARG A 54 -12.809 -7.461 -11.288 1.00 0.00 N ATOM 855 CZ ARG A 54 -13.919 -8.188 -11.444 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.011 -7.671 -12.001 1.00 0.00 N ATOM 857 NH2 ARG A 54 -13.922 -9.451 -11.026 1.00 0.00 N ATOM 0 H ARG A 54 -13.300 -1.964 -9.240 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.655 -4.548 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.845 -3.349 -10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.035 -4.721 -9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.455 -5.752 -9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.915 -4.529 -10.787 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.121 -5.772 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.535 -5.861 -11.749 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.000 -7.964 -10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.011 -6.702 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.848 -8.244 -12.110 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.087 -9.848 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.760 -10.023 -11.136 1.00 0.00 H new ATOM 871 N THR A 55 -10.165 -3.729 -7.458 1.00 0.00 N ATOM 872 CA THR A 55 -9.072 -3.245 -6.633 1.00 0.00 C ATOM 873 C THR A 55 -7.769 -3.479 -7.356 1.00 0.00 C ATOM 874 O THR A 55 -7.698 -4.246 -8.315 1.00 0.00 O ATOM 875 CB THR A 55 -9.055 -3.977 -5.283 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.078 -5.373 -5.510 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.222 -3.600 -4.385 1.00 0.00 C ATOM 0 H THR A 55 -10.032 -4.686 -7.784 1.00 0.00 H new ATOM 0 HA THR A 55 -9.207 -2.179 -6.447 1.00 0.00 H new ATOM 0 HB THR A 55 -8.143 -3.676 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.066 -5.844 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.152 -4.151 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.193 -2.530 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.159 -3.848 -4.883 1.00 0.00 H new ATOM 885 N LEU A 56 -6.714 -2.839 -6.864 1.00 0.00 N ATOM 886 CA LEU A 56 -5.386 -2.986 -7.448 1.00 0.00 C ATOM 887 C LEU A 56 -4.972 -4.464 -7.452 1.00 0.00 C ATOM 888 O LEU A 56 -4.599 -4.999 -8.493 1.00 0.00 O ATOM 889 CB LEU A 56 -4.408 -2.049 -6.708 1.00 0.00 C ATOM 890 CG LEU A 56 -4.861 -0.575 -6.723 1.00 0.00 C ATOM 891 CD1 LEU A 56 -3.767 0.324 -6.167 1.00 0.00 C ATOM 892 CD2 LEU A 56 -5.211 -0.084 -8.138 1.00 0.00 C ATOM 0 H LEU A 56 -6.753 -2.212 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.377 -2.682 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.306 -2.382 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.422 -2.125 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.756 -0.523 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.104 1.361 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.543 0.033 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.869 0.224 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.524 0.959 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.335 -0.173 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.022 -0.689 -8.543 1.00 0.00 H new ATOM 904 N SER A 57 -5.181 -5.151 -6.338 1.00 0.00 N ATOM 905 CA SER A 57 -4.965 -6.584 -6.184 1.00 0.00 C ATOM 906 C SER A 57 -5.792 -7.412 -7.158 1.00 0.00 C ATOM 907 O SER A 57 -5.287 -8.431 -7.630 1.00 0.00 O ATOM 908 CB SER A 57 -5.325 -7.019 -4.764 1.00 0.00 C ATOM 909 OG SER A 57 -4.223 -6.844 -3.898 1.00 0.00 O ATOM 0 H SER A 57 -5.519 -4.709 -5.483 1.00 0.00 H new ATOM 0 HA SER A 57 -3.910 -6.760 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.174 -6.438 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.632 -8.065 -4.765 1.00 0.00 H new ATOM 0 HG SER A 57 -4.471 -7.125 -2.993 1.00 0.00 H new ATOM 915 N ASP A 58 -7.018 -6.997 -7.504 1.00 0.00 N ATOM 916 CA ASP A 58 -7.841 -7.755 -8.445 1.00 0.00 C ATOM 917 C ASP A 58 -7.141 -7.844 -9.806 1.00 0.00 C ATOM 918 O ASP A 58 -7.212 -8.866 -10.495 1.00 0.00 O ATOM 919 CB ASP A 58 -9.212 -7.101 -8.585 1.00 0.00 C ATOM 920 CG ASP A 58 -10.202 -8.095 -9.214 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.270 -8.206 -10.459 1.00 0.00 O ATOM 922 OD2 ASP A 58 -10.945 -8.769 -8.459 1.00 0.00 O ATOM 0 H ASP A 58 -7.456 -6.147 -7.148 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.978 -8.767 -8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.574 -6.782 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.137 -6.207 -9.204 1.00 0.00 H new ATOM 927 N TYR A 59 -6.366 -6.803 -10.124 1.00 0.00 N ATOM 928 CA TYR A 59 -5.564 -6.682 -11.334 1.00 0.00 C ATOM 929 C TYR A 59 -4.086 -7.040 -11.094 1.00 0.00 C ATOM 930 O TYR A 59 -3.268 -6.937 -12.008 1.00 0.00 O ATOM 931 CB TYR A 59 -5.741 -5.258 -11.864 1.00 0.00 C ATOM 932 CG TYR A 59 -7.179 -4.909 -12.198 1.00 0.00 C ATOM 933 CD1 TYR A 59 -7.809 -5.538 -13.289 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.894 -3.983 -11.412 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.141 -5.225 -13.615 1.00 0.00 C ATOM 936 CE2 TYR A 59 -9.233 -3.695 -11.712 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.851 -4.289 -12.832 1.00 0.00 C ATOM 938 OH TYR A 59 -11.121 -3.921 -13.173 1.00 0.00 O ATOM 0 H TYR A 59 -6.280 -5.989 -9.515 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.906 -7.399 -12.080 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.368 -4.554 -11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.129 -5.133 -12.757 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.267 -6.264 -13.878 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.410 -3.495 -10.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.618 -5.698 -14.460 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.792 -3.017 -11.084 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.481 -4.555 -13.828 1.00 0.00 H new ATOM 948 N ASN A 60 -3.744 -7.483 -9.876 1.00 0.00 N ATOM 949 CA ASN A 60 -2.397 -7.825 -9.398 1.00 0.00 C ATOM 950 C ASN A 60 -1.412 -6.649 -9.467 1.00 0.00 C ATOM 951 O ASN A 60 -0.189 -6.831 -9.449 1.00 0.00 O ATOM 952 CB ASN A 60 -1.898 -9.152 -10.013 1.00 0.00 C ATOM 953 CG ASN A 60 -2.092 -10.329 -9.054 1.00 0.00 C ATOM 954 OD1 ASN A 60 -1.154 -11.066 -8.760 1.00 0.00 O ATOM 955 ND2 ASN A 60 -3.299 -10.528 -8.539 1.00 0.00 N ATOM 0 H ASN A 60 -4.448 -7.621 -9.151 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.464 -8.020 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.434 -9.347 -10.942 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.842 -9.061 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.456 -11.300 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.069 -9.909 -8.791 1.00 0.00 H new ATOM 962 N ILE A 61 -1.948 -5.430 -9.508 1.00 0.00 N ATOM 963 CA ILE A 61 -1.208 -4.190 -9.352 1.00 0.00 C ATOM 964 C ILE A 61 -0.758 -4.177 -7.892 1.00 0.00 C ATOM 965 O ILE A 61 -1.569 -4.389 -6.985 1.00 0.00 O ATOM 966 CB ILE A 61 -2.138 -2.994 -9.652 1.00 0.00 C ATOM 967 CG1 ILE A 61 -2.662 -3.004 -11.097 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.450 -1.646 -9.362 1.00 0.00 C ATOM 969 CD1 ILE A 61 -3.972 -2.226 -11.209 1.00 0.00 C ATOM 0 H ILE A 61 -2.946 -5.279 -9.656 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.359 -4.116 -10.032 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.990 -3.107 -8.981 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.917 -2.566 -11.761 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.816 -4.032 -11.425 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.138 -0.831 -9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.165 -1.602 -8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.560 -1.551 -9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.321 -2.248 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.722 -2.681 -10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.809 -1.192 -10.904 1.00 0.00 H new ATOM 981 N GLN A 62 0.521 -3.910 -7.666 1.00 0.00 N ATOM 982 CA GLN A 62 1.144 -3.891 -6.351 1.00 0.00 C ATOM 983 C GLN A 62 1.725 -2.495 -6.132 1.00 0.00 C ATOM 984 O GLN A 62 1.374 -1.541 -6.826 1.00 0.00 O ATOM 985 CB GLN A 62 2.201 -5.013 -6.302 1.00 0.00 C ATOM 986 CG GLN A 62 1.537 -6.392 -6.391 1.00 0.00 C ATOM 987 CD GLN A 62 2.510 -7.428 -6.949 1.00 0.00 C ATOM 988 OE1 GLN A 62 3.369 -7.957 -6.246 1.00 0.00 O ATOM 989 NE2 GLN A 62 2.400 -7.707 -8.236 1.00 0.00 N ATOM 0 H GLN A 62 1.175 -3.694 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 62 0.437 -4.083 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.906 -4.890 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.773 -4.939 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.197 -6.701 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.655 -6.335 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.678 -7.254 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.037 -8.376 -8.669 1.00 0.00 H new ATOM 998 N LYS A 63 2.594 -2.348 -5.137 1.00 0.00 N ATOM 999 CA LYS A 63 3.373 -1.141 -4.933 1.00 0.00 C ATOM 1000 C LYS A 63 4.281 -0.887 -6.127 1.00 0.00 C ATOM 1001 O LYS A 63 4.571 -1.783 -6.918 1.00 0.00 O ATOM 1002 CB LYS A 63 4.190 -1.274 -3.632 1.00 0.00 C ATOM 1003 CG LYS A 63 5.413 -2.189 -3.731 1.00 0.00 C ATOM 1004 CD LYS A 63 6.008 -2.428 -2.334 1.00 0.00 C ATOM 1005 CE LYS A 63 7.382 -3.092 -2.460 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.965 -3.447 -1.138 1.00 0.00 N ATOM 0 H LYS A 63 2.776 -3.074 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 63 2.702 -0.287 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.520 -0.282 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.535 -1.650 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.130 -3.140 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.162 -1.738 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.099 -1.482 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.341 -3.061 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.293 -3.992 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.061 -2.419 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.894 -3.893 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.076 -2.586 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.332 -4.110 -0.646 1.00 0.00 H new ATOM 1020 N GLU A 64 4.746 0.358 -6.174 1.00 0.00 N ATOM 1021 CA GLU A 64 5.655 0.924 -7.160 1.00 0.00 C ATOM 1022 C GLU A 64 5.273 0.445 -8.569 1.00 0.00 C ATOM 1023 O GLU A 64 6.102 -0.013 -9.354 1.00 0.00 O ATOM 1024 CB GLU A 64 7.127 0.798 -6.703 1.00 0.00 C ATOM 1025 CG GLU A 64 7.809 -0.565 -6.813 1.00 0.00 C ATOM 1026 CD GLU A 64 9.122 -0.602 -6.014 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.089 -0.890 -4.792 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.202 -0.350 -6.601 1.00 0.00 O ATOM 0 H GLU A 64 4.476 1.046 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 64 5.546 2.006 -7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.716 1.511 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.179 1.112 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.136 -1.341 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.012 -0.788 -7.860 1.00 0.00 H new ATOM 1035 N SER A 65 3.968 0.533 -8.851 1.00 0.00 N ATOM 1036 CA SER A 65 3.399 -0.004 -10.093 1.00 0.00 C ATOM 1037 C SER A 65 2.750 1.132 -10.859 1.00 0.00 C ATOM 1038 O SER A 65 2.251 2.076 -10.249 1.00 0.00 O ATOM 1039 CB SER A 65 2.407 -1.137 -9.804 1.00 0.00 C ATOM 1040 OG SER A 65 3.048 -2.284 -9.265 1.00 0.00 O ATOM 0 H SER A 65 3.284 0.972 -8.234 1.00 0.00 H new ATOM 0 HA SER A 65 4.191 -0.438 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.648 -0.784 -9.105 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.891 -1.410 -10.724 1.00 0.00 H new ATOM 0 HG SER A 65 3.539 -2.034 -8.454 1.00 0.00 H new ATOM 1046 N THR A 66 2.752 1.048 -12.184 1.00 0.00 N ATOM 1047 CA THR A 66 2.348 2.146 -13.055 1.00 0.00 C ATOM 1048 C THR A 66 0.950 1.883 -13.599 1.00 0.00 C ATOM 1049 O THR A 66 0.592 0.751 -13.912 1.00 0.00 O ATOM 1050 CB THR A 66 3.383 2.351 -14.185 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.684 2.409 -13.619 1.00 0.00 O ATOM 1052 CG2 THR A 66 3.159 3.633 -15.012 1.00 0.00 C ATOM 0 H THR A 66 3.037 0.209 -12.689 1.00 0.00 H new ATOM 0 HA THR A 66 2.315 3.072 -12.481 1.00 0.00 H new ATOM 0 HB THR A 66 3.267 1.505 -14.863 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.345 2.537 -14.331 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.925 3.706 -15.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.175 3.597 -15.479 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.219 4.503 -14.358 1.00 0.00 H new ATOM 1060 N LEU A 67 0.172 2.953 -13.727 1.00 0.00 N ATOM 1061 CA LEU A 67 -1.192 3.005 -14.227 1.00 0.00 C ATOM 1062 C LEU A 67 -1.309 4.053 -15.331 1.00 0.00 C ATOM 1063 O LEU A 67 -0.388 4.840 -15.515 1.00 0.00 O ATOM 1064 CB LEU A 67 -2.080 3.403 -13.035 1.00 0.00 C ATOM 1065 CG LEU A 67 -3.273 2.490 -12.808 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -2.799 1.119 -12.339 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.168 3.099 -11.731 1.00 0.00 C ATOM 0 H LEU A 67 0.509 3.879 -13.462 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.493 2.044 -14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.470 3.415 -12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.441 4.420 -13.190 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.825 2.381 -13.742 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.661 0.471 -12.179 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.151 0.679 -13.097 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.246 1.225 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.027 2.450 -11.562 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.603 3.203 -10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.513 4.080 -12.057 1.00 0.00 H new ATOM 1079 N HIS A 68 -2.471 4.148 -15.980 1.00 0.00 N ATOM 1080 CA HIS A 68 -2.701 5.124 -17.058 1.00 0.00 C ATOM 1081 C HIS A 68 -4.029 5.850 -16.868 1.00 0.00 C ATOM 1082 O HIS A 68 -5.043 5.202 -16.613 1.00 0.00 O ATOM 1083 CB HIS A 68 -2.703 4.416 -18.428 1.00 0.00 C ATOM 1084 CG HIS A 68 -1.363 4.306 -19.106 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -0.883 3.158 -19.742 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -0.499 5.339 -19.334 1.00 0.00 C ATOM 1087 CE1 HIS A 68 0.278 3.520 -20.312 1.00 0.00 C ATOM 1088 NE2 HIS A 68 0.543 4.812 -20.066 1.00 0.00 N ATOM 0 H HIS A 68 -3.277 3.557 -15.778 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.892 5.854 -17.022 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.107 3.412 -18.297 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.383 4.950 -19.092 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -1.322 2.238 -19.768 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.610 6.362 -19.007 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.911 2.862 -20.889 1.00 0.00 H new ATOM 1096 N LEU A 69 -4.036 7.179 -17.032 1.00 0.00 N ATOM 1097 CA LEU A 69 -5.269 7.973 -17.119 1.00 0.00 C ATOM 1098 C LEU A 69 -5.651 7.984 -18.584 1.00 0.00 C ATOM 1099 O LEU A 69 -4.874 8.455 -19.403 1.00 0.00 O ATOM 1100 CB LEU A 69 -5.065 9.442 -16.627 1.00 0.00 C ATOM 1101 CG LEU A 69 -5.844 10.596 -17.340 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -7.349 10.479 -17.085 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -5.379 11.964 -16.868 1.00 0.00 C ATOM 0 H LEU A 69 -3.185 7.736 -17.108 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.039 7.537 -16.482 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.326 9.474 -15.569 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.001 9.669 -16.700 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.639 10.498 -18.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.868 11.293 -17.591 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.710 9.524 -17.468 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.542 10.536 -16.014 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.944 12.739 -17.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.542 12.053 -15.794 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.317 12.082 -17.085 1.00 0.00 H new ATOM 1115 N VAL A 70 -6.868 7.560 -18.880 1.00 0.00 N ATOM 1116 CA VAL A 70 -7.523 7.693 -20.174 1.00 0.00 C ATOM 1117 C VAL A 70 -8.917 8.235 -19.837 1.00 0.00 C ATOM 1118 O VAL A 70 -9.331 8.218 -18.682 1.00 0.00 O ATOM 1119 CB VAL A 70 -7.429 6.324 -20.879 1.00 0.00 C ATOM 1120 CG1 VAL A 70 -8.221 6.256 -22.169 1.00 0.00 C ATOM 1121 CG2 VAL A 70 -5.959 5.971 -21.192 1.00 0.00 C ATOM 0 H VAL A 70 -7.456 7.090 -18.192 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.083 8.384 -20.893 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.860 5.606 -20.181 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.111 5.266 -22.612 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.274 6.445 -21.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.849 7.008 -22.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.915 5.002 -21.689 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.533 6.733 -21.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.389 5.929 -20.264 1.00 0.00 H new ATOM 1131 N LEU A 71 -9.644 8.770 -20.808 1.00 0.00 N ATOM 1132 CA LEU A 71 -10.950 9.386 -20.583 1.00 0.00 C ATOM 1133 C LEU A 71 -12.038 8.355 -20.874 1.00 0.00 C ATOM 1134 O LEU A 71 -11.842 7.492 -21.716 1.00 0.00 O ATOM 1135 CB LEU A 71 -11.039 10.590 -21.538 1.00 0.00 C ATOM 1136 CG LEU A 71 -12.224 11.525 -21.244 1.00 0.00 C ATOM 1137 CD1 LEU A 71 -11.745 12.737 -20.452 1.00 0.00 C ATOM 1138 CD2 LEU A 71 -12.920 11.987 -22.519 1.00 0.00 C ATOM 0 H LEU A 71 -9.344 8.790 -21.783 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.081 9.721 -19.554 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.113 11.161 -21.476 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.121 10.225 -22.562 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.949 10.960 -20.658 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.590 13.395 -20.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.306 12.406 -19.511 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.996 13.277 -21.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.750 12.645 -22.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.210 12.526 -23.146 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.298 11.121 -23.062 1.00 0.00 H new ATOM 1150 N ARG A 72 -13.200 8.447 -20.225 1.00 0.00 N ATOM 1151 CA ARG A 72 -14.383 7.629 -20.548 1.00 0.00 C ATOM 1152 C ARG A 72 -14.983 8.001 -21.903 1.00 0.00 C ATOM 1153 O ARG A 72 -15.572 7.152 -22.562 1.00 0.00 O ATOM 1154 CB ARG A 72 -15.480 7.820 -19.462 1.00 0.00 C ATOM 1155 CG ARG A 72 -16.506 6.664 -19.447 1.00 0.00 C ATOM 1156 CD ARG A 72 -16.372 5.705 -18.258 1.00 0.00 C ATOM 1157 NE ARG A 72 -17.174 6.144 -17.095 1.00 0.00 N ATOM 1158 CZ ARG A 72 -17.860 5.355 -16.252 1.00 0.00 C ATOM 1159 NH1 ARG A 72 -17.762 4.028 -16.333 1.00 0.00 N ATOM 1160 NH2 ARG A 72 -18.640 5.888 -15.321 1.00 0.00 N ATOM 0 H ARG A 72 -13.354 9.095 -19.453 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.050 6.592 -20.582 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.008 7.895 -18.482 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.001 8.761 -19.638 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.510 7.088 -19.444 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.404 6.093 -20.370 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.689 4.707 -18.560 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.324 5.632 -17.968 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.210 7.147 -16.915 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.162 3.603 -17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.287 3.438 -15.688 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.721 6.902 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.159 5.284 -14.683 1.00 0.00 H new ATOM 1174 N LEU A 73 -14.829 9.276 -22.298 1.00 0.00 N ATOM 1175 CA LEU A 73 -15.545 9.888 -23.423 1.00 0.00 C ATOM 1176 C LEU A 73 -17.046 9.726 -23.095 1.00 0.00 C ATOM 1177 O LEU A 73 -17.834 9.376 -23.973 1.00 0.00 O ATOM 1178 CB LEU A 73 -15.172 9.347 -24.835 1.00 0.00 C ATOM 1179 CG LEU A 73 -13.727 9.337 -25.376 1.00 0.00 C ATOM 1180 CD1 LEU A 73 -13.059 10.674 -25.703 1.00 0.00 C ATOM 1181 CD2 LEU A 73 -12.802 8.445 -24.561 1.00 0.00 C ATOM 0 H LEU A 73 -14.190 9.920 -21.833 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.251 10.934 -23.510 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.524 8.316 -24.874 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.767 9.915 -25.551 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.886 8.905 -26.364 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.049 10.496 -26.071 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.638 11.193 -26.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.014 11.288 -24.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.799 8.476 -24.986 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.770 8.799 -23.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.173 7.420 -24.582 1.00 0.00 H new ATOM 1325 N ILE B 677 -9.164 16.814 -33.161 1.00 0.00 N ATOM 1326 CA ILE B 677 -8.834 16.222 -31.859 1.00 0.00 C ATOM 1327 C ILE B 677 -7.721 17.062 -31.224 1.00 0.00 C ATOM 1328 O ILE B 677 -6.776 17.458 -31.918 1.00 0.00 O ATOM 1329 CB ILE B 677 -8.412 14.737 -32.026 1.00 0.00 C ATOM 1330 CG1 ILE B 677 -9.624 13.876 -32.453 1.00 0.00 C ATOM 1331 CG2 ILE B 677 -7.764 14.168 -30.744 1.00 0.00 C ATOM 1332 CD1 ILE B 677 -9.246 12.458 -32.898 1.00 0.00 C ATOM 0 HA ILE B 677 -9.706 16.227 -31.205 1.00 0.00 H new ATOM 0 HB ILE B 677 -7.657 14.700 -32.811 1.00 0.00 H new ATOM 0 HG12 ILE B 677 -10.324 13.811 -31.620 1.00 0.00 H new ATOM 0 HG13 ILE B 677 -10.145 14.377 -33.269 1.00 0.00 H new ATOM 0 HG21 ILE B 677 -7.485 13.127 -30.908 1.00 0.00 H new ATOM 0 HG22 ILE B 677 -6.874 14.747 -30.498 1.00 0.00 H new ATOM 0 HG23 ILE B 677 -8.475 14.227 -29.920 1.00 0.00 H new ATOM 0 HD11 ILE B 677 -10.147 11.914 -33.183 1.00 0.00 H new ATOM 0 HD12 ILE B 677 -8.570 12.513 -33.751 1.00 0.00 H new ATOM 0 HD13 ILE B 677 -8.752 11.938 -32.077 1.00 0.00 H new ATOM 1344 N THR B 678 -7.798 17.284 -29.912 1.00 0.00 N ATOM 1345 CA THR B 678 -6.810 18.049 -29.171 1.00 0.00 C ATOM 1346 C THR B 678 -6.068 17.160 -28.166 1.00 0.00 C ATOM 1347 O THR B 678 -6.578 16.148 -27.671 1.00 0.00 O ATOM 1348 CB THR B 678 -7.485 19.298 -28.576 1.00 0.00 C ATOM 1349 OG1 THR B 678 -6.493 20.238 -28.198 1.00 0.00 O ATOM 1350 CG2 THR B 678 -8.403 19.025 -27.380 1.00 0.00 C ATOM 0 H THR B 678 -8.559 16.931 -29.332 1.00 0.00 H new ATOM 0 HA THR B 678 -6.023 18.415 -29.831 1.00 0.00 H new ATOM 0 HB THR B 678 -8.128 19.688 -29.365 1.00 0.00 H new ATOM 0 HG1 THR B 678 -6.923 21.034 -27.821 1.00 0.00 H new ATOM 0 HG21 THR B 678 -8.833 19.963 -27.029 1.00 0.00 H new ATOM 0 HG22 THR B 678 -9.204 18.350 -27.682 1.00 0.00 H new ATOM 0 HG23 THR B 678 -7.827 18.567 -26.576 1.00 0.00 H new ATOM 1358 N PHE B 679 -4.832 17.572 -27.878 1.00 0.00 N ATOM 1359 CA PHE B 679 -3.901 16.951 -26.947 1.00 0.00 C ATOM 1360 C PHE B 679 -3.478 18.051 -25.950 1.00 0.00 C ATOM 1361 O PHE B 679 -2.502 18.766 -26.203 1.00 0.00 O ATOM 1362 CB PHE B 679 -2.717 16.333 -27.710 1.00 0.00 C ATOM 1363 CG PHE B 679 -3.009 15.005 -28.400 1.00 0.00 C ATOM 1364 CD1 PHE B 679 -2.922 13.790 -27.684 1.00 0.00 C ATOM 1365 CD2 PHE B 679 -3.319 14.971 -29.772 1.00 0.00 C ATOM 1366 CE1 PHE B 679 -3.143 12.559 -28.321 1.00 0.00 C ATOM 1367 CE2 PHE B 679 -3.517 13.738 -30.422 1.00 0.00 C ATOM 1368 CZ PHE B 679 -3.421 12.535 -29.701 1.00 0.00 C ATOM 0 H PHE B 679 -4.434 18.401 -28.319 1.00 0.00 H new ATOM 0 HA PHE B 679 -4.354 16.125 -26.398 1.00 0.00 H new ATOM 0 HB2 PHE B 679 -2.377 17.047 -28.461 1.00 0.00 H new ATOM 0 HB3 PHE B 679 -1.892 16.188 -27.012 1.00 0.00 H new ATOM 0 HD1 PHE B 679 -2.682 13.809 -26.631 1.00 0.00 H new ATOM 0 HD2 PHE B 679 -3.405 15.893 -30.328 1.00 0.00 H new ATOM 0 HE1 PHE B 679 -3.100 11.639 -27.758 1.00 0.00 H new ATOM 0 HE2 PHE B 679 -3.743 13.716 -31.478 1.00 0.00 H new ATOM 0 HZ PHE B 679 -3.561 11.591 -30.206 1.00 0.00 H new ATOM 1378 N PRO B 680 -4.260 18.269 -24.874 1.00 0.00 N ATOM 1379 CA PRO B 680 -4.055 19.335 -23.889 1.00 0.00 C ATOM 1380 C PRO B 680 -2.904 19.003 -22.927 1.00 0.00 C ATOM 1381 O PRO B 680 -2.296 17.937 -23.012 1.00 0.00 O ATOM 1382 CB PRO B 680 -5.388 19.390 -23.126 1.00 0.00 C ATOM 1383 CG PRO B 680 -5.764 17.912 -23.085 1.00 0.00 C ATOM 1384 CD PRO B 680 -5.426 17.485 -24.510 1.00 0.00 C ATOM 0 HA PRO B 680 -3.786 20.281 -24.359 1.00 0.00 H new ATOM 0 HB2 PRO B 680 -5.274 19.814 -22.128 1.00 0.00 H new ATOM 0 HB3 PRO B 680 -6.135 19.991 -23.645 1.00 0.00 H new ATOM 0 HG2 PRO B 680 -5.188 17.361 -22.342 1.00 0.00 H new ATOM 0 HG3 PRO B 680 -6.817 17.761 -22.848 1.00 0.00 H new ATOM 0 HD2 PRO B 680 -5.215 16.417 -24.562 1.00 0.00 H new ATOM 0 HD3 PRO B 680 -6.258 17.678 -25.187 1.00 0.00 H new ATOM 1392 N SER B 681 -2.706 19.833 -21.901 1.00 0.00 N ATOM 1393 CA SER B 681 -1.811 19.616 -20.761 1.00 0.00 C ATOM 1394 C SER B 681 -2.204 18.410 -19.870 1.00 0.00 C ATOM 1395 O SER B 681 -1.775 18.332 -18.718 1.00 0.00 O ATOM 1396 CB SER B 681 -1.756 20.918 -19.936 1.00 0.00 C ATOM 1397 OG SER B 681 -1.598 22.056 -20.782 1.00 0.00 O ATOM 0 H SER B 681 -3.194 20.727 -21.839 1.00 0.00 H new ATOM 0 HA SER B 681 -0.827 19.362 -21.155 1.00 0.00 H new ATOM 0 HB2 SER B 681 -2.670 21.020 -19.351 1.00 0.00 H new ATOM 0 HB3 SER B 681 -0.928 20.869 -19.229 1.00 0.00 H new ATOM 0 HG SER B 681 -1.568 22.869 -20.235 1.00 0.00 H new ATOM 1403 N ASP B 682 -2.988 17.454 -20.388 1.00 0.00 N ATOM 1404 CA ASP B 682 -3.364 16.215 -19.707 1.00 0.00 C ATOM 1405 C ASP B 682 -3.257 14.977 -20.603 1.00 0.00 C ATOM 1406 O ASP B 682 -3.145 13.868 -20.082 1.00 0.00 O ATOM 1407 CB ASP B 682 -4.791 16.298 -19.161 1.00 0.00 C ATOM 1408 CG ASP B 682 -4.936 17.278 -17.989 1.00 0.00 C ATOM 1409 OD1 ASP B 682 -4.660 16.877 -16.834 1.00 0.00 O ATOM 1410 OD2 ASP B 682 -5.363 18.435 -18.222 1.00 0.00 O ATOM 0 H ASP B 682 -3.389 17.528 -21.323 1.00 0.00 H new ATOM 0 HA ASP B 682 -2.651 16.105 -18.890 1.00 0.00 H new ATOM 0 HB2 ASP B 682 -5.463 16.601 -19.964 1.00 0.00 H new ATOM 0 HB3 ASP B 682 -5.107 15.306 -18.838 1.00 0.00 H new ATOM 1415 N ILE B 683 -3.296 15.126 -21.932 1.00 0.00 N ATOM 1416 CA ILE B 683 -3.198 14.024 -22.878 1.00 0.00 C ATOM 1417 C ILE B 683 -2.256 14.478 -24.006 1.00 0.00 C ATOM 1418 O ILE B 683 -2.490 15.531 -24.584 1.00 0.00 O ATOM 1419 CB ILE B 683 -4.606 13.613 -23.391 1.00 0.00 C ATOM 1420 CG1 ILE B 683 -5.551 12.925 -22.378 1.00 0.00 C ATOM 1421 CG2 ILE B 683 -4.478 12.665 -24.596 1.00 0.00 C ATOM 1422 CD1 ILE B 683 -6.060 13.719 -21.185 1.00 0.00 C ATOM 0 H ILE B 683 -3.399 16.036 -22.382 1.00 0.00 H new ATOM 0 HA ILE B 683 -2.788 13.130 -22.408 1.00 0.00 H new ATOM 0 HB ILE B 683 -5.062 14.573 -23.634 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -6.420 12.568 -22.930 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -5.035 12.046 -21.992 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -5.472 12.385 -24.946 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -3.939 13.168 -25.399 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -3.932 11.770 -24.298 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -6.709 13.088 -20.578 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -5.215 14.055 -20.584 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -6.622 14.584 -21.537 1.00 0.00 H new ATOM 1434 N ASP B 684 -1.229 13.696 -24.355 1.00 0.00 N ATOM 1435 CA ASP B 684 -0.203 13.989 -25.367 1.00 0.00 C ATOM 1436 C ASP B 684 -0.002 12.745 -26.249 1.00 0.00 C ATOM 1437 O ASP B 684 -0.156 11.628 -25.738 1.00 0.00 O ATOM 1438 CB ASP B 684 1.119 14.324 -24.667 1.00 0.00 C ATOM 1439 CG ASP B 684 2.273 14.555 -25.646 1.00 0.00 C ATOM 1440 OD1 ASP B 684 2.950 13.563 -25.999 1.00 0.00 O ATOM 1441 OD2 ASP B 684 2.514 15.723 -26.026 1.00 0.00 O ATOM 0 H ASP B 684 -1.081 12.788 -23.914 1.00 0.00 H new ATOM 0 HA ASP B 684 -0.519 14.834 -25.979 1.00 0.00 H new ATOM 0 HB2 ASP B 684 0.984 15.217 -24.056 1.00 0.00 H new ATOM 0 HB3 ASP B 684 1.381 13.511 -23.990 1.00 0.00 H new ATOM 1446 N PRO B 685 0.320 12.884 -27.549 1.00 0.00 N ATOM 1447 CA PRO B 685 0.475 11.740 -28.437 1.00 0.00 C ATOM 1448 C PRO B 685 1.460 10.673 -27.938 1.00 0.00 C ATOM 1449 O PRO B 685 1.251 9.500 -28.232 1.00 0.00 O ATOM 1450 CB PRO B 685 0.918 12.305 -29.787 1.00 0.00 C ATOM 1451 CG PRO B 685 0.375 13.728 -29.779 1.00 0.00 C ATOM 1452 CD PRO B 685 0.483 14.123 -28.307 1.00 0.00 C ATOM 0 HA PRO B 685 -0.475 11.210 -28.497 1.00 0.00 H new ATOM 0 HB2 PRO B 685 2.003 12.291 -29.890 1.00 0.00 H new ATOM 0 HB3 PRO B 685 0.511 11.726 -30.616 1.00 0.00 H new ATOM 0 HG2 PRO B 685 0.961 14.388 -30.419 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -0.654 13.770 -30.135 1.00 0.00 H new ATOM 0 HD2 PRO B 685 1.447 14.586 -28.096 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -0.285 14.849 -28.040 1.00 0.00 H new ATOM 1460 N GLN B 686 2.521 11.019 -27.196 1.00 0.00 N ATOM 1461 CA GLN B 686 3.554 10.038 -26.864 1.00 0.00 C ATOM 1462 C GLN B 686 2.994 8.913 -25.990 1.00 0.00 C ATOM 1463 O GLN B 686 3.133 7.751 -26.377 1.00 0.00 O ATOM 1464 CB GLN B 686 4.864 10.698 -26.366 1.00 0.00 C ATOM 1465 CG GLN B 686 5.399 10.290 -24.979 1.00 0.00 C ATOM 1466 CD GLN B 686 4.785 11.000 -23.764 1.00 0.00 C ATOM 1467 OE1 GLN B 686 5.034 10.603 -22.631 1.00 0.00 O ATOM 1468 NE2 GLN B 686 3.960 12.023 -23.922 1.00 0.00 N ATOM 0 H GLN B 686 2.682 11.954 -26.822 1.00 0.00 H new ATOM 0 HA GLN B 686 3.866 9.539 -27.782 1.00 0.00 H new ATOM 0 HB2 GLN B 686 5.643 10.488 -27.099 1.00 0.00 H new ATOM 0 HB3 GLN B 686 4.713 11.777 -26.361 1.00 0.00 H new ATOM 0 HG2 GLN B 686 5.247 9.217 -24.858 1.00 0.00 H new ATOM 0 HG3 GLN B 686 6.475 10.463 -24.966 1.00 0.00 H new ATOM 0 HE21 GLN B 686 3.744 12.364 -24.859 1.00 0.00 H new ATOM 0 HE22 GLN B 686 3.540 12.470 -23.107 1.00 0.00 H new ATOM 1477 N VAL B 687 2.313 9.194 -24.866 1.00 0.00 N ATOM 1478 CA VAL B 687 1.700 8.133 -24.090 1.00 0.00 C ATOM 1479 C VAL B 687 0.667 7.434 -24.956 1.00 0.00 C ATOM 1480 O VAL B 687 0.548 6.221 -24.859 1.00 0.00 O ATOM 1481 CB VAL B 687 1.048 8.699 -22.827 1.00 0.00 C ATOM 1482 CG1 VAL B 687 0.732 7.571 -21.839 1.00 0.00 C ATOM 1483 CG2 VAL B 687 1.952 9.711 -22.127 1.00 0.00 C ATOM 0 H VAL B 687 2.181 10.133 -24.490 1.00 0.00 H new ATOM 0 HA VAL B 687 2.462 7.419 -23.778 1.00 0.00 H new ATOM 0 HB VAL B 687 0.132 9.199 -23.140 1.00 0.00 H new ATOM 0 HG11 VAL B 687 0.269 7.989 -20.945 1.00 0.00 H new ATOM 0 HG12 VAL B 687 0.048 6.861 -22.304 1.00 0.00 H new ATOM 0 HG13 VAL B 687 1.654 7.059 -21.564 1.00 0.00 H new ATOM 0 HG21 VAL B 687 1.452 10.089 -21.235 1.00 0.00 H new ATOM 0 HG22 VAL B 687 2.887 9.228 -21.842 1.00 0.00 H new ATOM 0 HG23 VAL B 687 2.163 10.539 -22.803 1.00 0.00 H new ATOM 1493 N PHE B 688 -0.055 8.172 -25.803 1.00 0.00 N ATOM 1494 CA PHE B 688 -1.105 7.578 -26.599 1.00 0.00 C ATOM 1495 C PHE B 688 -0.571 6.487 -27.527 1.00 0.00 C ATOM 1496 O PHE B 688 -1.163 5.411 -27.612 1.00 0.00 O ATOM 1497 CB PHE B 688 -1.833 8.655 -27.396 1.00 0.00 C ATOM 1498 CG PHE B 688 -3.118 8.148 -27.996 1.00 0.00 C ATOM 1499 CD1 PHE B 688 -4.165 7.791 -27.136 1.00 0.00 C ATOM 1500 CD2 PHE B 688 -3.280 8.052 -29.387 1.00 0.00 C ATOM 1501 CE1 PHE B 688 -5.408 7.422 -27.653 1.00 0.00 C ATOM 1502 CE2 PHE B 688 -4.529 7.675 -29.913 1.00 0.00 C ATOM 1503 CZ PHE B 688 -5.600 7.391 -29.046 1.00 0.00 C ATOM 0 H PHE B 688 0.075 9.173 -25.947 1.00 0.00 H new ATOM 0 HA PHE B 688 -1.810 7.103 -25.917 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -2.047 9.503 -26.746 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -1.182 9.019 -28.191 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -4.009 7.801 -26.067 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -2.453 8.266 -30.048 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -6.218 7.162 -26.987 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -4.666 7.604 -30.982 1.00 0.00 H new ATOM 0 HZ PHE B 688 -6.571 7.149 -29.451 1.00 0.00 H new ATOM 1513 N TYR B 689 0.549 6.745 -28.204 1.00 0.00 N ATOM 1514 CA TYR B 689 1.171 5.773 -29.083 1.00 0.00 C ATOM 1515 C TYR B 689 1.791 4.619 -28.299 1.00 0.00 C ATOM 1516 O TYR B 689 1.881 3.510 -28.830 1.00 0.00 O ATOM 1517 CB TYR B 689 2.273 6.434 -29.916 1.00 0.00 C ATOM 1518 CG TYR B 689 1.844 7.576 -30.820 1.00 0.00 C ATOM 1519 CD1 TYR B 689 0.659 7.499 -31.574 1.00 0.00 C ATOM 1520 CD2 TYR B 689 2.671 8.709 -30.936 1.00 0.00 C ATOM 1521 CE1 TYR B 689 0.289 8.553 -32.429 1.00 0.00 C ATOM 1522 CE2 TYR B 689 2.320 9.763 -31.800 1.00 0.00 C ATOM 1523 CZ TYR B 689 1.127 9.690 -32.554 1.00 0.00 C ATOM 1524 OH TYR B 689 0.795 10.716 -33.391 1.00 0.00 O ATOM 0 H TYR B 689 1.045 7.635 -28.154 1.00 0.00 H new ATOM 0 HA TYR B 689 0.386 5.384 -29.731 1.00 0.00 H new ATOM 0 HB2 TYR B 689 3.039 6.806 -29.235 1.00 0.00 H new ATOM 0 HB3 TYR B 689 2.741 5.667 -30.533 1.00 0.00 H new ATOM 0 HD1 TYR B 689 0.029 6.625 -31.496 1.00 0.00 H new ATOM 0 HD2 TYR B 689 3.581 8.770 -30.358 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -0.632 8.496 -32.990 1.00 0.00 H new ATOM 0 HE2 TYR B 689 2.962 10.627 -31.887 1.00 0.00 H new ATOM 0 HH TYR B 689 1.485 11.410 -33.347 1.00 0.00 H new ATOM 1534 N GLU B 690 2.249 4.874 -27.073 1.00 0.00 N ATOM 1535 CA GLU B 690 3.052 3.944 -26.312 1.00 0.00 C ATOM 1536 C GLU B 690 2.180 3.010 -25.467 1.00 0.00 C ATOM 1537 O GLU B 690 2.563 1.858 -25.238 1.00 0.00 O ATOM 1538 CB GLU B 690 3.971 4.833 -25.464 1.00 0.00 C ATOM 1539 CG GLU B 690 4.701 4.165 -24.311 1.00 0.00 C ATOM 1540 CD GLU B 690 5.832 3.188 -24.706 1.00 0.00 C ATOM 1541 OE1 GLU B 690 5.898 2.720 -25.868 1.00 0.00 O ATOM 1542 OE2 GLU B 690 6.677 2.883 -23.829 1.00 0.00 O ATOM 0 H GLU B 690 2.064 5.749 -26.582 1.00 0.00 H new ATOM 0 HA GLU B 690 3.629 3.271 -26.946 1.00 0.00 H new ATOM 0 HB2 GLU B 690 4.715 5.279 -26.124 1.00 0.00 H new ATOM 0 HB3 GLU B 690 3.374 5.650 -25.059 1.00 0.00 H new ATOM 0 HG2 GLU B 690 5.124 4.942 -23.675 1.00 0.00 H new ATOM 0 HG3 GLU B 690 3.972 3.622 -23.710 1.00 0.00 H new ATOM 1549 N LEU B 691 1.014 3.479 -25.007 1.00 0.00 N ATOM 1550 CA LEU B 691 0.014 2.617 -24.395 1.00 0.00 C ATOM 1551 C LEU B 691 -0.486 1.632 -25.460 1.00 0.00 C ATOM 1552 O LEU B 691 -0.225 1.803 -26.655 1.00 0.00 O ATOM 1553 CB LEU B 691 -1.082 3.429 -23.661 1.00 0.00 C ATOM 1554 CG LEU B 691 -2.100 4.277 -24.451 1.00 0.00 C ATOM 1555 CD1 LEU B 691 -2.939 3.502 -25.458 1.00 0.00 C ATOM 1556 CD2 LEU B 691 -3.059 4.929 -23.448 1.00 0.00 C ATOM 0 H LEU B 691 0.745 4.462 -25.051 1.00 0.00 H new ATOM 0 HA LEU B 691 0.448 2.022 -23.592 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -1.653 2.723 -23.058 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -0.574 4.101 -22.970 1.00 0.00 H new ATOM 0 HG LEU B 691 -1.514 4.996 -25.024 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -3.624 4.184 -25.962 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -2.285 3.035 -26.194 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -3.510 2.732 -24.940 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -3.789 5.535 -23.984 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -3.576 4.154 -22.882 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -2.494 5.562 -22.764 1.00 0.00 H new ATOM 1568 N ALA B 692 -1.193 0.593 -25.019 1.00 0.00 N ATOM 1569 CA ALA B 692 -1.559 -0.541 -25.859 1.00 0.00 C ATOM 1570 C ALA B 692 -2.176 -0.111 -27.187 1.00 0.00 C ATOM 1571 O ALA B 692 -3.041 0.767 -27.226 1.00 0.00 O ATOM 1572 CB ALA B 692 -2.512 -1.445 -25.078 1.00 0.00 C ATOM 0 H ALA B 692 -1.530 0.516 -24.059 1.00 0.00 H new ATOM 0 HA ALA B 692 -0.651 -1.088 -26.113 1.00 0.00 H new ATOM 0 HB1 ALA B 692 -2.793 -2.298 -25.696 1.00 0.00 H new ATOM 0 HB2 ALA B 692 -2.018 -1.800 -24.174 1.00 0.00 H new ATOM 0 HB3 ALA B 692 -3.406 -0.883 -24.806 1.00 0.00 H new ATOM 1578 N GLU B 693 -1.776 -0.760 -28.277 1.00 0.00 N ATOM 1579 CA GLU B 693 -2.277 -0.446 -29.610 1.00 0.00 C ATOM 1580 C GLU B 693 -3.780 -0.613 -29.654 1.00 0.00 C ATOM 1581 O GLU B 693 -4.490 0.277 -30.110 1.00 0.00 O ATOM 1582 CB GLU B 693 -1.639 -1.354 -30.657 1.00 0.00 C ATOM 1583 CG GLU B 693 -0.194 -0.904 -30.931 1.00 0.00 C ATOM 1584 CD GLU B 693 0.491 -1.811 -31.970 1.00 0.00 C ATOM 1585 OE1 GLU B 693 1.088 -2.846 -31.576 1.00 0.00 O ATOM 1586 OE2 GLU B 693 0.456 -1.489 -33.183 1.00 0.00 O ATOM 0 H GLU B 693 -1.095 -1.519 -28.260 1.00 0.00 H new ATOM 0 HA GLU B 693 -2.017 0.589 -29.833 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -1.647 -2.387 -30.309 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -2.219 -1.324 -31.579 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -0.194 0.126 -31.289 1.00 0.00 H new ATOM 0 HG3 GLU B 693 0.375 -0.919 -30.002 1.00 0.00 H new ATOM 1593 N ALA B 694 -4.284 -1.714 -29.100 1.00 0.00 N ATOM 1594 CA ALA B 694 -5.707 -1.974 -29.164 1.00 0.00 C ATOM 1595 C ALA B 694 -6.491 -0.860 -28.446 1.00 0.00 C ATOM 1596 O ALA B 694 -7.577 -0.486 -28.885 1.00 0.00 O ATOM 1597 CB ALA B 694 -5.991 -3.351 -28.561 1.00 0.00 C ATOM 0 H ALA B 694 -3.736 -2.423 -28.613 1.00 0.00 H new ATOM 0 HA ALA B 694 -6.038 -1.977 -30.203 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -7.061 -3.554 -28.606 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -5.453 -4.113 -29.125 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -5.661 -3.368 -27.522 1.00 0.00 H new ATOM 1603 N VAL B 695 -5.910 -0.281 -27.385 1.00 0.00 N ATOM 1604 CA VAL B 695 -6.523 0.824 -26.661 1.00 0.00 C ATOM 1605 C VAL B 695 -6.424 2.087 -27.507 1.00 0.00 C ATOM 1606 O VAL B 695 -7.419 2.795 -27.610 1.00 0.00 O ATOM 1607 CB VAL B 695 -5.850 0.983 -25.279 1.00 0.00 C ATOM 1608 CG1 VAL B 695 -6.074 2.350 -24.620 1.00 0.00 C ATOM 1609 CG2 VAL B 695 -6.377 -0.071 -24.304 1.00 0.00 C ATOM 0 H VAL B 695 -5.006 -0.570 -27.012 1.00 0.00 H new ATOM 0 HA VAL B 695 -7.579 0.625 -26.480 1.00 0.00 H new ATOM 0 HB VAL B 695 -4.784 0.869 -25.478 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -5.568 2.376 -23.655 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -5.672 3.134 -25.262 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -7.142 2.513 -24.474 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -5.893 0.055 -23.336 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -7.455 0.046 -24.189 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -6.160 -1.066 -24.692 1.00 0.00 H new ATOM 1619 N GLN B 696 -5.269 2.393 -28.105 1.00 0.00 N ATOM 1620 CA GLN B 696 -5.124 3.641 -28.848 1.00 0.00 C ATOM 1621 C GLN B 696 -6.043 3.648 -30.072 1.00 0.00 C ATOM 1622 O GLN B 696 -6.648 4.673 -30.361 1.00 0.00 O ATOM 1623 CB GLN B 696 -3.646 3.951 -29.137 1.00 0.00 C ATOM 1624 CG GLN B 696 -3.037 3.342 -30.404 1.00 0.00 C ATOM 1625 CD GLN B 696 -1.505 3.397 -30.388 1.00 0.00 C ATOM 1626 OE1 GLN B 696 -0.888 3.960 -31.290 1.00 0.00 O ATOM 1627 NE2 GLN B 696 -0.856 2.803 -29.397 1.00 0.00 N ATOM 0 H GLN B 696 -4.437 1.804 -28.089 1.00 0.00 H new ATOM 0 HA GLN B 696 -5.460 4.475 -28.233 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -3.533 5.034 -29.195 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -3.057 3.614 -28.284 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -3.362 2.306 -30.501 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -3.410 3.876 -31.278 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -1.376 2.338 -28.653 1.00 0.00 H new ATOM 0 HE22 GLN B 696 0.164 2.811 -29.378 1.00 0.00 H new ATOM 1636 N LYS B 697 -6.249 2.506 -30.742 1.00 0.00 N ATOM 1637 CA LYS B 697 -7.201 2.411 -31.854 1.00 0.00 C ATOM 1638 C LYS B 697 -8.623 2.646 -31.359 1.00 0.00 C ATOM 1639 O LYS B 697 -9.342 3.469 -31.926 1.00 0.00 O ATOM 1640 CB LYS B 697 -7.103 1.024 -32.522 1.00 0.00 C ATOM 1641 CG LYS B 697 -5.746 0.744 -33.195 1.00 0.00 C ATOM 1642 CD LYS B 697 -5.339 1.732 -34.304 1.00 0.00 C ATOM 1643 CE LYS B 697 -6.347 1.875 -35.461 1.00 0.00 C ATOM 1644 NZ LYS B 697 -6.476 0.641 -36.287 1.00 0.00 N ATOM 0 H LYS B 697 -5.766 1.633 -30.531 1.00 0.00 H new ATOM 0 HA LYS B 697 -6.952 3.178 -32.587 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -7.289 0.257 -31.770 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -7.892 0.936 -33.269 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -4.972 0.748 -32.427 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -5.771 -0.260 -33.618 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -5.185 2.713 -33.855 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -4.381 1.416 -34.716 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -7.324 2.134 -35.053 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -6.040 2.702 -36.101 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -7.168 0.802 -37.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -5.553 0.404 -36.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -6.797 -0.146 -35.688 1.00 0.00 H new ATOM 1658 N GLU B 698 -9.018 1.947 -30.294 1.00 0.00 N ATOM 1659 CA GLU B 698 -10.369 2.075 -29.735 1.00 0.00 C ATOM 1660 C GLU B 698 -10.636 3.514 -29.283 1.00 0.00 C ATOM 1661 O GLU B 698 -11.699 4.071 -29.563 1.00 0.00 O ATOM 1662 CB GLU B 698 -10.557 1.106 -28.555 1.00 0.00 C ATOM 1663 CG GLU B 698 -10.853 -0.332 -29.011 1.00 0.00 C ATOM 1664 CD GLU B 698 -10.877 -1.338 -27.842 1.00 0.00 C ATOM 1665 OE1 GLU B 698 -11.231 -0.964 -26.695 1.00 0.00 O ATOM 1666 OE2 GLU B 698 -10.579 -2.535 -28.073 1.00 0.00 O ATOM 0 H GLU B 698 -8.422 1.284 -29.799 1.00 0.00 H new ATOM 0 HA GLU B 698 -11.085 1.820 -30.516 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -9.657 1.110 -27.940 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -11.374 1.459 -27.926 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -11.815 -0.355 -29.523 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -10.099 -0.641 -29.735 1.00 0.00 H new ATOM 1673 N LEU B 699 -9.655 4.132 -28.619 1.00 0.00 N ATOM 1674 CA LEU B 699 -9.754 5.501 -28.136 1.00 0.00 C ATOM 1675 C LEU B 699 -9.866 6.437 -29.307 1.00 0.00 C ATOM 1676 O LEU B 699 -10.761 7.259 -29.310 1.00 0.00 O ATOM 1677 CB LEU B 699 -8.505 5.902 -27.340 1.00 0.00 C ATOM 1678 CG LEU B 699 -8.565 5.486 -25.873 1.00 0.00 C ATOM 1679 CD1 LEU B 699 -7.157 5.498 -25.265 1.00 0.00 C ATOM 1680 CD2 LEU B 699 -9.473 6.445 -25.082 1.00 0.00 C ATOM 0 H LEU B 699 -8.763 3.686 -28.403 1.00 0.00 H new ATOM 0 HA LEU B 699 -10.632 5.563 -27.492 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -7.627 5.451 -27.803 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -8.376 6.983 -27.399 1.00 0.00 H new ATOM 0 HG LEU B 699 -8.975 4.478 -25.816 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -7.210 5.200 -24.218 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -6.520 4.801 -25.809 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -6.739 6.502 -25.335 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -9.506 6.136 -24.037 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -9.077 7.458 -25.148 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -10.479 6.421 -25.500 1.00 0.00 H new ATOM 1692 N LEU B 700 -8.985 6.322 -30.296 1.00 0.00 N ATOM 1693 CA LEU B 700 -8.946 7.222 -31.432 1.00 0.00 C ATOM 1694 C LEU B 700 -10.271 7.219 -32.182 1.00 0.00 C ATOM 1695 O LEU B 700 -10.758 8.279 -32.576 1.00 0.00 O ATOM 1696 CB LEU B 700 -7.797 6.772 -32.332 1.00 0.00 C ATOM 1697 CG LEU B 700 -7.589 7.605 -33.604 1.00 0.00 C ATOM 1698 CD1 LEU B 700 -7.368 9.087 -33.277 1.00 0.00 C ATOM 1699 CD2 LEU B 700 -6.375 7.051 -34.354 1.00 0.00 C ATOM 0 H LEU B 700 -8.273 5.592 -30.327 1.00 0.00 H new ATOM 0 HA LEU B 700 -8.784 8.247 -31.099 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -6.875 6.791 -31.751 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -7.970 5.736 -32.622 1.00 0.00 H new ATOM 0 HG LEU B 700 -8.485 7.536 -34.221 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -7.224 9.646 -34.202 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -8.238 9.477 -32.749 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -6.484 9.193 -32.648 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -6.212 7.632 -35.262 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -5.493 7.118 -33.718 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -6.555 6.009 -34.617 1.00 0.00 H new ATOM 1711 N ALA B 701 -10.870 6.038 -32.343 1.00 0.00 N ATOM 1712 CA ALA B 701 -12.201 5.920 -32.908 1.00 0.00 C ATOM 1713 C ALA B 701 -13.211 6.671 -32.042 1.00 0.00 C ATOM 1714 O ALA B 701 -14.036 7.407 -32.574 1.00 0.00 O ATOM 1715 CB ALA B 701 -12.564 4.445 -33.073 1.00 0.00 C ATOM 0 H ALA B 701 -10.444 5.147 -32.086 1.00 0.00 H new ATOM 0 HA ALA B 701 -12.223 6.378 -33.897 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -13.564 4.362 -33.498 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -11.846 3.966 -33.739 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -12.541 3.954 -32.100 1.00 0.00 H new ATOM 1721 N GLU B 702 -13.129 6.566 -30.715 1.00 0.00 N ATOM 1722 CA GLU B 702 -13.969 7.328 -29.805 1.00 0.00 C ATOM 1723 C GLU B 702 -13.751 8.827 -30.009 1.00 0.00 C ATOM 1724 O GLU B 702 -14.707 9.577 -30.219 1.00 0.00 O ATOM 1725 CB GLU B 702 -13.689 6.918 -28.348 1.00 0.00 C ATOM 1726 CG GLU B 702 -14.953 6.961 -27.477 1.00 0.00 C ATOM 1727 CD GLU B 702 -16.065 5.960 -27.877 1.00 0.00 C ATOM 1728 OE1 GLU B 702 -15.834 5.019 -28.677 1.00 0.00 O ATOM 1729 OE2 GLU B 702 -17.213 6.127 -27.399 1.00 0.00 O ATOM 0 H GLU B 702 -12.472 5.944 -30.244 1.00 0.00 H new ATOM 0 HA GLU B 702 -15.014 7.108 -30.022 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -13.272 5.911 -28.330 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -12.936 7.582 -27.924 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -14.668 6.769 -26.443 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -15.365 7.970 -27.512 1.00 0.00 H new ATOM 1736 N TRP B 703 -12.497 9.278 -30.007 1.00 0.00 N ATOM 1737 CA TRP B 703 -12.123 10.672 -30.080 1.00 0.00 C ATOM 1738 C TRP B 703 -12.621 11.286 -31.400 1.00 0.00 C ATOM 1739 O TRP B 703 -13.043 12.443 -31.417 1.00 0.00 O ATOM 1740 CB TRP B 703 -10.594 10.728 -29.919 1.00 0.00 C ATOM 1741 CG TRP B 703 -9.959 10.152 -28.662 1.00 0.00 C ATOM 1742 CD1 TRP B 703 -10.560 9.587 -27.586 1.00 0.00 C ATOM 1743 CD2 TRP B 703 -8.551 10.172 -28.299 1.00 0.00 C ATOM 1744 NE1 TRP B 703 -9.650 9.337 -26.580 1.00 0.00 N ATOM 1745 CE2 TRP B 703 -8.400 9.738 -26.954 1.00 0.00 C ATOM 1746 CE3 TRP B 703 -7.397 10.581 -28.967 1.00 0.00 C ATOM 1747 CZ2 TRP B 703 -7.208 9.840 -26.243 1.00 0.00 C ATOM 1748 CZ3 TRP B 703 -6.172 10.669 -28.281 1.00 0.00 C ATOM 1749 CH2 TRP B 703 -6.083 10.350 -26.909 1.00 0.00 C ATOM 0 H TRP B 703 -11.693 8.653 -29.952 1.00 0.00 H new ATOM 0 HA TRP B 703 -12.585 11.266 -29.291 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -10.155 10.214 -30.774 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -10.295 11.774 -29.988 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -11.614 9.362 -27.525 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -9.879 8.912 -25.682 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -7.444 10.831 -30.016 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -7.150 9.535 -25.208 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -5.286 10.985 -28.812 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -5.156 10.497 -26.375 1.00 0.00 H new ATOM 1760 N LYS B 704 -12.659 10.513 -32.497 1.00 0.00 N ATOM 1761 CA LYS B 704 -13.122 11.003 -33.799 1.00 0.00 C ATOM 1762 C LYS B 704 -14.613 10.779 -34.048 1.00 0.00 C ATOM 1763 O LYS B 704 -15.176 11.477 -34.889 1.00 0.00 O ATOM 1764 CB LYS B 704 -12.265 10.426 -34.943 1.00 0.00 C ATOM 1765 CG LYS B 704 -12.649 9.020 -35.432 1.00 0.00 C ATOM 1766 CD LYS B 704 -11.936 8.644 -36.737 1.00 0.00 C ATOM 1767 CE LYS B 704 -10.403 8.569 -36.614 1.00 0.00 C ATOM 1768 NZ LYS B 704 -9.760 8.208 -37.910 1.00 0.00 N ATOM 0 H LYS B 704 -12.370 9.535 -32.504 1.00 0.00 H new ATOM 0 HA LYS B 704 -12.991 12.085 -33.777 1.00 0.00 H new ATOM 0 HB2 LYS B 704 -12.318 11.110 -35.790 1.00 0.00 H new ATOM 0 HB3 LYS B 704 -11.226 10.403 -34.615 1.00 0.00 H new ATOM 0 HG2 LYS B 704 -12.402 8.289 -34.662 1.00 0.00 H new ATOM 0 HG3 LYS B 704 -13.727 8.972 -35.583 1.00 0.00 H new ATOM 0 HD2 LYS B 704 -12.310 7.679 -37.079 1.00 0.00 H new ATOM 0 HD3 LYS B 704 -12.193 9.375 -37.503 1.00 0.00 H new ATOM 0 HE2 LYS B 704 -10.018 9.530 -36.273 1.00 0.00 H new ATOM 0 HE3 LYS B 704 -10.135 7.832 -35.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 704 -8.728 8.168 -37.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 704 -10.108 7.279 -38.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 704 -9.995 8.925 -38.626 1.00 0.00 H new ATOM 1782 N ARG B 705 -15.274 9.826 -33.370 1.00 0.00 N ATOM 1783 CA ARG B 705 -16.693 9.533 -33.644 1.00 0.00 C ATOM 1784 C ARG B 705 -17.561 10.571 -32.939 1.00 0.00 C ATOM 1785 O ARG B 705 -18.579 11.004 -33.476 1.00 0.00 O ATOM 1786 CB ARG B 705 -17.081 8.077 -33.297 1.00 0.00 C ATOM 1787 CG ARG B 705 -17.296 7.810 -31.796 1.00 0.00 C ATOM 1788 CD ARG B 705 -17.147 6.351 -31.360 1.00 0.00 C ATOM 1789 NE ARG B 705 -18.197 5.459 -31.873 1.00 0.00 N ATOM 1790 CZ ARG B 705 -18.467 4.251 -31.357 1.00 0.00 C ATOM 1791 NH1 ARG B 705 -17.805 3.793 -30.294 1.00 0.00 N ATOM 1792 NH2 ARG B 705 -19.412 3.496 -31.914 1.00 0.00 N ATOM 0 H ARG B 705 -14.857 9.252 -32.638 1.00 0.00 H new ATOM 0 HA ARG B 705 -16.868 9.610 -34.717 1.00 0.00 H new ATOM 0 HB2 ARG B 705 -17.995 7.821 -33.832 1.00 0.00 H new ATOM 0 HB3 ARG B 705 -16.300 7.410 -33.663 1.00 0.00 H new ATOM 0 HG2 ARG B 705 -16.586 8.414 -31.232 1.00 0.00 H new ATOM 0 HG3 ARG B 705 -18.294 8.153 -31.523 1.00 0.00 H new ATOM 0 HD2 ARG B 705 -16.177 5.981 -31.693 1.00 0.00 H new ATOM 0 HD3 ARG B 705 -17.148 6.307 -30.271 1.00 0.00 H new ATOM 0 HE ARG B 705 -18.752 5.777 -32.667 1.00 0.00 H new ATOM 0 HH11 ARG B 705 -17.080 4.364 -29.860 1.00 0.00 H new ATOM 0 HH12 ARG B 705 -18.024 2.872 -29.915 1.00 0.00 H new ATOM 0 HH21 ARG B 705 -19.924 3.838 -32.727 1.00 0.00 H new ATOM 0 HH22 ARG B 705 -19.623 2.576 -31.528 1.00 0.00 H new ATOM 1806 N THR B 706 -17.125 10.984 -31.747 1.00 0.00 N ATOM 1807 CA THR B 706 -17.677 12.112 -31.012 1.00 0.00 C ATOM 1808 C THR B 706 -17.403 13.384 -31.824 1.00 0.00 C ATOM 1809 O THR B 706 -18.257 14.264 -31.962 1.00 0.00 O ATOM 1810 CB THR B 706 -17.019 12.136 -29.623 1.00 0.00 C ATOM 1811 OG1 THR B 706 -15.615 12.194 -29.767 1.00 0.00 O ATOM 1812 CG2 THR B 706 -17.342 10.859 -28.853 1.00 0.00 C ATOM 0 H THR B 706 -16.356 10.526 -31.257 1.00 0.00 H new ATOM 0 HA THR B 706 -18.755 12.036 -30.869 1.00 0.00 H new ATOM 0 HB THR B 706 -17.398 13.006 -29.086 1.00 0.00 H new ATOM 0 HG1 THR B 706 -15.258 11.286 -29.861 1.00 0.00 H new ATOM 0 HG21 THR B 706 -16.867 10.895 -27.873 1.00 0.00 H new ATOM 0 HG22 THR B 706 -18.422 10.771 -28.730 1.00 0.00 H new ATOM 0 HG23 THR B 706 -16.968 9.997 -29.405 1.00 0.00 H new ATOM 1820 N GLY B 707 -16.210 13.425 -32.424 1.00 0.00 N ATOM 1821 CA GLY B 707 -15.793 14.397 -33.409 1.00 0.00 C ATOM 1822 C GLY B 707 -14.818 15.357 -32.761 1.00 0.00 C ATOM 1823 O GLY B 707 -13.621 15.300 -33.032 1.00 0.00 O ATOM 0 H GLY B 707 -15.481 12.742 -32.218 1.00 0.00 H new ATOM 0 HA2 GLY B 707 -15.325 13.898 -34.257 1.00 0.00 H new ATOM 0 HA3 GLY B 707 -16.657 14.939 -33.795 1.00 0.00 H new ATOM 1827 N SER B 708 -15.325 16.157 -31.825 1.00 0.00 N ATOM 1828 CA SER B 708 -14.552 17.150 -31.089 1.00 0.00 C ATOM 1829 C SER B 708 -13.904 16.530 -29.840 1.00 0.00 C ATOM 1830 O SER B 708 -13.509 17.267 -28.935 1.00 0.00 O ATOM 1831 CB SER B 708 -15.467 18.332 -30.724 1.00 0.00 C ATOM 1832 OG SER B 708 -16.206 18.777 -31.855 1.00 0.00 O ATOM 0 H SER B 708 -16.308 16.131 -31.553 1.00 0.00 H new ATOM 0 HA SER B 708 -13.740 17.515 -31.718 1.00 0.00 H new ATOM 0 HB2 SER B 708 -16.154 18.033 -29.932 1.00 0.00 H new ATOM 0 HB3 SER B 708 -14.867 19.153 -30.332 1.00 0.00 H new ATOM 0 HG SER B 708 -16.781 19.527 -31.596 1.00 0.00 H new ATOM 1838 N ASP B 709 -13.863 15.189 -29.757 1.00 0.00 N ATOM 1839 CA ASP B 709 -13.389 14.384 -28.627 1.00 0.00 C ATOM 1840 C ASP B 709 -14.072 14.715 -27.284 1.00 0.00 C ATOM 1841 O ASP B 709 -13.628 14.278 -26.220 1.00 0.00 O ATOM 1842 CB ASP B 709 -11.849 14.348 -28.565 1.00 0.00 C ATOM 1843 CG ASP B 709 -11.151 15.642 -28.054 1.00 0.00 C ATOM 1844 OD1 ASP B 709 -11.415 16.128 -26.922 1.00 0.00 O ATOM 1845 OD2 ASP B 709 -10.265 16.146 -28.789 1.00 0.00 O ATOM 0 H ASP B 709 -14.182 14.604 -30.530 1.00 0.00 H new ATOM 0 HA ASP B 709 -13.711 13.361 -28.821 1.00 0.00 H new ATOM 0 HB2 ASP B 709 -11.551 13.521 -27.920 1.00 0.00 H new ATOM 0 HB3 ASP B 709 -11.471 14.126 -29.563 1.00 0.00 H new ATOM 1850 N PHE B 710 -15.229 15.390 -27.352 1.00 0.00 N ATOM 1851 CA PHE B 710 -15.979 16.026 -26.279 1.00 0.00 C ATOM 1852 C PHE B 710 -15.134 17.055 -25.514 1.00 0.00 C ATOM 1853 O PHE B 710 -15.398 18.256 -25.619 1.00 0.00 O ATOM 1854 CB PHE B 710 -16.592 14.989 -25.334 1.00 0.00 C ATOM 1855 CG PHE B 710 -17.653 14.070 -25.906 1.00 0.00 C ATOM 1856 CD1 PHE B 710 -18.779 14.591 -26.569 1.00 0.00 C ATOM 1857 CD2 PHE B 710 -17.559 12.685 -25.681 1.00 0.00 C ATOM 1858 CE1 PHE B 710 -19.806 13.733 -26.998 1.00 0.00 C ATOM 1859 CE2 PHE B 710 -18.594 11.829 -26.093 1.00 0.00 C ATOM 1860 CZ PHE B 710 -19.715 12.352 -26.753 1.00 0.00 C ATOM 0 H PHE B 710 -15.701 15.511 -28.248 1.00 0.00 H new ATOM 0 HA PHE B 710 -16.799 16.573 -26.745 1.00 0.00 H new ATOM 0 HB2 PHE B 710 -15.785 14.370 -24.943 1.00 0.00 H new ATOM 0 HB3 PHE B 710 -17.026 15.520 -24.487 1.00 0.00 H new ATOM 0 HD1 PHE B 710 -18.854 15.653 -26.749 1.00 0.00 H new ATOM 0 HD2 PHE B 710 -16.688 12.278 -25.190 1.00 0.00 H new ATOM 0 HE1 PHE B 710 -20.665 14.135 -27.516 1.00 0.00 H new ATOM 0 HE2 PHE B 710 -18.526 10.768 -25.901 1.00 0.00 H new ATOM 0 HZ PHE B 710 -20.509 11.693 -27.073 1.00 0.00 H new