USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 858 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 21 GLN :FLIP amide:sc= -0.29 X(o=-1.5,f=-1.3) USER MOD Set 1.2: B 21 GLN : amide:sc= -1 X(o=-1.3,f=-1.5) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.43) USER MOD Single : A 24 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 155:sc= -2.24! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=-0.49) USER MOD Single : B 24 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : B 26 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 GLN : amide:sc= -0.0787 X(o=-0.079,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 TYR OH : rot 165:sc= -2.34! USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -20.134 11.019 6.198 1.00 0.00 N ATOM 2 CA SER A 12 -19.630 11.484 7.521 1.00 0.00 C ATOM 3 C SER A 12 -18.227 12.078 7.372 1.00 0.00 C ATOM 4 O SER A 12 -17.411 12.003 8.269 1.00 0.00 O ATOM 5 CB SER A 12 -19.592 10.229 8.392 1.00 0.00 C ATOM 6 OG SER A 12 -20.793 10.145 9.146 1.00 0.00 O ATOM 0 HA SER A 12 -20.259 12.262 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 12 -19.478 9.343 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.731 10.262 9.060 1.00 0.00 H new ATOM 0 HG SER A 12 -20.773 9.340 9.705 1.00 0.00 H new ATOM 14 N LEU A 13 -17.941 12.667 6.243 1.00 0.00 N ATOM 15 CA LEU A 13 -16.590 13.264 6.035 1.00 0.00 C ATOM 16 C LEU A 13 -16.303 14.323 7.102 1.00 0.00 C ATOM 17 O LEU A 13 -15.168 14.566 7.458 1.00 0.00 O ATOM 18 CB LEU A 13 -16.652 13.903 4.647 1.00 0.00 C ATOM 19 CG LEU A 13 -16.108 12.923 3.609 1.00 0.00 C ATOM 20 CD1 LEU A 13 -17.260 12.111 3.015 1.00 0.00 C ATOM 21 CD2 LEU A 13 -15.408 13.702 2.492 1.00 0.00 C ATOM 0 H LEU A 13 -18.583 12.761 5.456 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.796 12.521 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.680 14.172 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -16.070 14.824 4.633 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.398 12.248 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -16.869 11.413 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -17.761 11.556 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -17.972 12.785 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.019 13.004 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -16.120 14.377 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.585 14.281 2.912 1.00 0.00 H new ATOM 33 N ARG A 14 -17.323 14.953 7.613 1.00 0.00 N ATOM 34 CA ARG A 14 -17.105 15.998 8.656 1.00 0.00 C ATOM 35 C ARG A 14 -16.375 15.401 9.862 1.00 0.00 C ATOM 36 O ARG A 14 -15.307 15.842 10.235 1.00 0.00 O ATOM 37 CB ARG A 14 -18.508 16.462 9.050 1.00 0.00 C ATOM 38 CG ARG A 14 -18.424 17.854 9.682 1.00 0.00 C ATOM 39 CD ARG A 14 -19.834 18.432 9.833 1.00 0.00 C ATOM 40 NE ARG A 14 -19.872 19.001 11.209 1.00 0.00 N ATOM 41 CZ ARG A 14 -20.378 18.305 12.189 1.00 0.00 C ATOM 42 NH1 ARG A 14 -21.618 17.902 12.130 1.00 0.00 N ATOM 43 NH2 ARG A 14 -19.644 18.013 13.228 1.00 0.00 N ATOM 0 H ARG A 14 -18.297 14.791 7.356 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.491 16.822 8.293 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -19.154 16.487 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -18.952 15.757 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.938 17.794 10.656 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.815 18.511 9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.029 19.199 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.593 17.660 9.704 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.502 19.935 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -22.191 18.131 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -22.014 17.358 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.675 18.329 13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.039 17.469 13.995 1.00 0.00 H new ATOM 57 N GLU A 15 -16.946 14.400 10.474 1.00 0.00 N ATOM 58 CA GLU A 15 -16.284 13.775 11.656 1.00 0.00 C ATOM 59 C GLU A 15 -15.031 13.002 11.225 1.00 0.00 C ATOM 60 O GLU A 15 -14.176 12.694 12.030 1.00 0.00 O ATOM 61 CB GLU A 15 -17.329 12.818 12.233 1.00 0.00 C ATOM 62 CG GLU A 15 -16.936 12.429 13.659 1.00 0.00 C ATOM 63 CD GLU A 15 -17.850 13.145 14.653 1.00 0.00 C ATOM 64 OE1 GLU A 15 -19.054 13.091 14.465 1.00 0.00 O ATOM 65 OE2 GLU A 15 -17.333 13.736 15.584 1.00 0.00 O ATOM 0 H GLU A 15 -17.840 13.988 10.208 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.960 14.518 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.311 13.292 12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.404 11.927 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.016 11.350 13.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.896 12.697 13.847 1.00 0.00 H new ATOM 72 N CYS A 16 -14.922 12.686 9.964 1.00 0.00 N ATOM 73 CA CYS A 16 -13.727 11.930 9.485 1.00 0.00 C ATOM 74 C CYS A 16 -12.441 12.719 9.760 1.00 0.00 C ATOM 75 O CYS A 16 -11.358 12.172 9.756 1.00 0.00 O ATOM 76 CB CYS A 16 -13.938 11.764 7.980 1.00 0.00 C ATOM 77 SG CYS A 16 -13.393 10.116 7.473 1.00 0.00 S ATOM 0 H CYS A 16 -15.607 12.917 9.244 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.622 10.972 9.994 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -14.990 11.903 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.379 12.526 7.437 1.00 0.00 H new ATOM 82 N GLU A 17 -12.551 13.999 9.994 1.00 0.00 N ATOM 83 CA GLU A 17 -11.330 14.812 10.263 1.00 0.00 C ATOM 84 C GLU A 17 -10.801 14.532 11.671 1.00 0.00 C ATOM 85 O GLU A 17 -9.631 14.705 11.949 1.00 0.00 O ATOM 86 CB GLU A 17 -11.788 16.267 10.141 1.00 0.00 C ATOM 87 CG GLU A 17 -10.667 17.104 9.521 1.00 0.00 C ATOM 88 CD GLU A 17 -11.268 18.327 8.824 1.00 0.00 C ATOM 89 OE1 GLU A 17 -11.588 18.219 7.652 1.00 0.00 O ATOM 90 OE2 GLU A 17 -11.397 19.350 9.476 1.00 0.00 O ATOM 0 H GLU A 17 -13.430 14.515 10.011 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.521 14.579 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.685 16.327 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.050 16.661 11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.966 17.420 10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.104 16.504 8.805 1.00 0.00 H new ATOM 97 N LEU A 18 -11.651 14.102 12.563 1.00 0.00 N ATOM 98 CA LEU A 18 -11.192 13.814 13.952 1.00 0.00 C ATOM 99 C LEU A 18 -10.414 12.496 13.991 1.00 0.00 C ATOM 100 O LEU A 18 -9.286 12.441 14.437 1.00 0.00 O ATOM 101 CB LEU A 18 -12.475 13.706 14.778 1.00 0.00 C ATOM 102 CG LEU A 18 -12.248 14.323 16.159 1.00 0.00 C ATOM 103 CD1 LEU A 18 -13.580 14.817 16.724 1.00 0.00 C ATOM 104 CD2 LEU A 18 -11.656 13.269 17.097 1.00 0.00 C ATOM 0 H LEU A 18 -12.643 13.938 12.390 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.524 14.586 14.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.292 14.218 14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.768 12.661 14.879 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.558 15.162 16.072 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.417 15.256 17.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.002 15.568 16.056 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.272 13.979 16.811 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.494 13.708 18.081 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.346 12.430 17.183 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.706 12.917 16.696 1.00 0.00 H new ATOM 116 N TYR A 19 -11.010 11.430 13.528 1.00 0.00 N ATOM 117 CA TYR A 19 -10.307 10.114 13.539 1.00 0.00 C ATOM 118 C TYR A 19 -9.539 9.903 12.232 1.00 0.00 C ATOM 119 O TYR A 19 -9.497 8.816 11.691 1.00 0.00 O ATOM 120 CB TYR A 19 -11.420 9.081 13.660 1.00 0.00 C ATOM 121 CG TYR A 19 -10.900 7.861 14.380 1.00 0.00 C ATOM 122 CD1 TYR A 19 -10.921 7.811 15.792 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.388 6.771 13.642 1.00 0.00 C ATOM 124 CE1 TYR A 19 -10.430 6.669 16.467 1.00 0.00 C ATOM 125 CE2 TYR A 19 -9.898 5.629 14.314 1.00 0.00 C ATOM 126 CZ TYR A 19 -9.919 5.578 15.729 1.00 0.00 C ATOM 127 OH TYR A 19 -9.440 4.462 16.391 1.00 0.00 O ATOM 0 H TYR A 19 -11.954 11.413 13.142 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.581 10.046 14.349 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.265 9.504 14.203 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.783 8.805 12.670 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.312 8.645 16.356 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.371 6.811 12.563 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.446 6.631 17.546 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.508 4.795 13.749 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.126 3.803 15.737 1.00 0.00 H new ATOM 137 N VAL A 20 -8.932 10.934 11.722 1.00 0.00 N ATOM 138 CA VAL A 20 -8.168 10.804 10.459 1.00 0.00 C ATOM 139 C VAL A 20 -6.832 10.083 10.742 1.00 0.00 C ATOM 140 O VAL A 20 -6.829 9.004 11.299 1.00 0.00 O ATOM 141 CB VAL A 20 -8.006 12.257 9.981 1.00 0.00 C ATOM 142 CG1 VAL A 20 -7.117 13.040 10.952 1.00 0.00 C ATOM 143 CG2 VAL A 20 -7.410 12.289 8.568 1.00 0.00 C ATOM 0 H VAL A 20 -8.934 11.868 12.131 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.651 10.203 9.689 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.989 12.727 9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.011 14.067 10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.572 13.040 11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.134 12.571 11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.301 13.324 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.433 11.806 8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.072 11.761 7.882 1.00 0.00 H new ATOM 153 N GLN A 21 -5.705 10.639 10.375 1.00 0.00 N ATOM 154 CA GLN A 21 -4.415 9.940 10.643 1.00 0.00 C ATOM 155 C GLN A 21 -3.848 10.356 12.003 1.00 0.00 C ATOM 156 O GLN A 21 -3.440 9.529 12.793 1.00 0.00 O ATOM 157 CB GLN A 21 -3.483 10.386 9.518 1.00 0.00 C ATOM 158 CG GLN A 21 -2.951 9.157 8.778 1.00 0.00 C ATOM 159 CD GLN A 21 -2.633 9.531 7.329 1.00 0.00 C ATOM 160 OE1 GLN A 21 -3.242 8.905 6.360 1.00 0.00 O flip ATOM 161 NE2 GLN A 21 -1.825 10.401 7.077 1.00 0.00 N flip ATOM 0 H GLN A 21 -5.624 11.540 9.905 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.536 8.857 10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.017 11.037 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.654 10.965 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.055 8.781 9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.690 8.356 8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.349 10.890 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.622 10.643 6.107 1.00 0.00 H new ATOM 170 N LYS A 22 -3.814 11.631 12.277 1.00 0.00 N ATOM 171 CA LYS A 22 -3.268 12.103 13.581 1.00 0.00 C ATOM 172 C LYS A 22 -4.205 11.704 14.724 1.00 0.00 C ATOM 173 O LYS A 22 -4.775 12.543 15.394 1.00 0.00 O ATOM 174 CB LYS A 22 -3.194 13.624 13.454 1.00 0.00 C ATOM 175 CG LYS A 22 -2.306 14.188 14.564 1.00 0.00 C ATOM 176 CD LYS A 22 -2.293 15.715 14.483 1.00 0.00 C ATOM 177 CE LYS A 22 -1.089 16.260 15.253 1.00 0.00 C ATOM 178 NZ LYS A 22 -1.164 17.737 15.089 1.00 0.00 N ATOM 0 H LYS A 22 -4.142 12.368 11.653 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.295 11.665 13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.793 13.899 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.194 14.054 13.520 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.677 13.868 15.538 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.292 13.800 14.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.246 16.033 13.442 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.216 16.119 14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.132 15.977 16.305 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.154 15.866 14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.369 18.183 15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.114 17.977 14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.061 18.085 15.483 1.00 0.00 H new ATOM 192 N HIS A 23 -4.368 10.432 14.951 1.00 0.00 N ATOM 193 CA HIS A 23 -5.266 9.978 16.049 1.00 0.00 C ATOM 194 C HIS A 23 -5.096 8.477 16.300 1.00 0.00 C ATOM 195 O HIS A 23 -5.170 8.014 17.422 1.00 0.00 O ATOM 196 CB HIS A 23 -6.681 10.283 15.560 1.00 0.00 C ATOM 197 CG HIS A 23 -7.633 10.234 16.723 1.00 0.00 C ATOM 198 ND1 HIS A 23 -8.087 9.038 17.255 1.00 0.00 N ATOM 199 CD2 HIS A 23 -8.224 11.225 17.468 1.00 0.00 C ATOM 200 CE1 HIS A 23 -8.913 9.336 18.275 1.00 0.00 C ATOM 201 NE2 HIS A 23 -9.032 10.655 18.447 1.00 0.00 N ATOM 0 H HIS A 23 -3.917 9.685 14.423 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.042 10.479 16.991 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.712 11.267 15.092 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.979 9.560 14.801 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.083 12.285 17.317 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.418 8.598 18.881 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.594 11.140 19.146 1.00 0.00 H new ATOM 209 N ASN A 24 -4.873 7.707 15.267 1.00 0.00 N ATOM 210 CA ASN A 24 -4.707 6.237 15.464 1.00 0.00 C ATOM 211 C ASN A 24 -3.814 5.641 14.373 1.00 0.00 C ATOM 212 O ASN A 24 -2.952 4.826 14.641 1.00 0.00 O ATOM 213 CB ASN A 24 -6.123 5.668 15.363 1.00 0.00 C ATOM 214 CG ASN A 24 -6.150 4.259 15.957 1.00 0.00 C ATOM 215 OD1 ASN A 24 -6.027 4.089 17.154 1.00 0.00 O ATOM 216 ND2 ASN A 24 -6.304 3.232 15.167 1.00 0.00 N ATOM 0 H ASN A 24 -4.799 8.030 14.302 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.232 6.003 16.417 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.824 6.312 15.895 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.442 5.641 14.321 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.321 2.289 15.554 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.407 3.373 14.162 1.00 0.00 H new ATOM 223 N ILE A 25 -4.014 6.032 13.147 1.00 0.00 N ATOM 224 CA ILE A 25 -3.180 5.478 12.041 1.00 0.00 C ATOM 225 C ILE A 25 -1.725 5.943 12.176 1.00 0.00 C ATOM 226 O ILE A 25 -0.822 5.354 11.618 1.00 0.00 O ATOM 227 CB ILE A 25 -3.800 6.032 10.759 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.240 5.528 10.631 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.986 5.561 9.552 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.242 3.998 10.591 1.00 0.00 C ATOM 0 H ILE A 25 -4.719 6.711 12.861 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.163 4.388 12.051 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.797 7.121 10.795 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.837 5.881 11.472 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.697 5.927 9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.429 5.956 8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.960 5.919 9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.988 4.472 9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.267 3.638 10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.660 3.656 9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.801 3.609 11.509 1.00 0.00 H new ATOM 242 N GLN A 26 -1.491 6.995 12.912 1.00 0.00 N ATOM 243 CA GLN A 26 -0.096 7.492 13.076 1.00 0.00 C ATOM 244 C GLN A 26 0.786 6.412 13.711 1.00 0.00 C ATOM 245 O GLN A 26 1.985 6.385 13.518 1.00 0.00 O ATOM 246 CB GLN A 26 -0.214 8.700 14.006 1.00 0.00 C ATOM 247 CG GLN A 26 1.088 9.501 13.971 1.00 0.00 C ATOM 248 CD GLN A 26 0.773 10.993 14.098 1.00 0.00 C ATOM 249 OE1 GLN A 26 0.053 11.399 14.988 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.286 11.831 13.241 1.00 0.00 N ATOM 0 H GLN A 26 -2.204 7.531 13.406 1.00 0.00 H new ATOM 0 HA GLN A 26 0.362 7.752 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.049 9.329 13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.423 8.370 15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.743 9.186 14.783 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.621 9.309 13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.891 11.490 12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.083 12.828 13.318 1.00 0.00 H new ATOM 259 N ALA A 27 0.202 5.525 14.468 1.00 0.00 N ATOM 260 CA ALA A 27 1.010 4.451 15.116 1.00 0.00 C ATOM 261 C ALA A 27 1.593 3.509 14.058 1.00 0.00 C ATOM 262 O ALA A 27 2.663 2.959 14.227 1.00 0.00 O ATOM 263 CB ALA A 27 0.023 3.702 16.012 1.00 0.00 C ATOM 0 H ALA A 27 -0.798 5.496 14.666 1.00 0.00 H new ATOM 0 HA ALA A 27 1.852 4.853 15.679 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.541 2.892 16.527 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.396 4.390 16.747 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.781 3.289 15.402 1.00 0.00 H new ATOM 269 N LEU A 28 0.900 3.320 12.969 1.00 0.00 N ATOM 270 CA LEU A 28 1.414 2.412 11.902 1.00 0.00 C ATOM 271 C LEU A 28 2.305 3.191 10.929 1.00 0.00 C ATOM 272 O LEU A 28 3.366 2.736 10.541 1.00 0.00 O ATOM 273 CB LEU A 28 0.165 1.890 11.189 1.00 0.00 C ATOM 274 CG LEU A 28 -0.780 1.250 12.207 1.00 0.00 C ATOM 275 CD1 LEU A 28 -1.952 2.193 12.480 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.313 -0.072 11.650 1.00 0.00 C ATOM 0 H LEU A 28 -0.001 3.755 12.771 1.00 0.00 H new ATOM 0 HA LEU A 28 2.020 1.601 12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.340 2.707 10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.446 1.160 10.430 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.238 1.063 13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.625 1.736 13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.576 3.136 12.877 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.492 2.380 11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.986 -0.528 12.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.853 0.116 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.480 -0.747 11.455 1.00 0.00 H new ATOM 288 N LEU A 29 1.884 4.359 10.532 1.00 0.00 N ATOM 289 CA LEU A 29 2.707 5.163 9.582 1.00 0.00 C ATOM 290 C LEU A 29 3.962 5.696 10.278 1.00 0.00 C ATOM 291 O LEU A 29 4.922 6.077 9.638 1.00 0.00 O ATOM 292 CB LEU A 29 1.798 6.314 9.146 1.00 0.00 C ATOM 293 CG LEU A 29 0.546 5.750 8.471 1.00 0.00 C ATOM 294 CD1 LEU A 29 -0.316 6.902 7.949 1.00 0.00 C ATOM 295 CD2 LEU A 29 0.951 4.848 7.301 1.00 0.00 C ATOM 0 H LEU A 29 1.008 4.792 10.823 1.00 0.00 H new ATOM 0 HA LEU A 29 3.050 4.572 8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.518 6.917 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.330 6.971 8.458 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.022 5.168 9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.208 6.500 7.468 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.610 7.543 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.255 7.485 7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.057 4.448 6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.522 5.427 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.563 4.025 7.671 1.00 0.00 H new ATOM 307 N LYS A 30 3.970 5.722 11.583 1.00 0.00 N ATOM 308 CA LYS A 30 5.172 6.226 12.309 1.00 0.00 C ATOM 309 C LYS A 30 6.423 5.488 11.824 1.00 0.00 C ATOM 310 O LYS A 30 7.343 6.085 11.298 1.00 0.00 O ATOM 311 CB LYS A 30 4.907 5.922 13.785 1.00 0.00 C ATOM 312 CG LYS A 30 4.917 7.227 14.585 1.00 0.00 C ATOM 313 CD LYS A 30 5.122 6.915 16.068 1.00 0.00 C ATOM 314 CE LYS A 30 4.440 7.993 16.914 1.00 0.00 C ATOM 315 NZ LYS A 30 4.056 7.304 18.178 1.00 0.00 N ATOM 0 H LYS A 30 3.199 5.417 12.177 1.00 0.00 H new ATOM 0 HA LYS A 30 5.341 7.290 12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.945 5.422 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.667 5.242 14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.713 7.880 14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.978 7.761 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.708 5.935 16.305 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.187 6.876 16.299 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.114 8.828 17.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.566 8.400 16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.582 7.979 18.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.409 6.519 17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.908 6.933 18.644 1.00 0.00 H new ATOM 329 N ASP A 31 6.457 4.195 11.989 1.00 0.00 N ATOM 330 CA ASP A 31 7.644 3.420 11.530 1.00 0.00 C ATOM 331 C ASP A 31 7.672 3.363 10.000 1.00 0.00 C ATOM 332 O ASP A 31 8.717 3.241 9.392 1.00 0.00 O ATOM 333 CB ASP A 31 7.455 2.021 12.119 1.00 0.00 C ATOM 334 CG ASP A 31 8.396 1.836 13.309 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.228 2.545 14.288 1.00 0.00 O ATOM 336 OD2 ASP A 31 9.269 0.989 13.222 1.00 0.00 O ATOM 0 H ASP A 31 5.716 3.642 12.421 1.00 0.00 H new ATOM 0 HA ASP A 31 8.584 3.870 11.849 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.421 1.885 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.658 1.265 11.360 1.00 0.00 H new ATOM 341 N SER A 32 6.530 3.453 9.373 1.00 0.00 N ATOM 342 CA SER A 32 6.491 3.405 7.884 1.00 0.00 C ATOM 343 C SER A 32 7.257 4.594 7.296 1.00 0.00 C ATOM 344 O SER A 32 8.198 4.428 6.547 1.00 0.00 O ATOM 345 CB SER A 32 5.008 3.493 7.525 1.00 0.00 C ATOM 346 OG SER A 32 4.779 2.802 6.304 1.00 0.00 O ATOM 0 H SER A 32 5.623 3.558 9.828 1.00 0.00 H new ATOM 0 HA SER A 32 6.954 2.502 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.403 3.059 8.321 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.707 4.536 7.428 1.00 0.00 H new ATOM 0 HG SER A 32 3.828 2.855 6.071 1.00 0.00 H new ATOM 352 N ILE A 33 6.861 5.791 7.631 1.00 0.00 N ATOM 353 CA ILE A 33 7.568 6.989 7.091 1.00 0.00 C ATOM 354 C ILE A 33 9.071 6.885 7.363 1.00 0.00 C ATOM 355 O ILE A 33 9.888 7.202 6.520 1.00 0.00 O ATOM 356 CB ILE A 33 6.967 8.177 7.845 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.484 8.307 7.489 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.699 9.460 7.448 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.705 8.796 8.712 1.00 0.00 C ATOM 0 H ILE A 33 6.079 5.992 8.255 1.00 0.00 H new ATOM 0 HA ILE A 33 7.448 7.088 6.012 1.00 0.00 H new ATOM 0 HB ILE A 33 7.073 8.017 8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.358 9.005 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.093 7.345 7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.270 10.305 7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.756 9.369 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.594 9.622 6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.649 8.888 8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.821 8.081 9.527 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.089 9.767 9.024 1.00 0.00 H new ATOM 371 N VAL A 34 9.442 6.448 8.535 1.00 0.00 N ATOM 372 CA VAL A 34 10.894 6.329 8.860 1.00 0.00 C ATOM 373 C VAL A 34 11.546 5.239 8.004 1.00 0.00 C ATOM 374 O VAL A 34 12.746 5.231 7.804 1.00 0.00 O ATOM 375 CB VAL A 34 10.937 5.947 10.339 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.392 5.748 10.771 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.308 7.067 11.173 1.00 0.00 C ATOM 0 H VAL A 34 8.805 6.168 9.281 1.00 0.00 H new ATOM 0 HA VAL A 34 11.437 7.252 8.660 1.00 0.00 H new ATOM 0 HB VAL A 34 10.381 5.022 10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.424 5.475 11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.842 4.953 10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.947 6.674 10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.338 6.796 12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.865 7.991 11.020 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.273 7.212 10.865 1.00 0.00 H new ATOM 387 N GLN A 35 10.772 4.321 7.497 1.00 0.00 N ATOM 388 CA GLN A 35 11.356 3.235 6.655 1.00 0.00 C ATOM 389 C GLN A 35 11.162 3.554 5.171 1.00 0.00 C ATOM 390 O GLN A 35 12.057 3.373 4.368 1.00 0.00 O ATOM 391 CB GLN A 35 10.581 1.974 7.039 1.00 0.00 C ATOM 392 CG GLN A 35 11.118 1.431 8.365 1.00 0.00 C ATOM 393 CD GLN A 35 12.255 0.445 8.091 1.00 0.00 C ATOM 394 OE1 GLN A 35 13.384 0.677 8.479 1.00 0.00 O ATOM 395 NE2 GLN A 35 12.004 -0.655 7.435 1.00 0.00 N ATOM 0 H GLN A 35 9.762 4.274 7.628 1.00 0.00 H new ATOM 0 HA GLN A 35 12.428 3.119 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.519 2.200 7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.681 1.220 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.476 2.251 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.319 0.937 8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.057 -0.850 7.109 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.755 -1.320 7.248 1.00 0.00 H new ATOM 404 N LEU A 36 10.005 4.026 4.799 1.00 0.00 N ATOM 405 CA LEU A 36 9.761 4.354 3.364 1.00 0.00 C ATOM 406 C LEU A 36 10.649 5.526 2.925 1.00 0.00 C ATOM 407 O LEU A 36 10.783 5.804 1.749 1.00 0.00 O ATOM 408 CB LEU A 36 8.283 4.743 3.292 1.00 0.00 C ATOM 409 CG LEU A 36 7.432 3.502 3.008 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.796 2.935 1.635 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.693 2.441 4.081 1.00 0.00 C ATOM 0 H LEU A 36 9.218 4.199 5.424 1.00 0.00 H new ATOM 0 HA LEU A 36 9.995 3.518 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.972 5.201 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.131 5.486 2.509 1.00 0.00 H new ATOM 0 HG LEU A 36 6.378 3.779 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.190 2.052 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.607 3.687 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.851 2.662 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.086 1.559 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.748 2.166 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.431 2.842 5.060 1.00 0.00 H new ATOM 423 N CYS A 37 11.258 6.216 3.856 1.00 0.00 N ATOM 424 CA CYS A 37 12.135 7.365 3.481 1.00 0.00 C ATOM 425 C CYS A 37 13.152 6.928 2.423 1.00 0.00 C ATOM 426 O CYS A 37 13.429 7.643 1.481 1.00 0.00 O ATOM 427 CB CYS A 37 12.843 7.761 4.776 1.00 0.00 C ATOM 428 SG CYS A 37 13.419 9.473 4.649 1.00 0.00 S ATOM 0 H CYS A 37 11.186 6.034 4.857 1.00 0.00 H new ATOM 0 HA CYS A 37 11.571 8.195 3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.163 7.656 5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.686 7.095 4.961 1.00 0.00 H new ATOM 433 N THR A 38 13.705 5.755 2.568 1.00 0.00 N ATOM 434 CA THR A 38 14.696 5.270 1.568 1.00 0.00 C ATOM 435 C THR A 38 14.055 5.212 0.175 1.00 0.00 C ATOM 436 O THR A 38 14.734 5.171 -0.830 1.00 0.00 O ATOM 437 CB THR A 38 15.086 3.867 2.044 1.00 0.00 C ATOM 438 OG1 THR A 38 15.768 3.966 3.287 1.00 0.00 O ATOM 439 CG2 THR A 38 15.997 3.205 1.010 1.00 0.00 C ATOM 0 H THR A 38 13.513 5.112 3.336 1.00 0.00 H new ATOM 0 HA THR A 38 15.563 5.927 1.490 1.00 0.00 H new ATOM 0 HB THR A 38 14.187 3.262 2.167 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.018 3.070 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.272 2.207 1.353 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.472 3.130 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.898 3.805 0.881 1.00 0.00 H new ATOM 447 N ALA A 39 12.749 5.212 0.112 1.00 0.00 N ATOM 448 CA ALA A 39 12.064 5.160 -1.212 1.00 0.00 C ATOM 449 C ALA A 39 12.537 3.946 -2.012 1.00 0.00 C ATOM 450 O ALA A 39 13.151 3.040 -1.484 1.00 0.00 O ATOM 451 CB ALA A 39 12.460 6.456 -1.920 1.00 0.00 C ATOM 0 H ALA A 39 12.128 5.246 0.920 1.00 0.00 H new ATOM 0 HA ALA A 39 10.983 5.067 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.993 6.490 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.126 7.310 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.544 6.493 -2.031 1.00 0.00 H new ATOM 457 N ARG A 40 12.254 3.920 -3.285 1.00 0.00 N ATOM 458 CA ARG A 40 12.683 2.763 -4.124 1.00 0.00 C ATOM 459 C ARG A 40 12.228 1.442 -3.491 1.00 0.00 C ATOM 460 O ARG A 40 13.016 0.531 -3.336 1.00 0.00 O ATOM 461 CB ARG A 40 14.211 2.844 -4.156 1.00 0.00 C ATOM 462 CG ARG A 40 14.671 3.332 -5.531 1.00 0.00 C ATOM 463 CD ARG A 40 16.074 2.794 -5.819 1.00 0.00 C ATOM 464 NE ARG A 40 16.440 3.362 -7.146 1.00 0.00 N ATOM 465 CZ ARG A 40 16.698 4.636 -7.261 1.00 0.00 C ATOM 466 NH1 ARG A 40 17.695 5.162 -6.605 1.00 0.00 N ATOM 467 NH2 ARG A 40 15.960 5.385 -8.034 1.00 0.00 N ATOM 0 H ARG A 40 11.744 4.650 -3.782 1.00 0.00 H new ATOM 0 HA ARG A 40 12.249 2.797 -5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.565 3.523 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.642 1.865 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.976 2.995 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.675 4.422 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.781 3.103 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.082 1.704 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 40 16.489 2.756 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.274 4.577 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.896 6.158 -6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.181 4.975 -8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.162 6.381 -8.123 1.00 0.00 H new ATOM 481 N PRO A 41 10.964 1.375 -3.144 1.00 0.00 N ATOM 482 CA PRO A 41 10.420 0.141 -2.524 1.00 0.00 C ATOM 483 C PRO A 41 10.274 -0.964 -3.576 1.00 0.00 C ATOM 484 O PRO A 41 9.609 -0.796 -4.579 1.00 0.00 O ATOM 485 CB PRO A 41 9.055 0.574 -1.994 1.00 0.00 C ATOM 486 CG PRO A 41 8.664 1.747 -2.836 1.00 0.00 C ATOM 487 CD PRO A 41 9.937 2.416 -3.289 1.00 0.00 C ATOM 0 HA PRO A 41 11.062 -0.266 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.326 -0.232 -2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.110 0.846 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.073 1.425 -3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.047 2.441 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.861 2.759 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.167 3.289 -2.679 1.00 0.00 H new ATOM 495 N GLU A 42 10.893 -2.092 -3.353 1.00 0.00 N ATOM 496 CA GLU A 42 10.793 -3.209 -4.339 1.00 0.00 C ATOM 497 C GLU A 42 9.326 -3.502 -4.667 1.00 0.00 C ATOM 498 O GLU A 42 8.990 -3.867 -5.777 1.00 0.00 O ATOM 499 CB GLU A 42 11.437 -4.407 -3.641 1.00 0.00 C ATOM 500 CG GLU A 42 11.422 -5.615 -4.580 1.00 0.00 C ATOM 501 CD GLU A 42 12.663 -6.472 -4.327 1.00 0.00 C ATOM 502 OE1 GLU A 42 13.746 -5.912 -4.280 1.00 0.00 O ATOM 503 OE2 GLU A 42 12.509 -7.673 -4.185 1.00 0.00 O ATOM 0 H GLU A 42 11.464 -2.289 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 42 11.284 -2.972 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.461 -4.168 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.897 -4.640 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.520 -6.205 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.402 -5.282 -5.618 1.00 0.00 H new ATOM 510 N ARG A 43 8.454 -3.350 -3.711 1.00 0.00 N ATOM 511 CA ARG A 43 7.010 -3.623 -3.967 1.00 0.00 C ATOM 512 C ARG A 43 6.162 -3.127 -2.790 1.00 0.00 C ATOM 513 O ARG A 43 6.054 -3.798 -1.784 1.00 0.00 O ATOM 514 CB ARG A 43 6.911 -5.145 -4.102 1.00 0.00 C ATOM 515 CG ARG A 43 7.457 -5.814 -2.838 1.00 0.00 C ATOM 516 CD ARG A 43 8.149 -7.125 -3.214 1.00 0.00 C ATOM 517 NE ARG A 43 9.263 -7.266 -2.234 1.00 0.00 N ATOM 518 CZ ARG A 43 9.530 -8.434 -1.717 1.00 0.00 C ATOM 519 NH1 ARG A 43 8.647 -9.039 -0.971 1.00 0.00 N ATOM 520 NH2 ARG A 43 10.685 -9.000 -1.948 1.00 0.00 N ATOM 0 H ARG A 43 8.677 -3.048 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 43 6.643 -3.113 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.873 -5.439 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.474 -5.479 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.161 -5.149 -2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.646 -6.007 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.460 -7.967 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.524 -7.094 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 43 9.816 -6.451 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.745 -8.599 -0.790 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.859 -9.952 -0.568 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.376 -8.529 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.895 -9.913 -1.545 1.00 0.00 H new ATOM 534 N PRO A 44 5.587 -1.959 -2.951 1.00 0.00 N ATOM 535 CA PRO A 44 4.747 -1.372 -1.875 1.00 0.00 C ATOM 536 C PRO A 44 3.427 -2.137 -1.748 1.00 0.00 C ATOM 537 O PRO A 44 2.883 -2.281 -0.668 1.00 0.00 O ATOM 538 CB PRO A 44 4.504 0.057 -2.347 1.00 0.00 C ATOM 539 CG PRO A 44 4.660 0.006 -3.833 1.00 0.00 C ATOM 540 CD PRO A 44 5.659 -1.083 -4.129 1.00 0.00 C ATOM 0 HA PRO A 44 5.218 -1.416 -0.893 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.509 0.401 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.218 0.748 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.705 -0.204 -4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.008 0.965 -4.218 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.405 -1.621 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.662 -0.679 -4.265 1.00 0.00 H new ATOM 548 N MET A 45 2.906 -2.630 -2.839 1.00 0.00 N ATOM 549 CA MET A 45 1.620 -3.384 -2.784 1.00 0.00 C ATOM 550 C MET A 45 1.672 -4.443 -1.677 1.00 0.00 C ATOM 551 O MET A 45 0.853 -4.457 -0.780 1.00 0.00 O ATOM 552 CB MET A 45 1.491 -4.048 -4.155 1.00 0.00 C ATOM 553 CG MET A 45 1.254 -2.977 -5.223 1.00 0.00 C ATOM 554 SD MET A 45 -0.340 -2.172 -4.926 1.00 0.00 S ATOM 555 CE MET A 45 -0.194 -0.903 -6.207 1.00 0.00 C ATOM 0 H MET A 45 3.317 -2.543 -3.769 1.00 0.00 H new ATOM 0 HA MET A 45 0.772 -2.736 -2.563 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.396 -4.611 -4.384 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.665 -4.760 -4.150 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.056 -2.240 -5.198 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.266 -3.428 -6.215 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.087 -0.278 -6.203 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.682 -0.285 -6.009 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.089 -1.380 -7.181 1.00 0.00 H new ATOM 565 N ALA A 46 2.629 -5.327 -1.732 1.00 0.00 N ATOM 566 CA ALA A 46 2.731 -6.379 -0.682 1.00 0.00 C ATOM 567 C ALA A 46 3.612 -5.900 0.479 1.00 0.00 C ATOM 568 O ALA A 46 3.985 -6.672 1.341 1.00 0.00 O ATOM 569 CB ALA A 46 3.372 -7.577 -1.382 1.00 0.00 C ATOM 0 H ALA A 46 3.344 -5.367 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 46 1.759 -6.625 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.482 -8.397 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.739 -7.896 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.353 -7.294 -1.763 1.00 0.00 H new ATOM 575 N PHE A 47 3.944 -4.637 0.517 1.00 0.00 N ATOM 576 CA PHE A 47 4.797 -4.127 1.631 1.00 0.00 C ATOM 577 C PHE A 47 3.934 -3.842 2.862 1.00 0.00 C ATOM 578 O PHE A 47 4.293 -4.178 3.973 1.00 0.00 O ATOM 579 CB PHE A 47 5.420 -2.833 1.103 1.00 0.00 C ATOM 580 CG PHE A 47 6.248 -2.187 2.190 1.00 0.00 C ATOM 581 CD1 PHE A 47 5.630 -1.350 3.146 1.00 0.00 C ATOM 582 CD2 PHE A 47 7.640 -2.422 2.251 1.00 0.00 C ATOM 583 CE1 PHE A 47 6.405 -0.745 4.163 1.00 0.00 C ATOM 584 CE2 PHE A 47 8.415 -1.818 3.267 1.00 0.00 C ATOM 585 CZ PHE A 47 7.798 -0.979 4.221 1.00 0.00 C ATOM 0 H PHE A 47 3.663 -3.939 -0.172 1.00 0.00 H new ATOM 0 HA PHE A 47 5.558 -4.848 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.044 -3.046 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.638 -2.149 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.566 -1.172 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.112 -3.063 1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.933 -0.105 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.479 -1.998 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.391 -0.516 4.996 1.00 0.00 H new ATOM 595 N LEU A 48 2.799 -3.227 2.673 1.00 0.00 N ATOM 596 CA LEU A 48 1.918 -2.924 3.838 1.00 0.00 C ATOM 597 C LEU A 48 1.613 -4.207 4.613 1.00 0.00 C ATOM 598 O LEU A 48 1.723 -4.253 5.824 1.00 0.00 O ATOM 599 CB LEU A 48 0.639 -2.344 3.234 1.00 0.00 C ATOM 600 CG LEU A 48 -0.057 -1.457 4.269 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.385 -0.004 4.083 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.573 -1.556 4.088 1.00 0.00 C ATOM 0 H LEU A 48 2.444 -2.922 1.767 1.00 0.00 H new ATOM 0 HA LEU A 48 2.384 -2.231 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.876 -1.764 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.027 -3.149 2.923 1.00 0.00 H new ATOM 0 HG LEU A 48 0.213 -1.791 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.112 0.625 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.465 0.067 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.118 0.332 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.069 -0.925 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.842 -1.224 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.889 -2.590 4.225 1.00 0.00 H new ATOM 614 N ARG A 49 1.237 -5.254 3.928 1.00 0.00 N ATOM 615 CA ARG A 49 0.932 -6.529 4.633 1.00 0.00 C ATOM 616 C ARG A 49 2.197 -7.066 5.310 1.00 0.00 C ATOM 617 O ARG A 49 2.160 -7.545 6.425 1.00 0.00 O ATOM 618 CB ARG A 49 0.440 -7.489 3.545 1.00 0.00 C ATOM 619 CG ARG A 49 1.574 -7.794 2.564 1.00 0.00 C ATOM 620 CD ARG A 49 1.042 -8.674 1.428 1.00 0.00 C ATOM 621 NE ARG A 49 1.450 -10.058 1.795 1.00 0.00 N ATOM 622 CZ ARG A 49 1.768 -10.913 0.861 1.00 0.00 C ATOM 623 NH1 ARG A 49 0.912 -11.201 -0.081 1.00 0.00 N ATOM 624 NH2 ARG A 49 2.943 -11.481 0.869 1.00 0.00 N ATOM 0 H ARG A 49 1.129 -5.280 2.914 1.00 0.00 H new ATOM 0 HA ARG A 49 0.184 -6.402 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.082 -8.413 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.403 -7.048 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.980 -6.866 2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.389 -8.301 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.041 -8.592 1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.465 -8.379 0.468 1.00 0.00 H new ATOM 0 HE ARG A 49 1.481 -10.338 2.775 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.007 -10.758 -0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.162 -11.869 -0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.613 -11.257 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.192 -12.149 0.139 1.00 0.00 H new ATOM 638 N GLU A 50 3.315 -6.974 4.646 1.00 0.00 N ATOM 639 CA GLU A 50 4.584 -7.467 5.251 1.00 0.00 C ATOM 640 C GLU A 50 5.170 -6.410 6.195 1.00 0.00 C ATOM 641 O GLU A 50 6.218 -6.602 6.779 1.00 0.00 O ATOM 642 CB GLU A 50 5.518 -7.701 4.063 1.00 0.00 C ATOM 643 CG GLU A 50 6.203 -9.061 4.210 1.00 0.00 C ATOM 644 CD GLU A 50 6.713 -9.527 2.845 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.123 -9.139 1.851 1.00 0.00 O ATOM 646 OE2 GLU A 50 7.685 -10.264 2.816 1.00 0.00 O ATOM 0 H GLU A 50 3.405 -6.579 3.710 1.00 0.00 H new ATOM 0 HA GLU A 50 4.437 -8.371 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.954 -7.665 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.266 -6.909 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.032 -8.988 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.503 -9.791 4.617 1.00 0.00 H new ATOM 653 N TYR A 51 4.504 -5.294 6.351 1.00 0.00 N ATOM 654 CA TYR A 51 5.027 -4.231 7.256 1.00 0.00 C ATOM 655 C TYR A 51 4.558 -4.487 8.692 1.00 0.00 C ATOM 656 O TYR A 51 5.353 -4.718 9.581 1.00 0.00 O ATOM 657 CB TYR A 51 4.435 -2.927 6.707 1.00 0.00 C ATOM 658 CG TYR A 51 4.712 -1.790 7.666 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.902 -1.038 7.547 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.777 -1.480 8.677 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.158 0.023 8.444 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.033 -0.420 9.575 1.00 0.00 C ATOM 663 CZ TYR A 51 5.224 0.333 9.458 1.00 0.00 C ATOM 664 OH TYR A 51 5.477 1.370 10.334 1.00 0.00 O ATOM 0 H TYR A 51 3.621 -5.075 5.890 1.00 0.00 H new ATOM 0 HA TYR A 51 6.116 -4.200 7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.867 -2.704 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.360 -3.038 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.615 -1.274 6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.866 -2.053 8.764 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.068 0.598 8.355 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.319 -0.185 10.351 1.00 0.00 H new ATOM 0 HH TYR A 51 4.630 1.714 10.687 1.00 0.00 H new ATOM 674 N PHE A 52 3.274 -4.441 8.926 1.00 0.00 N ATOM 675 CA PHE A 52 2.762 -4.677 10.308 1.00 0.00 C ATOM 676 C PHE A 52 2.763 -6.174 10.632 1.00 0.00 C ATOM 677 O PHE A 52 2.758 -6.567 11.781 1.00 0.00 O ATOM 678 CB PHE A 52 1.336 -4.126 10.304 1.00 0.00 C ATOM 679 CG PHE A 52 1.093 -3.346 11.574 1.00 0.00 C ATOM 680 CD1 PHE A 52 0.615 -4.006 12.729 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.344 -1.957 11.606 1.00 0.00 C ATOM 682 CE1 PHE A 52 0.387 -3.274 13.915 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.114 -1.226 12.793 1.00 0.00 C ATOM 684 CZ PHE A 52 0.635 -1.884 13.948 1.00 0.00 C ATOM 0 H PHE A 52 2.559 -4.251 8.223 1.00 0.00 H new ATOM 0 HA PHE A 52 3.382 -4.194 11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.185 -3.484 9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.619 -4.943 10.224 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.424 -5.069 12.705 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.711 -1.454 10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.022 -3.778 14.798 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.305 -0.163 12.818 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.459 -1.325 14.855 1.00 0.00 H new ATOM 694 N GLU A 53 2.773 -7.012 9.631 1.00 0.00 N ATOM 695 CA GLU A 53 2.780 -8.480 9.895 1.00 0.00 C ATOM 696 C GLU A 53 4.093 -8.885 10.577 1.00 0.00 C ATOM 697 O GLU A 53 4.101 -9.638 11.529 1.00 0.00 O ATOM 698 CB GLU A 53 2.665 -9.135 8.516 1.00 0.00 C ATOM 699 CG GLU A 53 2.800 -10.654 8.655 1.00 0.00 C ATOM 700 CD GLU A 53 2.165 -11.339 7.444 1.00 0.00 C ATOM 701 OE1 GLU A 53 2.440 -10.912 6.335 1.00 0.00 O ATOM 702 OE2 GLU A 53 1.414 -12.279 7.646 1.00 0.00 O ATOM 0 H GLU A 53 2.777 -6.746 8.646 1.00 0.00 H new ATOM 0 HA GLU A 53 1.969 -8.785 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.706 -8.885 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.440 -8.750 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.852 -10.930 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.315 -10.990 9.571 1.00 0.00 H new ATOM 709 N LYS A 54 5.199 -8.390 10.092 1.00 0.00 N ATOM 710 CA LYS A 54 6.510 -8.747 10.710 1.00 0.00 C ATOM 711 C LYS A 54 6.790 -7.847 11.917 1.00 0.00 C ATOM 712 O LYS A 54 7.561 -8.188 12.791 1.00 0.00 O ATOM 713 CB LYS A 54 7.543 -8.507 9.610 1.00 0.00 C ATOM 714 CG LYS A 54 8.728 -9.456 9.804 1.00 0.00 C ATOM 715 CD LYS A 54 8.884 -10.342 8.566 1.00 0.00 C ATOM 716 CE LYS A 54 10.369 -10.495 8.231 1.00 0.00 C ATOM 717 NZ LYS A 54 10.400 -11.323 6.993 1.00 0.00 N ATOM 0 H LYS A 54 5.253 -7.755 9.296 1.00 0.00 H new ATOM 0 HA LYS A 54 6.530 -9.775 11.071 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.091 -8.668 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.884 -7.472 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.641 -8.885 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.571 -10.074 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.439 -11.320 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.353 -9.902 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.839 -9.525 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.909 -10.980 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.387 -11.472 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.951 -12.243 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.884 -10.833 6.235 1.00 0.00 H new ATOM 731 N LEU A 55 6.167 -6.701 11.973 1.00 0.00 N ATOM 732 CA LEU A 55 6.400 -5.781 13.127 1.00 0.00 C ATOM 733 C LEU A 55 5.810 -6.382 14.405 1.00 0.00 C ATOM 734 O LEU A 55 6.396 -6.304 15.468 1.00 0.00 O ATOM 735 CB LEU A 55 5.670 -4.488 12.762 1.00 0.00 C ATOM 736 CG LEU A 55 6.642 -3.310 12.851 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.058 -2.107 12.106 1.00 0.00 C ATOM 738 CD2 LEU A 55 6.861 -2.939 14.319 1.00 0.00 C ATOM 0 H LEU A 55 5.508 -6.361 11.272 1.00 0.00 H new ATOM 0 HA LEU A 55 7.461 -5.611 13.310 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.262 -4.561 11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.828 -4.330 13.436 1.00 0.00 H new ATOM 0 HG LEU A 55 7.593 -3.591 12.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.751 -1.268 12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.900 -2.369 11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.106 -1.827 12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.554 -2.100 14.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.909 -2.659 14.769 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.277 -3.794 14.852 1.00 0.00 H new ATOM 750 N GLU A 56 4.655 -6.980 14.310 1.00 0.00 N ATOM 751 CA GLU A 56 4.026 -7.584 15.517 1.00 0.00 C ATOM 752 C GLU A 56 4.966 -8.612 16.150 1.00 0.00 C ATOM 753 O GLU A 56 5.234 -8.577 17.335 1.00 0.00 O ATOM 754 CB GLU A 56 2.756 -8.266 15.003 1.00 0.00 C ATOM 755 CG GLU A 56 1.530 -7.464 15.444 1.00 0.00 C ATOM 756 CD GLU A 56 1.388 -7.542 16.965 1.00 0.00 C ATOM 757 OE1 GLU A 56 0.784 -8.491 17.437 1.00 0.00 O ATOM 758 OE2 GLU A 56 1.887 -6.650 17.632 1.00 0.00 O ATOM 0 H GLU A 56 4.119 -7.076 13.447 1.00 0.00 H new ATOM 0 HA GLU A 56 3.810 -6.840 16.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.784 -8.338 13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.696 -9.284 15.389 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.630 -6.425 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.634 -7.857 14.964 1.00 0.00 H new ATOM 765 N LYS A 57 5.464 -9.530 15.370 1.00 0.00 N ATOM 766 CA LYS A 57 6.385 -10.563 15.927 1.00 0.00 C ATOM 767 C LYS A 57 7.838 -10.085 15.840 1.00 0.00 C ATOM 768 O LYS A 57 8.714 -10.808 15.409 1.00 0.00 O ATOM 769 CB LYS A 57 6.173 -11.796 15.049 1.00 0.00 C ATOM 770 CG LYS A 57 4.798 -12.400 15.342 1.00 0.00 C ATOM 771 CD LYS A 57 4.876 -13.923 15.233 1.00 0.00 C ATOM 772 CE LYS A 57 3.531 -14.534 15.632 1.00 0.00 C ATOM 773 NZ LYS A 57 3.825 -15.969 15.907 1.00 0.00 N ATOM 0 H LYS A 57 5.274 -9.611 14.371 1.00 0.00 H new ATOM 0 HA LYS A 57 6.184 -10.770 16.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.245 -11.523 13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.954 -12.532 15.242 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.468 -12.113 16.340 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.061 -12.012 14.639 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.131 -14.212 14.213 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.667 -14.304 15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.119 -14.040 16.512 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.797 -14.428 14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.949 -16.455 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.210 -16.415 15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.521 -16.039 16.676 1.00 0.00 H new ATOM 787 N GLU A 58 8.101 -8.874 16.251 1.00 0.00 N ATOM 788 CA GLU A 58 9.498 -8.355 16.194 1.00 0.00 C ATOM 789 C GLU A 58 10.261 -8.761 17.458 1.00 0.00 C ATOM 790 O GLU A 58 10.845 -7.937 18.133 1.00 0.00 O ATOM 791 CB GLU A 58 9.354 -6.834 16.119 1.00 0.00 C ATOM 792 CG GLU A 58 10.726 -6.203 15.880 1.00 0.00 C ATOM 793 CD GLU A 58 10.569 -4.949 15.019 1.00 0.00 C ATOM 794 OE1 GLU A 58 10.118 -5.080 13.893 1.00 0.00 O ATOM 795 OE2 GLU A 58 10.903 -3.877 15.500 1.00 0.00 O ATOM 0 H GLU A 58 7.410 -8.222 16.623 1.00 0.00 H new ATOM 0 HA GLU A 58 10.053 -8.753 15.344 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.672 -6.562 15.314 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.923 -6.453 17.045 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.191 -5.947 16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.385 -6.917 15.385 1.00 0.00 H new ATOM 802 N GLU A 59 10.258 -10.025 17.783 1.00 0.00 N ATOM 803 CA GLU A 59 10.983 -10.482 19.005 1.00 0.00 C ATOM 804 C GLU A 59 12.059 -11.506 18.632 1.00 0.00 C ATOM 805 O GLU A 59 12.015 -12.113 17.581 1.00 0.00 O ATOM 806 CB GLU A 59 9.909 -11.128 19.882 1.00 0.00 C ATOM 807 CG GLU A 59 8.826 -10.099 20.206 1.00 0.00 C ATOM 808 CD GLU A 59 7.804 -10.717 21.161 1.00 0.00 C ATOM 809 OE1 GLU A 59 7.299 -11.783 20.847 1.00 0.00 O ATOM 810 OE2 GLU A 59 7.541 -10.115 22.190 1.00 0.00 O ATOM 0 H GLU A 59 9.786 -10.761 17.257 1.00 0.00 H new ATOM 0 HA GLU A 59 11.490 -9.663 19.515 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.470 -11.983 19.367 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.355 -11.504 20.803 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.274 -9.214 20.659 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.333 -9.774 19.290 1.00 0.00 H new ATOM 817 N ALA A 60 13.024 -11.701 19.489 1.00 0.00 N ATOM 818 CA ALA A 60 14.104 -12.685 19.187 1.00 0.00 C ATOM 819 C ALA A 60 14.870 -13.035 20.465 1.00 0.00 C ATOM 820 O ALA A 60 16.083 -12.964 20.513 1.00 0.00 O ATOM 821 CB ALA A 60 15.021 -11.975 18.189 1.00 0.00 C ATOM 0 H ALA A 60 13.112 -11.222 20.385 1.00 0.00 H new ATOM 0 HA ALA A 60 13.712 -13.619 18.785 1.00 0.00 H new ATOM 0 HB1 ALA A 60 15.844 -12.636 17.917 1.00 0.00 H new ATOM 0 HB2 ALA A 60 14.454 -11.714 17.295 1.00 0.00 H new ATOM 0 HB3 ALA A 60 15.420 -11.068 18.643 1.00 0.00 H new ATOM 827 N LYS A 61 14.172 -13.414 21.502 1.00 0.00 N ATOM 828 CA LYS A 61 14.862 -13.769 22.775 1.00 0.00 C ATOM 829 C LYS A 61 14.756 -15.274 23.033 1.00 0.00 C ATOM 830 O LYS A 61 14.210 -15.963 22.186 1.00 0.00 O ATOM 831 CB LYS A 61 14.119 -12.987 23.858 1.00 0.00 C ATOM 832 CG LYS A 61 14.973 -12.932 25.126 1.00 0.00 C ATOM 833 CD LYS A 61 14.070 -13.054 26.355 1.00 0.00 C ATOM 834 CE LYS A 61 14.452 -11.980 27.377 1.00 0.00 C ATOM 835 NZ LYS A 61 13.775 -12.390 28.637 1.00 0.00 N ATOM 836 OXT LYS A 61 15.225 -15.710 24.070 1.00 0.00 O ATOM 0 H LYS A 61 13.155 -13.493 21.522 1.00 0.00 H new ATOM 0 HA LYS A 61 15.924 -13.525 22.751 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.903 -11.977 23.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.162 -13.462 24.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.706 -13.739 25.119 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.530 -11.996 25.162 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.025 -12.940 26.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.172 -14.045 26.797 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.533 -11.927 27.509 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.121 -10.993 27.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.990 -11.701 29.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.747 -12.425 28.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.115 -13.330 28.923 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 18.462 11.700 6.225 1.00 0.00 N ATOM 852 CA SER B 12 17.939 12.174 4.910 1.00 0.00 C ATOM 853 C SER B 12 16.517 12.716 5.072 1.00 0.00 C ATOM 854 O SER B 12 15.702 12.630 4.175 1.00 0.00 O ATOM 855 CB SER B 12 17.942 10.937 4.015 1.00 0.00 C ATOM 856 OG SER B 12 19.146 10.906 3.259 1.00 0.00 O ATOM 0 HA SER B 12 18.541 12.981 4.492 1.00 0.00 H new ATOM 0 HB2 SER B 12 17.857 10.035 4.621 1.00 0.00 H new ATOM 0 HB3 SER B 12 17.080 10.955 3.348 1.00 0.00 H new ATOM 0 HG SER B 12 19.151 10.112 2.685 1.00 0.00 H new ATOM 864 N LEU B 13 16.212 13.271 6.214 1.00 0.00 N ATOM 865 CA LEU B 13 14.842 13.816 6.436 1.00 0.00 C ATOM 866 C LEU B 13 14.517 14.887 5.392 1.00 0.00 C ATOM 867 O LEU B 13 13.372 15.099 5.042 1.00 0.00 O ATOM 868 CB LEU B 13 14.885 14.428 7.837 1.00 0.00 C ATOM 869 CG LEU B 13 14.374 13.408 8.855 1.00 0.00 C ATOM 870 CD1 LEU B 13 15.556 12.625 9.430 1.00 0.00 C ATOM 871 CD2 LEU B 13 13.649 14.139 9.986 1.00 0.00 C ATOM 0 H LEU B 13 16.852 13.370 7.002 1.00 0.00 H new ATOM 0 HA LEU B 13 14.074 13.048 6.347 1.00 0.00 H new ATOM 0 HB2 LEU B 13 15.904 14.725 8.084 1.00 0.00 H new ATOM 0 HB3 LEU B 13 14.273 15.329 7.871 1.00 0.00 H new ATOM 0 HG LEU B 13 13.686 12.719 8.366 1.00 0.00 H new ATOM 0 HD11 LEU B 13 15.192 11.898 10.156 1.00 0.00 H new ATOM 0 HD12 LEU B 13 16.075 12.105 8.624 1.00 0.00 H new ATOM 0 HD13 LEU B 13 16.245 13.313 9.920 1.00 0.00 H new ATOM 0 HD21 LEU B 13 13.284 13.413 10.713 1.00 0.00 H new ATOM 0 HD22 LEU B 13 14.338 14.827 10.475 1.00 0.00 H new ATOM 0 HD23 LEU B 13 12.807 14.698 9.577 1.00 0.00 H new ATOM 883 N ARG B 14 15.513 15.564 4.891 1.00 0.00 N ATOM 884 CA ARG B 14 15.258 16.621 3.871 1.00 0.00 C ATOM 885 C ARG B 14 14.546 16.022 2.654 1.00 0.00 C ATOM 886 O ARG B 14 13.462 16.433 2.291 1.00 0.00 O ATOM 887 CB ARG B 14 16.642 17.141 3.481 1.00 0.00 C ATOM 888 CG ARG B 14 16.512 18.542 2.880 1.00 0.00 C ATOM 889 CD ARG B 14 17.900 19.169 2.741 1.00 0.00 C ATOM 890 NE ARG B 14 17.918 19.769 1.378 1.00 0.00 N ATOM 891 CZ ARG B 14 18.446 19.110 0.383 1.00 0.00 C ATOM 892 NH1 ARG B 14 19.698 18.748 0.433 1.00 0.00 N ATOM 893 NH2 ARG B 14 17.723 18.814 -0.662 1.00 0.00 N ATOM 0 H ARG B 14 16.492 15.431 5.143 1.00 0.00 H new ATOM 0 HA ARG B 14 14.618 17.416 4.253 1.00 0.00 H new ATOM 0 HB2 ARG B 14 17.291 17.168 4.356 1.00 0.00 H new ATOM 0 HB3 ARG B 14 17.106 16.467 2.761 1.00 0.00 H new ATOM 0 HG2 ARG B 14 16.027 18.487 1.905 1.00 0.00 H new ATOM 0 HG3 ARG B 14 15.882 19.165 3.515 1.00 0.00 H new ATOM 0 HD2 ARG B 14 18.070 19.925 3.507 1.00 0.00 H new ATOM 0 HD3 ARG B 14 18.684 18.420 2.853 1.00 0.00 H new ATOM 0 HE ARG B 14 17.518 20.694 1.222 1.00 0.00 H new ATOM 0 HH11 ARG B 14 20.264 18.980 1.249 1.00 0.00 H new ATOM 0 HH12 ARG B 14 20.111 18.233 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG B 14 16.744 19.098 -0.702 1.00 0.00 H new ATOM 0 HH22 ARG B 14 18.137 18.299 -1.439 1.00 0.00 H new ATOM 907 N GLU B 15 15.150 15.055 2.021 1.00 0.00 N ATOM 908 CA GLU B 15 14.509 14.429 0.826 1.00 0.00 C ATOM 909 C GLU B 15 13.287 13.604 1.245 1.00 0.00 C ATOM 910 O GLU B 15 12.442 13.279 0.435 1.00 0.00 O ATOM 911 CB GLU B 15 15.588 13.524 0.232 1.00 0.00 C ATOM 912 CG GLU B 15 15.210 13.148 -1.201 1.00 0.00 C ATOM 913 CD GLU B 15 16.098 13.917 -2.182 1.00 0.00 C ATOM 914 OE1 GLU B 15 17.302 13.900 -1.996 1.00 0.00 O ATOM 915 OE2 GLU B 15 15.557 14.508 -3.101 1.00 0.00 O ATOM 0 H GLU B 15 16.059 14.670 2.278 1.00 0.00 H new ATOM 0 HA GLU B 15 14.156 15.172 0.111 1.00 0.00 H new ATOM 0 HB2 GLU B 15 16.551 14.034 0.243 1.00 0.00 H new ATOM 0 HB3 GLU B 15 15.697 12.625 0.838 1.00 0.00 H new ATOM 0 HG2 GLU B 15 15.330 12.075 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU B 15 14.161 13.380 -1.385 1.00 0.00 H new ATOM 922 N CYS B 16 13.189 13.257 2.500 1.00 0.00 N ATOM 923 CA CYS B 16 12.023 12.449 2.961 1.00 0.00 C ATOM 924 C CYS B 16 10.711 13.200 2.705 1.00 0.00 C ATOM 925 O CYS B 16 9.645 12.616 2.697 1.00 0.00 O ATOM 926 CB CYS B 16 12.244 12.255 4.462 1.00 0.00 C ATOM 927 SG CYS B 16 11.752 10.578 4.932 1.00 0.00 S ATOM 0 H CYS B 16 13.865 13.498 3.225 1.00 0.00 H new ATOM 0 HA CYS B 16 11.949 11.500 2.431 1.00 0.00 H new ATOM 0 HB2 CYS B 16 13.292 12.421 4.711 1.00 0.00 H new ATOM 0 HB3 CYS B 16 11.663 12.987 5.024 1.00 0.00 H new ATOM 932 N GLU B 17 10.776 14.487 2.497 1.00 0.00 N ATOM 933 CA GLU B 17 9.529 15.265 2.245 1.00 0.00 C ATOM 934 C GLU B 17 9.006 14.995 0.830 1.00 0.00 C ATOM 935 O GLU B 17 7.831 15.134 0.557 1.00 0.00 O ATOM 936 CB GLU B 17 9.936 16.730 2.397 1.00 0.00 C ATOM 937 CG GLU B 17 8.787 17.516 3.032 1.00 0.00 C ATOM 938 CD GLU B 17 9.343 18.745 3.752 1.00 0.00 C ATOM 939 OE1 GLU B 17 9.667 18.626 4.922 1.00 0.00 O ATOM 940 OE2 GLU B 17 9.433 19.786 3.121 1.00 0.00 O ATOM 0 H GLU B 17 11.637 15.033 2.491 1.00 0.00 H new ATOM 0 HA GLU B 17 8.729 14.991 2.933 1.00 0.00 H new ATOM 0 HB2 GLU B 17 10.830 16.808 3.016 1.00 0.00 H new ATOM 0 HB3 GLU B 17 10.185 17.152 1.423 1.00 0.00 H new ATOM 0 HG2 GLU B 17 8.075 17.822 2.265 1.00 0.00 H new ATOM 0 HG3 GLU B 17 8.246 16.884 3.736 1.00 0.00 H new ATOM 947 N LEU B 18 9.869 14.615 -0.072 1.00 0.00 N ATOM 948 CA LEU B 18 9.418 14.340 -1.466 1.00 0.00 C ATOM 949 C LEU B 18 8.685 12.996 -1.531 1.00 0.00 C ATOM 950 O LEU B 18 7.556 12.914 -1.975 1.00 0.00 O ATOM 951 CB LEU B 18 10.701 14.291 -2.296 1.00 0.00 C ATOM 952 CG LEU B 18 10.451 14.928 -3.664 1.00 0.00 C ATOM 953 CD1 LEU B 18 11.766 15.480 -4.218 1.00 0.00 C ATOM 954 CD2 LEU B 18 9.898 13.876 -4.625 1.00 0.00 C ATOM 0 H LEU B 18 10.866 14.483 0.096 1.00 0.00 H new ATOM 0 HA LEU B 18 8.725 15.097 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.502 14.819 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.028 13.258 -2.419 1.00 0.00 H new ATOM 0 HG LEU B 18 9.730 15.739 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.588 15.934 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.162 16.231 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU B 18 12.486 14.668 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.720 14.331 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU B 18 10.618 13.064 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU B 18 8.961 13.481 -4.232 1.00 0.00 H new ATOM 966 N TYR B 19 9.319 11.943 -1.092 1.00 0.00 N ATOM 967 CA TYR B 19 8.663 10.602 -1.128 1.00 0.00 C ATOM 968 C TYR B 19 7.903 10.343 0.174 1.00 0.00 C ATOM 969 O TYR B 19 7.901 9.244 0.695 1.00 0.00 O ATOM 970 CB TYR B 19 9.810 9.613 -1.270 1.00 0.00 C ATOM 971 CG TYR B 19 9.332 8.390 -2.013 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.353 8.371 -3.426 1.00 0.00 C ATOM 973 CD2 TYR B 19 8.861 7.267 -1.299 1.00 0.00 C ATOM 974 CE1 TYR B 19 8.902 7.227 -4.124 1.00 0.00 C ATOM 975 CE2 TYR B 19 8.410 6.123 -1.995 1.00 0.00 C ATOM 976 CZ TYR B 19 8.431 6.103 -3.409 1.00 0.00 C ATOM 977 OH TYR B 19 7.990 4.987 -4.095 1.00 0.00 O ATOM 0 H TYR B 19 10.264 11.952 -0.709 1.00 0.00 H new ATOM 0 HA TYR B 19 7.940 10.520 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR B 19 10.639 10.076 -1.806 1.00 0.00 H new ATOM 0 HB3 TYR B 19 10.184 9.330 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR B 19 9.713 9.230 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.845 7.282 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR B 19 8.918 7.212 -5.204 1.00 0.00 H new ATOM 0 HE2 TYR B 19 8.050 5.265 -1.448 1.00 0.00 H new ATOM 0 HH TYR B 19 7.701 4.303 -3.456 1.00 0.00 H new ATOM 987 N VAL B 20 7.263 11.341 0.704 1.00 0.00 N ATOM 988 CA VAL B 20 6.506 11.157 1.968 1.00 0.00 C ATOM 989 C VAL B 20 5.195 10.397 1.672 1.00 0.00 C ATOM 990 O VAL B 20 5.227 9.329 1.093 1.00 0.00 O ATOM 991 CB VAL B 20 6.295 12.595 2.474 1.00 0.00 C ATOM 992 CG1 VAL B 20 5.378 13.367 1.521 1.00 0.00 C ATOM 993 CG2 VAL B 20 5.699 12.573 3.887 1.00 0.00 C ATOM 0 H VAL B 20 7.231 12.283 0.314 1.00 0.00 H new ATOM 0 HA VAL B 20 7.011 10.557 2.725 1.00 0.00 H new ATOM 0 HB VAL B 20 7.260 13.100 2.508 1.00 0.00 H new ATOM 0 HG11 VAL B 20 5.239 14.382 1.893 1.00 0.00 H new ATOM 0 HG12 VAL B 20 5.830 13.402 0.530 1.00 0.00 H new ATOM 0 HG13 VAL B 20 4.411 12.867 1.461 1.00 0.00 H new ATOM 0 HG21 VAL B 20 5.553 13.595 4.236 1.00 0.00 H new ATOM 0 HG22 VAL B 20 4.740 12.055 3.869 1.00 0.00 H new ATOM 0 HG23 VAL B 20 6.380 12.053 4.561 1.00 0.00 H new ATOM 1003 N GLN B 21 4.052 10.906 2.049 1.00 0.00 N ATOM 1004 CA GLN B 21 2.784 10.168 1.767 1.00 0.00 C ATOM 1005 C GLN B 21 2.203 10.591 0.416 1.00 0.00 C ATOM 1006 O GLN B 21 1.823 9.766 -0.391 1.00 0.00 O ATOM 1007 CB GLN B 21 1.836 10.557 2.900 1.00 0.00 C ATOM 1008 CG GLN B 21 1.350 9.296 3.615 1.00 0.00 C ATOM 1009 CD GLN B 21 1.022 9.628 5.071 1.00 0.00 C ATOM 1010 OE1 GLN B 21 0.183 10.465 5.340 1.00 0.00 O ATOM 1011 NE2 GLN B 21 1.653 9.005 6.027 1.00 0.00 N ATOM 0 H GLN B 21 3.941 11.795 2.537 1.00 0.00 H new ATOM 0 HA GLN B 21 2.943 9.091 1.717 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.345 11.214 3.605 1.00 0.00 H new ATOM 0 HB3 GLN B 21 0.987 11.113 2.503 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.467 8.899 3.114 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.117 8.522 3.571 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.357 8.303 5.800 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.443 9.220 7.002 1.00 0.00 H new ATOM 1020 N LYS B 22 2.124 11.870 0.169 1.00 0.00 N ATOM 1021 CA LYS B 22 1.560 12.349 -1.126 1.00 0.00 C ATOM 1022 C LYS B 22 2.508 12.007 -2.278 1.00 0.00 C ATOM 1023 O LYS B 22 3.046 12.878 -2.932 1.00 0.00 O ATOM 1024 CB LYS B 22 1.434 13.863 -0.967 1.00 0.00 C ATOM 1025 CG LYS B 22 0.526 14.418 -2.065 1.00 0.00 C ATOM 1026 CD LYS B 22 0.461 15.943 -1.954 1.00 0.00 C ATOM 1027 CE LYS B 22 -0.765 16.458 -2.712 1.00 0.00 C ATOM 1028 NZ LYS B 22 -0.743 17.935 -2.518 1.00 0.00 N ATOM 0 H LYS B 22 2.426 12.605 0.808 1.00 0.00 H new ATOM 0 HA LYS B 22 0.602 11.882 -1.356 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.024 14.103 0.014 1.00 0.00 H new ATOM 0 HB3 LYS B 22 2.418 14.328 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.906 14.130 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.474 13.993 -1.974 1.00 0.00 H new ATOM 0 HD2 LYS B 22 0.406 16.240 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.368 16.387 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.714 16.198 -3.769 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.684 16.022 -2.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.554 18.362 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -0.799 18.153 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 0.140 18.323 -2.907 1.00 0.00 H new ATOM 1042 N HIS B 23 2.715 10.745 -2.528 1.00 0.00 N ATOM 1043 CA HIS B 23 3.626 10.344 -3.640 1.00 0.00 C ATOM 1044 C HIS B 23 3.509 8.843 -3.917 1.00 0.00 C ATOM 1045 O HIS B 23 3.597 8.407 -5.048 1.00 0.00 O ATOM 1046 CB HIS B 23 5.031 10.691 -3.143 1.00 0.00 C ATOM 1047 CG HIS B 23 5.983 10.697 -4.309 1.00 0.00 C ATOM 1048 ND1 HIS B 23 6.476 9.528 -4.866 1.00 0.00 N ATOM 1049 CD2 HIS B 23 6.540 11.722 -5.033 1.00 0.00 C ATOM 1050 CE1 HIS B 23 7.292 9.875 -5.878 1.00 0.00 C ATOM 1051 NE2 HIS B 23 7.366 11.201 -6.024 1.00 0.00 N ATOM 0 H HIS B 23 2.294 9.973 -2.012 1.00 0.00 H new ATOM 0 HA HIS B 23 3.383 10.853 -4.573 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.027 11.667 -2.657 1.00 0.00 H new ATOM 0 HB3 HIS B 23 5.355 9.965 -2.398 1.00 0.00 H new ATOM 0 HD2 HIS B 23 6.364 12.773 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS B 23 7.823 9.167 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS B 23 7.911 11.719 -6.713 1.00 0.00 H new ATOM 1059 N ASN B 24 3.315 8.043 -2.901 1.00 0.00 N ATOM 1060 CA ASN B 24 3.199 6.574 -3.129 1.00 0.00 C ATOM 1061 C ASN B 24 2.326 5.925 -2.051 1.00 0.00 C ATOM 1062 O ASN B 24 1.493 5.088 -2.335 1.00 0.00 O ATOM 1063 CB ASN B 24 4.633 6.051 -3.040 1.00 0.00 C ATOM 1064 CG ASN B 24 4.706 4.656 -3.664 1.00 0.00 C ATOM 1065 OD1 ASN B 24 4.589 4.506 -4.864 1.00 0.00 O ATOM 1066 ND2 ASN B 24 4.900 3.619 -2.895 1.00 0.00 N ATOM 0 H ASN B 24 3.232 8.342 -1.929 1.00 0.00 H new ATOM 0 HA ASN B 24 2.732 6.344 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.312 6.729 -3.558 1.00 0.00 H new ATOM 0 HB3 ASN B 24 4.954 6.013 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN B 24 4.953 2.685 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN B 24 4.999 3.743 -1.887 1.00 0.00 H new ATOM 1073 N ILE B 25 2.515 6.296 -0.817 1.00 0.00 N ATOM 1074 CA ILE B 25 1.701 5.692 0.280 1.00 0.00 C ATOM 1075 C ILE B 25 0.231 6.109 0.153 1.00 0.00 C ATOM 1076 O ILE B 25 -0.650 5.480 0.699 1.00 0.00 O ATOM 1077 CB ILE B 25 2.303 6.241 1.571 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.761 5.785 1.688 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.510 5.719 2.770 1.00 0.00 C ATOM 1080 CD1 ILE B 25 3.819 4.257 1.694 1.00 0.00 C ATOM 0 H ILE B 25 3.198 6.992 -0.517 1.00 0.00 H new ATOM 0 HA ILE B 25 1.721 4.603 0.250 1.00 0.00 H new ATOM 0 HB ILE B 25 2.261 7.330 1.555 1.00 0.00 H new ATOM 0 HG12 ILE B 25 4.344 6.178 0.855 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.204 6.180 2.602 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.941 6.112 3.691 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.472 6.042 2.689 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.550 4.630 2.787 1.00 0.00 H new ATOM 0 HD11 ILE B 25 4.856 3.933 1.777 1.00 0.00 H new ATOM 0 HD12 ILE B 25 3.250 3.875 2.541 1.00 0.00 H new ATOM 0 HD13 ILE B 25 3.392 3.873 0.768 1.00 0.00 H new ATOM 1092 N GLN B 26 -0.038 7.169 -0.561 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.451 7.623 -0.714 1.00 0.00 C ATOM 1094 C GLN B 26 -2.296 6.525 -1.369 1.00 0.00 C ATOM 1095 O GLN B 26 -3.493 6.451 -1.172 1.00 0.00 O ATOM 1096 CB GLN B 26 -1.376 8.852 -1.620 1.00 0.00 C ATOM 1097 CG GLN B 26 -2.706 9.607 -1.569 1.00 0.00 C ATOM 1098 CD GLN B 26 -2.442 11.111 -1.665 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -1.736 11.561 -2.547 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -2.983 11.913 -0.790 1.00 0.00 N ATOM 0 H GLN B 26 0.657 7.739 -1.044 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.916 7.850 0.245 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -0.563 9.504 -1.300 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -1.157 8.549 -2.644 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -3.350 9.287 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -3.232 9.378 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -3.575 11.536 -0.050 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -2.814 12.917 -0.846 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.683 5.674 -2.145 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.453 4.584 -2.813 1.00 0.00 C ATOM 1111 C ALA B 27 -3.001 3.600 -1.773 1.00 0.00 C ATOM 1112 O ALA B 27 -4.049 3.013 -1.955 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.443 3.889 -3.725 1.00 0.00 C ATOM 0 H ALA B 27 -0.683 5.685 -2.346 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.310 4.967 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.933 3.072 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.051 4.606 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.623 3.493 -3.125 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.300 3.415 -0.690 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.784 2.468 0.359 1.00 0.00 C ATOM 1121 C LEU B 28 -3.699 3.194 1.347 1.00 0.00 C ATOM 1122 O LEU B 28 -4.740 2.694 1.729 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.517 1.975 1.062 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.552 1.388 0.029 1.00 0.00 C ATOM 1125 CD1 LEU B 28 0.585 2.379 -0.226 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.028 0.077 0.560 1.00 0.00 C ATOM 0 H LEU B 28 -1.414 3.876 -0.484 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.363 1.646 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -1.040 2.799 1.593 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.772 1.221 1.806 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.087 1.199 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.273 1.962 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.174 3.315 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.120 2.567 0.705 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.715 -0.341 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.563 0.266 1.490 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -0.781 -0.630 0.744 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.320 4.368 1.768 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.167 5.124 2.732 1.00 0.00 C ATOM 1140 C LEU B 29 -5.439 5.628 2.048 1.00 0.00 C ATOM 1141 O LEU B 29 -6.410 5.966 2.697 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.298 6.296 3.191 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.023 5.763 3.854 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -1.203 6.932 4.399 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.398 4.826 5.007 1.00 0.00 C ATOM 0 H LEU B 29 -2.459 4.837 1.486 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.489 4.504 3.569 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.041 6.926 2.340 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.852 6.919 3.893 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.434 5.217 3.117 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.297 6.552 4.870 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.934 7.600 3.581 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.793 7.478 5.135 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.491 4.447 5.478 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.988 5.373 5.743 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.982 3.991 4.622 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.449 5.680 0.743 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.667 6.158 0.028 1.00 0.00 C ATOM 1159 C LYS B 30 -7.891 5.368 0.498 1.00 0.00 C ATOM 1160 O LYS B 30 -8.833 5.920 1.036 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.394 5.894 -1.453 1.00 0.00 C ATOM 1162 CG LYS B 30 -6.451 7.213 -2.226 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.647 6.924 -3.715 1.00 0.00 C ATOM 1164 CE LYS B 30 -6.006 8.042 -4.540 1.00 0.00 C ATOM 1165 NZ LYS B 30 -5.600 7.391 -5.816 1.00 0.00 N ATOM 0 H LYS B 30 -4.669 5.413 0.143 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.871 7.212 0.218 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.415 5.430 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -7.130 5.195 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.269 7.830 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -5.531 7.777 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.198 5.965 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.710 6.851 -3.945 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -6.710 8.855 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -5.147 8.471 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -5.151 8.094 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -4.925 6.625 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -6.439 6.998 -6.288 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.883 4.077 0.308 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.041 3.251 0.751 1.00 0.00 C ATOM 1181 C ASP B 31 -9.065 3.162 2.280 1.00 0.00 C ATOM 1182 O ASP B 31 -10.104 2.991 2.886 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.806 1.872 0.136 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.743 1.677 -1.058 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.602 2.411 -2.023 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -10.586 0.800 -0.989 1.00 0.00 O ATOM 0 H ASP B 31 -7.124 3.559 -0.135 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.996 3.675 0.440 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.768 1.777 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.982 1.096 0.880 1.00 0.00 H new ATOM 1191 N SER B 32 -7.926 3.279 2.908 1.00 0.00 N ATOM 1192 CA SER B 32 -7.884 3.203 4.396 1.00 0.00 C ATOM 1193 C SER B 32 -8.690 4.353 5.008 1.00 0.00 C ATOM 1194 O SER B 32 -9.622 4.141 5.756 1.00 0.00 O ATOM 1195 CB SER B 32 -6.406 3.335 4.758 1.00 0.00 C ATOM 1196 OG SER B 32 -6.153 2.627 5.965 1.00 0.00 O ATOM 0 H SER B 32 -7.024 3.424 2.455 1.00 0.00 H new ATOM 0 HA SER B 32 -8.315 2.276 4.774 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.786 2.939 3.954 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.141 4.386 4.877 1.00 0.00 H new ATOM 0 HG SER B 32 -5.205 2.708 6.199 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.336 5.571 4.695 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.085 6.731 5.260 1.00 0.00 C ATOM 1204 C ILE B 33 -10.583 6.583 4.986 1.00 0.00 C ATOM 1205 O ILE B 33 -11.408 6.860 5.834 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.525 7.955 4.532 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.047 8.131 4.891 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.301 9.204 4.957 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.287 8.668 3.677 1.00 0.00 C ATOM 0 H ILE B 33 -7.563 5.812 4.075 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.969 6.809 6.341 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.626 7.812 3.456 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.945 8.819 5.730 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.623 7.178 5.207 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -8.901 10.075 4.438 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.354 9.082 4.703 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.201 9.346 6.033 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.235 8.793 3.933 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.378 7.964 2.850 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.706 9.630 3.382 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.942 6.151 3.808 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.388 5.992 3.481 1.00 0.00 C ATOM 1223 C VAL B 34 -13.004 4.865 4.317 1.00 0.00 C ATOM 1224 O VAL B 34 -14.201 4.812 4.518 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.422 5.638 1.994 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.869 5.400 1.559 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.832 6.796 1.184 1.00 0.00 C ATOM 0 H VAL B 34 -10.297 5.901 3.058 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.960 6.894 3.699 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.837 4.734 1.821 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.893 5.148 0.499 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.292 4.579 2.137 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.454 6.304 1.730 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.855 6.547 0.123 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.419 7.698 1.358 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.801 6.969 1.494 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.198 3.962 4.804 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.742 2.840 5.624 1.00 0.00 C ATOM 1239 C GLN B 35 -12.558 3.135 7.115 1.00 0.00 C ATOM 1240 O GLN B 35 -13.446 2.910 7.915 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.926 1.615 5.214 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.442 1.078 3.878 1.00 0.00 C ATOM 1243 CD GLN B 35 -13.544 0.048 4.132 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -14.681 0.249 3.750 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -13.256 -1.054 4.765 1.00 0.00 N ATOM 0 H GLN B 35 -11.187 3.952 4.670 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.809 2.690 5.460 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.872 1.880 5.128 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.000 0.843 5.980 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -12.828 1.896 3.270 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -11.626 0.622 3.318 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.303 -1.224 5.086 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -13.984 -1.747 4.940 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.415 3.637 7.496 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.180 3.944 8.937 1.00 0.00 C ATOM 1256 C LEU B 36 -12.108 5.075 9.398 1.00 0.00 C ATOM 1257 O LEU B 36 -12.250 5.328 10.579 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.716 4.384 9.015 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.822 3.168 9.275 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -9.164 2.560 10.635 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -9.045 2.121 8.180 1.00 0.00 C ATOM 0 H LEU B 36 -10.635 3.848 6.874 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.383 3.087 9.580 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.423 4.870 8.085 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.589 5.117 9.811 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.778 3.483 9.270 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.526 1.695 10.818 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.001 3.302 11.417 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -10.209 2.249 10.642 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -8.408 1.257 8.368 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -10.089 1.809 8.182 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.797 2.551 7.210 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.743 5.759 8.481 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.660 6.868 8.878 1.00 0.00 C ATOM 1275 C CYS B 37 -14.659 6.377 9.932 1.00 0.00 C ATOM 1276 O CYS B 37 -14.955 7.065 10.888 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.386 7.262 7.593 1.00 0.00 C ATOM 1278 SG CYS B 37 -15.019 8.949 7.751 1.00 0.00 S ATOM 0 H CYS B 37 -12.666 5.598 7.477 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.124 7.710 9.317 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.706 7.195 6.744 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.206 6.571 7.400 1.00 0.00 H new ATOM 1283 N THR B 38 -15.173 5.190 9.761 1.00 0.00 N ATOM 1284 CA THR B 38 -16.145 4.651 10.755 1.00 0.00 C ATOM 1285 C THR B 38 -15.499 4.589 12.144 1.00 0.00 C ATOM 1286 O THR B 38 -16.176 4.506 13.150 1.00 0.00 O ATOM 1287 CB THR B 38 -16.484 3.247 10.249 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.171 3.346 9.010 1.00 0.00 O ATOM 1289 CG2 THR B 38 -17.372 2.534 11.271 1.00 0.00 C ATOM 0 H THR B 38 -14.963 4.571 8.978 1.00 0.00 H new ATOM 0 HA THR B 38 -17.034 5.274 10.850 1.00 0.00 H new ATOM 0 HB THR B 38 -15.564 2.678 10.111 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.388 2.448 8.683 1.00 0.00 H new ATOM 0 HG21 THR B 38 -17.613 1.534 10.909 1.00 0.00 H new ATOM 0 HG22 THR B 38 -16.844 2.459 12.222 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.293 3.100 11.411 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.194 4.632 12.207 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.504 4.577 13.530 1.00 0.00 C ATOM 1299 C ALA B 39 -13.937 3.332 14.307 1.00 0.00 C ATOM 1300 O ALA B 39 -14.520 2.417 13.760 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.944 5.846 14.263 1.00 0.00 C ATOM 0 H ALA B 39 -13.576 4.703 11.399 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.421 4.522 13.424 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.477 5.878 15.247 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.641 6.721 13.689 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.028 5.844 14.376 1.00 0.00 H new ATOM 1307 N ARG B 40 -13.650 3.289 15.579 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.038 2.102 16.394 1.00 0.00 C ATOM 1309 C ARG B 40 -13.537 0.810 15.734 1.00 0.00 C ATOM 1310 O ARG B 40 -14.294 -0.125 15.560 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.567 2.130 16.425 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.042 2.572 17.810 1.00 0.00 C ATOM 1313 CD ARG B 40 -17.427 1.980 18.090 1.00 0.00 C ATOM 1314 NE ARG B 40 -17.807 2.510 19.428 1.00 0.00 N ATOM 1315 CZ ARG B 40 -18.110 3.771 19.569 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -19.126 4.275 18.923 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -17.397 4.530 20.357 1.00 0.00 N ATOM 0 H ARG B 40 -13.163 4.025 16.090 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.606 2.131 17.394 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -15.944 2.814 15.664 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.964 1.142 16.191 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -15.334 2.243 18.571 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.083 3.660 17.862 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -18.146 2.280 17.328 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.398 0.890 18.090 1.00 0.00 H new ATOM 0 HE ARG B 40 -17.831 1.887 20.235 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -19.684 3.683 18.308 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -19.362 5.261 19.034 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -16.603 4.137 20.862 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -17.634 5.516 20.467 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.272 0.793 15.384 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.685 -0.407 14.741 1.00 0.00 C ATOM 1333 C PRO B 41 -11.500 -1.528 15.769 1.00 0.00 C ATOM 1334 O PRO B 41 -10.842 -1.358 16.776 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.337 0.085 14.220 1.00 0.00 C ATOM 1336 CG PRO B 41 -9.986 1.253 15.085 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.282 1.867 15.551 1.00 0.00 C ATOM 0 HA PRO B 41 -12.313 -0.820 13.952 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.580 -0.696 14.287 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.402 0.377 13.172 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.383 0.935 15.936 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.394 1.980 14.529 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.218 2.191 16.590 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.543 2.744 14.959 1.00 0.00 H new ATOM 1345 N GLU B 42 -12.080 -2.671 15.524 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.944 -3.803 16.487 1.00 0.00 C ATOM 1347 C GLU B 42 -10.467 -4.053 16.806 1.00 0.00 C ATOM 1348 O GLU B 42 -10.116 -4.428 17.908 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.545 -5.009 15.763 1.00 0.00 C ATOM 1350 CG GLU B 42 -12.488 -6.235 16.677 1.00 0.00 C ATOM 1351 CD GLU B 42 -13.700 -7.130 16.409 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -14.800 -6.607 16.371 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -13.504 -8.323 16.243 1.00 0.00 O ATOM 0 H GLU B 42 -12.643 -2.871 14.698 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.444 -3.602 17.434 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.577 -4.800 15.481 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.996 -5.204 14.841 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -11.567 -6.790 16.501 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -12.477 -5.923 17.721 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.601 -3.851 15.853 1.00 0.00 N ATOM 1361 CA ARG B 43 -8.149 -4.078 16.103 1.00 0.00 C ATOM 1362 C ARG B 43 -7.322 -3.528 14.935 1.00 0.00 C ATOM 1363 O ARG B 43 -7.191 -4.173 13.914 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.994 -5.597 16.206 1.00 0.00 C ATOM 1365 CG ARG B 43 -8.516 -6.259 14.929 1.00 0.00 C ATOM 1366 CD ARG B 43 -9.164 -7.602 15.277 1.00 0.00 C ATOM 1367 NE ARG B 43 -10.272 -7.762 14.296 1.00 0.00 N ATOM 1368 CZ ARG B 43 -10.502 -8.928 13.757 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -9.600 -9.485 12.997 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -11.635 -9.537 13.977 1.00 0.00 N ATOM 0 H ARG B 43 -9.835 -3.538 14.911 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.800 -3.574 17.005 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.946 -5.855 16.358 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -8.543 -5.970 17.071 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -9.242 -5.609 14.440 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -7.698 -6.410 14.224 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -8.446 -8.419 15.198 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -9.540 -7.605 16.300 1.00 0.00 H new ATOM 0 HE ARG B 43 -10.851 -6.961 14.045 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -8.715 -9.009 12.824 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -9.780 -10.396 12.576 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -12.341 -9.102 14.570 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -11.814 -10.448 13.555 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.786 -2.345 15.118 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.968 -1.708 14.055 1.00 0.00 C ATOM 1386 C PRO B 44 -4.622 -2.423 13.911 1.00 0.00 C ATOM 1387 O PRO B 44 -4.073 -2.524 12.831 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.775 -0.279 14.557 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.927 -0.367 16.041 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.885 -1.496 16.315 1.00 0.00 C ATOM 0 HA PRO B 44 -6.438 -1.749 13.072 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.793 0.106 14.283 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.514 0.395 14.124 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.964 -0.553 16.518 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.308 0.570 16.447 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.610 -2.043 17.216 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.901 -1.130 16.462 1.00 0.00 H new ATOM 1398 N MET B 45 -4.084 -2.921 14.993 1.00 0.00 N ATOM 1399 CA MET B 45 -2.773 -3.631 14.921 1.00 0.00 C ATOM 1400 C MET B 45 -2.789 -4.668 13.795 1.00 0.00 C ATOM 1401 O MET B 45 -1.972 -4.637 12.897 1.00 0.00 O ATOM 1402 CB MET B 45 -2.619 -4.317 16.279 1.00 0.00 C ATOM 1403 CG MET B 45 -2.414 -3.261 17.369 1.00 0.00 C ATOM 1404 SD MET B 45 -0.853 -2.394 17.084 1.00 0.00 S ATOM 1405 CE MET B 45 -1.039 -1.157 18.394 1.00 0.00 C ATOM 0 H MET B 45 -4.496 -2.867 15.924 1.00 0.00 H new ATOM 0 HA MET B 45 -1.948 -2.950 14.711 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.504 -4.913 16.499 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.771 -5.001 16.258 1.00 0.00 H new ATOM 0 HG2 MET B 45 -3.242 -2.552 17.364 1.00 0.00 H new ATOM 0 HG3 MET B 45 -2.405 -3.734 18.351 1.00 0.00 H new ATOM 0 HE1 MET B 45 -0.169 -0.500 18.400 1.00 0.00 H new ATOM 0 HE2 MET B 45 -1.938 -0.567 18.213 1.00 0.00 H new ATOM 0 HE3 MET B 45 -1.122 -1.658 19.358 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.717 -5.585 13.832 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.783 -6.618 12.760 1.00 0.00 C ATOM 1417 C ALA B 46 -4.679 -6.147 11.610 1.00 0.00 C ATOM 1418 O ALA B 46 -5.031 -6.915 10.734 1.00 0.00 O ATOM 1419 CB ALA B 46 -4.379 -7.852 13.435 1.00 0.00 C ATOM 0 H ALA B 46 -4.431 -5.663 14.556 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.803 -6.821 12.328 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.460 -8.660 12.708 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.734 -8.165 14.256 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -5.369 -7.612 13.823 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.052 -4.894 11.596 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.924 -4.391 10.494 1.00 0.00 C ATOM 1427 C PHE B 47 -5.073 -4.052 9.268 1.00 0.00 C ATOM 1428 O PHE B 47 -5.422 -4.376 8.150 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.589 -3.130 11.048 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.441 -2.492 9.976 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -6.854 -1.615 9.037 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -8.824 -2.773 9.912 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -7.651 -1.016 8.035 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -9.621 -2.176 8.909 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.035 -1.298 7.970 1.00 0.00 C ATOM 0 H PHE B 47 -4.792 -4.200 12.297 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.661 -5.131 10.181 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.203 -3.381 11.913 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -5.830 -2.427 11.389 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -5.796 -1.402 9.085 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -9.272 -3.444 10.630 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -7.203 -0.343 7.319 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -10.678 -2.391 8.860 1.00 0.00 H new ATOM 0 HZ PHE B 47 -9.644 -0.842 7.203 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.960 -3.402 9.469 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.091 -3.046 8.312 1.00 0.00 C ATOM 1447 C LEU B 48 -2.742 -4.301 7.510 1.00 0.00 C ATOM 1448 O LEU B 48 -2.847 -4.325 6.298 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.834 -2.433 8.929 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.169 -1.503 7.910 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.661 -0.070 8.124 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.350 -1.552 8.089 1.00 0.00 C ATOM 0 H LEU B 48 -3.615 -3.103 10.381 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.581 -2.356 7.625 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.092 -1.878 9.831 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.141 -3.220 9.227 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.428 -1.828 6.902 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.186 0.590 7.398 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.743 -0.034 7.995 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.405 0.256 9.132 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.823 -0.890 7.364 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.608 -1.229 9.098 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.702 -2.572 7.933 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.328 -5.349 8.174 1.00 0.00 N ATOM 1465 CA ARG B 49 -1.979 -6.598 7.442 1.00 0.00 C ATOM 1466 C ARG B 49 -3.225 -7.162 6.754 1.00 0.00 C ATOM 1467 O ARG B 49 -3.174 -7.618 5.630 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.454 -7.564 8.511 1.00 0.00 C ATOM 1469 CG ARG B 49 -2.576 -7.926 9.487 1.00 0.00 C ATOM 1470 CD ARG B 49 -2.015 -8.808 10.605 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.373 -10.198 10.209 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.662 -11.082 11.125 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -1.794 -11.360 12.060 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -3.816 -11.689 11.106 1.00 0.00 N ATOM 0 H ARG B 49 -2.218 -5.392 9.187 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.235 -6.430 6.663 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -1.067 -8.467 8.038 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -0.625 -7.106 9.051 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -3.012 -7.020 9.908 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -3.374 -8.450 8.962 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.936 -8.689 10.699 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.449 -8.547 11.570 1.00 0.00 H new ATOM 0 HE ARG B 49 -2.392 -10.459 9.223 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -0.891 -10.886 12.074 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -2.019 -12.051 12.776 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -4.494 -11.473 10.375 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -4.041 -12.380 11.822 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.346 -7.123 7.422 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.599 -7.647 6.807 1.00 0.00 C ATOM 1490 C GLU B 50 -6.223 -6.592 5.884 1.00 0.00 C ATOM 1491 O GLU B 50 -7.264 -6.806 5.298 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.525 -7.938 7.990 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.162 -9.318 7.815 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.653 -9.828 9.172 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.074 -9.439 10.173 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -8.599 -10.599 9.186 1.00 0.00 O ATOM 0 H GLU B 50 -4.448 -6.751 8.366 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.420 -8.533 6.198 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.962 -7.902 8.923 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.300 -7.174 8.055 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -7.994 -9.260 7.113 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -6.437 -10.014 7.393 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.596 -5.450 5.750 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.158 -4.389 4.868 1.00 0.00 C ATOM 1505 C TYR B 51 -5.681 -4.598 3.426 1.00 0.00 C ATOM 1506 O TYR B 51 -6.468 -4.838 2.532 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.612 -3.077 5.443 1.00 0.00 C ATOM 1508 CG TYR B 51 -5.929 -1.932 4.510 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.145 -1.224 4.642 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.007 -1.570 3.503 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.439 -0.154 3.767 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.299 -0.500 2.628 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.515 0.208 2.759 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.804 1.254 1.904 1.00 0.00 O ATOM 0 H TYR B 51 -4.720 -5.209 6.214 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.248 -4.397 4.840 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.050 -2.890 6.423 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.534 -3.153 5.585 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -7.850 -1.501 5.412 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.078 -2.112 3.402 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.368 0.387 3.868 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.593 -0.223 1.859 1.00 0.00 H new ATOM 0 HH TYR B 51 -5.988 1.530 1.437 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.399 -4.503 3.193 1.00 0.00 N ATOM 1525 CA PHE B 52 -3.880 -4.693 1.807 1.00 0.00 C ATOM 1526 C PHE B 52 -3.832 -6.181 1.453 1.00 0.00 C ATOM 1527 O PHE B 52 -3.814 -6.551 0.295 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.473 -4.095 1.823 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.257 -3.281 0.570 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -1.754 -3.900 -0.597 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.559 -1.901 0.565 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -1.553 -3.138 -1.768 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.357 -1.138 -0.608 1.00 0.00 C ATOM 1534 CZ PHE B 52 -1.855 -1.757 -1.774 1.00 0.00 C ATOM 0 H PHE B 52 -3.691 -4.303 3.899 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.516 -4.215 1.062 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.343 -3.467 2.704 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.729 -4.890 1.886 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -1.524 -4.955 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -2.944 -1.429 1.457 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.168 -3.610 -2.660 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -2.586 -0.083 -0.612 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.702 -1.175 -2.671 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.813 -7.040 2.435 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.769 -8.502 2.141 1.00 0.00 C ATOM 1546 C GLU B 53 -5.067 -8.940 1.453 1.00 0.00 C ATOM 1547 O GLU B 53 -5.051 -9.672 0.485 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.627 -9.180 3.506 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.710 -10.700 3.337 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.051 -11.384 4.535 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -3.340 -10.989 5.652 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -2.266 -12.293 4.315 1.00 0.00 O ATOM 0 H GLU B 53 -3.826 -6.795 3.425 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.950 -8.765 1.472 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.675 -8.906 3.962 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.413 -8.835 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.751 -11.011 3.255 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -3.214 -11.001 2.415 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.188 -8.493 1.947 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.485 -8.884 1.324 1.00 0.00 C ATOM 1561 C LYS B 54 -7.798 -7.969 0.134 1.00 0.00 C ATOM 1562 O LYS B 54 -8.556 -8.320 -0.747 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.526 -8.701 2.429 1.00 0.00 C ATOM 1564 CG LYS B 54 -9.677 -9.685 2.216 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.801 -10.601 3.436 1.00 0.00 C ATOM 1566 CE LYS B 54 -11.279 -10.813 3.771 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.280 -11.668 4.990 1.00 0.00 N ATOM 0 H LYS B 54 -6.263 -7.874 2.754 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.469 -9.905 0.944 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.069 -8.866 3.405 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.902 -7.678 2.422 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -10.609 -9.142 2.060 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.500 -10.279 1.319 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.322 -11.559 3.234 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -9.284 -10.160 4.288 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -11.782 -9.864 3.955 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.804 -11.298 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.261 -11.857 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.801 -12.568 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -10.779 -11.178 5.758 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.217 -6.800 0.102 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.482 -5.867 -1.033 1.00 0.00 C ATOM 1583 C LEU B 55 -6.873 -6.423 -2.323 1.00 0.00 C ATOM 1584 O LEU B 55 -7.462 -6.342 -3.384 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.798 -4.555 -0.641 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.810 -3.410 -0.706 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.267 -2.203 0.064 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -8.044 -3.017 -2.167 1.00 0.00 C ATOM 0 H LEU B 55 -6.572 -6.451 0.810 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.548 -5.730 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.387 -4.634 0.365 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.963 -4.354 -1.312 1.00 0.00 H new ATOM 0 HG LEU B 55 -8.751 -3.733 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -7.988 -1.387 0.017 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -7.100 -2.481 1.105 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -6.326 -1.881 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.765 -2.201 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -7.103 -2.695 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -8.431 -3.875 -2.717 1.00 0.00 H new ATOM 1600 N GLU B 56 -5.698 -6.981 -2.240 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.048 -7.540 -3.462 1.00 0.00 C ATOM 1602 C GLU B 56 -5.955 -8.586 -4.116 1.00 0.00 C ATOM 1603 O GLU B 56 -6.228 -8.533 -5.299 1.00 0.00 O ATOM 1604 CB GLU B 56 -3.756 -8.188 -2.963 1.00 0.00 C ATOM 1605 CG GLU B 56 -2.561 -7.333 -3.387 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.419 -7.373 -4.909 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -1.782 -8.290 -5.401 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -2.949 -6.486 -5.558 1.00 0.00 O ATOM 0 H GLU B 56 -5.158 -7.075 -1.380 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.857 -6.774 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.781 -8.285 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.660 -9.194 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.698 -6.305 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -1.650 -7.703 -2.916 1.00 0.00 H new ATOM 1615 N LYS B 57 -6.421 -9.536 -3.356 1.00 0.00 N ATOM 1616 CA LYS B 57 -7.307 -10.588 -3.932 1.00 0.00 C ATOM 1617 C LYS B 57 -8.775 -10.162 -3.835 1.00 0.00 C ATOM 1618 O LYS B 57 -9.625 -10.924 -3.419 1.00 0.00 O ATOM 1619 CB LYS B 57 -7.051 -11.829 -3.079 1.00 0.00 C ATOM 1620 CG LYS B 57 -5.657 -12.381 -3.383 1.00 0.00 C ATOM 1621 CD LYS B 57 -5.681 -13.906 -3.305 1.00 0.00 C ATOM 1622 CE LYS B 57 -4.316 -14.460 -3.715 1.00 0.00 C ATOM 1623 NZ LYS B 57 -4.558 -15.898 -4.021 1.00 0.00 N ATOM 0 H LYS B 57 -6.227 -9.631 -2.359 1.00 0.00 H new ATOM 0 HA LYS B 57 -7.101 -10.767 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.131 -11.579 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -7.807 -12.587 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -5.337 -12.063 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -4.934 -11.982 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -5.925 -14.225 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -6.457 -14.302 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -3.921 -13.933 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -3.587 -14.345 -2.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -3.665 -16.346 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -4.927 -16.376 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -5.251 -15.977 -4.792 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.078 -8.953 -4.218 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.493 -8.484 -4.150 1.00 0.00 C ATOM 1639 C GLU B 58 -11.242 -8.889 -5.421 1.00 0.00 C ATOM 1640 O GLU B 58 -11.857 -8.073 -6.079 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.402 -6.962 -4.045 1.00 0.00 C ATOM 1642 CG GLU B 58 -11.796 -6.382 -3.791 1.00 0.00 C ATOM 1643 CD GLU B 58 -11.681 -5.141 -2.904 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -11.224 -5.279 -1.781 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -12.052 -4.073 -3.363 1.00 0.00 O ATOM 0 H GLU B 58 -8.410 -8.270 -4.575 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.033 -8.918 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.728 -6.683 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.986 -6.548 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.271 -6.123 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.429 -7.128 -3.310 1.00 0.00 H new ATOM 1652 N GLU B 59 -11.195 -10.146 -5.771 1.00 0.00 N ATOM 1653 CA GLU B 59 -11.904 -10.603 -7.001 1.00 0.00 C ATOM 1654 C GLU B 59 -12.945 -11.670 -6.650 1.00 0.00 C ATOM 1655 O GLU B 59 -12.880 -12.296 -5.609 1.00 0.00 O ATOM 1656 CB GLU B 59 -10.810 -11.193 -7.891 1.00 0.00 C ATOM 1657 CG GLU B 59 -9.764 -10.120 -8.197 1.00 0.00 C ATOM 1658 CD GLU B 59 -8.721 -10.683 -9.164 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -8.180 -11.737 -8.873 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -8.481 -10.050 -10.179 1.00 0.00 O ATOM 0 H GLU B 59 -10.697 -10.875 -5.260 1.00 0.00 H new ATOM 0 HA GLU B 59 -12.439 -9.791 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -10.340 -12.042 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -11.244 -11.567 -8.818 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -10.244 -9.244 -8.633 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -9.282 -9.794 -7.275 1.00 0.00 H new ATOM 1667 N ALA B 60 -13.904 -11.882 -7.510 1.00 0.00 N ATOM 1668 CA ALA B 60 -14.948 -12.908 -7.226 1.00 0.00 C ATOM 1669 C ALA B 60 -15.704 -13.259 -8.510 1.00 0.00 C ATOM 1670 O ALA B 60 -16.917 -13.229 -8.557 1.00 0.00 O ATOM 1671 CB ALA B 60 -15.886 -12.249 -6.216 1.00 0.00 C ATOM 0 H ALA B 60 -14.010 -11.389 -8.397 1.00 0.00 H new ATOM 0 HA ALA B 60 -14.523 -13.836 -6.842 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -16.685 -12.943 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -15.327 -11.985 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -16.316 -11.348 -6.653 1.00 0.00 H new ATOM 1677 N LYS B 61 -14.994 -13.594 -9.555 1.00 0.00 N ATOM 1678 CA LYS B 61 -15.674 -13.945 -10.837 1.00 0.00 C ATOM 1679 C LYS B 61 -15.516 -15.440 -11.127 1.00 0.00 C ATOM 1680 O LYS B 61 -14.946 -16.128 -10.296 1.00 0.00 O ATOM 1681 CB LYS B 61 -14.958 -13.115 -11.902 1.00 0.00 C ATOM 1682 CG LYS B 61 -15.816 -13.063 -13.168 1.00 0.00 C ATOM 1683 CD LYS B 61 -14.912 -13.129 -14.402 1.00 0.00 C ATOM 1684 CE LYS B 61 -15.330 -12.048 -15.401 1.00 0.00 C ATOM 1685 NZ LYS B 61 -14.641 -12.410 -16.670 1.00 0.00 N ATOM 1686 OXT LYS B 61 -15.970 -15.870 -12.173 1.00 0.00 O ATOM 0 H LYS B 61 -13.975 -13.640 -9.577 1.00 0.00 H new ATOM 0 HA LYS B 61 -16.744 -13.738 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -14.776 -12.106 -11.531 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -13.985 -13.552 -12.126 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -16.521 -13.894 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -16.404 -12.145 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -13.871 -12.987 -14.111 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -14.982 -14.113 -14.865 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -16.412 -12.028 -15.531 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -15.032 -11.057 -15.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -14.879 -11.714 -17.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -13.612 -12.415 -16.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -14.950 -13.355 -16.975 1.00 0.00 H new TER 1700 LYS B 61