USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= -0.34 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.09 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 36:sc= 0.682 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.0807 (180deg=-0.201) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.392 F(o=-1.8,f=-0.39) USER MOD Single : A 21 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 23 MET CE :methyl 177:sc= -3.3 (180deg=-3.65!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.102 (180deg=-0.675) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= -0.0276 (180deg=-0.288) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 65 SER OG : rot -179:sc= -0.152 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.193 USER MOD Single : A 76 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.14) USER MOD Single : A 83 MET CE :methyl -111:sc= -3.66! (180deg=-6.8!) USER MOD Single : A 84 THR OG1 : rot 95:sc= 1.15 USER MOD Single : A 86 THR OG1 : rot -144:sc= 0.687 USER MOD Single : A 87 SER OG : rot 180:sc= 0.015 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.303) USER MOD Single : A 97 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.24) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.648 -19.255 20.383 1.00 0.00 N ATOM 2 CA GLY A 1 3.587 -18.380 19.911 1.00 0.00 C ATOM 3 C GLY A 1 2.675 -19.109 18.922 1.00 0.00 C ATOM 4 O GLY A 1 3.061 -20.126 18.348 1.00 0.00 O ATOM 0 H1 GLY A 1 4.494 -19.476 21.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.644 -20.136 19.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.566 -18.780 20.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.000 -18.024 20.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.021 -17.502 19.432 1.00 0.00 H new ATOM 8 N PRO A 2 1.449 -18.545 18.749 1.00 0.00 N ATOM 9 CA PRO A 2 0.478 -19.130 17.840 1.00 0.00 C ATOM 10 C PRO A 2 0.852 -18.848 16.384 1.00 0.00 C ATOM 11 O PRO A 2 1.442 -17.812 16.080 1.00 0.00 O ATOM 12 CB PRO A 2 -0.854 -18.518 18.241 1.00 0.00 C ATOM 13 CG PRO A 2 -0.516 -17.273 19.045 1.00 0.00 C ATOM 14 CD PRO A 2 0.957 -17.341 19.412 1.00 0.00 C ATOM 0 HA PRO A 2 0.438 -20.217 17.909 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.448 -18.266 17.363 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.443 -19.218 18.834 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.723 -16.375 18.463 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.131 -17.220 19.943 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.491 -16.454 19.071 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.094 -17.400 20.492 1.00 0.00 H new ATOM 22 N LEU A 3 0.493 -19.787 15.521 1.00 0.00 N ATOM 23 CA LEU A 3 0.783 -19.653 14.104 1.00 0.00 C ATOM 24 C LEU A 3 0.097 -20.786 13.338 1.00 0.00 C ATOM 25 O LEU A 3 -0.327 -21.774 13.933 1.00 0.00 O ATOM 26 CB LEU A 3 2.293 -19.578 13.871 1.00 0.00 C ATOM 27 CG LEU A 3 3.102 -20.795 14.325 1.00 0.00 C ATOM 28 CD1 LEU A 3 4.066 -21.252 13.228 1.00 0.00 C ATOM 29 CD2 LEU A 3 3.826 -20.512 15.642 1.00 0.00 C ATOM 0 H LEU A 3 0.003 -20.645 15.776 1.00 0.00 H new ATOM 0 HA LEU A 3 0.378 -18.717 13.719 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.469 -19.426 12.806 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.677 -18.698 14.387 1.00 0.00 H new ATOM 0 HG LEU A 3 2.409 -21.616 14.509 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.629 -22.118 13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.501 -21.521 12.336 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.756 -20.443 12.990 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.393 -21.393 15.942 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.506 -19.670 15.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.096 -20.271 16.414 1.00 0.00 H new ATOM 41 N GLY A 4 0.011 -20.603 12.028 1.00 0.00 N ATOM 42 CA GLY A 4 -0.616 -21.598 11.174 1.00 0.00 C ATOM 43 C GLY A 4 0.373 -22.130 10.135 1.00 0.00 C ATOM 44 O GLY A 4 1.579 -21.920 10.256 1.00 0.00 O ATOM 0 H GLY A 4 0.365 -19.781 11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.988 -22.422 11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.477 -21.159 10.670 1.00 0.00 H new ATOM 48 N SER A 5 -0.174 -22.810 9.138 1.00 0.00 N ATOM 49 CA SER A 5 0.645 -23.374 8.078 1.00 0.00 C ATOM 50 C SER A 5 0.199 -22.824 6.722 1.00 0.00 C ATOM 51 O SER A 5 1.028 -22.415 5.911 1.00 0.00 O ATOM 52 CB SER A 5 0.574 -24.902 8.081 1.00 0.00 C ATOM 53 OG SER A 5 1.685 -25.490 7.410 1.00 0.00 O ATOM 0 H SER A 5 -1.175 -22.983 9.042 1.00 0.00 H new ATOM 0 HA SER A 5 1.681 -23.085 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.540 -25.261 9.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.351 -25.223 7.601 1.00 0.00 H new ATOM 0 HG SER A 5 1.603 -26.466 7.435 1.00 0.00 H new ATOM 59 N LEU A 6 -1.110 -22.831 6.519 1.00 0.00 N ATOM 60 CA LEU A 6 -1.677 -22.338 5.275 1.00 0.00 C ATOM 61 C LEU A 6 -1.849 -20.820 5.364 1.00 0.00 C ATOM 62 O LEU A 6 -2.635 -20.328 6.171 1.00 0.00 O ATOM 63 CB LEU A 6 -2.970 -23.085 4.942 1.00 0.00 C ATOM 64 CG LEU A 6 -2.802 -24.459 4.290 1.00 0.00 C ATOM 65 CD1 LEU A 6 -2.079 -24.343 2.946 1.00 0.00 C ATOM 66 CD2 LEU A 6 -2.100 -25.433 5.237 1.00 0.00 C ATOM 0 H LEU A 6 -1.794 -23.170 7.195 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.000 -22.534 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.542 -23.209 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.566 -22.460 4.277 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.793 -24.865 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.972 -25.333 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.657 -23.706 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.092 -23.906 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.993 -26.402 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.114 -25.045 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.692 -25.548 6.145 1.00 0.00 H new ATOM 78 N ARG A 7 -1.100 -20.122 4.523 1.00 0.00 N ATOM 79 CA ARG A 7 -1.160 -18.670 4.497 1.00 0.00 C ATOM 80 C ARG A 7 -1.236 -18.168 3.053 1.00 0.00 C ATOM 81 O ARG A 7 -0.369 -18.479 2.238 1.00 0.00 O ATOM 82 CB ARG A 7 0.064 -18.056 5.179 1.00 0.00 C ATOM 83 CG ARG A 7 -0.112 -18.029 6.699 1.00 0.00 C ATOM 84 CD ARG A 7 0.948 -18.890 7.389 1.00 0.00 C ATOM 85 NE ARG A 7 1.203 -18.381 8.755 1.00 0.00 N ATOM 86 CZ ARG A 7 2.319 -18.631 9.453 1.00 0.00 C ATOM 87 NH1 ARG A 7 3.289 -19.385 8.919 1.00 0.00 N ATOM 88 NH2 ARG A 7 2.465 -18.127 10.686 1.00 0.00 N ATOM 0 H ARG A 7 -0.449 -20.534 3.855 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.055 -18.365 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.954 -18.630 4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.221 -17.043 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.042 -17.002 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.106 -18.391 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.613 -19.926 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.871 -18.879 6.810 1.00 0.00 H new ATOM 0 HE ARG A 7 0.485 -17.804 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.178 -19.769 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.138 -19.575 9.451 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.727 -17.553 11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 7 3.315 -18.317 11.217 1.00 0.00 H new ATOM 102 N LYS A 8 -2.281 -17.401 2.782 1.00 0.00 N ATOM 103 CA LYS A 8 -2.482 -16.853 1.451 1.00 0.00 C ATOM 104 C LYS A 8 -2.257 -15.340 1.488 1.00 0.00 C ATOM 105 O LYS A 8 -2.659 -14.672 2.440 1.00 0.00 O ATOM 106 CB LYS A 8 -3.853 -17.258 0.906 1.00 0.00 C ATOM 107 CG LYS A 8 -3.841 -17.311 -0.623 1.00 0.00 C ATOM 108 CD LYS A 8 -4.004 -18.747 -1.124 1.00 0.00 C ATOM 109 CE LYS A 8 -5.480 -19.089 -1.336 1.00 0.00 C ATOM 110 NZ LYS A 8 -5.615 -20.353 -2.095 1.00 0.00 N ATOM 0 H LYS A 8 -2.998 -17.146 3.461 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.753 -17.267 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.134 -18.233 1.305 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.607 -16.547 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.646 -16.691 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.905 -16.896 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.460 -18.874 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.566 -19.439 -0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.980 -19.182 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.973 -18.280 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.623 -20.571 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.155 -20.252 -3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.162 -21.126 -1.566 1.00 0.00 H new ATOM 124 N GLU A 9 -1.615 -14.843 0.441 1.00 0.00 N ATOM 125 CA GLU A 9 -1.332 -13.422 0.341 1.00 0.00 C ATOM 126 C GLU A 9 -1.629 -12.919 -1.073 1.00 0.00 C ATOM 127 O GLU A 9 -1.468 -13.656 -2.044 1.00 0.00 O ATOM 128 CB GLU A 9 0.115 -13.122 0.737 1.00 0.00 C ATOM 129 CG GLU A 9 0.281 -13.129 2.258 1.00 0.00 C ATOM 130 CD GLU A 9 0.763 -14.495 2.750 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.979 -14.750 2.616 1.00 0.00 O ATOM 132 OE2 GLU A 9 -0.095 -15.254 3.250 1.00 0.00 O ATOM 0 H GLU A 9 -1.283 -15.400 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.982 -12.892 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.779 -13.863 0.292 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.410 -12.151 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.994 -12.360 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.669 -12.882 2.732 1.00 0.00 H new ATOM 139 N PRO A 10 -2.069 -11.634 -1.145 1.00 0.00 N ATOM 140 CA PRO A 10 -2.390 -11.024 -2.424 1.00 0.00 C ATOM 141 C PRO A 10 -1.119 -10.668 -3.197 1.00 0.00 C ATOM 142 O PRO A 10 -0.881 -11.194 -4.283 1.00 0.00 O ATOM 143 CB PRO A 10 -3.235 -9.808 -2.079 1.00 0.00 C ATOM 144 CG PRO A 10 -2.968 -9.518 -0.611 1.00 0.00 C ATOM 145 CD PRO A 10 -2.271 -10.731 -0.016 1.00 0.00 C ATOM 0 HA PRO A 10 -2.935 -11.697 -3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.964 -8.955 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.293 -10.006 -2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.346 -8.630 -0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.902 -9.318 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.323 -10.456 0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.880 -11.197 0.759 1.00 0.00 H new ATOM 153 N GLU A 11 -0.334 -9.779 -2.606 1.00 0.00 N ATOM 154 CA GLU A 11 0.907 -9.347 -3.225 1.00 0.00 C ATOM 155 C GLU A 11 0.651 -8.162 -4.159 1.00 0.00 C ATOM 156 O GLU A 11 1.009 -7.029 -3.841 1.00 0.00 O ATOM 157 CB GLU A 11 1.576 -10.501 -3.975 1.00 0.00 C ATOM 158 CG GLU A 11 1.462 -11.807 -3.186 1.00 0.00 C ATOM 159 CD GLU A 11 2.843 -12.418 -2.937 1.00 0.00 C ATOM 160 OE1 GLU A 11 3.458 -12.855 -3.933 1.00 0.00 O ATOM 161 OE2 GLU A 11 3.251 -12.434 -1.755 1.00 0.00 O ATOM 0 H GLU A 11 -0.534 -9.346 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 11 1.589 -9.024 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.111 -10.621 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.626 -10.267 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.966 -11.619 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.840 -12.515 -3.735 1.00 0.00 H new ATOM 168 N ILE A 12 0.032 -8.464 -5.291 1.00 0.00 N ATOM 169 CA ILE A 12 -0.276 -7.438 -6.272 1.00 0.00 C ATOM 170 C ILE A 12 -1.759 -7.074 -6.174 1.00 0.00 C ATOM 171 O ILE A 12 -2.620 -7.840 -6.603 1.00 0.00 O ATOM 172 CB ILE A 12 0.156 -7.886 -7.670 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.154 -6.709 -8.648 1.00 0.00 C ATOM 174 CG2 ILE A 12 -0.710 -9.046 -8.166 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.399 -6.732 -9.537 1.00 0.00 C ATOM 0 H ILE A 12 -0.264 -9.405 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 12 0.290 -6.530 -6.064 1.00 0.00 H new ATOM 0 HB ILE A 12 1.181 -8.253 -7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.741 -6.749 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.116 -5.771 -8.094 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.382 -9.345 -9.162 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.613 -9.890 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.752 -8.730 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.372 -5.885 -10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.292 -6.667 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.421 -7.660 -10.108 1.00 0.00 H new ATOM 187 N ILE A 13 -2.012 -5.904 -5.606 1.00 0.00 N ATOM 188 CA ILE A 13 -3.375 -5.429 -5.446 1.00 0.00 C ATOM 189 C ILE A 13 -3.604 -4.229 -6.368 1.00 0.00 C ATOM 190 O ILE A 13 -2.820 -3.281 -6.366 1.00 0.00 O ATOM 191 CB ILE A 13 -3.673 -5.139 -3.974 1.00 0.00 C ATOM 192 CG1 ILE A 13 -3.922 -6.434 -3.199 1.00 0.00 C ATOM 193 CG2 ILE A 13 -4.835 -4.153 -3.833 1.00 0.00 C ATOM 194 CD1 ILE A 13 -4.404 -6.139 -1.777 1.00 0.00 C ATOM 0 H ILE A 13 -1.295 -5.271 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.084 -6.201 -5.744 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.795 -4.666 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.665 -7.037 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.005 -7.021 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.026 -3.964 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.580 -3.216 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.728 -4.575 -4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.573 -7.077 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.648 -5.557 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.334 -5.573 -1.818 1.00 0.00 H new ATOM 206 N THR A 14 -4.683 -4.308 -7.133 1.00 0.00 N ATOM 207 CA THR A 14 -5.025 -3.241 -8.058 1.00 0.00 C ATOM 208 C THR A 14 -6.544 -3.085 -8.154 1.00 0.00 C ATOM 209 O THR A 14 -7.264 -4.069 -8.316 1.00 0.00 O ATOM 210 CB THR A 14 -4.360 -3.547 -9.401 1.00 0.00 C ATOM 211 OG1 THR A 14 -5.122 -2.800 -10.345 1.00 0.00 O ATOM 212 CG2 THR A 14 -4.555 -5.002 -9.833 1.00 0.00 C ATOM 0 H THR A 14 -5.332 -5.095 -7.131 1.00 0.00 H new ATOM 0 HA THR A 14 -4.652 -2.279 -7.707 1.00 0.00 H new ATOM 0 HB THR A 14 -3.294 -3.327 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.757 -2.940 -11.244 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.064 -5.166 -10.792 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.121 -5.665 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.620 -5.213 -9.930 1.00 0.00 H new ATOM 220 N VAL A 15 -6.986 -1.840 -8.049 1.00 0.00 N ATOM 221 CA VAL A 15 -8.406 -1.542 -8.122 1.00 0.00 C ATOM 222 C VAL A 15 -8.600 -0.139 -8.701 1.00 0.00 C ATOM 223 O VAL A 15 -7.786 0.752 -8.463 1.00 0.00 O ATOM 224 CB VAL A 15 -9.048 -1.714 -6.744 1.00 0.00 C ATOM 225 CG1 VAL A 15 -8.714 -0.532 -5.832 1.00 0.00 C ATOM 226 CG2 VAL A 15 -10.562 -1.902 -6.863 1.00 0.00 C ATOM 0 H VAL A 15 -6.386 -1.026 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.909 -2.241 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.633 -2.615 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.183 -0.679 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.633 -0.462 -5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.088 0.389 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.993 -2.022 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.000 -1.028 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.773 -2.790 -7.459 1.00 0.00 H new ATOM 236 N THR A 16 -9.682 0.013 -9.450 1.00 0.00 N ATOM 237 CA THR A 16 -9.992 1.292 -10.065 1.00 0.00 C ATOM 238 C THR A 16 -10.487 2.284 -9.011 1.00 0.00 C ATOM 239 O THR A 16 -11.571 2.115 -8.454 1.00 0.00 O ATOM 240 CB THR A 16 -11.002 1.045 -11.188 1.00 0.00 C ATOM 241 OG1 THR A 16 -12.095 0.403 -10.537 1.00 0.00 O ATOM 242 CG2 THR A 16 -10.510 0.007 -12.199 1.00 0.00 C ATOM 0 H THR A 16 -10.355 -0.728 -9.645 1.00 0.00 H new ATOM 0 HA THR A 16 -9.103 1.746 -10.502 1.00 0.00 H new ATOM 0 HB THR A 16 -11.210 1.983 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.205 0.776 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.263 -0.131 -12.975 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.581 0.353 -12.653 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.334 -0.941 -11.691 1.00 0.00 H new ATOM 250 N LEU A 17 -9.670 3.298 -8.769 1.00 0.00 N ATOM 251 CA LEU A 17 -10.011 4.318 -7.791 1.00 0.00 C ATOM 252 C LEU A 17 -11.211 5.122 -8.297 1.00 0.00 C ATOM 253 O LEU A 17 -12.054 4.596 -9.021 1.00 0.00 O ATOM 254 CB LEU A 17 -8.788 5.178 -7.465 1.00 0.00 C ATOM 255 CG LEU A 17 -8.770 5.819 -6.076 1.00 0.00 C ATOM 256 CD1 LEU A 17 -8.594 7.335 -6.174 1.00 0.00 C ATOM 257 CD2 LEU A 17 -10.020 5.437 -5.280 1.00 0.00 C ATOM 0 H LEU A 17 -8.772 3.436 -9.233 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.309 3.858 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.896 4.561 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.717 5.970 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.910 5.430 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.585 7.766 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.652 7.560 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.419 7.761 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.982 5.906 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.908 5.779 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.061 4.354 -5.164 1.00 0.00 H new ATOM 269 N LYS A 18 -11.249 6.384 -7.895 1.00 0.00 N ATOM 270 CA LYS A 18 -12.331 7.265 -8.298 1.00 0.00 C ATOM 271 C LYS A 18 -13.658 6.704 -7.785 1.00 0.00 C ATOM 272 O LYS A 18 -14.727 7.159 -8.189 1.00 0.00 O ATOM 273 CB LYS A 18 -12.303 7.491 -9.811 1.00 0.00 C ATOM 274 CG LYS A 18 -13.256 8.618 -10.214 1.00 0.00 C ATOM 275 CD LYS A 18 -14.401 8.084 -11.077 1.00 0.00 C ATOM 276 CE LYS A 18 -15.363 9.208 -11.468 1.00 0.00 C ATOM 277 NZ LYS A 18 -16.471 9.305 -10.492 1.00 0.00 N ATOM 0 H LYS A 18 -10.548 6.817 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.206 8.251 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.289 7.737 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.583 6.572 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.660 9.094 -9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.708 9.384 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.997 7.617 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.942 7.311 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.826 10.155 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.764 9.022 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.114 10.073 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.994 8.406 -10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.085 9.505 -9.547 1.00 0.00 H new ATOM 291 N LYS A 19 -13.547 5.722 -6.901 1.00 0.00 N ATOM 292 CA LYS A 19 -14.725 5.094 -6.329 1.00 0.00 C ATOM 293 C LYS A 19 -15.462 6.106 -5.450 1.00 0.00 C ATOM 294 O LYS A 19 -16.245 6.913 -5.949 1.00 0.00 O ATOM 295 CB LYS A 19 -14.343 3.807 -5.595 1.00 0.00 C ATOM 296 CG LYS A 19 -13.683 2.808 -6.548 1.00 0.00 C ATOM 297 CD LYS A 19 -13.429 1.470 -5.850 1.00 0.00 C ATOM 298 CE LYS A 19 -14.374 0.388 -6.377 1.00 0.00 C ATOM 299 NZ LYS A 19 -13.607 -0.697 -7.028 1.00 0.00 N ATOM 0 H LYS A 19 -12.659 5.347 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.415 4.792 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.661 4.039 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.232 3.359 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.322 2.653 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.741 3.216 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.395 1.164 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.566 1.585 -4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.965 -0.018 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.075 0.824 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.264 -1.353 -7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.960 -0.290 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.057 -1.212 -6.311 1.00 0.00 H new ATOM 313 N GLN A 20 -15.186 6.031 -4.156 1.00 0.00 N ATOM 314 CA GLN A 20 -15.813 6.931 -3.204 1.00 0.00 C ATOM 315 C GLN A 20 -15.271 8.351 -3.379 1.00 0.00 C ATOM 316 O GLN A 20 -16.001 9.325 -3.197 1.00 0.00 O ATOM 317 CB GLN A 20 -15.609 6.440 -1.769 1.00 0.00 C ATOM 318 CG GLN A 20 -16.917 5.909 -1.180 1.00 0.00 C ATOM 319 CD GLN A 20 -17.277 6.647 0.111 1.00 0.00 C ATOM 320 OE1 GLN A 20 -16.604 6.228 1.179 1.00 0.00 O flip ATOM 321 NE2 GLN A 20 -18.110 7.538 0.135 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.536 5.361 -3.745 1.00 0.00 H new ATOM 0 HA GLN A 20 -16.885 6.945 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.854 5.654 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.233 7.256 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.721 6.026 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.823 4.842 -0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.590 7.810 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.326 8.010 1.013 1.00 0.00 H new ATOM 330 N ASN A 21 -13.996 8.425 -3.731 1.00 0.00 N ATOM 331 CA ASN A 21 -13.348 9.709 -3.933 1.00 0.00 C ATOM 332 C ASN A 21 -11.832 9.534 -3.826 1.00 0.00 C ATOM 333 O ASN A 21 -11.073 10.234 -4.495 1.00 0.00 O ATOM 334 CB ASN A 21 -13.783 10.719 -2.869 1.00 0.00 C ATOM 335 CG ASN A 21 -14.708 11.781 -3.467 1.00 0.00 C ATOM 336 OD1 ASN A 21 -14.434 12.370 -4.500 1.00 0.00 O ATOM 337 ND2 ASN A 21 -15.816 11.993 -2.762 1.00 0.00 N ATOM 0 H ASN A 21 -13.394 7.615 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.632 10.078 -4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.295 10.201 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -12.905 11.198 -2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.497 12.683 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.984 11.465 -1.905 1.00 0.00 H new ATOM 344 N GLY A 22 -11.435 8.595 -2.979 1.00 0.00 N ATOM 345 CA GLY A 22 -10.024 8.318 -2.775 1.00 0.00 C ATOM 346 C GLY A 22 -9.812 6.889 -2.272 1.00 0.00 C ATOM 347 O GLY A 22 -10.692 6.041 -2.411 1.00 0.00 O ATOM 0 H GLY A 22 -12.067 8.016 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.483 8.462 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.611 9.025 -2.056 1.00 0.00 H new ATOM 351 N MET A 23 -8.639 6.666 -1.696 1.00 0.00 N ATOM 352 CA MET A 23 -8.301 5.355 -1.171 1.00 0.00 C ATOM 353 C MET A 23 -8.531 5.293 0.340 1.00 0.00 C ATOM 354 O MET A 23 -8.478 4.218 0.936 1.00 0.00 O ATOM 355 CB MET A 23 -6.834 5.045 -1.478 1.00 0.00 C ATOM 356 CG MET A 23 -5.916 6.137 -0.927 1.00 0.00 C ATOM 357 SD MET A 23 -4.208 5.662 -1.135 1.00 0.00 S ATOM 358 CE MET A 23 -4.021 5.942 -2.888 1.00 0.00 C ATOM 0 H MET A 23 -7.912 7.372 -1.582 1.00 0.00 H new ATOM 0 HA MET A 23 -8.945 4.616 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.563 4.083 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.695 4.958 -2.556 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.106 7.078 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.129 6.304 0.129 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.990 5.744 -3.180 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.687 5.276 -3.436 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.272 6.977 -3.120 1.00 0.00 H new ATOM 368 N GLY A 24 -8.780 6.460 0.917 1.00 0.00 N ATOM 369 CA GLY A 24 -9.018 6.552 2.347 1.00 0.00 C ATOM 370 C GLY A 24 -8.312 5.419 3.095 1.00 0.00 C ATOM 371 O GLY A 24 -8.964 4.578 3.712 1.00 0.00 O ATOM 0 H GLY A 24 -8.822 7.349 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.663 7.514 2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.089 6.511 2.544 1.00 0.00 H new ATOM 375 N LEU A 25 -6.990 5.433 3.014 1.00 0.00 N ATOM 376 CA LEU A 25 -6.189 4.417 3.675 1.00 0.00 C ATOM 377 C LEU A 25 -5.240 5.090 4.670 1.00 0.00 C ATOM 378 O LEU A 25 -4.624 6.106 4.355 1.00 0.00 O ATOM 379 CB LEU A 25 -5.477 3.541 2.643 1.00 0.00 C ATOM 380 CG LEU A 25 -4.754 2.309 3.193 1.00 0.00 C ATOM 381 CD1 LEU A 25 -3.437 2.701 3.864 1.00 0.00 C ATOM 382 CD2 LEU A 25 -5.663 1.515 4.133 1.00 0.00 C ATOM 0 H LEU A 25 -6.453 6.132 2.501 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.826 3.742 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.211 3.209 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.751 4.157 2.112 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.507 1.655 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.943 1.808 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.789 3.190 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.638 3.385 4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.125 0.645 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.963 2.147 4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.550 1.187 3.591 1.00 0.00 H new ATOM 394 N SER A 26 -5.154 4.494 5.851 1.00 0.00 N ATOM 395 CA SER A 26 -4.291 5.023 6.893 1.00 0.00 C ATOM 396 C SER A 26 -3.047 4.144 7.039 1.00 0.00 C ATOM 397 O SER A 26 -3.127 3.028 7.551 1.00 0.00 O ATOM 398 CB SER A 26 -5.034 5.117 8.228 1.00 0.00 C ATOM 399 OG SER A 26 -4.207 5.642 9.263 1.00 0.00 O ATOM 0 H SER A 26 -5.667 3.651 6.109 1.00 0.00 H new ATOM 0 HA SER A 26 -3.985 6.029 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.913 5.750 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.390 4.128 8.515 1.00 0.00 H new ATOM 0 HG SER A 26 -4.718 5.688 10.098 1.00 0.00 H new ATOM 405 N ILE A 27 -1.926 4.680 6.579 1.00 0.00 N ATOM 406 CA ILE A 27 -0.667 3.958 6.652 1.00 0.00 C ATOM 407 C ILE A 27 0.114 4.425 7.882 1.00 0.00 C ATOM 408 O ILE A 27 -0.301 5.359 8.567 1.00 0.00 O ATOM 409 CB ILE A 27 0.109 4.100 5.341 1.00 0.00 C ATOM 410 CG1 ILE A 27 0.721 5.496 5.214 1.00 0.00 C ATOM 411 CG2 ILE A 27 -0.774 3.751 4.141 1.00 0.00 C ATOM 412 CD1 ILE A 27 1.659 5.577 4.008 1.00 0.00 C ATOM 0 H ILE A 27 -1.863 5.605 6.155 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.847 2.890 6.775 1.00 0.00 H new ATOM 0 HB ILE A 27 0.933 3.387 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.072 6.237 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.270 5.740 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.198 3.860 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.121 2.722 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.632 4.422 4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.080 6.580 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.465 4.852 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.101 5.357 3.098 1.00 0.00 H new ATOM 424 N VAL A 28 1.231 3.755 8.124 1.00 0.00 N ATOM 425 CA VAL A 28 2.073 4.090 9.259 1.00 0.00 C ATOM 426 C VAL A 28 3.503 3.619 8.985 1.00 0.00 C ATOM 427 O VAL A 28 3.750 2.422 8.843 1.00 0.00 O ATOM 428 CB VAL A 28 1.484 3.498 10.541 1.00 0.00 C ATOM 429 CG1 VAL A 28 0.298 4.328 11.034 1.00 0.00 C ATOM 430 CG2 VAL A 28 1.083 2.036 10.335 1.00 0.00 C ATOM 0 H VAL A 28 1.572 2.982 7.553 1.00 0.00 H new ATOM 0 HA VAL A 28 2.108 5.170 9.402 1.00 0.00 H new ATOM 0 HB VAL A 28 2.256 3.529 11.310 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.102 3.885 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.627 5.347 11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.478 4.344 10.269 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.667 1.639 11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.335 1.972 9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.960 1.454 10.052 1.00 0.00 H new ATOM 440 N ALA A 29 4.408 4.585 8.917 1.00 0.00 N ATOM 441 CA ALA A 29 5.806 4.284 8.662 1.00 0.00 C ATOM 442 C ALA A 29 6.532 5.565 8.247 1.00 0.00 C ATOM 443 O ALA A 29 5.972 6.657 8.336 1.00 0.00 O ATOM 444 CB ALA A 29 5.907 3.186 7.601 1.00 0.00 C ATOM 0 H ALA A 29 4.200 5.577 9.034 1.00 0.00 H new ATOM 0 HA ALA A 29 6.289 3.910 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.956 2.960 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.402 2.288 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.435 3.526 6.679 1.00 0.00 H new ATOM 450 N ALA A 30 7.767 5.390 7.801 1.00 0.00 N ATOM 451 CA ALA A 30 8.575 6.518 7.372 1.00 0.00 C ATOM 452 C ALA A 30 10.044 6.094 7.309 1.00 0.00 C ATOM 453 O ALA A 30 10.576 5.542 8.270 1.00 0.00 O ATOM 454 CB ALA A 30 8.349 7.698 8.320 1.00 0.00 C ATOM 0 H ALA A 30 8.228 4.483 7.727 1.00 0.00 H new ATOM 0 HA ALA A 30 8.282 6.841 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.955 8.545 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.296 7.980 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.634 7.411 9.332 1.00 0.00 H new ATOM 460 N LYS A 31 10.657 6.368 6.166 1.00 0.00 N ATOM 461 CA LYS A 31 12.053 6.021 5.965 1.00 0.00 C ATOM 462 C LYS A 31 12.937 7.136 6.529 1.00 0.00 C ATOM 463 O LYS A 31 13.014 8.222 5.956 1.00 0.00 O ATOM 464 CB LYS A 31 12.321 5.711 4.491 1.00 0.00 C ATOM 465 CG LYS A 31 12.023 6.926 3.611 1.00 0.00 C ATOM 466 CD LYS A 31 13.202 7.236 2.686 1.00 0.00 C ATOM 467 CE LYS A 31 14.063 8.366 3.254 1.00 0.00 C ATOM 468 NZ LYS A 31 13.293 9.630 3.302 1.00 0.00 N ATOM 0 H LYS A 31 10.212 6.826 5.371 1.00 0.00 H new ATOM 0 HA LYS A 31 12.301 5.110 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.361 5.411 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.705 4.869 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.129 6.738 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.812 7.791 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.811 6.341 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.831 7.517 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.405 8.103 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.953 8.498 2.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.936 10.434 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.568 9.624 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.833 9.721 4.230 1.00 0.00 H new ATOM 482 N GLY A 32 13.582 6.829 7.645 1.00 0.00 N ATOM 483 CA GLY A 32 14.458 7.791 8.292 1.00 0.00 C ATOM 484 C GLY A 32 14.639 7.456 9.774 1.00 0.00 C ATOM 485 O GLY A 32 13.848 6.708 10.347 1.00 0.00 O ATOM 0 H GLY A 32 13.515 5.928 8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.428 7.796 7.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 14.042 8.793 8.190 1.00 0.00 H new ATOM 489 N ALA A 33 15.685 8.027 10.353 1.00 0.00 N ATOM 490 CA ALA A 33 15.980 7.799 11.758 1.00 0.00 C ATOM 491 C ALA A 33 16.090 6.295 12.013 1.00 0.00 C ATOM 492 O ALA A 33 15.660 5.806 13.057 1.00 0.00 O ATOM 493 CB ALA A 33 14.901 8.460 12.620 1.00 0.00 C ATOM 0 H ALA A 33 16.339 8.647 9.875 1.00 0.00 H new ATOM 0 HA ALA A 33 16.935 8.250 12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.122 8.289 13.674 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.883 9.532 12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.929 8.030 12.379 1.00 0.00 H new ATOM 499 N GLY A 34 16.670 5.603 11.043 1.00 0.00 N ATOM 500 CA GLY A 34 16.842 4.164 11.150 1.00 0.00 C ATOM 501 C GLY A 34 17.850 3.655 10.118 1.00 0.00 C ATOM 502 O GLY A 34 19.023 3.460 10.434 1.00 0.00 O ATOM 0 H GLY A 34 17.027 6.012 10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.183 3.908 12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.883 3.667 11.003 1.00 0.00 H new ATOM 506 N GLN A 35 17.356 3.454 8.905 1.00 0.00 N ATOM 507 CA GLN A 35 18.199 2.971 7.825 1.00 0.00 C ATOM 508 C GLN A 35 17.701 3.510 6.482 1.00 0.00 C ATOM 509 O GLN A 35 17.871 2.864 5.449 1.00 0.00 O ATOM 510 CB GLN A 35 18.256 1.442 7.815 1.00 0.00 C ATOM 511 CG GLN A 35 19.661 0.947 7.466 1.00 0.00 C ATOM 512 CD GLN A 35 19.806 -0.547 7.764 1.00 0.00 C ATOM 513 OE1 GLN A 35 19.573 -1.399 6.923 1.00 0.00 O ATOM 514 NE2 GLN A 35 20.202 -0.815 9.005 1.00 0.00 N ATOM 0 H GLN A 35 16.383 3.617 8.647 1.00 0.00 H new ATOM 0 HA GLN A 35 19.212 3.338 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.964 1.057 8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.539 1.053 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.864 1.132 6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.401 1.509 8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.380 -0.053 9.659 1.00 0.00 H new ATOM 0 HE22 GLN A 35 20.328 -1.783 9.302 1.00 0.00 H new ATOM 523 N ASP A 36 17.097 4.687 6.540 1.00 0.00 N ATOM 524 CA ASP A 36 16.574 5.320 5.342 1.00 0.00 C ATOM 525 C ASP A 36 15.532 4.403 4.699 1.00 0.00 C ATOM 526 O ASP A 36 15.479 4.278 3.476 1.00 0.00 O ATOM 527 CB ASP A 36 17.684 5.565 4.318 1.00 0.00 C ATOM 528 CG ASP A 36 18.110 7.026 4.162 1.00 0.00 C ATOM 529 OD1 ASP A 36 17.310 7.896 4.568 1.00 0.00 O ATOM 530 OD2 ASP A 36 19.226 7.239 3.640 1.00 0.00 O ATOM 0 H ASP A 36 16.958 5.219 7.399 1.00 0.00 H new ATOM 0 HA ASP A 36 16.133 6.274 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 36 18.556 4.977 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.351 5.194 3.349 1.00 0.00 H new ATOM 535 N LYS A 37 14.729 3.783 5.552 1.00 0.00 N ATOM 536 CA LYS A 37 13.692 2.880 5.082 1.00 0.00 C ATOM 537 C LYS A 37 12.927 2.320 6.284 1.00 0.00 C ATOM 538 O LYS A 37 13.518 2.049 7.328 1.00 0.00 O ATOM 539 CB LYS A 37 14.290 1.802 4.177 1.00 0.00 C ATOM 540 CG LYS A 37 15.386 1.021 4.904 1.00 0.00 C ATOM 541 CD LYS A 37 16.237 0.221 3.916 1.00 0.00 C ATOM 542 CE LYS A 37 17.028 -0.874 4.635 1.00 0.00 C ATOM 543 NZ LYS A 37 16.124 -1.960 5.077 1.00 0.00 N ATOM 0 H LYS A 37 14.776 3.888 6.565 1.00 0.00 H new ATOM 0 HA LYS A 37 12.970 3.416 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.505 1.118 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.702 2.263 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.021 1.711 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.935 0.346 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.595 -0.227 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.924 0.890 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.791 -1.276 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.546 -0.451 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.677 -2.824 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.644 -1.677 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.415 -2.143 4.339 1.00 0.00 H new ATOM 557 N LEU A 38 11.625 2.164 6.095 1.00 0.00 N ATOM 558 CA LEU A 38 10.774 1.641 7.150 1.00 0.00 C ATOM 559 C LEU A 38 9.755 0.673 6.545 1.00 0.00 C ATOM 560 O LEU A 38 9.382 0.807 5.380 1.00 0.00 O ATOM 561 CB LEU A 38 10.139 2.786 7.943 1.00 0.00 C ATOM 562 CG LEU A 38 10.781 3.100 9.296 1.00 0.00 C ATOM 563 CD1 LEU A 38 12.156 3.745 9.114 1.00 0.00 C ATOM 564 CD2 LEU A 38 9.853 3.962 10.155 1.00 0.00 C ATOM 0 H LEU A 38 11.139 2.391 5.227 1.00 0.00 H new ATOM 0 HA LEU A 38 11.364 1.074 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.170 3.687 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.088 2.549 8.108 1.00 0.00 H new ATOM 0 HG LEU A 38 10.934 2.161 9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.590 3.958 10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.808 3.063 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.051 4.674 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.332 4.171 11.111 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.647 4.900 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.918 3.430 10.327 1.00 0.00 H new ATOM 576 N GLY A 39 9.333 -0.280 7.363 1.00 0.00 N ATOM 577 CA GLY A 39 8.365 -1.269 6.923 1.00 0.00 C ATOM 578 C GLY A 39 6.972 -0.651 6.788 1.00 0.00 C ATOM 579 O GLY A 39 6.130 -0.810 7.670 1.00 0.00 O ATOM 0 H GLY A 39 9.644 -0.388 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.676 -1.686 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.333 -2.094 7.635 1.00 0.00 H new ATOM 583 N ILE A 40 6.772 0.041 5.676 1.00 0.00 N ATOM 584 CA ILE A 40 5.495 0.684 5.414 1.00 0.00 C ATOM 585 C ILE A 40 4.363 -0.299 5.717 1.00 0.00 C ATOM 586 O ILE A 40 4.189 -1.289 5.008 1.00 0.00 O ATOM 587 CB ILE A 40 5.460 1.244 3.991 1.00 0.00 C ATOM 588 CG1 ILE A 40 6.422 2.425 3.842 1.00 0.00 C ATOM 589 CG2 ILE A 40 4.032 1.613 3.582 1.00 0.00 C ATOM 590 CD1 ILE A 40 6.344 3.022 2.435 1.00 0.00 C ATOM 0 H ILE A 40 7.473 0.171 4.946 1.00 0.00 H new ATOM 0 HA ILE A 40 5.357 1.542 6.072 1.00 0.00 H new ATOM 0 HB ILE A 40 5.799 0.464 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.181 3.190 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.441 2.096 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.035 2.009 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.401 0.725 3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.642 2.368 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.037 3.859 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.609 2.261 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.329 3.372 2.244 1.00 0.00 H new ATOM 602 N TYR A 41 3.621 0.009 6.771 1.00 0.00 N ATOM 603 CA TYR A 41 2.510 -0.835 7.176 1.00 0.00 C ATOM 604 C TYR A 41 1.240 -0.007 7.383 1.00 0.00 C ATOM 605 O TYR A 41 1.296 1.098 7.920 1.00 0.00 O ATOM 606 CB TYR A 41 2.920 -1.461 8.510 1.00 0.00 C ATOM 607 CG TYR A 41 2.806 -2.986 8.544 1.00 0.00 C ATOM 608 CD1 TYR A 41 3.506 -3.751 7.633 1.00 0.00 C ATOM 609 CD2 TYR A 41 2.002 -3.597 9.485 1.00 0.00 C ATOM 610 CE1 TYR A 41 3.398 -5.186 7.664 1.00 0.00 C ATOM 611 CE2 TYR A 41 1.895 -5.033 9.516 1.00 0.00 C ATOM 612 CZ TYR A 41 2.598 -5.757 8.605 1.00 0.00 C ATOM 613 OH TYR A 41 2.497 -7.112 8.634 1.00 0.00 O ATOM 0 H TYR A 41 3.768 0.831 7.356 1.00 0.00 H new ATOM 0 HA TYR A 41 2.297 -1.583 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.950 -1.179 8.730 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.298 -1.043 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.135 -3.273 6.897 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.454 -2.999 10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.940 -5.796 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.270 -5.524 10.247 1.00 0.00 H new ATOM 0 HH TYR A 41 1.893 -7.380 9.358 1.00 0.00 H new ATOM 623 N VAL A 42 0.125 -0.574 6.946 1.00 0.00 N ATOM 624 CA VAL A 42 -1.157 0.098 7.077 1.00 0.00 C ATOM 625 C VAL A 42 -1.633 0.000 8.528 1.00 0.00 C ATOM 626 O VAL A 42 -1.627 -1.080 9.116 1.00 0.00 O ATOM 627 CB VAL A 42 -2.159 -0.487 6.079 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.570 0.041 6.345 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.729 -0.199 4.639 1.00 0.00 C ATOM 0 H VAL A 42 0.083 -1.491 6.501 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.059 1.157 6.837 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.175 -1.568 6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.262 -0.390 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.878 -0.237 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.576 1.127 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.458 -0.625 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.671 0.879 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.752 -0.645 4.455 1.00 0.00 H new ATOM 639 N LYS A 43 -2.035 1.144 9.063 1.00 0.00 N ATOM 640 CA LYS A 43 -2.513 1.201 10.434 1.00 0.00 C ATOM 641 C LYS A 43 -4.030 0.999 10.449 1.00 0.00 C ATOM 642 O LYS A 43 -4.574 0.427 11.392 1.00 0.00 O ATOM 643 CB LYS A 43 -2.059 2.498 11.106 1.00 0.00 C ATOM 644 CG LYS A 43 -2.756 2.690 12.455 1.00 0.00 C ATOM 645 CD LYS A 43 -3.528 4.010 12.491 1.00 0.00 C ATOM 646 CE LYS A 43 -4.162 4.238 13.864 1.00 0.00 C ATOM 647 NZ LYS A 43 -5.621 3.993 13.808 1.00 0.00 N ATOM 0 H LYS A 43 -2.039 2.038 8.572 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.077 0.394 11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.979 2.478 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.278 3.345 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.439 1.860 12.637 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.017 2.675 13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.856 4.835 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.304 4.003 11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.704 3.575 14.598 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.971 5.259 14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.036 4.152 14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.056 4.643 13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.797 3.011 13.514 1.00 0.00 H new ATOM 661 N SER A 44 -4.669 1.480 9.393 1.00 0.00 N ATOM 662 CA SER A 44 -6.112 1.359 9.273 1.00 0.00 C ATOM 663 C SER A 44 -6.579 1.957 7.944 1.00 0.00 C ATOM 664 O SER A 44 -5.773 2.177 7.041 1.00 0.00 O ATOM 665 CB SER A 44 -6.822 2.046 10.442 1.00 0.00 C ATOM 666 OG SER A 44 -6.749 3.466 10.351 1.00 0.00 O ATOM 0 H SER A 44 -4.214 1.954 8.613 1.00 0.00 H new ATOM 0 HA SER A 44 -6.369 0.300 9.298 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.867 1.737 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.374 1.719 11.381 1.00 0.00 H new ATOM 0 HG SER A 44 -7.215 3.867 11.114 1.00 0.00 H new ATOM 672 N VAL A 45 -7.878 2.204 7.867 1.00 0.00 N ATOM 673 CA VAL A 45 -8.462 2.772 6.663 1.00 0.00 C ATOM 674 C VAL A 45 -9.363 3.948 7.045 1.00 0.00 C ATOM 675 O VAL A 45 -10.086 3.883 8.038 1.00 0.00 O ATOM 676 CB VAL A 45 -9.197 1.686 5.875 1.00 0.00 C ATOM 677 CG1 VAL A 45 -8.962 1.845 4.372 1.00 0.00 C ATOM 678 CG2 VAL A 45 -8.786 0.291 6.350 1.00 0.00 C ATOM 0 H VAL A 45 -8.543 2.021 8.618 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.683 3.159 6.006 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.265 1.802 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.495 1.060 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.327 2.819 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.895 1.769 4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.323 -0.462 5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.713 0.160 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.029 0.180 7.407 1.00 0.00 H new ATOM 688 N VAL A 46 -9.290 4.995 6.236 1.00 0.00 N ATOM 689 CA VAL A 46 -10.091 6.183 6.476 1.00 0.00 C ATOM 690 C VAL A 46 -11.566 5.788 6.575 1.00 0.00 C ATOM 691 O VAL A 46 -12.388 6.563 7.061 1.00 0.00 O ATOM 692 CB VAL A 46 -9.822 7.224 5.387 1.00 0.00 C ATOM 693 CG1 VAL A 46 -10.983 8.215 5.279 1.00 0.00 C ATOM 694 CG2 VAL A 46 -8.500 7.952 5.638 1.00 0.00 C ATOM 0 H VAL A 46 -8.688 5.045 5.414 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.815 6.645 7.424 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.739 6.700 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.767 8.944 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.898 7.678 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.112 8.730 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.333 8.686 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.541 8.458 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.683 7.231 5.641 1.00 0.00 H new ATOM 704 N LYS A 47 -11.855 4.583 6.107 1.00 0.00 N ATOM 705 CA LYS A 47 -13.216 4.076 6.137 1.00 0.00 C ATOM 706 C LYS A 47 -14.116 4.993 5.306 1.00 0.00 C ATOM 707 O LYS A 47 -15.244 5.286 5.701 1.00 0.00 O ATOM 708 CB LYS A 47 -13.689 3.893 7.580 1.00 0.00 C ATOM 709 CG LYS A 47 -14.477 2.591 7.739 1.00 0.00 C ATOM 710 CD LYS A 47 -15.207 2.552 9.083 1.00 0.00 C ATOM 711 CE LYS A 47 -16.449 3.444 9.059 1.00 0.00 C ATOM 712 NZ LYS A 47 -17.650 2.651 8.711 1.00 0.00 N ATOM 0 H LYS A 47 -11.170 3.943 5.705 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.263 3.086 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.829 3.886 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.313 4.738 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.198 2.497 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.800 1.740 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.496 1.527 9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -14.535 2.880 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.586 3.914 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.313 4.247 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.484 3.272 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.523 2.223 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.787 1.900 9.418 1.00 0.00 H new ATOM 726 N GLY A 48 -13.584 5.422 4.171 1.00 0.00 N ATOM 727 CA GLY A 48 -14.325 6.301 3.282 1.00 0.00 C ATOM 728 C GLY A 48 -13.641 6.403 1.918 1.00 0.00 C ATOM 729 O GLY A 48 -13.771 7.413 1.228 1.00 0.00 O ATOM 0 H GLY A 48 -12.649 5.177 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.341 5.925 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.405 7.292 3.728 1.00 0.00 H new ATOM 733 N GLY A 49 -12.926 5.344 1.569 1.00 0.00 N ATOM 734 CA GLY A 49 -12.221 5.302 0.299 1.00 0.00 C ATOM 735 C GLY A 49 -12.287 3.904 -0.320 1.00 0.00 C ATOM 736 O GLY A 49 -12.543 2.924 0.378 1.00 0.00 O ATOM 0 H GLY A 49 -12.820 4.508 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.657 6.028 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.180 5.589 0.447 1.00 0.00 H new ATOM 740 N ALA A 50 -12.053 3.857 -1.623 1.00 0.00 N ATOM 741 CA ALA A 50 -12.083 2.595 -2.343 1.00 0.00 C ATOM 742 C ALA A 50 -11.442 1.505 -1.482 1.00 0.00 C ATOM 743 O ALA A 50 -11.881 0.356 -1.500 1.00 0.00 O ATOM 744 CB ALA A 50 -11.381 2.760 -3.692 1.00 0.00 C ATOM 0 H ALA A 50 -11.842 4.672 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.111 2.293 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.403 1.813 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.893 3.524 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.346 3.060 -3.529 1.00 0.00 H new ATOM 750 N ALA A 51 -10.414 1.905 -0.747 1.00 0.00 N ATOM 751 CA ALA A 51 -9.708 0.976 0.119 1.00 0.00 C ATOM 752 C ALA A 51 -10.711 0.288 1.047 1.00 0.00 C ATOM 753 O ALA A 51 -11.078 -0.865 0.826 1.00 0.00 O ATOM 754 CB ALA A 51 -8.619 1.725 0.890 1.00 0.00 C ATOM 0 H ALA A 51 -10.054 2.859 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.217 0.200 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.089 1.029 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.916 2.171 0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.075 2.510 1.494 1.00 0.00 H new ATOM 760 N ASP A 52 -11.127 1.025 2.067 1.00 0.00 N ATOM 761 CA ASP A 52 -12.080 0.500 3.030 1.00 0.00 C ATOM 762 C ASP A 52 -13.427 0.279 2.339 1.00 0.00 C ATOM 763 O ASP A 52 -14.342 -0.299 2.924 1.00 0.00 O ATOM 764 CB ASP A 52 -12.297 1.483 4.182 1.00 0.00 C ATOM 765 CG ASP A 52 -12.855 0.863 5.465 1.00 0.00 C ATOM 766 OD1 ASP A 52 -14.095 0.717 5.531 1.00 0.00 O ATOM 767 OD2 ASP A 52 -12.030 0.549 6.349 1.00 0.00 O ATOM 0 H ASP A 52 -10.821 1.981 2.247 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.681 -0.435 3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.347 1.965 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.978 2.266 3.848 1.00 0.00 H new ATOM 772 N VAL A 53 -13.506 0.749 1.103 1.00 0.00 N ATOM 773 CA VAL A 53 -14.726 0.610 0.325 1.00 0.00 C ATOM 774 C VAL A 53 -14.688 -0.714 -0.440 1.00 0.00 C ATOM 775 O VAL A 53 -15.730 -1.317 -0.697 1.00 0.00 O ATOM 776 CB VAL A 53 -14.906 1.824 -0.588 1.00 0.00 C ATOM 777 CG1 VAL A 53 -15.319 1.393 -1.997 1.00 0.00 C ATOM 778 CG2 VAL A 53 -15.916 2.809 0.002 1.00 0.00 C ATOM 0 H VAL A 53 -12.745 1.227 0.621 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.597 0.582 0.980 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.945 2.334 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.440 2.275 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.549 0.748 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -16.262 0.849 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -16.025 3.663 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.880 2.315 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.564 3.153 0.974 1.00 0.00 H new ATOM 788 N ASP A 54 -13.478 -1.129 -0.784 1.00 0.00 N ATOM 789 CA ASP A 54 -13.291 -2.370 -1.515 1.00 0.00 C ATOM 790 C ASP A 54 -13.228 -3.535 -0.526 1.00 0.00 C ATOM 791 O ASP A 54 -12.878 -4.654 -0.899 1.00 0.00 O ATOM 792 CB ASP A 54 -11.983 -2.352 -2.308 1.00 0.00 C ATOM 793 CG ASP A 54 -11.702 -3.616 -3.123 1.00 0.00 C ATOM 794 OD1 ASP A 54 -12.629 -4.043 -3.844 1.00 0.00 O ATOM 795 OD2 ASP A 54 -10.567 -4.126 -3.006 1.00 0.00 O ATOM 0 H ASP A 54 -12.616 -0.627 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.128 -2.484 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.998 -1.498 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.157 -2.195 -1.614 1.00 0.00 H new ATOM 800 N GLY A 55 -13.573 -3.233 0.717 1.00 0.00 N ATOM 801 CA GLY A 55 -13.561 -4.242 1.763 1.00 0.00 C ATOM 802 C GLY A 55 -12.381 -5.200 1.587 1.00 0.00 C ATOM 803 O GLY A 55 -12.551 -6.417 1.638 1.00 0.00 O ATOM 0 H GLY A 55 -13.863 -2.304 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.500 -3.759 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.495 -4.803 1.743 1.00 0.00 H new ATOM 807 N ARG A 56 -11.210 -4.614 1.383 1.00 0.00 N ATOM 808 CA ARG A 56 -10.002 -5.400 1.199 1.00 0.00 C ATOM 809 C ARG A 56 -8.823 -4.738 1.915 1.00 0.00 C ATOM 810 O ARG A 56 -7.979 -5.422 2.493 1.00 0.00 O ATOM 811 CB ARG A 56 -9.666 -5.555 -0.286 1.00 0.00 C ATOM 812 CG ARG A 56 -9.546 -7.031 -0.670 1.00 0.00 C ATOM 813 CD ARG A 56 -10.688 -7.450 -1.598 1.00 0.00 C ATOM 814 NE ARG A 56 -10.144 -7.904 -2.897 1.00 0.00 N ATOM 815 CZ ARG A 56 -10.897 -8.184 -3.970 1.00 0.00 C ATOM 816 NH1 ARG A 56 -12.229 -8.059 -3.905 1.00 0.00 N ATOM 817 NH2 ARG A 56 -10.316 -8.590 -5.108 1.00 0.00 N ATOM 0 H ARG A 56 -11.072 -3.604 1.341 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.182 -6.387 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.440 -5.080 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.730 -5.041 -0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.589 -7.206 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.559 -7.647 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.267 -8.250 -1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.368 -6.612 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.133 -8.011 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.671 -7.751 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.802 -8.272 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.302 -8.686 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.888 -8.803 -5.925 1.00 0.00 H new ATOM 831 N LEU A 57 -8.803 -3.415 1.854 1.00 0.00 N ATOM 832 CA LEU A 57 -7.741 -2.653 2.490 1.00 0.00 C ATOM 833 C LEU A 57 -7.888 -2.752 4.010 1.00 0.00 C ATOM 834 O LEU A 57 -8.999 -2.873 4.523 1.00 0.00 O ATOM 835 CB LEU A 57 -7.726 -1.215 1.966 1.00 0.00 C ATOM 836 CG LEU A 57 -6.835 -0.954 0.750 1.00 0.00 C ATOM 837 CD1 LEU A 57 -5.609 -0.124 1.137 1.00 0.00 C ATOM 838 CD2 LEU A 57 -6.447 -2.264 0.063 1.00 0.00 C ATOM 0 H LEU A 57 -9.505 -2.851 1.374 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.767 -3.071 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.747 -0.932 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.405 -0.558 2.774 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.405 -0.369 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.992 0.047 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.932 0.834 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.028 -0.661 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.814 -2.050 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.903 -2.896 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.347 -2.782 -0.269 1.00 0.00 H new ATOM 850 N ALA A 58 -6.750 -2.697 4.687 1.00 0.00 N ATOM 851 CA ALA A 58 -6.738 -2.780 6.137 1.00 0.00 C ATOM 852 C ALA A 58 -5.292 -2.739 6.634 1.00 0.00 C ATOM 853 O ALA A 58 -4.356 -2.785 5.837 1.00 0.00 O ATOM 854 CB ALA A 58 -7.472 -4.046 6.583 1.00 0.00 C ATOM 0 H ALA A 58 -5.830 -2.596 4.258 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.261 -1.929 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.463 -4.108 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.503 -4.012 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.974 -4.921 6.166 1.00 0.00 H new ATOM 860 N ALA A 59 -5.153 -2.652 7.949 1.00 0.00 N ATOM 861 CA ALA A 59 -3.836 -2.604 8.561 1.00 0.00 C ATOM 862 C ALA A 59 -3.054 -3.862 8.178 1.00 0.00 C ATOM 863 O ALA A 59 -3.625 -4.948 8.085 1.00 0.00 O ATOM 864 CB ALA A 59 -3.983 -2.448 10.076 1.00 0.00 C ATOM 0 H ALA A 59 -5.931 -2.614 8.608 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.275 -1.743 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.995 -2.412 10.536 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.520 -1.525 10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.539 -3.296 10.477 1.00 0.00 H new ATOM 870 N GLY A 60 -1.760 -3.673 7.965 1.00 0.00 N ATOM 871 CA GLY A 60 -0.894 -4.779 7.594 1.00 0.00 C ATOM 872 C GLY A 60 -0.654 -4.804 6.083 1.00 0.00 C ATOM 873 O GLY A 60 0.172 -5.574 5.595 1.00 0.00 O ATOM 0 H GLY A 60 -1.291 -2.771 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.059 -4.690 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.344 -5.720 7.910 1.00 0.00 H new ATOM 877 N ASP A 61 -1.390 -3.952 5.385 1.00 0.00 N ATOM 878 CA ASP A 61 -1.267 -3.866 3.940 1.00 0.00 C ATOM 879 C ASP A 61 0.115 -3.315 3.581 1.00 0.00 C ATOM 880 O ASP A 61 0.232 -2.191 3.097 1.00 0.00 O ATOM 881 CB ASP A 61 -2.319 -2.923 3.352 1.00 0.00 C ATOM 882 CG ASP A 61 -3.334 -3.587 2.420 1.00 0.00 C ATOM 883 OD1 ASP A 61 -3.840 -4.663 2.806 1.00 0.00 O ATOM 884 OD2 ASP A 61 -3.580 -3.004 1.342 1.00 0.00 O ATOM 0 H ASP A 61 -2.074 -3.315 5.793 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.410 -4.866 3.530 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.858 -2.448 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.809 -2.131 2.804 1.00 0.00 H new ATOM 889 N GLN A 62 1.126 -4.133 3.833 1.00 0.00 N ATOM 890 CA GLN A 62 2.495 -3.742 3.543 1.00 0.00 C ATOM 891 C GLN A 62 2.710 -3.642 2.032 1.00 0.00 C ATOM 892 O GLN A 62 2.729 -4.656 1.336 1.00 0.00 O ATOM 893 CB GLN A 62 3.490 -4.717 4.176 1.00 0.00 C ATOM 894 CG GLN A 62 4.914 -4.161 4.120 1.00 0.00 C ATOM 895 CD GLN A 62 5.940 -5.246 4.454 1.00 0.00 C ATOM 896 OE1 GLN A 62 6.520 -5.877 3.585 1.00 0.00 O ATOM 897 NE2 GLN A 62 6.131 -5.427 5.757 1.00 0.00 N ATOM 0 H GLN A 62 1.025 -5.065 4.235 1.00 0.00 H new ATOM 0 HA GLN A 62 2.672 -2.760 3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.210 -4.906 5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.449 -5.674 3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.113 -3.761 3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.013 -3.333 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.612 -4.864 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.796 -6.128 6.082 1.00 0.00 H new ATOM 906 N LEU A 63 2.867 -2.411 1.568 1.00 0.00 N ATOM 907 CA LEU A 63 3.080 -2.166 0.152 1.00 0.00 C ATOM 908 C LEU A 63 4.573 -2.278 -0.162 1.00 0.00 C ATOM 909 O LEU A 63 5.375 -1.483 0.327 1.00 0.00 O ATOM 910 CB LEU A 63 2.464 -0.827 -0.259 1.00 0.00 C ATOM 911 CG LEU A 63 0.985 -0.636 0.084 1.00 0.00 C ATOM 912 CD1 LEU A 63 0.819 0.235 1.331 1.00 0.00 C ATOM 913 CD2 LEU A 63 0.212 -0.077 -1.112 1.00 0.00 C ATOM 0 H LEU A 63 2.851 -1.572 2.148 1.00 0.00 H new ATOM 0 HA LEU A 63 2.571 -2.922 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.033 -0.027 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.585 -0.709 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 63 0.560 -1.613 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.241 0.355 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.315 -0.242 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.265 1.213 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.836 0.049 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.631 0.888 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.289 -0.769 -1.951 1.00 0.00 H new ATOM 925 N LEU A 64 4.902 -3.270 -0.975 1.00 0.00 N ATOM 926 CA LEU A 64 6.285 -3.496 -1.360 1.00 0.00 C ATOM 927 C LEU A 64 6.656 -2.541 -2.497 1.00 0.00 C ATOM 928 O LEU A 64 7.831 -2.246 -2.706 1.00 0.00 O ATOM 929 CB LEU A 64 6.513 -4.971 -1.697 1.00 0.00 C ATOM 930 CG LEU A 64 7.881 -5.541 -1.317 1.00 0.00 C ATOM 931 CD1 LEU A 64 7.812 -7.059 -1.138 1.00 0.00 C ATOM 932 CD2 LEU A 64 8.947 -5.133 -2.336 1.00 0.00 C ATOM 0 H LEU A 64 4.234 -3.927 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 64 6.953 -3.276 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.744 -5.561 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.371 -5.105 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 64 8.173 -5.116 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.797 -7.439 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.101 -7.300 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.488 -7.521 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.910 -5.551 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.672 -5.511 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.019 -4.046 -2.372 1.00 0.00 H new ATOM 944 N SER A 65 5.631 -2.084 -3.201 1.00 0.00 N ATOM 945 CA SER A 65 5.834 -1.169 -4.311 1.00 0.00 C ATOM 946 C SER A 65 4.504 -0.528 -4.712 1.00 0.00 C ATOM 947 O SER A 65 3.438 -1.046 -4.383 1.00 0.00 O ATOM 948 CB SER A 65 6.461 -1.886 -5.509 1.00 0.00 C ATOM 949 OG SER A 65 5.920 -3.192 -5.692 1.00 0.00 O ATOM 0 H SER A 65 4.657 -2.330 -3.024 1.00 0.00 H new ATOM 0 HA SER A 65 6.523 -0.388 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.298 -1.296 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.539 -1.957 -5.366 1.00 0.00 H new ATOM 0 HG SER A 65 6.356 -3.622 -6.457 1.00 0.00 H new ATOM 955 N VAL A 66 4.610 0.589 -5.417 1.00 0.00 N ATOM 956 CA VAL A 66 3.429 1.305 -5.866 1.00 0.00 C ATOM 957 C VAL A 66 3.700 1.915 -7.243 1.00 0.00 C ATOM 958 O VAL A 66 4.667 2.655 -7.418 1.00 0.00 O ATOM 959 CB VAL A 66 3.019 2.345 -4.821 1.00 0.00 C ATOM 960 CG1 VAL A 66 2.886 1.708 -3.437 1.00 0.00 C ATOM 961 CG2 VAL A 66 4.005 3.514 -4.795 1.00 0.00 C ATOM 0 H VAL A 66 5.496 1.015 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 66 2.586 0.622 -5.974 1.00 0.00 H new ATOM 0 HB VAL A 66 2.042 2.738 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.594 2.469 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.127 0.926 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.842 1.275 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.690 4.239 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.001 3.145 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.028 3.993 -5.774 1.00 0.00 H new ATOM 971 N ASP A 67 2.830 1.583 -8.184 1.00 0.00 N ATOM 972 CA ASP A 67 2.964 2.089 -9.540 1.00 0.00 C ATOM 973 C ASP A 67 4.371 1.784 -10.057 1.00 0.00 C ATOM 974 O ASP A 67 4.944 2.570 -10.810 1.00 0.00 O ATOM 975 CB ASP A 67 2.762 3.605 -9.584 1.00 0.00 C ATOM 976 CG ASP A 67 1.808 4.099 -10.674 1.00 0.00 C ATOM 977 OD1 ASP A 67 1.505 3.286 -11.573 1.00 0.00 O ATOM 978 OD2 ASP A 67 1.405 5.278 -10.582 1.00 0.00 O ATOM 0 H ASP A 67 2.029 0.970 -8.035 1.00 0.00 H new ATOM 0 HA ASP A 67 2.206 1.606 -10.157 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.385 3.934 -8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.732 4.082 -9.728 1.00 0.00 H new ATOM 983 N GLY A 68 4.888 0.641 -9.632 1.00 0.00 N ATOM 984 CA GLY A 68 6.218 0.222 -10.042 1.00 0.00 C ATOM 985 C GLY A 68 7.277 0.711 -9.052 1.00 0.00 C ATOM 986 O GLY A 68 8.285 0.040 -8.834 1.00 0.00 O ATOM 0 H GLY A 68 4.410 -0.009 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.255 -0.865 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.436 0.613 -11.036 1.00 0.00 H new ATOM 990 N ARG A 69 7.012 1.875 -8.477 1.00 0.00 N ATOM 991 CA ARG A 69 7.929 2.461 -7.515 1.00 0.00 C ATOM 992 C ARG A 69 7.923 1.652 -6.216 1.00 0.00 C ATOM 993 O ARG A 69 6.880 1.493 -5.584 1.00 0.00 O ATOM 994 CB ARG A 69 7.552 3.911 -7.207 1.00 0.00 C ATOM 995 CG ARG A 69 7.808 4.813 -8.416 1.00 0.00 C ATOM 996 CD ARG A 69 8.223 6.218 -7.974 1.00 0.00 C ATOM 997 NE ARG A 69 9.441 6.639 -8.700 1.00 0.00 N ATOM 998 CZ ARG A 69 10.642 6.062 -8.551 1.00 0.00 C ATOM 999 NH1 ARG A 69 10.791 5.037 -7.701 1.00 0.00 N ATOM 1000 NH2 ARG A 69 11.692 6.510 -9.252 1.00 0.00 N ATOM 0 H ARG A 69 6.175 2.428 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 69 8.927 2.443 -7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.501 3.965 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.130 4.267 -6.354 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.589 4.378 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.908 4.871 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.414 6.922 -8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.408 6.230 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 69 9.362 7.417 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.991 4.696 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.704 4.598 -7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.578 7.290 -9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.606 6.071 -9.139 1.00 0.00 H new ATOM 1014 N SER A 70 9.101 1.164 -5.855 1.00 0.00 N ATOM 1015 CA SER A 70 9.245 0.376 -4.643 1.00 0.00 C ATOM 1016 C SER A 70 8.769 1.184 -3.434 1.00 0.00 C ATOM 1017 O SER A 70 9.054 2.376 -3.329 1.00 0.00 O ATOM 1018 CB SER A 70 10.695 -0.071 -4.445 1.00 0.00 C ATOM 1019 OG SER A 70 11.596 1.032 -4.430 1.00 0.00 O ATOM 0 H SER A 70 9.964 1.299 -6.381 1.00 0.00 H new ATOM 0 HA SER A 70 8.628 -0.517 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.780 -0.621 -3.508 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.975 -0.757 -5.244 1.00 0.00 H new ATOM 0 HG SER A 70 12.511 0.705 -4.300 1.00 0.00 H new ATOM 1025 N LEU A 71 8.052 0.503 -2.553 1.00 0.00 N ATOM 1026 CA LEU A 71 7.533 1.143 -1.356 1.00 0.00 C ATOM 1027 C LEU A 71 8.074 0.419 -0.121 1.00 0.00 C ATOM 1028 O LEU A 71 7.891 0.881 1.004 1.00 0.00 O ATOM 1029 CB LEU A 71 6.006 1.217 -1.406 1.00 0.00 C ATOM 1030 CG LEU A 71 5.375 2.478 -0.812 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.076 3.507 -1.903 1.00 0.00 C ATOM 1032 CD2 LEU A 71 4.131 2.134 0.009 1.00 0.00 C ATOM 0 H LEU A 71 7.818 -0.486 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 71 7.876 2.176 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.692 1.133 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.603 0.351 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 71 6.094 2.932 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.628 4.394 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.003 3.784 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.384 3.078 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.702 3.048 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.397 1.644 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.406 1.464 0.824 1.00 0.00 H new ATOM 1044 N VAL A 72 8.730 -0.704 -0.373 1.00 0.00 N ATOM 1045 CA VAL A 72 9.298 -1.497 0.704 1.00 0.00 C ATOM 1046 C VAL A 72 10.481 -0.744 1.316 1.00 0.00 C ATOM 1047 O VAL A 72 11.594 -1.265 1.367 1.00 0.00 O ATOM 1048 CB VAL A 72 9.677 -2.886 0.188 1.00 0.00 C ATOM 1049 CG1 VAL A 72 10.963 -2.832 -0.640 1.00 0.00 C ATOM 1050 CG2 VAL A 72 9.809 -3.883 1.341 1.00 0.00 C ATOM 0 H VAL A 72 8.881 -1.084 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 72 8.563 -1.648 1.495 1.00 0.00 H new ATOM 0 HB VAL A 72 8.874 -3.231 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.210 -3.833 -0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.819 -2.170 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.778 -2.455 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.079 -4.862 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.583 -3.543 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.859 -3.955 1.871 1.00 0.00 H new ATOM 1060 N GLY A 73 10.200 0.470 1.766 1.00 0.00 N ATOM 1061 CA GLY A 73 11.226 1.301 2.372 1.00 0.00 C ATOM 1062 C GLY A 73 11.094 2.756 1.918 1.00 0.00 C ATOM 1063 O GLY A 73 12.091 3.404 1.603 1.00 0.00 O ATOM 0 H GLY A 73 9.275 0.898 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.148 1.247 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.212 0.921 2.104 1.00 0.00 H new ATOM 1067 N LEU A 74 9.856 3.226 1.899 1.00 0.00 N ATOM 1068 CA LEU A 74 9.580 4.593 1.489 1.00 0.00 C ATOM 1069 C LEU A 74 9.158 5.412 2.710 1.00 0.00 C ATOM 1070 O LEU A 74 9.069 4.882 3.817 1.00 0.00 O ATOM 1071 CB LEU A 74 8.559 4.614 0.350 1.00 0.00 C ATOM 1072 CG LEU A 74 9.133 4.727 -1.064 1.00 0.00 C ATOM 1073 CD1 LEU A 74 8.017 4.897 -2.097 1.00 0.00 C ATOM 1074 CD2 LEU A 74 10.168 5.850 -1.148 1.00 0.00 C ATOM 0 H LEU A 74 9.032 2.685 2.161 1.00 0.00 H new ATOM 0 HA LEU A 74 10.480 5.060 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.962 3.704 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.880 5.451 0.513 1.00 0.00 H new ATOM 0 HG LEU A 74 9.649 3.796 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.452 4.975 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.351 4.035 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.452 5.802 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.560 5.908 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.698 6.798 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.984 5.645 -0.455 1.00 0.00 H new ATOM 1086 N SER A 75 8.908 6.690 2.467 1.00 0.00 N ATOM 1087 CA SER A 75 8.497 7.588 3.534 1.00 0.00 C ATOM 1088 C SER A 75 7.040 8.008 3.331 1.00 0.00 C ATOM 1089 O SER A 75 6.627 8.309 2.212 1.00 0.00 O ATOM 1090 CB SER A 75 9.402 8.820 3.595 1.00 0.00 C ATOM 1091 OG SER A 75 8.809 9.950 2.960 1.00 0.00 O ATOM 0 H SER A 75 8.982 7.125 1.548 1.00 0.00 H new ATOM 0 HA SER A 75 8.587 7.058 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.617 9.061 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.355 8.594 3.117 1.00 0.00 H new ATOM 0 HG SER A 75 9.417 10.716 3.022 1.00 0.00 H new ATOM 1097 N GLN A 76 6.301 8.016 4.431 1.00 0.00 N ATOM 1098 CA GLN A 76 4.899 8.395 4.387 1.00 0.00 C ATOM 1099 C GLN A 76 4.702 9.597 3.461 1.00 0.00 C ATOM 1100 O GLN A 76 3.646 9.746 2.848 1.00 0.00 O ATOM 1101 CB GLN A 76 4.368 8.692 5.791 1.00 0.00 C ATOM 1102 CG GLN A 76 2.838 8.694 5.810 1.00 0.00 C ATOM 1103 CD GLN A 76 2.297 10.047 6.277 1.00 0.00 C ATOM 1104 OE1 GLN A 76 2.497 11.074 5.650 1.00 0.00 O ATOM 1105 NE2 GLN A 76 1.602 9.989 7.409 1.00 0.00 N ATOM 0 H GLN A 76 6.647 7.766 5.358 1.00 0.00 H new ATOM 0 HA GLN A 76 4.329 7.557 3.987 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.743 7.945 6.491 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.741 9.660 6.127 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.458 8.471 4.813 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.478 7.906 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.473 9.095 7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.198 10.838 7.804 1.00 0.00 H new ATOM 1114 N GLU A 77 5.735 10.423 3.388 1.00 0.00 N ATOM 1115 CA GLU A 77 5.689 11.607 2.547 1.00 0.00 C ATOM 1116 C GLU A 77 5.739 11.211 1.070 1.00 0.00 C ATOM 1117 O GLU A 77 4.895 11.634 0.281 1.00 0.00 O ATOM 1118 CB GLU A 77 6.825 12.571 2.894 1.00 0.00 C ATOM 1119 CG GLU A 77 6.312 13.745 3.731 1.00 0.00 C ATOM 1120 CD GLU A 77 6.681 13.571 5.205 1.00 0.00 C ATOM 1121 OE1 GLU A 77 7.879 13.749 5.515 1.00 0.00 O ATOM 1122 OE2 GLU A 77 5.758 13.263 5.989 1.00 0.00 O ATOM 0 H GLU A 77 6.609 10.296 3.898 1.00 0.00 H new ATOM 0 HA GLU A 77 4.748 12.124 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.602 12.040 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.282 12.945 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.734 14.677 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.229 13.822 3.630 1.00 0.00 H new ATOM 1129 N ARG A 78 6.735 10.402 0.740 1.00 0.00 N ATOM 1130 CA ARG A 78 6.906 9.944 -0.628 1.00 0.00 C ATOM 1131 C ARG A 78 5.788 8.970 -1.005 1.00 0.00 C ATOM 1132 O ARG A 78 5.066 9.193 -1.976 1.00 0.00 O ATOM 1133 CB ARG A 78 8.259 9.254 -0.813 1.00 0.00 C ATOM 1134 CG ARG A 78 9.215 10.130 -1.625 1.00 0.00 C ATOM 1135 CD ARG A 78 10.357 10.652 -0.750 1.00 0.00 C ATOM 1136 NE ARG A 78 10.314 12.130 -0.689 1.00 0.00 N ATOM 1137 CZ ARG A 78 11.122 12.879 0.090 1.00 0.00 C ATOM 1138 NH1 ARG A 78 12.045 12.294 0.883 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.997 14.193 0.065 1.00 0.00 N ATOM 0 H ARG A 78 7.432 10.052 1.397 1.00 0.00 H new ATOM 0 HA ARG A 78 6.865 10.818 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.697 9.038 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.118 8.298 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.623 9.556 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.668 10.969 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.276 10.236 0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.315 10.324 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 78 9.631 12.613 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.136 11.278 0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.652 12.868 1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.298 14.627 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.600 14.774 0.648 1.00 0.00 H new ATOM 1152 N ALA A 79 5.680 7.910 -0.217 1.00 0.00 N ATOM 1153 CA ALA A 79 4.662 6.901 -0.456 1.00 0.00 C ATOM 1154 C ALA A 79 3.312 7.586 -0.677 1.00 0.00 C ATOM 1155 O ALA A 79 2.570 7.224 -1.588 1.00 0.00 O ATOM 1156 CB ALA A 79 4.632 5.919 0.717 1.00 0.00 C ATOM 0 H ALA A 79 6.281 7.728 0.587 1.00 0.00 H new ATOM 0 HA ALA A 79 4.892 6.329 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.868 5.162 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.605 5.437 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.401 6.457 1.636 1.00 0.00 H new ATOM 1162 N ALA A 80 3.035 8.565 0.172 1.00 0.00 N ATOM 1163 CA ALA A 80 1.788 9.304 0.081 1.00 0.00 C ATOM 1164 C ALA A 80 1.720 10.017 -1.271 1.00 0.00 C ATOM 1165 O ALA A 80 0.703 9.953 -1.960 1.00 0.00 O ATOM 1166 CB ALA A 80 1.683 10.276 1.258 1.00 0.00 C ATOM 0 H ALA A 80 3.653 8.863 0.926 1.00 0.00 H new ATOM 0 HA ALA A 80 0.936 8.627 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.747 10.831 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.706 9.718 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.521 10.973 1.230 1.00 0.00 H new ATOM 1172 N GLU A 81 2.816 10.679 -1.611 1.00 0.00 N ATOM 1173 CA GLU A 81 2.894 11.403 -2.868 1.00 0.00 C ATOM 1174 C GLU A 81 2.546 10.477 -4.036 1.00 0.00 C ATOM 1175 O GLU A 81 1.859 10.884 -4.971 1.00 0.00 O ATOM 1176 CB GLU A 81 4.278 12.027 -3.057 1.00 0.00 C ATOM 1177 CG GLU A 81 4.374 13.375 -2.340 1.00 0.00 C ATOM 1178 CD GLU A 81 3.862 14.508 -3.231 1.00 0.00 C ATOM 1179 OE1 GLU A 81 2.667 14.448 -3.595 1.00 0.00 O ATOM 1180 OE2 GLU A 81 4.676 15.409 -3.529 1.00 0.00 O ATOM 0 H GLU A 81 3.658 10.729 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 81 2.167 12.214 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.041 11.351 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.478 12.161 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.794 13.342 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.409 13.568 -2.059 1.00 0.00 H new ATOM 1187 N LEU A 82 3.037 9.250 -3.943 1.00 0.00 N ATOM 1188 CA LEU A 82 2.786 8.264 -4.980 1.00 0.00 C ATOM 1189 C LEU A 82 1.314 7.851 -4.940 1.00 0.00 C ATOM 1190 O LEU A 82 0.656 7.783 -5.978 1.00 0.00 O ATOM 1191 CB LEU A 82 3.758 7.089 -4.847 1.00 0.00 C ATOM 1192 CG LEU A 82 5.136 7.283 -5.483 1.00 0.00 C ATOM 1193 CD1 LEU A 82 6.247 6.843 -4.528 1.00 0.00 C ATOM 1194 CD2 LEU A 82 5.224 6.568 -6.833 1.00 0.00 C ATOM 0 H LEU A 82 3.607 8.916 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 82 2.970 8.692 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.896 6.875 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.295 6.208 -5.292 1.00 0.00 H new ATOM 0 HG LEU A 82 5.277 8.347 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.216 6.991 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.197 7.435 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.120 5.788 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.214 6.722 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.052 5.501 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.469 6.971 -7.508 1.00 0.00 H new ATOM 1206 N MET A 83 0.838 7.587 -3.732 1.00 0.00 N ATOM 1207 CA MET A 83 -0.545 7.183 -3.544 1.00 0.00 C ATOM 1208 C MET A 83 -1.503 8.307 -3.942 1.00 0.00 C ATOM 1209 O MET A 83 -2.693 8.070 -4.146 1.00 0.00 O ATOM 1210 CB MET A 83 -0.773 6.812 -2.077 1.00 0.00 C ATOM 1211 CG MET A 83 -0.088 5.488 -1.733 1.00 0.00 C ATOM 1212 SD MET A 83 -0.978 4.662 -0.425 1.00 0.00 S ATOM 1213 CE MET A 83 0.160 4.907 0.928 1.00 0.00 C ATOM 0 H MET A 83 1.386 7.645 -2.873 1.00 0.00 H new ATOM 0 HA MET A 83 -0.743 6.321 -4.181 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.387 7.603 -1.434 1.00 0.00 H new ATOM 0 HB3 MET A 83 -1.842 6.734 -1.880 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.048 4.850 -2.616 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.941 5.671 -1.424 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.604 3.952 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.947 5.597 0.622 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.374 5.323 1.782 1.00 0.00 H new ATOM 1223 N THR A 84 -0.949 9.506 -4.040 1.00 0.00 N ATOM 1224 CA THR A 84 -1.740 10.668 -4.410 1.00 0.00 C ATOM 1225 C THR A 84 -2.150 10.587 -5.882 1.00 0.00 C ATOM 1226 O THR A 84 -3.268 10.183 -6.198 1.00 0.00 O ATOM 1227 CB THR A 84 -0.928 11.920 -4.073 1.00 0.00 C ATOM 1228 OG1 THR A 84 -0.721 11.832 -2.666 1.00 0.00 O ATOM 1229 CG2 THR A 84 -1.735 13.207 -4.251 1.00 0.00 C ATOM 0 H THR A 84 0.038 9.699 -3.870 1.00 0.00 H new ATOM 0 HA THR A 84 -2.673 10.707 -3.847 1.00 0.00 H new ATOM 0 HB THR A 84 -0.041 11.958 -4.705 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.148 11.416 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.112 14.065 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.064 13.290 -5.287 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.605 13.185 -3.594 1.00 0.00 H new ATOM 1237 N ARG A 85 -1.222 10.978 -6.744 1.00 0.00 N ATOM 1238 CA ARG A 85 -1.473 10.955 -8.175 1.00 0.00 C ATOM 1239 C ARG A 85 -1.578 9.512 -8.672 1.00 0.00 C ATOM 1240 O ARG A 85 -0.801 9.088 -9.527 1.00 0.00 O ATOM 1241 CB ARG A 85 -0.359 11.672 -8.941 1.00 0.00 C ATOM 1242 CG ARG A 85 -0.785 13.089 -9.329 1.00 0.00 C ATOM 1243 CD ARG A 85 0.370 13.848 -9.985 1.00 0.00 C ATOM 1244 NE ARG A 85 0.617 13.317 -11.345 1.00 0.00 N ATOM 1245 CZ ARG A 85 1.423 12.281 -11.612 1.00 0.00 C ATOM 1246 NH1 ARG A 85 2.065 11.657 -10.615 1.00 0.00 N ATOM 1247 NH2 ARG A 85 1.587 11.868 -12.876 1.00 0.00 N ATOM 0 H ARG A 85 -0.296 11.312 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.414 11.474 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.541 11.714 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.107 11.106 -9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.631 13.043 -10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.122 13.627 -8.443 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.134 14.911 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.271 13.751 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 85 0.144 13.768 -12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.940 11.971 -9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.679 10.868 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.098 12.343 -13.635 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.201 11.079 -13.079 1.00 0.00 H new ATOM 1261 N THR A 86 -2.544 8.797 -8.116 1.00 0.00 N ATOM 1262 CA THR A 86 -2.761 7.410 -8.492 1.00 0.00 C ATOM 1263 C THR A 86 -3.780 7.319 -9.630 1.00 0.00 C ATOM 1264 O THR A 86 -3.709 6.415 -10.461 1.00 0.00 O ATOM 1265 CB THR A 86 -3.179 6.640 -7.239 1.00 0.00 C ATOM 1266 OG1 THR A 86 -3.638 7.652 -6.346 1.00 0.00 O ATOM 1267 CG2 THR A 86 -1.988 6.014 -6.511 1.00 0.00 C ATOM 0 H THR A 86 -3.186 9.152 -7.407 1.00 0.00 H new ATOM 0 HA THR A 86 -1.848 6.958 -8.879 1.00 0.00 H new ATOM 0 HB THR A 86 -3.888 5.859 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.390 7.415 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.341 5.479 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.479 5.318 -7.178 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.295 6.798 -6.207 1.00 0.00 H new ATOM 1275 N SER A 87 -4.705 8.268 -9.631 1.00 0.00 N ATOM 1276 CA SER A 87 -5.737 8.306 -10.652 1.00 0.00 C ATOM 1277 C SER A 87 -6.865 7.337 -10.294 1.00 0.00 C ATOM 1278 O SER A 87 -6.821 6.687 -9.250 1.00 0.00 O ATOM 1279 CB SER A 87 -5.162 7.966 -12.029 1.00 0.00 C ATOM 1280 OG SER A 87 -5.929 8.540 -13.084 1.00 0.00 O ATOM 0 H SER A 87 -4.761 9.017 -8.940 1.00 0.00 H new ATOM 0 HA SER A 87 -6.138 9.319 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.134 8.324 -12.091 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.130 6.883 -12.151 1.00 0.00 H new ATOM 0 HG SER A 87 -5.529 8.302 -13.946 1.00 0.00 H new ATOM 1286 N SER A 88 -7.848 7.270 -11.179 1.00 0.00 N ATOM 1287 CA SER A 88 -8.986 6.390 -10.968 1.00 0.00 C ATOM 1288 C SER A 88 -8.534 4.929 -11.022 1.00 0.00 C ATOM 1289 O SER A 88 -9.361 4.023 -11.112 1.00 0.00 O ATOM 1290 CB SER A 88 -10.079 6.646 -12.007 1.00 0.00 C ATOM 1291 OG SER A 88 -9.651 6.317 -13.326 1.00 0.00 O ATOM 0 H SER A 88 -7.881 7.810 -12.044 1.00 0.00 H new ATOM 0 HA SER A 88 -9.403 6.599 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.962 6.059 -11.756 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.373 7.695 -11.973 1.00 0.00 H new ATOM 0 HG SER A 88 -10.378 6.493 -13.959 1.00 0.00 H new ATOM 1297 N VAL A 89 -7.223 4.746 -10.964 1.00 0.00 N ATOM 1298 CA VAL A 89 -6.652 3.410 -11.005 1.00 0.00 C ATOM 1299 C VAL A 89 -5.411 3.364 -10.112 1.00 0.00 C ATOM 1300 O VAL A 89 -4.523 4.207 -10.233 1.00 0.00 O ATOM 1301 CB VAL A 89 -6.363 3.009 -12.453 1.00 0.00 C ATOM 1302 CG1 VAL A 89 -5.281 1.929 -12.517 1.00 0.00 C ATOM 1303 CG2 VAL A 89 -7.639 2.549 -13.160 1.00 0.00 C ATOM 0 H VAL A 89 -6.540 5.500 -10.889 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.360 2.679 -10.615 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.989 3.889 -12.976 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.095 1.662 -13.557 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.362 2.308 -12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.614 1.047 -11.970 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.405 2.270 -14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.055 1.689 -12.636 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.367 3.360 -13.161 1.00 0.00 H new ATOM 1313 N VAL A 90 -5.388 2.370 -9.236 1.00 0.00 N ATOM 1314 CA VAL A 90 -4.270 2.203 -8.323 1.00 0.00 C ATOM 1315 C VAL A 90 -3.715 0.783 -8.459 1.00 0.00 C ATOM 1316 O VAL A 90 -4.426 -0.191 -8.219 1.00 0.00 O ATOM 1317 CB VAL A 90 -4.705 2.540 -6.896 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -3.615 3.323 -6.161 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -6.028 3.309 -6.893 1.00 0.00 C ATOM 0 H VAL A 90 -6.126 1.672 -9.139 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.465 2.893 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.861 1.602 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -3.950 3.550 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.705 2.725 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.413 4.253 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.315 3.536 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.910 4.238 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.803 2.701 -7.360 1.00 0.00 H new ATOM 1329 N THR A 91 -2.449 0.712 -8.843 1.00 0.00 N ATOM 1330 CA THR A 91 -1.790 -0.572 -9.014 1.00 0.00 C ATOM 1331 C THR A 91 -0.549 -0.657 -8.123 1.00 0.00 C ATOM 1332 O THR A 91 0.528 -0.203 -8.508 1.00 0.00 O ATOM 1333 CB THR A 91 -1.484 -0.752 -10.502 1.00 0.00 C ATOM 1334 OG1 THR A 91 -0.977 -2.081 -10.593 1.00 0.00 O ATOM 1335 CG2 THR A 91 -0.320 0.124 -10.970 1.00 0.00 C ATOM 0 H THR A 91 -1.862 1.522 -9.041 1.00 0.00 H new ATOM 0 HA THR A 91 -2.434 -1.393 -8.699 1.00 0.00 H new ATOM 0 HB THR A 91 -2.373 -0.517 -11.087 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.754 -2.283 -11.526 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.144 -0.042 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.564 1.173 -10.802 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.578 -0.134 -10.409 1.00 0.00 H new ATOM 1343 N LEU A 92 -0.741 -1.242 -6.950 1.00 0.00 N ATOM 1344 CA LEU A 92 0.350 -1.392 -6.001 1.00 0.00 C ATOM 1345 C LEU A 92 0.394 -2.839 -5.507 1.00 0.00 C ATOM 1346 O LEU A 92 -0.569 -3.585 -5.674 1.00 0.00 O ATOM 1347 CB LEU A 92 0.228 -0.361 -4.877 1.00 0.00 C ATOM 1348 CG LEU A 92 -1.193 0.088 -4.530 1.00 0.00 C ATOM 1349 CD1 LEU A 92 -1.747 1.030 -5.601 1.00 0.00 C ATOM 1350 CD2 LEU A 92 -2.108 -1.116 -4.298 1.00 0.00 C ATOM 0 H LEU A 92 -1.635 -1.618 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 92 1.306 -1.190 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.686 -0.776 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.809 0.519 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.155 0.648 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.758 1.334 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.110 1.912 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.768 0.516 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.112 -0.768 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.145 -1.724 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.720 -1.714 -3.474 1.00 0.00 H new ATOM 1362 N GLU A 93 1.523 -3.192 -4.909 1.00 0.00 N ATOM 1363 CA GLU A 93 1.705 -4.536 -4.389 1.00 0.00 C ATOM 1364 C GLU A 93 1.745 -4.513 -2.860 1.00 0.00 C ATOM 1365 O GLU A 93 2.689 -3.993 -2.267 1.00 0.00 O ATOM 1366 CB GLU A 93 2.971 -5.178 -4.961 1.00 0.00 C ATOM 1367 CG GLU A 93 2.869 -5.332 -6.480 1.00 0.00 C ATOM 1368 CD GLU A 93 3.528 -4.151 -7.196 1.00 0.00 C ATOM 1369 OE1 GLU A 93 2.970 -3.039 -7.088 1.00 0.00 O ATOM 1370 OE2 GLU A 93 4.576 -4.389 -7.835 1.00 0.00 O ATOM 0 H GLU A 93 2.320 -2.570 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 93 0.856 -5.144 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.838 -4.566 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.127 -6.154 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.348 -6.262 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.821 -5.401 -6.773 1.00 0.00 H new ATOM 1377 N VAL A 94 0.708 -5.084 -2.264 1.00 0.00 N ATOM 1378 CA VAL A 94 0.612 -5.135 -0.815 1.00 0.00 C ATOM 1379 C VAL A 94 0.556 -6.596 -0.364 1.00 0.00 C ATOM 1380 O VAL A 94 0.111 -7.464 -1.113 1.00 0.00 O ATOM 1381 CB VAL A 94 -0.589 -4.316 -0.340 1.00 0.00 C ATOM 1382 CG1 VAL A 94 -0.891 -3.172 -1.311 1.00 0.00 C ATOM 1383 CG2 VAL A 94 -1.818 -5.207 -0.145 1.00 0.00 C ATOM 0 H VAL A 94 -0.073 -5.515 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 94 1.494 -4.687 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.335 -3.879 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.749 -2.605 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.025 -2.514 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.115 -3.581 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.658 -4.600 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.074 -5.686 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.599 -5.971 0.601 1.00 0.00 H new ATOM 1393 N ALA A 95 1.013 -6.822 0.859 1.00 0.00 N ATOM 1394 CA ALA A 95 1.020 -8.163 1.419 1.00 0.00 C ATOM 1395 C ALA A 95 0.955 -8.074 2.945 1.00 0.00 C ATOM 1396 O ALA A 95 1.040 -6.985 3.511 1.00 0.00 O ATOM 1397 CB ALA A 95 2.260 -8.914 0.931 1.00 0.00 C ATOM 0 H ALA A 95 1.381 -6.099 1.478 1.00 0.00 H new ATOM 0 HA ALA A 95 0.147 -8.723 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.265 -9.920 1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 95 2.243 -8.975 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.156 -8.383 1.251 1.00 0.00 H new ATOM 1403 N LYS A 96 0.806 -9.234 3.568 1.00 0.00 N ATOM 1404 CA LYS A 96 0.729 -9.300 5.018 1.00 0.00 C ATOM 1405 C LYS A 96 1.153 -10.695 5.483 1.00 0.00 C ATOM 1406 O LYS A 96 1.689 -11.478 4.700 1.00 0.00 O ATOM 1407 CB LYS A 96 -0.662 -8.887 5.500 1.00 0.00 C ATOM 1408 CG LYS A 96 -1.733 -9.842 4.968 1.00 0.00 C ATOM 1409 CD LYS A 96 -2.951 -9.870 5.893 1.00 0.00 C ATOM 1410 CE LYS A 96 -3.970 -8.802 5.491 1.00 0.00 C ATOM 1411 NZ LYS A 96 -3.602 -7.491 6.070 1.00 0.00 N ATOM 0 H LYS A 96 0.737 -10.135 3.096 1.00 0.00 H new ATOM 0 HA LYS A 96 1.421 -8.589 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.686 -8.879 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.879 -7.871 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.038 -9.532 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.318 -10.846 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.417 -10.855 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.634 -9.706 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.017 -8.726 4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.963 -9.092 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.433 -6.866 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.268 -7.624 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -2.846 -7.060 5.501 1.00 0.00 H new ATOM 1425 N GLN A 97 0.897 -10.962 6.755 1.00 0.00 N ATOM 1426 CA GLN A 97 1.245 -12.249 7.334 1.00 0.00 C ATOM 1427 C GLN A 97 0.011 -12.900 7.962 1.00 0.00 C ATOM 1428 O GLN A 97 -0.255 -12.718 9.149 1.00 0.00 O ATOM 1429 CB GLN A 97 2.370 -12.102 8.361 1.00 0.00 C ATOM 1430 CG GLN A 97 2.815 -13.469 8.885 1.00 0.00 C ATOM 1431 CD GLN A 97 2.312 -13.699 10.312 1.00 0.00 C ATOM 1432 OE1 GLN A 97 2.513 -12.894 11.206 1.00 0.00 O ATOM 1433 NE2 GLN A 97 1.650 -14.841 10.474 1.00 0.00 N ATOM 0 H GLN A 97 0.453 -10.310 7.401 1.00 0.00 H new ATOM 0 HA GLN A 97 1.608 -12.898 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.218 -11.589 7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.031 -11.483 9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.436 -14.254 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.903 -13.534 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.517 -15.470 9.682 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.275 -15.088 11.390 1.00 0.00 H new ATOM 1442 N GLY A 98 -0.710 -13.645 7.137 1.00 0.00 N ATOM 1443 CA GLY A 98 -1.910 -14.324 7.597 1.00 0.00 C ATOM 1444 C GLY A 98 -2.626 -15.017 6.437 1.00 0.00 C ATOM 1445 O GLY A 98 -2.120 -15.993 5.884 1.00 0.00 O ATOM 0 H GLY A 98 -0.487 -13.793 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.647 -15.059 8.358 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.582 -13.605 8.066 1.00 0.00 H new ATOM 1449 N ALA A 99 -3.793 -14.487 6.101 1.00 0.00 N ATOM 1450 CA ALA A 99 -4.584 -15.043 5.016 1.00 0.00 C ATOM 1451 C ALA A 99 -5.207 -13.903 4.209 1.00 0.00 C ATOM 1452 O ALA A 99 -5.014 -12.731 4.531 1.00 0.00 O ATOM 1453 CB ALA A 99 -5.636 -15.996 5.588 1.00 0.00 C ATOM 0 H ALA A 99 -4.210 -13.678 6.561 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.955 -15.620 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.230 -16.413 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.141 -16.804 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.288 -15.451 6.270 1.00 0.00 H new ATOM 1459 N ILE A 100 -5.943 -14.285 3.176 1.00 0.00 N ATOM 1460 CA ILE A 100 -6.596 -13.310 2.320 1.00 0.00 C ATOM 1461 C ILE A 100 -8.108 -13.368 2.547 1.00 0.00 C ATOM 1462 O ILE A 100 -8.781 -12.339 2.535 1.00 0.00 O ATOM 1463 CB ILE A 100 -6.185 -13.517 0.860 1.00 0.00 C ATOM 1464 CG1 ILE A 100 -6.562 -12.304 0.007 1.00 0.00 C ATOM 1465 CG2 ILE A 100 -6.775 -14.815 0.304 1.00 0.00 C ATOM 1466 CD1 ILE A 100 -5.643 -12.184 -1.210 1.00 0.00 C ATOM 0 H ILE A 100 -6.102 -15.257 2.912 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.273 -12.301 2.578 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.100 -13.613 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.597 -12.394 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.496 -11.397 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.468 -14.939 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.415 -15.659 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.863 -14.773 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.932 -11.314 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.611 -12.070 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.730 -13.082 -1.822 1.00 0.00 H new ATOM 1478 N TYR A 101 -8.597 -14.583 2.750 1.00 0.00 N ATOM 1479 CA TYR A 101 -10.016 -14.789 2.980 1.00 0.00 C ATOM 1480 C TYR A 101 -10.289 -15.144 4.444 1.00 0.00 C ATOM 1481 O TYR A 101 -9.933 -16.229 4.900 1.00 0.00 O ATOM 1482 CB TYR A 101 -10.419 -15.972 2.098 1.00 0.00 C ATOM 1483 CG TYR A 101 -10.594 -15.616 0.621 1.00 0.00 C ATOM 1484 CD1 TYR A 101 -11.394 -14.551 0.258 1.00 0.00 C ATOM 1485 CD2 TYR A 101 -9.953 -16.359 -0.350 1.00 0.00 C ATOM 1486 CE1 TYR A 101 -11.559 -14.215 -1.133 1.00 0.00 C ATOM 1487 CE2 TYR A 101 -10.118 -16.023 -1.740 1.00 0.00 C ATOM 1488 CZ TYR A 101 -10.913 -14.968 -2.063 1.00 0.00 C ATOM 1489 OH TYR A 101 -11.069 -14.651 -3.376 1.00 0.00 O ATOM 0 H TYR A 101 -8.035 -15.434 2.760 1.00 0.00 H new ATOM 0 HA TYR A 101 -10.577 -13.884 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.662 -16.752 2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -11.353 -16.390 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.896 -13.970 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.328 -17.193 -0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -12.181 -13.384 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -9.622 -16.596 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.549 -15.273 -3.927 1.00 0.00 H new TER 1499 TYR A 101