USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 680 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 55 SER OG : rot 180:sc= -0.375 USER MOD Set 1.2: A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 70:sc= -3.07! USER MOD Single : A 9 SER OG : rot -161:sc=-0.00404! USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 0.637 (180deg=0.108) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 32:sc= 0.419 USER MOD Single : A 20 HIS : no HD1:sc= -15.4! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.045) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 62:sc= 0.883 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc=-0.00758 (180deg=-0.247) USER MOD Single : A 57 THR OG1 : rot 3:sc= -2.54! USER MOD Single : A 58 THR OG1 : rot 178:sc= -5.37! USER MOD Single : A 59 SER OG : rot -12:sc= -1.68! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 109:sc= -2.28! USER MOD Single : A 72 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.015) USER MOD Single : A 73 TYR OH : rot 9:sc= 0.00483 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 0.472 (180deg=-0.803!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -8.16 K(o=-8.2,f=-9.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.336 -0.764 1.671 1.00 0.00 N ATOM 23 CA LYS A 2 18.096 -1.524 1.335 1.00 0.00 C ATOM 24 C LYS A 2 16.999 -1.201 2.357 1.00 0.00 C ATOM 25 O LYS A 2 17.284 -0.732 3.441 1.00 0.00 O ATOM 26 CB LYS A 2 18.405 -3.024 1.367 1.00 0.00 C ATOM 27 CG LYS A 2 18.907 -3.412 2.759 1.00 0.00 C ATOM 28 CD LYS A 2 20.407 -3.708 2.696 1.00 0.00 C ATOM 29 CE LYS A 2 20.857 -4.356 4.008 1.00 0.00 C ATOM 30 NZ LYS A 2 21.721 -5.533 3.710 1.00 0.00 N ATOM 0 HA LYS A 2 17.750 -1.241 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.511 -3.596 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.157 -3.267 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.714 -2.604 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.368 -4.287 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.622 -4.371 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.963 -2.786 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.404 -3.634 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.989 -4.667 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.027 -5.974 4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.184 -6.224 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.556 -5.224 3.172 1.00 0.00 H new ATOM 44 N PRO A 3 15.773 -1.453 1.970 1.00 0.00 N ATOM 45 CA PRO A 3 14.622 -0.628 2.376 1.00 0.00 C ATOM 46 C PRO A 3 14.203 -0.967 3.809 1.00 0.00 C ATOM 47 O PRO A 3 14.338 -2.089 4.255 1.00 0.00 O ATOM 48 CB PRO A 3 13.528 -1.020 1.380 1.00 0.00 C ATOM 49 CG PRO A 3 13.912 -2.416 0.839 1.00 0.00 C ATOM 50 CD PRO A 3 15.422 -2.589 1.095 1.00 0.00 C ATOM 0 HA PRO A 3 14.835 0.441 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.552 -1.046 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.462 -0.294 0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.342 -3.197 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.688 -2.494 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.638 -3.543 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.989 -2.565 0.164 1.00 0.00 H new ATOM 58 N LYS A 4 13.698 -0.008 4.535 1.00 0.00 N ATOM 59 CA LYS A 4 13.275 -0.282 5.937 1.00 0.00 C ATOM 60 C LYS A 4 11.795 0.066 6.100 1.00 0.00 C ATOM 61 O LYS A 4 11.449 1.110 6.615 1.00 0.00 O ATOM 62 CB LYS A 4 14.107 0.572 6.897 1.00 0.00 C ATOM 63 CG LYS A 4 15.211 -0.285 7.518 1.00 0.00 C ATOM 64 CD LYS A 4 14.992 -0.382 9.029 1.00 0.00 C ATOM 65 CE LYS A 4 15.575 -1.699 9.546 1.00 0.00 C ATOM 66 NZ LYS A 4 15.462 -1.743 11.031 1.00 0.00 N ATOM 0 H LYS A 4 13.560 0.952 4.219 1.00 0.00 H new ATOM 0 HA LYS A 4 13.428 -1.337 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.544 1.416 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.469 0.985 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.206 -1.281 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.187 0.153 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.468 0.460 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.927 -0.329 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.044 -2.542 9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.619 -1.789 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.858 -2.638 11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.988 -0.946 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.461 -1.676 11.305 1.00 0.00 H new ATOM 80 N ILE A 5 10.919 -0.803 5.665 1.00 0.00 N ATOM 81 CA ILE A 5 9.459 -0.525 5.793 1.00 0.00 C ATOM 82 C ILE A 5 8.993 -0.888 7.206 1.00 0.00 C ATOM 83 O ILE A 5 9.087 -2.022 7.631 1.00 0.00 O ATOM 84 CB ILE A 5 8.692 -1.345 4.746 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.324 -0.705 4.497 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.497 -2.783 5.234 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.106 -0.539 2.992 1.00 0.00 C ATOM 0 H ILE A 5 11.153 -1.694 5.226 1.00 0.00 H new ATOM 0 HA ILE A 5 9.266 0.534 5.622 1.00 0.00 H new ATOM 0 HB ILE A 5 9.268 -1.359 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.537 -1.327 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.268 0.264 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.952 -3.352 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.470 -3.245 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.931 -2.778 6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.132 -0.083 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.887 0.100 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.144 -1.515 2.509 1.00 0.00 H new ATOM 99 N LEU A 6 8.503 0.074 7.941 1.00 0.00 N ATOM 100 CA LEU A 6 8.044 -0.209 9.329 1.00 0.00 C ATOM 101 C LEU A 6 6.532 0.002 9.439 1.00 0.00 C ATOM 102 O LEU A 6 5.936 -0.314 10.449 1.00 0.00 O ATOM 103 CB LEU A 6 8.761 0.729 10.302 1.00 0.00 C ATOM 104 CG LEU A 6 9.758 -0.070 11.142 1.00 0.00 C ATOM 105 CD1 LEU A 6 11.113 -0.103 10.434 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.915 0.593 12.512 1.00 0.00 C ATOM 0 H LEU A 6 8.401 1.043 7.639 1.00 0.00 H new ATOM 0 HA LEU A 6 8.276 -1.245 9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.280 1.513 9.751 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.036 1.221 10.950 1.00 0.00 H new ATOM 0 HG LEU A 6 9.391 -1.088 11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.823 -0.673 11.034 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.002 -0.575 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.481 0.915 10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.625 0.024 13.112 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.282 1.611 12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.950 0.616 13.018 1.00 0.00 H new ATOM 118 N THR A 7 5.910 0.540 8.416 1.00 0.00 N ATOM 119 CA THR A 7 4.432 0.773 8.469 1.00 0.00 C ATOM 120 C THR A 7 3.743 -0.362 9.236 1.00 0.00 C ATOM 121 O THR A 7 3.493 -1.425 8.704 1.00 0.00 O ATOM 122 CB THR A 7 3.871 0.825 7.046 1.00 0.00 C ATOM 123 OG1 THR A 7 2.459 0.983 7.100 1.00 0.00 O ATOM 124 CG2 THR A 7 4.213 -0.473 6.312 1.00 0.00 C ATOM 0 H THR A 7 6.362 0.827 7.548 1.00 0.00 H new ATOM 0 HA THR A 7 4.244 1.718 8.979 1.00 0.00 H new ATOM 0 HB THR A 7 4.311 1.668 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.243 1.883 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.813 -0.434 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.296 -0.593 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.775 -1.318 6.843 1.00 0.00 H new ATOM 132 N ALA A 8 3.436 -0.138 10.485 1.00 0.00 N ATOM 133 CA ALA A 8 2.763 -1.193 11.299 1.00 0.00 C ATOM 134 C ALA A 8 1.452 -1.596 10.631 1.00 0.00 C ATOM 135 O ALA A 8 0.913 -2.653 10.888 1.00 0.00 O ATOM 136 CB ALA A 8 2.461 -0.635 12.686 1.00 0.00 C ATOM 0 H ALA A 8 3.623 0.734 10.980 1.00 0.00 H new ATOM 0 HA ALA A 8 3.415 -2.063 11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.969 -1.400 13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.392 -0.337 13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.806 0.231 12.595 1.00 0.00 H new ATOM 142 N SER A 9 0.949 -0.736 9.791 1.00 0.00 N ATOM 143 CA SER A 9 -0.340 -0.990 9.067 1.00 0.00 C ATOM 144 C SER A 9 -0.637 -2.489 8.964 1.00 0.00 C ATOM 145 O SER A 9 0.245 -3.296 8.747 1.00 0.00 O ATOM 146 CB SER A 9 -0.240 -0.414 7.657 1.00 0.00 C ATOM 147 OG SER A 9 -1.517 0.056 7.248 1.00 0.00 O ATOM 0 H SER A 9 1.386 0.158 9.566 1.00 0.00 H new ATOM 0 HA SER A 9 -1.145 -0.514 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.484 0.401 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.118 -1.177 6.965 1.00 0.00 H new ATOM 0 HG SER A 9 -1.536 0.143 6.272 1.00 0.00 H new ATOM 153 N ARG A 10 -1.880 -2.862 9.109 1.00 0.00 N ATOM 154 CA ARG A 10 -2.248 -4.302 9.012 1.00 0.00 C ATOM 155 C ARG A 10 -3.508 -4.442 8.162 1.00 0.00 C ATOM 156 O ARG A 10 -3.627 -5.324 7.334 1.00 0.00 O ATOM 157 CB ARG A 10 -2.503 -4.863 10.413 1.00 0.00 C ATOM 158 CG ARG A 10 -1.166 -5.096 11.121 1.00 0.00 C ATOM 159 CD ARG A 10 -1.375 -5.057 12.636 1.00 0.00 C ATOM 160 NE ARG A 10 -0.504 -4.005 13.232 1.00 0.00 N ATOM 161 CZ ARG A 10 0.021 -4.184 14.414 1.00 0.00 C ATOM 162 NH1 ARG A 10 1.080 -4.935 14.551 1.00 0.00 N ATOM 163 NH2 ARG A 10 -0.512 -3.612 15.458 1.00 0.00 N ATOM 0 H ARG A 10 -2.658 -2.228 9.291 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.433 -4.858 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.115 -4.169 10.988 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.059 -5.798 10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.749 -6.059 10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.447 -4.333 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.421 -4.850 12.864 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.140 -6.028 13.071 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.318 -3.145 12.716 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.497 -5.382 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.490 -5.075 15.474 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.339 -3.025 15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.102 -3.752 16.381 1.00 0.00 H new ATOM 177 N LYS A 11 -4.441 -3.564 8.359 1.00 0.00 N ATOM 178 CA LYS A 11 -5.703 -3.616 7.568 1.00 0.00 C ATOM 179 C LYS A 11 -6.153 -2.195 7.233 1.00 0.00 C ATOM 180 O LYS A 11 -5.431 -1.239 7.432 1.00 0.00 O ATOM 181 CB LYS A 11 -6.799 -4.315 8.374 1.00 0.00 C ATOM 182 CG LYS A 11 -6.341 -5.728 8.741 1.00 0.00 C ATOM 183 CD LYS A 11 -7.306 -6.329 9.765 1.00 0.00 C ATOM 184 CE LYS A 11 -8.321 -7.221 9.049 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.736 -8.577 8.850 1.00 0.00 N ATOM 0 H LYS A 11 -4.388 -2.805 9.038 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.523 -4.173 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.019 -3.747 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.720 -4.359 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.305 -6.353 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.331 -5.699 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.753 -6.910 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.821 -5.534 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.237 -7.291 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.590 -6.785 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.469 -9.298 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.371 -8.659 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.958 -8.722 9.525 1.00 0.00 H new ATOM 199 N ILE A 12 -7.344 -2.055 6.726 1.00 0.00 N ATOM 200 CA ILE A 12 -7.860 -0.706 6.369 1.00 0.00 C ATOM 201 C ILE A 12 -9.388 -0.758 6.331 1.00 0.00 C ATOM 202 O ILE A 12 -9.982 -1.125 5.335 1.00 0.00 O ATOM 203 CB ILE A 12 -7.323 -0.308 4.992 1.00 0.00 C ATOM 204 CG1 ILE A 12 -5.843 0.061 5.102 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.102 0.896 4.465 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.672 1.180 6.133 1.00 0.00 C ATOM 0 H ILE A 12 -7.988 -2.824 6.542 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.535 0.028 7.107 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.440 -1.148 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.260 -0.812 5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.465 0.384 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.718 1.177 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.158 0.638 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.987 1.733 5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.617 1.444 6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.242 2.054 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.035 0.840 7.103 1.00 0.00 H new ATOM 218 N LYS A 13 -10.031 -0.406 7.410 1.00 0.00 N ATOM 219 CA LYS A 13 -11.519 -0.448 7.437 1.00 0.00 C ATOM 220 C LYS A 13 -12.085 0.783 6.727 1.00 0.00 C ATOM 221 O LYS A 13 -12.248 1.832 7.318 1.00 0.00 O ATOM 222 CB LYS A 13 -12.003 -0.466 8.889 1.00 0.00 C ATOM 223 CG LYS A 13 -13.082 -1.538 9.055 1.00 0.00 C ATOM 224 CD LYS A 13 -14.284 -0.943 9.791 1.00 0.00 C ATOM 225 CE LYS A 13 -15.553 -1.697 9.389 1.00 0.00 C ATOM 226 NZ LYS A 13 -16.122 -2.385 10.582 1.00 0.00 N ATOM 0 H LYS A 13 -9.590 -0.091 8.274 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.862 -1.348 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.168 -0.669 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.401 0.511 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.389 -1.914 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.684 -2.386 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.134 -1.011 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.385 0.115 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.284 -1.004 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.325 -2.425 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.985 -2.898 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.425 -3.058 10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.354 -1.681 11.311 1.00 0.00 H new ATOM 240 N ILE A 14 -12.396 0.662 5.465 1.00 0.00 N ATOM 241 CA ILE A 14 -12.962 1.823 4.724 1.00 0.00 C ATOM 242 C ILE A 14 -14.466 1.599 4.529 1.00 0.00 C ATOM 243 O ILE A 14 -14.953 0.491 4.623 1.00 0.00 O ATOM 244 CB ILE A 14 -12.268 1.950 3.361 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.786 1.586 3.512 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.400 3.386 2.848 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.022 1.936 2.229 1.00 0.00 C ATOM 0 H ILE A 14 -12.282 -0.190 4.916 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.800 2.742 5.288 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.737 1.273 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.356 2.123 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.685 0.522 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.906 3.473 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.455 3.639 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.933 4.070 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.971 1.673 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.443 1.379 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.109 3.005 2.034 1.00 0.00 H new ATOM 259 N LYS A 15 -15.209 2.637 4.265 1.00 0.00 N ATOM 260 CA LYS A 15 -16.677 2.466 4.068 1.00 0.00 C ATOM 261 C LYS A 15 -16.981 2.495 2.570 1.00 0.00 C ATOM 262 O LYS A 15 -16.146 2.865 1.769 1.00 0.00 O ATOM 263 CB LYS A 15 -17.425 3.605 4.763 1.00 0.00 C ATOM 264 CG LYS A 15 -17.496 3.338 6.267 1.00 0.00 C ATOM 265 CD LYS A 15 -18.716 2.468 6.575 1.00 0.00 C ATOM 266 CE LYS A 15 -19.700 3.256 7.441 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.756 2.653 8.803 1.00 0.00 N ATOM 0 H LYS A 15 -14.866 3.594 4.177 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.998 1.515 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.918 4.552 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.431 3.695 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.587 2.839 6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.561 4.280 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.198 2.158 5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.407 1.560 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.390 4.299 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.690 3.246 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.425 3.188 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.071 1.664 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.811 2.685 9.236 1.00 0.00 H new ATOM 281 N ALA A 16 -18.164 2.108 2.177 1.00 0.00 N ATOM 282 CA ALA A 16 -18.494 2.121 0.726 1.00 0.00 C ATOM 283 C ALA A 16 -18.714 3.564 0.267 1.00 0.00 C ATOM 284 O ALA A 16 -19.227 4.382 1.000 1.00 0.00 O ATOM 285 CB ALA A 16 -19.763 1.310 0.472 1.00 0.00 C ATOM 0 H ALA A 16 -18.910 1.786 2.793 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.669 1.679 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.997 1.325 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.608 0.281 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.591 1.745 1.032 1.00 0.00 H new ATOM 291 N GLY A 17 -18.335 3.878 -0.941 1.00 0.00 N ATOM 292 CA GLY A 17 -18.518 5.267 -1.451 1.00 0.00 C ATOM 293 C GLY A 17 -17.822 6.254 -0.510 1.00 0.00 C ATOM 294 O GLY A 17 -18.278 7.363 -0.312 1.00 0.00 O ATOM 0 H GLY A 17 -17.904 3.230 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.105 5.354 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.580 5.503 -1.521 1.00 0.00 H new ATOM 298 N PHE A 18 -16.726 5.858 0.084 1.00 0.00 N ATOM 299 CA PHE A 18 -16.015 6.779 1.026 1.00 0.00 C ATOM 300 C PHE A 18 -14.626 7.134 0.497 1.00 0.00 C ATOM 301 O PHE A 18 -14.244 6.769 -0.599 1.00 0.00 O ATOM 302 CB PHE A 18 -15.848 6.102 2.386 1.00 0.00 C ATOM 303 CG PHE A 18 -17.018 6.446 3.267 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.308 6.401 2.742 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.815 6.797 4.606 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.406 6.705 3.554 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.910 7.102 5.421 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.207 7.056 4.895 1.00 0.00 C ATOM 0 H PHE A 18 -16.293 4.943 -0.040 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.612 7.686 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.780 5.021 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.919 6.427 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.460 6.131 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.814 6.832 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.406 6.669 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.755 7.373 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.053 7.291 5.523 1.00 0.00 H new ATOM 318 N THR A 19 -13.867 7.842 1.292 1.00 0.00 N ATOM 319 CA THR A 19 -12.492 8.233 0.881 1.00 0.00 C ATOM 320 C THR A 19 -11.501 7.790 1.959 1.00 0.00 C ATOM 321 O THR A 19 -11.685 8.053 3.131 1.00 0.00 O ATOM 322 CB THR A 19 -12.423 9.753 0.717 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.697 10.376 1.964 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.455 10.202 -0.318 1.00 0.00 C ATOM 0 H THR A 19 -14.147 8.168 2.217 1.00 0.00 H new ATOM 0 HA THR A 19 -12.241 7.755 -0.066 1.00 0.00 H new ATOM 0 HB THR A 19 -11.426 10.038 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.380 9.803 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.406 11.285 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.243 9.724 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.453 9.918 0.016 1.00 0.00 H new ATOM 332 N HIS A 20 -10.457 7.111 1.575 1.00 0.00 N ATOM 333 CA HIS A 20 -9.461 6.642 2.581 1.00 0.00 C ATOM 334 C HIS A 20 -8.103 7.296 2.320 1.00 0.00 C ATOM 335 O HIS A 20 -7.835 7.793 1.245 1.00 0.00 O ATOM 336 CB HIS A 20 -9.310 5.126 2.459 1.00 0.00 C ATOM 337 CG HIS A 20 -9.207 4.502 3.818 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.271 4.483 4.705 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.183 3.839 4.444 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.870 3.824 5.804 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.602 3.412 5.701 1.00 0.00 N ATOM 0 H HIS A 20 -10.249 6.860 0.608 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.805 6.912 3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.164 4.711 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.422 4.888 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.201 3.673 4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.496 3.648 6.667 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.059 2.896 6.394 1.00 0.00 H new ATOM 349 N ASN A 21 -7.237 7.279 3.296 1.00 0.00 N ATOM 350 CA ASN A 21 -5.885 7.875 3.112 1.00 0.00 C ATOM 351 C ASN A 21 -4.847 6.880 3.630 1.00 0.00 C ATOM 352 O ASN A 21 -4.483 6.889 4.789 1.00 0.00 O ATOM 353 CB ASN A 21 -5.783 9.189 3.887 1.00 0.00 C ATOM 354 CG ASN A 21 -6.621 9.097 5.164 1.00 0.00 C ATOM 355 OD1 ASN A 21 -6.108 8.784 6.220 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.898 9.360 5.112 1.00 0.00 N ATOM 0 H ASN A 21 -7.409 6.876 4.217 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.709 8.084 2.057 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.742 9.396 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.133 10.016 3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.465 9.303 5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.329 9.623 4.226 1.00 0.00 H new ATOM 363 N LEU A 22 -4.392 6.006 2.779 1.00 0.00 N ATOM 364 CA LEU A 22 -3.402 4.982 3.202 1.00 0.00 C ATOM 365 C LEU A 22 -2.005 5.595 3.316 1.00 0.00 C ATOM 366 O LEU A 22 -1.546 6.292 2.433 1.00 0.00 O ATOM 367 CB LEU A 22 -3.389 3.880 2.150 1.00 0.00 C ATOM 368 CG LEU A 22 -2.381 2.800 2.528 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.877 1.463 1.989 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.019 3.123 1.907 1.00 0.00 C ATOM 0 H LEU A 22 -4.667 5.958 1.798 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.679 4.585 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.383 3.443 2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.135 4.300 1.177 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.277 2.755 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.167 0.679 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.849 1.233 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.971 1.520 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.302 2.349 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.114 3.163 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.670 4.087 2.277 1.00 0.00 H new ATOM 382 N GLU A 23 -1.321 5.321 4.395 1.00 0.00 N ATOM 383 CA GLU A 23 0.054 5.866 4.575 1.00 0.00 C ATOM 384 C GLU A 23 1.008 4.718 4.916 1.00 0.00 C ATOM 385 O GLU A 23 0.613 3.718 5.483 1.00 0.00 O ATOM 386 CB GLU A 23 0.055 6.888 5.713 1.00 0.00 C ATOM 387 CG GLU A 23 1.417 7.580 5.776 1.00 0.00 C ATOM 388 CD GLU A 23 1.531 8.368 7.082 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.131 9.521 7.092 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.016 7.806 8.050 1.00 0.00 O ATOM 0 H GLU A 23 -1.658 4.740 5.163 1.00 0.00 H new ATOM 0 HA GLU A 23 0.379 6.352 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.732 7.625 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.158 6.393 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.215 6.840 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.536 8.249 4.924 1.00 0.00 H new ATOM 397 N VAL A 24 2.261 4.850 4.575 1.00 0.00 N ATOM 398 CA VAL A 24 3.239 3.765 4.877 1.00 0.00 C ATOM 399 C VAL A 24 4.652 4.352 4.899 1.00 0.00 C ATOM 400 O VAL A 24 5.003 5.166 4.072 1.00 0.00 O ATOM 401 CB VAL A 24 3.148 2.686 3.792 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.398 1.801 3.824 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.913 1.821 4.039 1.00 0.00 C ATOM 0 H VAL A 24 2.651 5.664 4.099 1.00 0.00 H new ATOM 0 HA VAL A 24 3.013 3.324 5.848 1.00 0.00 H new ATOM 0 HB VAL A 24 3.075 3.168 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.323 1.038 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.282 2.413 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.479 1.321 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.847 1.053 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.990 1.347 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.020 2.445 4.008 1.00 0.00 H new ATOM 413 N ASP A 25 5.465 3.947 5.838 1.00 0.00 N ATOM 414 CA ASP A 25 6.851 4.488 5.906 1.00 0.00 C ATOM 415 C ASP A 25 7.860 3.379 5.612 1.00 0.00 C ATOM 416 O ASP A 25 7.775 2.295 6.153 1.00 0.00 O ATOM 417 CB ASP A 25 7.109 5.053 7.305 1.00 0.00 C ATOM 418 CG ASP A 25 7.419 6.548 7.204 1.00 0.00 C ATOM 419 OD1 ASP A 25 6.519 7.298 6.864 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.551 6.917 7.469 1.00 0.00 O ATOM 0 H ASP A 25 5.228 3.266 6.559 1.00 0.00 H new ATOM 0 HA ASP A 25 6.963 5.279 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.237 4.894 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.943 4.529 7.772 1.00 0.00 H new ATOM 425 N PHE A 26 8.827 3.639 4.767 1.00 0.00 N ATOM 426 CA PHE A 26 9.837 2.583 4.470 1.00 0.00 C ATOM 427 C PHE A 26 11.079 3.214 3.847 1.00 0.00 C ATOM 428 O PHE A 26 11.019 3.843 2.813 1.00 0.00 O ATOM 429 CB PHE A 26 9.237 1.525 3.533 1.00 0.00 C ATOM 430 CG PHE A 26 9.290 1.981 2.094 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.462 1.812 1.344 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.160 2.558 1.506 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.499 2.223 0.006 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.197 2.968 0.171 1.00 0.00 C ATOM 435 CZ PHE A 26 9.366 2.801 -0.581 1.00 0.00 C ATOM 0 H PHE A 26 8.958 4.524 4.277 1.00 0.00 H new ATOM 0 HA PHE A 26 10.125 2.092 5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.783 0.588 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.204 1.327 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.335 1.366 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.257 2.687 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.401 2.094 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.323 3.414 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.394 3.118 -1.613 1.00 0.00 H new ATOM 445 N ILE A 27 12.208 3.050 4.478 1.00 0.00 N ATOM 446 CA ILE A 27 13.457 3.652 3.935 1.00 0.00 C ATOM 447 C ILE A 27 13.984 2.791 2.788 1.00 0.00 C ATOM 448 O ILE A 27 13.341 1.855 2.356 1.00 0.00 O ATOM 449 CB ILE A 27 14.513 3.730 5.043 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.834 3.997 6.391 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.489 4.868 4.740 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.867 5.176 6.256 1.00 0.00 C ATOM 0 H ILE A 27 12.320 2.525 5.346 1.00 0.00 H new ATOM 0 HA ILE A 27 13.243 4.655 3.566 1.00 0.00 H new ATOM 0 HB ILE A 27 15.052 2.784 5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.296 3.108 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.585 4.215 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.240 4.923 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.979 4.682 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.944 5.811 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.386 5.364 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.417 6.064 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.108 4.941 5.510 1.00 0.00 H new ATOM 464 N GLY A 28 15.144 3.109 2.284 1.00 0.00 N ATOM 465 CA GLY A 28 15.713 2.320 1.158 1.00 0.00 C ATOM 466 C GLY A 28 16.651 3.213 0.343 1.00 0.00 C ATOM 467 O GLY A 28 16.375 4.377 0.126 1.00 0.00 O ATOM 0 H GLY A 28 15.724 3.884 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.256 1.456 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.912 1.938 0.524 1.00 0.00 H new ATOM 471 N ALA A 29 17.755 2.689 -0.115 1.00 0.00 N ATOM 472 CA ALA A 29 18.687 3.531 -0.918 1.00 0.00 C ATOM 473 C ALA A 29 19.695 2.638 -1.649 1.00 0.00 C ATOM 474 O ALA A 29 19.741 1.445 -1.420 1.00 0.00 O ATOM 475 CB ALA A 29 19.417 4.503 0.004 1.00 0.00 C ATOM 0 H ALA A 29 18.050 1.724 0.030 1.00 0.00 H new ATOM 0 HA ALA A 29 18.120 4.097 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 29 20.099 5.119 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.691 5.143 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.983 3.943 0.748 1.00 0.00 H new ATOM 481 N PRO A 30 20.453 3.239 -2.535 1.00 0.00 N ATOM 482 CA PRO A 30 20.391 4.691 -2.809 1.00 0.00 C ATOM 483 C PRO A 30 19.098 5.058 -3.537 1.00 0.00 C ATOM 484 O PRO A 30 18.844 6.210 -3.827 1.00 0.00 O ATOM 485 CB PRO A 30 21.623 4.948 -3.682 1.00 0.00 C ATOM 486 CG PRO A 30 22.005 3.587 -4.305 1.00 0.00 C ATOM 487 CD PRO A 30 21.425 2.507 -3.372 1.00 0.00 C ATOM 0 HA PRO A 30 20.391 5.296 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.404 5.682 -4.457 1.00 0.00 H new ATOM 0 HB3 PRO A 30 22.444 5.348 -3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.597 3.492 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 30 23.087 3.488 -4.389 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.943 1.709 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.204 2.044 -2.766 1.00 0.00 H new ATOM 495 N ASP A 31 18.270 4.093 -3.819 1.00 0.00 N ATOM 496 CA ASP A 31 16.988 4.396 -4.508 1.00 0.00 C ATOM 497 C ASP A 31 16.091 3.152 -4.482 1.00 0.00 C ATOM 498 O ASP A 31 16.183 2.306 -5.349 1.00 0.00 O ATOM 499 CB ASP A 31 17.267 4.799 -5.958 1.00 0.00 C ATOM 500 CG ASP A 31 16.232 5.832 -6.409 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.243 5.993 -5.714 1.00 0.00 O ATOM 502 OD2 ASP A 31 16.448 6.445 -7.442 1.00 0.00 O ATOM 0 H ASP A 31 18.426 3.109 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 31 16.485 5.218 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.271 5.213 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.227 3.922 -6.604 1.00 0.00 H new ATOM 507 N PRO A 32 15.253 3.079 -3.477 1.00 0.00 N ATOM 508 CA PRO A 32 14.326 1.946 -3.293 1.00 0.00 C ATOM 509 C PRO A 32 13.105 2.084 -4.206 1.00 0.00 C ATOM 510 O PRO A 32 12.934 3.070 -4.895 1.00 0.00 O ATOM 511 CB PRO A 32 13.897 2.070 -1.830 1.00 0.00 C ATOM 512 CG PRO A 32 14.123 3.549 -1.437 1.00 0.00 C ATOM 513 CD PRO A 32 15.155 4.115 -2.430 1.00 0.00 C ATOM 0 HA PRO A 32 14.785 0.987 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.851 1.790 -1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.482 1.405 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.190 4.110 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.488 3.626 -0.413 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.829 5.070 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 32 16.118 4.288 -1.949 1.00 0.00 H new ATOM 521 N THR A 33 12.246 1.102 -4.195 1.00 0.00 N ATOM 522 CA THR A 33 11.020 1.162 -5.036 1.00 0.00 C ATOM 523 C THR A 33 9.865 0.541 -4.249 1.00 0.00 C ATOM 524 O THR A 33 10.057 -0.376 -3.482 1.00 0.00 O ATOM 525 CB THR A 33 11.244 0.375 -6.329 1.00 0.00 C ATOM 526 OG1 THR A 33 12.372 0.904 -7.013 1.00 0.00 O ATOM 527 CG2 THR A 33 10.006 0.487 -7.220 1.00 0.00 C ATOM 0 H THR A 33 12.343 0.255 -3.635 1.00 0.00 H new ATOM 0 HA THR A 33 10.788 2.197 -5.289 1.00 0.00 H new ATOM 0 HB THR A 33 11.421 -0.674 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.518 0.400 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.168 -0.074 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.142 0.081 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.825 1.534 -7.461 1.00 0.00 H new ATOM 535 N ALA A 34 8.669 1.027 -4.418 1.00 0.00 N ATOM 536 CA ALA A 34 7.529 0.441 -3.657 1.00 0.00 C ATOM 537 C ALA A 34 6.364 0.166 -4.606 1.00 0.00 C ATOM 538 O ALA A 34 5.846 1.059 -5.246 1.00 0.00 O ATOM 539 CB ALA A 34 7.086 1.414 -2.563 1.00 0.00 C ATOM 0 H ALA A 34 8.431 1.797 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 34 7.846 -0.495 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.253 0.983 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.917 1.600 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.772 2.354 -3.017 1.00 0.00 H new ATOM 545 N THR A 35 5.948 -1.066 -4.701 1.00 0.00 N ATOM 546 CA THR A 35 4.818 -1.402 -5.608 1.00 0.00 C ATOM 547 C THR A 35 3.552 -1.637 -4.781 1.00 0.00 C ATOM 548 O THR A 35 3.532 -2.445 -3.870 1.00 0.00 O ATOM 549 CB THR A 35 5.156 -2.669 -6.397 1.00 0.00 C ATOM 550 OG1 THR A 35 6.393 -2.488 -7.072 1.00 0.00 O ATOM 551 CG2 THR A 35 4.052 -2.946 -7.418 1.00 0.00 C ATOM 0 H THR A 35 6.343 -1.855 -4.189 1.00 0.00 H new ATOM 0 HA THR A 35 4.651 -0.577 -6.301 1.00 0.00 H new ATOM 0 HB THR A 35 5.235 -3.514 -5.713 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.612 -3.299 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.294 -3.849 -7.979 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.103 -3.084 -6.899 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.971 -2.103 -8.104 1.00 0.00 H new ATOM 559 N TRP A 36 2.496 -0.937 -5.096 1.00 0.00 N ATOM 560 CA TRP A 36 1.226 -1.115 -4.338 1.00 0.00 C ATOM 561 C TRP A 36 0.400 -2.230 -4.995 1.00 0.00 C ATOM 562 O TRP A 36 -0.210 -2.061 -6.046 1.00 0.00 O ATOM 563 CB TRP A 36 0.449 0.203 -4.338 1.00 0.00 C ATOM 564 CG TRP A 36 0.908 1.040 -3.180 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.660 2.163 -3.274 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.672 0.832 -1.756 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.880 2.663 -2.006 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.297 1.878 -1.037 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.019 -0.147 -1.025 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.239 1.949 0.354 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.076 -0.080 0.376 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.551 0.965 1.063 1.00 0.00 C ATOM 0 H TRP A 36 2.459 -0.248 -5.847 1.00 0.00 H new ATOM 0 HA TRP A 36 1.439 -1.395 -3.306 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.611 0.736 -5.275 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.621 0.009 -4.262 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.028 2.597 -4.192 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.411 3.512 -1.811 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.510 -0.957 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.723 2.760 0.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.608 -0.841 0.928 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.502 1.010 2.141 1.00 0.00 H new ATOM 583 N THR A 37 0.384 -3.384 -4.395 1.00 0.00 N ATOM 584 CA THR A 37 -0.387 -4.499 -4.995 1.00 0.00 C ATOM 585 C THR A 37 -1.637 -4.783 -4.174 1.00 0.00 C ATOM 586 O THR A 37 -1.907 -4.154 -3.169 1.00 0.00 O ATOM 587 CB THR A 37 0.459 -5.770 -5.062 1.00 0.00 C ATOM 588 OG1 THR A 37 1.487 -5.708 -4.085 1.00 0.00 O ATOM 589 CG2 THR A 37 1.078 -5.908 -6.453 1.00 0.00 C ATOM 0 H THR A 37 0.867 -3.601 -3.523 1.00 0.00 H new ATOM 0 HA THR A 37 -0.670 -4.201 -6.004 1.00 0.00 H new ATOM 0 HB THR A 37 -0.175 -6.635 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.087 -5.664 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.680 -6.816 -6.495 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.286 -5.963 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.710 -5.044 -6.657 1.00 0.00 H new ATOM 597 N VAL A 38 -2.409 -5.728 -4.616 1.00 0.00 N ATOM 598 CA VAL A 38 -3.661 -6.067 -3.906 1.00 0.00 C ATOM 599 C VAL A 38 -3.847 -7.592 -3.905 1.00 0.00 C ATOM 600 O VAL A 38 -3.037 -8.324 -4.438 1.00 0.00 O ATOM 601 CB VAL A 38 -4.804 -5.377 -4.654 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.286 -6.261 -5.801 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.957 -5.097 -3.703 1.00 0.00 C ATOM 0 H VAL A 38 -2.222 -6.286 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.638 -5.732 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.439 -4.433 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.099 -5.762 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.463 -6.441 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.641 -7.212 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.765 -4.606 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.319 -6.036 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.614 -4.448 -2.897 1.00 0.00 H new ATOM 650 N ALA A 43 -2.284 -9.868 -7.309 1.00 0.00 N ATOM 651 CA ALA A 43 -3.153 -8.783 -7.814 1.00 0.00 C ATOM 652 C ALA A 43 -2.467 -7.441 -7.560 1.00 0.00 C ATOM 653 O ALA A 43 -1.414 -7.380 -6.957 1.00 0.00 O ATOM 654 CB ALA A 43 -4.491 -8.825 -7.078 1.00 0.00 C ATOM 0 HA ALA A 43 -3.326 -8.909 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.135 -8.027 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.971 -9.788 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.323 -8.690 -6.009 1.00 0.00 H new ATOM 660 N ALA A 44 -3.049 -6.364 -8.008 1.00 0.00 N ATOM 661 CA ALA A 44 -2.419 -5.036 -7.776 1.00 0.00 C ATOM 662 C ALA A 44 -3.508 -3.975 -7.624 1.00 0.00 C ATOM 663 O ALA A 44 -4.653 -4.207 -7.958 1.00 0.00 O ATOM 664 CB ALA A 44 -1.518 -4.682 -8.961 1.00 0.00 C ATOM 0 H ALA A 44 -3.930 -6.346 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.820 -5.072 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.057 -3.709 -8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.740 -5.439 -9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.114 -4.646 -9.873 1.00 0.00 H new ATOM 670 N LEU A 45 -3.174 -2.803 -7.141 1.00 0.00 N ATOM 671 CA LEU A 45 -4.238 -1.756 -7.011 1.00 0.00 C ATOM 672 C LEU A 45 -3.685 -0.402 -7.460 1.00 0.00 C ATOM 673 O LEU A 45 -2.502 -0.142 -7.363 1.00 0.00 O ATOM 674 CB LEU A 45 -4.780 -1.692 -5.567 1.00 0.00 C ATOM 675 CG LEU A 45 -3.763 -1.085 -4.597 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.406 -1.707 -4.823 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.675 0.428 -4.800 1.00 0.00 C ATOM 0 H LEU A 45 -2.239 -2.529 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.076 -2.021 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.695 -1.100 -5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.043 -2.696 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.088 -1.287 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.686 -1.271 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.466 -2.782 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.085 -1.517 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.948 0.847 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.362 0.640 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.652 0.877 -4.619 1.00 0.00 H new ATOM 728 N LEU A 49 -7.995 4.005 -7.466 1.00 0.00 N ATOM 729 CA LEU A 49 -7.682 4.944 -6.362 1.00 0.00 C ATOM 730 C LEU A 49 -6.588 5.907 -6.811 1.00 0.00 C ATOM 731 O LEU A 49 -6.281 6.021 -7.981 1.00 0.00 O ATOM 732 CB LEU A 49 -7.177 4.186 -5.130 1.00 0.00 C ATOM 733 CG LEU A 49 -6.980 2.703 -5.430 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.863 2.157 -4.544 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.277 1.968 -5.117 1.00 0.00 C ATOM 0 HA LEU A 49 -8.593 5.485 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.234 4.619 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.889 4.302 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.715 2.562 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.717 1.097 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.939 2.698 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.134 2.286 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.153 0.906 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.527 2.104 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.080 2.368 -5.736 1.00 0.00 H new ATOM 747 N LEU A 50 -5.985 6.587 -5.878 1.00 0.00 N ATOM 748 CA LEU A 50 -4.884 7.539 -6.239 1.00 0.00 C ATOM 749 C LEU A 50 -3.627 7.136 -5.471 1.00 0.00 C ATOM 750 O LEU A 50 -3.336 7.661 -4.418 1.00 0.00 O ATOM 751 CB LEU A 50 -5.264 8.979 -5.871 1.00 0.00 C ATOM 752 CG LEU A 50 -6.779 9.108 -5.722 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.130 10.559 -5.388 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.457 8.709 -7.035 1.00 0.00 C ATOM 0 H LEU A 50 -6.201 6.530 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.710 7.495 -7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.775 9.264 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.908 9.664 -6.641 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.125 8.453 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.210 10.657 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.645 10.845 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.785 11.211 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.538 8.801 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.114 9.364 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.203 7.677 -7.277 1.00 0.00 H new ATOM 766 N VAL A 51 -2.897 6.185 -5.979 1.00 0.00 N ATOM 767 CA VAL A 51 -1.683 5.710 -5.261 1.00 0.00 C ATOM 768 C VAL A 51 -0.496 6.656 -5.457 1.00 0.00 C ATOM 769 O VAL A 51 -0.120 6.993 -6.562 1.00 0.00 O ATOM 770 CB VAL A 51 -1.317 4.322 -5.781 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.130 3.772 -4.991 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.518 3.397 -5.601 1.00 0.00 C ATOM 0 H VAL A 51 -3.089 5.714 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.907 5.678 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.047 4.383 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.128 2.781 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.725 4.438 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.395 3.704 -3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.269 2.402 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.777 3.339 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.367 3.789 -6.161 1.00 0.00 H new ATOM 782 N ASP A 52 0.112 7.053 -4.370 1.00 0.00 N ATOM 783 CA ASP A 52 1.304 7.944 -4.438 1.00 0.00 C ATOM 784 C ASP A 52 2.416 7.279 -3.625 1.00 0.00 C ATOM 785 O ASP A 52 2.154 6.468 -2.759 1.00 0.00 O ATOM 786 CB ASP A 52 0.970 9.316 -3.842 1.00 0.00 C ATOM 787 CG ASP A 52 -0.110 9.164 -2.769 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.223 8.810 -3.123 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.193 9.405 -1.612 1.00 0.00 O ATOM 0 H ASP A 52 -0.172 6.793 -3.426 1.00 0.00 H new ATOM 0 HA ASP A 52 1.616 8.091 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.865 9.763 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.625 9.989 -4.626 1.00 0.00 H new ATOM 794 N ALA A 53 3.654 7.578 -3.888 1.00 0.00 N ATOM 795 CA ALA A 53 4.718 6.899 -3.103 1.00 0.00 C ATOM 796 C ALA A 53 6.008 7.727 -3.087 1.00 0.00 C ATOM 797 O ALA A 53 6.330 8.425 -4.027 1.00 0.00 O ATOM 798 CB ALA A 53 4.974 5.525 -3.721 1.00 0.00 C ATOM 0 H ALA A 53 3.971 8.244 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 53 4.389 6.789 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.753 5.012 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.057 4.936 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.295 5.646 -4.756 1.00 0.00 H new ATOM 804 N LYS A 54 6.744 7.649 -2.005 1.00 0.00 N ATOM 805 CA LYS A 54 8.016 8.424 -1.890 1.00 0.00 C ATOM 806 C LYS A 54 9.205 7.465 -1.732 1.00 0.00 C ATOM 807 O LYS A 54 9.057 6.325 -1.343 1.00 0.00 O ATOM 808 CB LYS A 54 7.940 9.344 -0.669 1.00 0.00 C ATOM 809 CG LYS A 54 7.934 10.803 -1.128 1.00 0.00 C ATOM 810 CD LYS A 54 6.772 11.543 -0.462 1.00 0.00 C ATOM 811 CE LYS A 54 6.559 12.890 -1.155 1.00 0.00 C ATOM 812 NZ LYS A 54 7.798 13.709 -1.039 1.00 0.00 N ATOM 0 H LYS A 54 6.515 7.077 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 54 8.155 9.018 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.039 9.129 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.789 9.163 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.879 11.281 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.837 10.854 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.863 10.944 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.984 11.696 0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.309 12.736 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.719 13.416 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.583 14.699 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.159 13.656 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.518 13.345 -1.696 1.00 0.00 H new ATOM 826 N SER A 55 10.384 7.921 -2.040 1.00 0.00 N ATOM 827 CA SER A 55 11.586 7.043 -1.929 1.00 0.00 C ATOM 828 C SER A 55 11.656 6.363 -0.553 1.00 0.00 C ATOM 829 O SER A 55 11.737 5.155 -0.458 1.00 0.00 O ATOM 830 CB SER A 55 12.844 7.886 -2.135 1.00 0.00 C ATOM 831 OG SER A 55 12.977 8.802 -1.056 1.00 0.00 O ATOM 0 H SER A 55 10.571 8.869 -2.366 1.00 0.00 H new ATOM 0 HA SER A 55 11.515 6.268 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.722 7.242 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.783 8.426 -3.080 1.00 0.00 H new ATOM 0 HG SER A 55 13.784 9.343 -1.184 1.00 0.00 H new ATOM 837 N SER A 56 11.657 7.120 0.511 1.00 0.00 N ATOM 838 CA SER A 56 11.762 6.496 1.866 1.00 0.00 C ATOM 839 C SER A 56 10.375 6.255 2.468 1.00 0.00 C ATOM 840 O SER A 56 10.234 6.047 3.660 1.00 0.00 O ATOM 841 CB SER A 56 12.555 7.424 2.787 1.00 0.00 C ATOM 842 OG SER A 56 13.691 7.919 2.090 1.00 0.00 O ATOM 0 H SER A 56 11.590 8.138 0.504 1.00 0.00 H new ATOM 0 HA SER A 56 12.269 5.536 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.927 8.252 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.869 6.886 3.682 1.00 0.00 H new ATOM 0 HG SER A 56 14.201 8.516 2.677 1.00 0.00 H new ATOM 848 N THR A 57 9.348 6.266 1.675 1.00 0.00 N ATOM 849 CA THR A 57 7.997 6.030 2.252 1.00 0.00 C ATOM 850 C THR A 57 6.982 5.903 1.124 1.00 0.00 C ATOM 851 O THR A 57 7.337 5.708 -0.014 1.00 0.00 O ATOM 852 CB THR A 57 7.634 7.221 3.146 1.00 0.00 C ATOM 853 OG1 THR A 57 6.535 6.885 3.981 1.00 0.00 O ATOM 854 CG2 THR A 57 7.273 8.419 2.270 1.00 0.00 C ATOM 0 H THR A 57 9.379 6.425 0.668 1.00 0.00 H new ATOM 0 HA THR A 57 7.992 5.112 2.839 1.00 0.00 H new ATOM 0 HB THR A 57 8.488 7.474 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.284 5.949 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.014 9.268 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.125 8.681 1.642 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.422 8.165 1.639 1.00 0.00 H new ATOM 862 N THR A 58 5.725 6.028 1.429 1.00 0.00 N ATOM 863 CA THR A 58 4.698 5.937 0.365 1.00 0.00 C ATOM 864 C THR A 58 3.310 6.002 0.988 1.00 0.00 C ATOM 865 O THR A 58 3.114 5.674 2.140 1.00 0.00 O ATOM 866 CB THR A 58 4.836 4.621 -0.406 1.00 0.00 C ATOM 867 OG1 THR A 58 4.019 4.680 -1.560 1.00 0.00 O ATOM 868 CG2 THR A 58 4.379 3.457 0.469 1.00 0.00 C ATOM 0 H THR A 58 5.365 6.189 2.370 1.00 0.00 H new ATOM 0 HA THR A 58 4.839 6.770 -0.323 1.00 0.00 H new ATOM 0 HB THR A 58 5.878 4.472 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.125 3.855 -2.079 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.480 2.524 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.995 3.414 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.336 3.601 0.751 1.00 0.00 H new ATOM 876 N SER A 59 2.345 6.410 0.223 1.00 0.00 N ATOM 877 CA SER A 59 0.959 6.488 0.746 1.00 0.00 C ATOM 878 C SER A 59 0.017 6.465 -0.437 1.00 0.00 C ATOM 879 O SER A 59 0.319 6.978 -1.495 1.00 0.00 O ATOM 880 CB SER A 59 0.770 7.776 1.547 1.00 0.00 C ATOM 881 OG SER A 59 1.619 7.749 2.687 1.00 0.00 O ATOM 0 H SER A 59 2.457 6.695 -0.750 1.00 0.00 H new ATOM 0 HA SER A 59 0.755 5.647 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.003 8.641 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.270 7.876 1.856 1.00 0.00 H new ATOM 0 HG SER A 59 1.975 6.844 2.808 1.00 0.00 H new ATOM 887 N ILE A 60 -1.110 5.853 -0.296 1.00 0.00 N ATOM 888 CA ILE A 60 -2.016 5.788 -1.454 1.00 0.00 C ATOM 889 C ILE A 60 -3.415 6.266 -1.055 1.00 0.00 C ATOM 890 O ILE A 60 -3.699 6.489 0.107 1.00 0.00 O ATOM 891 CB ILE A 60 -1.949 4.363 -2.021 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.734 3.378 -1.157 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.472 3.930 -2.021 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.585 1.971 -1.745 1.00 0.00 C ATOM 0 H ILE A 60 -1.440 5.401 0.557 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.716 6.464 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.380 4.361 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.364 3.399 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.786 3.662 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.389 2.919 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.107 4.613 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.087 3.951 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.142 1.261 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.975 1.959 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.532 1.691 -1.757 1.00 0.00 H new ATOM 906 N PHE A 61 -4.247 6.539 -2.022 1.00 0.00 N ATOM 907 CA PHE A 61 -5.578 7.140 -1.714 1.00 0.00 C ATOM 908 C PHE A 61 -6.756 6.266 -2.124 1.00 0.00 C ATOM 909 O PHE A 61 -6.697 5.536 -3.084 1.00 0.00 O ATOM 910 CB PHE A 61 -5.657 8.440 -2.499 1.00 0.00 C ATOM 911 CG PHE A 61 -5.341 9.580 -1.588 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.092 9.640 -0.971 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.290 10.573 -1.362 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.787 10.698 -0.122 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.994 11.635 -0.514 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.739 11.704 0.112 1.00 0.00 C ATOM 0 H PHE A 61 -4.064 6.373 -3.012 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.650 7.272 -0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.955 8.419 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.653 8.563 -2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.362 8.865 -1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.255 10.519 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.820 10.746 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.729 12.406 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.507 12.527 0.771 1.00 0.00 H new ATOM 926 N PHE A 62 -7.851 6.395 -1.410 1.00 0.00 N ATOM 927 CA PHE A 62 -9.083 5.627 -1.749 1.00 0.00 C ATOM 928 C PHE A 62 -10.302 6.561 -1.678 1.00 0.00 C ATOM 929 O PHE A 62 -11.300 6.201 -1.087 1.00 0.00 O ATOM 930 CB PHE A 62 -9.344 4.511 -0.732 1.00 0.00 C ATOM 931 CG PHE A 62 -8.156 3.598 -0.546 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.906 4.108 -0.172 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.325 2.219 -0.720 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.829 3.237 0.023 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.247 1.350 -0.529 1.00 0.00 C ATOM 936 CZ PHE A 62 -5.999 1.859 -0.158 1.00 0.00 C ATOM 0 H PHE A 62 -7.940 7.007 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.938 5.208 -2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.609 4.955 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.201 3.922 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.774 5.171 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.290 1.826 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.865 3.628 0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.378 0.287 -0.668 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.165 1.189 -0.011 1.00 0.00 H new ATOM 946 N PRO A 63 -10.210 7.716 -2.281 1.00 0.00 N ATOM 947 CA PRO A 63 -11.327 8.679 -2.295 1.00 0.00 C ATOM 948 C PRO A 63 -12.504 8.082 -3.059 1.00 0.00 C ATOM 949 O PRO A 63 -13.623 8.549 -2.985 1.00 0.00 O ATOM 950 CB PRO A 63 -10.737 9.915 -2.978 1.00 0.00 C ATOM 951 CG PRO A 63 -9.512 9.411 -3.766 1.00 0.00 C ATOM 952 CD PRO A 63 -9.018 8.165 -3.013 1.00 0.00 C ATOM 0 HA PRO A 63 -11.717 8.928 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.465 10.381 -3.642 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.448 10.667 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.781 9.167 -4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.735 10.174 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.655 7.399 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.197 8.403 -2.337 1.00 0.00 H new ATOM 960 N SER A 64 -12.252 7.022 -3.763 1.00 0.00 N ATOM 961 CA SER A 64 -13.334 6.332 -4.511 1.00 0.00 C ATOM 962 C SER A 64 -13.440 4.901 -3.976 1.00 0.00 C ATOM 963 O SER A 64 -13.444 3.948 -4.729 1.00 0.00 O ATOM 964 CB SER A 64 -12.991 6.299 -6.003 1.00 0.00 C ATOM 965 OG SER A 64 -14.184 6.441 -6.762 1.00 0.00 O ATOM 0 H SER A 64 -11.329 6.597 -3.854 1.00 0.00 H new ATOM 0 HA SER A 64 -14.280 6.858 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.294 7.101 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.496 5.361 -6.254 1.00 0.00 H new ATOM 0 HG SER A 64 -13.968 6.422 -7.718 1.00 0.00 H new ATOM 971 N ALA A 65 -13.504 4.739 -2.675 1.00 0.00 N ATOM 972 CA ALA A 65 -13.585 3.365 -2.104 1.00 0.00 C ATOM 973 C ALA A 65 -15.033 2.897 -2.060 1.00 0.00 C ATOM 974 O ALA A 65 -15.937 3.652 -1.748 1.00 0.00 O ATOM 975 CB ALA A 65 -13.020 3.352 -0.688 1.00 0.00 C ATOM 0 H ALA A 65 -13.503 5.496 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.004 2.696 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.084 2.343 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.977 3.669 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.594 4.034 -0.061 1.00 0.00 H new ATOM 981 N LYS A 66 -15.242 1.643 -2.355 1.00 0.00 N ATOM 982 CA LYS A 66 -16.616 1.071 -2.335 1.00 0.00 C ATOM 983 C LYS A 66 -16.532 -0.428 -2.046 1.00 0.00 C ATOM 984 O LYS A 66 -15.460 -0.985 -1.933 1.00 0.00 O ATOM 985 CB LYS A 66 -17.283 1.293 -3.694 1.00 0.00 C ATOM 986 CG LYS A 66 -18.752 1.663 -3.488 1.00 0.00 C ATOM 987 CD LYS A 66 -19.603 1.000 -4.573 1.00 0.00 C ATOM 988 CE LYS A 66 -19.193 1.540 -5.944 1.00 0.00 C ATOM 989 NZ LYS A 66 -19.890 0.767 -7.011 1.00 0.00 N ATOM 0 H LYS A 66 -14.508 0.983 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.205 1.561 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.770 2.087 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.206 0.390 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.085 1.339 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.874 2.745 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.472 -0.082 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.660 1.198 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.447 2.597 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.113 1.462 -6.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.612 1.134 -7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.627 -0.237 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.919 0.864 -6.894 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.652 -1.085 -1.922 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.630 -2.548 -1.636 1.00 0.00 C ATOM 1005 C ARG A 67 -16.574 -3.228 -2.511 1.00 0.00 C ATOM 1006 O ARG A 67 -15.849 -4.095 -2.065 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.005 -3.146 -1.940 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.255 -4.345 -1.024 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.743 -4.698 -1.038 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.258 -4.739 0.360 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.281 -5.493 0.657 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.252 -6.769 0.385 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -23.334 -4.970 1.225 1.00 0.00 N ATOM 0 H ARG A 67 -18.581 -0.673 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.386 -2.708 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.781 -2.394 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.056 -3.456 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.665 -5.199 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.935 -4.113 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.297 -3.961 -1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.894 -5.664 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.811 -4.178 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.430 -7.177 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.052 -7.358 0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.357 -3.972 1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.134 -5.559 1.457 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.486 -2.847 -3.756 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.486 -3.471 -4.661 1.00 0.00 C ATOM 1029 C ALA A 68 -14.077 -3.282 -4.091 1.00 0.00 C ATOM 1030 O ALA A 68 -13.282 -4.200 -4.058 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.568 -2.813 -6.039 1.00 0.00 C ATOM 0 H ALA A 68 -17.067 -2.127 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.698 -4.537 -4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.835 -3.269 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.568 -2.953 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.360 -1.747 -5.946 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.761 -2.096 -3.646 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.404 -1.846 -3.083 1.00 0.00 C ATOM 1039 C ASP A 69 -12.090 -2.892 -2.013 1.00 0.00 C ATOM 1040 O ASP A 69 -10.944 -3.164 -1.713 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.362 -0.450 -2.458 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.130 0.594 -3.551 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -13.078 0.910 -4.252 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.009 1.061 -3.669 1.00 0.00 O ATOM 0 H ASP A 69 -14.385 -1.289 -3.648 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.664 -1.912 -3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.298 -0.245 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.566 -0.397 -1.715 1.00 0.00 H new ATOM 1049 N SER A 70 -13.098 -3.480 -1.432 1.00 0.00 N ATOM 1050 CA SER A 70 -12.858 -4.507 -0.378 1.00 0.00 C ATOM 1051 C SER A 70 -11.891 -5.568 -0.908 1.00 0.00 C ATOM 1052 O SER A 70 -12.298 -6.563 -1.475 1.00 0.00 O ATOM 1053 CB SER A 70 -14.183 -5.170 -0.001 1.00 0.00 C ATOM 1054 OG SER A 70 -15.143 -4.164 0.293 1.00 0.00 O ATOM 0 H SER A 70 -14.079 -3.294 -1.641 1.00 0.00 H new ATOM 0 HA SER A 70 -12.427 -4.029 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.535 -5.797 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.045 -5.821 0.862 1.00 0.00 H new ATOM 0 HG SER A 70 -15.810 -4.129 -0.424 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.614 -5.366 -0.730 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.628 -6.366 -1.227 1.00 0.00 C ATOM 1062 C GLY A 71 -8.412 -6.406 -0.298 1.00 0.00 C ATOM 1063 O GLY A 71 -8.318 -5.662 0.664 1.00 0.00 O ATOM 0 H GLY A 71 -10.212 -4.553 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.091 -7.352 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.315 -6.109 -2.239 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.472 -7.266 -0.584 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.259 -7.352 0.273 1.00 0.00 C ATOM 1069 C ASN A 72 -5.166 -6.480 -0.336 1.00 0.00 C ATOM 1070 O ASN A 72 -4.454 -6.891 -1.230 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.781 -8.804 0.344 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.990 -9.741 0.355 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.052 -10.680 -0.413 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -7.960 -9.525 1.201 1.00 0.00 N ATOM 0 H ASN A 72 -7.493 -7.911 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.491 -7.006 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.141 -9.029 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.181 -8.957 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.770 -10.145 1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.908 -8.737 1.846 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.028 -5.276 0.137 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.987 -4.376 -0.419 1.00 0.00 C ATOM 1083 C TYR A 73 -2.626 -4.777 0.145 1.00 0.00 C ATOM 1084 O TYR A 73 -2.333 -4.557 1.302 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.319 -2.932 -0.039 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.498 -2.469 -0.864 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.726 -3.138 -0.776 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.358 -1.381 -1.728 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.812 -2.714 -1.552 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.442 -0.959 -2.507 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.669 -1.625 -2.419 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.737 -1.209 -3.187 1.00 0.00 O ATOM 0 H TYR A 73 -5.593 -4.876 0.886 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.957 -4.458 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.553 -2.866 1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.458 -2.288 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.835 -3.981 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.412 -0.864 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.760 -3.227 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.331 -0.119 -3.176 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.546 -1.687 -2.908 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.794 -5.370 -0.666 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.452 -5.794 -0.178 1.00 0.00 C ATOM 1104 C LYS A 74 0.616 -4.945 -0.858 1.00 0.00 C ATOM 1105 O LYS A 74 0.676 -4.866 -2.066 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.228 -7.269 -0.517 1.00 0.00 C ATOM 1107 CG LYS A 74 0.108 -8.041 0.760 1.00 0.00 C ATOM 1108 CD LYS A 74 1.164 -9.105 0.452 1.00 0.00 C ATOM 1109 CE LYS A 74 2.425 -8.826 1.271 1.00 0.00 C ATOM 1110 NZ LYS A 74 2.532 -9.824 2.372 1.00 0.00 N ATOM 0 H LYS A 74 -1.986 -5.579 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.393 -5.661 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.121 -7.686 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.583 -7.368 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.478 -7.357 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.790 -8.511 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.776 -10.096 0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.400 -9.100 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.306 -8.878 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.389 -7.817 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.036 -9.400 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.579 -10.112 2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.056 -10.657 2.036 1.00 0.00 H new ATOM 1124 N LEU A 75 1.456 -4.305 -0.096 1.00 0.00 N ATOM 1125 CA LEU A 75 2.511 -3.453 -0.709 1.00 0.00 C ATOM 1126 C LEU A 75 3.869 -4.137 -0.563 1.00 0.00 C ATOM 1127 O LEU A 75 4.162 -4.747 0.443 1.00 0.00 O ATOM 1128 CB LEU A 75 2.522 -2.098 0.002 1.00 0.00 C ATOM 1129 CG LEU A 75 3.819 -1.347 -0.295 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.494 -0.020 -0.972 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.546 -1.070 1.020 1.00 0.00 C ATOM 0 H LEU A 75 1.458 -4.335 0.924 1.00 0.00 H new ATOM 0 HA LEU A 75 2.307 -3.306 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.668 -1.503 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.418 -2.244 1.077 1.00 0.00 H new ATOM 0 HG LEU A 75 4.448 -1.948 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.419 0.516 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.961 -0.208 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.869 0.582 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.473 -0.534 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.911 -0.464 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.773 -2.014 1.516 1.00 0.00 H new ATOM 1143 N LYS A 76 4.701 -4.039 -1.563 1.00 0.00 N ATOM 1144 CA LYS A 76 6.040 -4.686 -1.479 1.00 0.00 C ATOM 1145 C LYS A 76 7.097 -3.755 -2.072 1.00 0.00 C ATOM 1146 O LYS A 76 7.090 -3.464 -3.252 1.00 0.00 O ATOM 1147 CB LYS A 76 6.021 -6.001 -2.263 1.00 0.00 C ATOM 1148 CG LYS A 76 7.445 -6.550 -2.376 1.00 0.00 C ATOM 1149 CD LYS A 76 7.518 -7.923 -1.705 1.00 0.00 C ATOM 1150 CE LYS A 76 8.064 -8.949 -2.700 1.00 0.00 C ATOM 1151 NZ LYS A 76 9.549 -9.006 -2.590 1.00 0.00 N ATOM 0 H LYS A 76 4.512 -3.540 -2.432 1.00 0.00 H new ATOM 0 HA LYS A 76 6.280 -4.888 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.379 -6.726 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.603 -5.838 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.733 -6.630 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.149 -5.865 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.160 -7.876 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.529 -8.225 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.636 -9.931 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.774 -8.677 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.921 -9.703 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.949 -8.070 -2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.815 -9.285 -1.624 1.00 0.00 H new ATOM 1165 N VAL A 77 8.011 -3.288 -1.266 1.00 0.00 N ATOM 1166 CA VAL A 77 9.069 -2.383 -1.793 1.00 0.00 C ATOM 1167 C VAL A 77 10.385 -3.159 -1.877 1.00 0.00 C ATOM 1168 O VAL A 77 10.656 -4.023 -1.069 1.00 0.00 O ATOM 1169 CB VAL A 77 9.207 -1.153 -0.876 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.840 -0.815 -0.284 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.188 -1.427 0.270 1.00 0.00 C ATOM 0 H VAL A 77 8.070 -3.494 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 77 8.803 -2.030 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 77 9.586 -0.321 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.930 0.055 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.139 -0.595 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.474 -1.664 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.266 -0.542 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.828 -2.266 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.169 -1.668 -0.140 1.00 0.00 H new ATOM 1181 N LYS A 78 11.193 -2.876 -2.858 1.00 0.00 N ATOM 1182 CA LYS A 78 12.478 -3.616 -2.999 1.00 0.00 C ATOM 1183 C LYS A 78 13.621 -2.634 -3.271 1.00 0.00 C ATOM 1184 O LYS A 78 13.406 -1.484 -3.601 1.00 0.00 O ATOM 1185 CB LYS A 78 12.361 -4.599 -4.167 1.00 0.00 C ATOM 1186 CG LYS A 78 13.750 -5.107 -4.560 1.00 0.00 C ATOM 1187 CD LYS A 78 13.616 -6.162 -5.660 1.00 0.00 C ATOM 1188 CE LYS A 78 14.522 -5.794 -6.836 1.00 0.00 C ATOM 1189 NZ LYS A 78 15.753 -6.634 -6.796 1.00 0.00 N ATOM 0 H LYS A 78 11.020 -2.165 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 78 12.688 -4.157 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.724 -5.437 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.888 -4.111 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.366 -4.279 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.252 -5.534 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.888 -7.144 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.580 -6.226 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.994 -5.947 -7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.788 -4.738 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.370 -6.384 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.259 -6.466 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.490 -7.638 -6.862 1.00 0.00 H new ATOM 1203 N ASN A 79 14.836 -3.091 -3.139 1.00 0.00 N ATOM 1204 CA ASN A 79 16.008 -2.208 -3.391 1.00 0.00 C ATOM 1205 C ASN A 79 17.282 -3.047 -3.312 1.00 0.00 C ATOM 1206 O ASN A 79 17.488 -3.779 -2.371 1.00 0.00 O ATOM 1207 CB ASN A 79 16.055 -1.101 -2.338 1.00 0.00 C ATOM 1208 CG ASN A 79 17.170 -0.115 -2.686 1.00 0.00 C ATOM 1209 OD1 ASN A 79 18.179 -0.494 -3.246 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.031 1.144 -2.376 1.00 0.00 N ATOM 0 H ASN A 79 15.068 -4.046 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 79 15.924 -1.754 -4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.097 -0.583 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.229 -1.530 -1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 79 17.769 1.810 -2.604 1.00 0.00 H new ATOM 0 HD22 ASN A 79 16.184 1.463 -1.906 1.00 0.00 H new ATOM 1217 N GLU A 80 18.129 -2.952 -4.298 1.00 0.00 N ATOM 1218 CA GLU A 80 19.390 -3.748 -4.294 1.00 0.00 C ATOM 1219 C GLU A 80 19.101 -5.198 -3.870 1.00 0.00 C ATOM 1220 O GLU A 80 18.079 -5.758 -4.215 1.00 0.00 O ATOM 1221 CB GLU A 80 20.415 -3.099 -3.354 1.00 0.00 C ATOM 1222 CG GLU A 80 19.943 -3.182 -1.902 1.00 0.00 C ATOM 1223 CD GLU A 80 21.050 -2.671 -0.979 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.150 -1.466 -0.817 1.00 0.00 O ATOM 1225 OE2 GLU A 80 21.780 -3.493 -0.450 1.00 0.00 O ATOM 0 H GLU A 80 18.002 -2.353 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 80 19.806 -3.764 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.378 -3.598 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.564 -2.056 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 80 19.039 -2.588 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.689 -4.211 -1.649 1.00 0.00 H new ATOM 1232 N LEU A 81 20.001 -5.822 -3.152 1.00 0.00 N ATOM 1233 CA LEU A 81 19.782 -7.246 -2.743 1.00 0.00 C ATOM 1234 C LEU A 81 18.883 -7.325 -1.503 1.00 0.00 C ATOM 1235 O LEU A 81 18.744 -8.365 -0.891 1.00 0.00 O ATOM 1236 CB LEU A 81 21.136 -7.907 -2.448 1.00 0.00 C ATOM 1237 CG LEU A 81 21.614 -7.541 -1.038 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.865 -8.352 -0.698 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.947 -6.048 -0.980 1.00 0.00 C ATOM 0 H LEU A 81 20.877 -5.409 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 81 19.286 -7.772 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.047 -8.990 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.873 -7.585 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 81 20.826 -7.766 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 81 23.206 -8.092 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.631 -9.416 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.652 -8.127 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.287 -5.790 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 81 22.735 -5.823 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.057 -5.467 -1.223 1.00 0.00 H new ATOM 1251 N GLY A 82 18.271 -6.240 -1.134 1.00 0.00 N ATOM 1252 CA GLY A 82 17.379 -6.250 0.061 1.00 0.00 C ATOM 1253 C GLY A 82 15.987 -5.767 -0.344 1.00 0.00 C ATOM 1254 O GLY A 82 15.836 -4.990 -1.266 1.00 0.00 O ATOM 0 H GLY A 82 18.348 -5.340 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.321 -7.256 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.788 -5.606 0.840 1.00 0.00 H new ATOM 1258 N GLU A 83 14.965 -6.217 0.330 1.00 0.00 N ATOM 1259 CA GLU A 83 13.591 -5.773 -0.037 1.00 0.00 C ATOM 1260 C GLU A 83 12.675 -5.827 1.186 1.00 0.00 C ATOM 1261 O GLU A 83 12.751 -6.729 1.998 1.00 0.00 O ATOM 1262 CB GLU A 83 13.020 -6.686 -1.126 1.00 0.00 C ATOM 1263 CG GLU A 83 14.159 -7.323 -1.927 1.00 0.00 C ATOM 1264 CD GLU A 83 13.583 -8.051 -3.143 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.597 -7.574 -3.681 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.137 -9.071 -3.516 1.00 0.00 O ATOM 0 H GLU A 83 15.020 -6.868 1.113 1.00 0.00 H new ATOM 0 HA GLU A 83 13.646 -4.749 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.404 -7.463 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.374 -6.113 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.864 -6.557 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.712 -8.022 -1.300 1.00 0.00 H new ATOM 1273 N ASP A 84 11.800 -4.870 1.310 1.00 0.00 N ATOM 1274 CA ASP A 84 10.857 -4.853 2.462 1.00 0.00 C ATOM 1275 C ASP A 84 9.427 -4.973 1.929 1.00 0.00 C ATOM 1276 O ASP A 84 9.191 -4.867 0.741 1.00 0.00 O ATOM 1277 CB ASP A 84 11.017 -3.541 3.232 1.00 0.00 C ATOM 1278 CG ASP A 84 11.868 -3.783 4.480 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.051 -4.035 4.326 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.322 -3.715 5.569 1.00 0.00 O ATOM 0 H ASP A 84 11.697 -4.093 0.658 1.00 0.00 H new ATOM 0 HA ASP A 84 11.070 -5.686 3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.488 -2.790 2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.039 -3.152 3.515 1.00 0.00 H new ATOM 1285 N GLU A 85 8.468 -5.202 2.786 1.00 0.00 N ATOM 1286 CA GLU A 85 7.066 -5.337 2.297 1.00 0.00 C ATOM 1287 C GLU A 85 6.084 -5.149 3.456 1.00 0.00 C ATOM 1288 O GLU A 85 6.314 -5.597 4.562 1.00 0.00 O ATOM 1289 CB GLU A 85 6.883 -6.732 1.687 1.00 0.00 C ATOM 1290 CG GLU A 85 5.393 -7.037 1.506 1.00 0.00 C ATOM 1291 CD GLU A 85 5.010 -8.244 2.364 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.522 -9.319 2.100 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.210 -8.072 3.269 1.00 0.00 O ATOM 0 H GLU A 85 8.593 -5.301 3.794 1.00 0.00 H new ATOM 0 HA GLU A 85 6.869 -4.574 1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.393 -6.786 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.340 -7.482 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.797 -6.171 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.178 -7.240 0.457 1.00 0.00 H new ATOM 1300 N ALA A 86 4.981 -4.495 3.202 1.00 0.00 N ATOM 1301 CA ALA A 86 3.968 -4.283 4.272 1.00 0.00 C ATOM 1302 C ALA A 86 2.631 -4.873 3.815 1.00 0.00 C ATOM 1303 O ALA A 86 2.357 -4.973 2.633 1.00 0.00 O ATOM 1304 CB ALA A 86 3.808 -2.785 4.538 1.00 0.00 C ATOM 0 H ALA A 86 4.739 -4.098 2.294 1.00 0.00 H new ATOM 0 HA ALA A 86 4.291 -4.774 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.066 -2.632 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.763 -2.368 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.480 -2.286 3.626 1.00 0.00 H new ATOM 1310 N ILE A 87 1.796 -5.270 4.737 1.00 0.00 N ATOM 1311 CA ILE A 87 0.485 -5.861 4.347 1.00 0.00 C ATOM 1312 C ILE A 87 -0.643 -4.888 4.691 1.00 0.00 C ATOM 1313 O ILE A 87 -0.600 -4.198 5.691 1.00 0.00 O ATOM 1314 CB ILE A 87 0.279 -7.179 5.098 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -0.874 -7.963 4.456 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.045 -6.893 6.566 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.211 -7.280 4.761 1.00 0.00 C ATOM 0 H ILE A 87 1.965 -5.211 5.741 1.00 0.00 H new ATOM 0 HA ILE A 87 0.477 -6.050 3.274 1.00 0.00 H new ATOM 0 HB ILE A 87 1.192 -7.771 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.726 -8.024 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.884 -8.985 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.191 -7.834 7.096 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.780 -6.344 7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.955 -6.297 6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.022 -7.845 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.362 -7.242 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.202 -6.267 4.360 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.652 -4.826 3.867 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.783 -3.897 4.141 1.00 0.00 C ATOM 1331 C PHE A 88 -4.094 -4.517 3.655 1.00 0.00 C ATOM 1332 O PHE A 88 -4.492 -4.337 2.522 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.557 -2.577 3.402 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.158 -2.078 3.661 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.068 -2.694 3.037 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.951 -0.995 4.522 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.230 -2.227 3.275 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.346 -0.527 4.759 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.436 -1.143 4.136 1.00 0.00 C ATOM 0 H PHE A 88 -1.742 -5.379 3.015 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.838 -3.716 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.710 -2.718 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.284 -1.836 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.228 -3.530 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.793 -0.520 5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.072 -2.703 2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.505 0.310 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.437 -0.782 4.319 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.785 -5.222 4.504 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.081 -5.819 4.078 1.00 0.00 C ATOM 1351 C GLU A 89 -7.130 -4.713 4.122 1.00 0.00 C ATOM 1352 O GLU A 89 -7.513 -4.258 5.178 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.473 -6.946 5.036 1.00 0.00 C ATOM 1354 CG GLU A 89 -5.876 -8.266 4.542 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.636 -9.436 5.168 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.549 -9.595 6.375 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.291 -10.154 4.431 1.00 0.00 O ATOM 0 H GLU A 89 -4.512 -5.410 5.468 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.002 -6.235 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.113 -6.725 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.558 -7.025 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.936 -8.320 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.820 -8.321 4.807 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.576 -4.249 2.988 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.569 -3.140 2.992 1.00 0.00 C ATOM 1366 C VAL A 90 -9.977 -3.681 2.762 1.00 0.00 C ATOM 1367 O VAL A 90 -10.257 -4.318 1.767 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.209 -2.145 1.888 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.160 -0.948 1.943 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.771 -1.664 2.099 1.00 0.00 C ATOM 0 H VAL A 90 -7.299 -4.586 2.066 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.546 -2.643 3.962 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.298 -2.629 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.901 -0.241 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.185 -1.291 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.073 -0.458 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.506 -0.954 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.689 -1.179 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.093 -2.516 2.060 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.871 -3.417 3.675 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.267 -3.900 3.509 1.00 0.00 C ATOM 1382 C ILE A 91 -13.189 -2.696 3.309 1.00 0.00 C ATOM 1383 O ILE A 91 -12.808 -1.566 3.547 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.703 -4.674 4.752 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.988 -6.026 4.788 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.215 -4.898 4.695 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -12.149 -6.652 6.174 1.00 0.00 C ATOM 0 H ILE A 91 -10.693 -2.887 4.528 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.323 -4.560 2.643 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.448 -4.107 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.402 -6.689 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.931 -5.896 4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.535 -5.450 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.725 -3.935 4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.465 -5.469 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.640 -7.615 6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.714 -5.992 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -13.208 -6.796 6.387 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.395 -2.925 2.868 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.327 -1.787 2.646 1.00 0.00 C ATOM 1401 C VAL A 92 -16.700 -2.113 3.230 1.00 0.00 C ATOM 1402 O VAL A 92 -17.252 -3.170 2.998 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.450 -1.533 1.148 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.110 -0.174 0.908 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.051 -1.539 0.534 1.00 0.00 C ATOM 0 H VAL A 92 -14.773 -3.848 2.653 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.940 -0.896 3.141 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.061 -2.310 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.196 0.004 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.103 -0.167 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.502 0.610 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.124 -1.358 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.448 -0.756 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.581 -2.507 0.708 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.256 -1.209 3.988 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.596 -1.460 4.589 1.00 0.00 C ATOM 1417 C GLN A 93 -19.627 -0.533 3.943 1.00 0.00 C ATOM 1418 O GLN A 93 -20.369 -1.002 3.097 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.538 -1.191 6.094 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.983 -2.442 6.854 1.00 0.00 C ATOM 1421 CD GLN A 93 -19.876 -2.036 8.027 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.425 -1.392 8.954 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -21.133 -2.386 8.027 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.657 0.632 4.306 1.00 0.00 O ATOM 0 H GLN A 93 -16.840 -0.306 4.217 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.883 -2.497 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.524 -0.916 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.182 -0.349 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.524 -3.113 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.113 -2.988 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.512 -2.926 7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -21.737 -2.119 8.805 1.00 0.00 H new