USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1019 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 80 MET CE :methyl -135:sc= -0.216 (180deg=-1.88!) USER MOD Set 1.2: A 154 MET CE :methyl -128:sc= -0.0207 (180deg=-0.799) USER MOD Set 2.1: A 143 GLN : amide:sc= 0.111 X(o=0.29,f=0.067) USER MOD Set 2.2: A 144 ASN : amide:sc= 0.177 X(o=0.29,f=-0.15) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -0.283 X(o=0.16,f=0.083) USER MOD Set 3.2: A 53 SER OG : rot -11:sc= 0.442 USER MOD Set 4.1: A 40 THR OG1 : rot -157:sc=-0.00928 USER MOD Set 4.2: A 98 TYR OH : rot 180:sc= 0.0171 USER MOD Set 5.1: A 33 LYS NZ :NH3+ -170:sc=-0.000565 (180deg=-0.0154) USER MOD Set 5.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.0035) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.376 (180deg=-1.36!) USER MOD Single : A 19 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.131 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -161:sc= -1.27 (180deg=-2.8) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 79:sc= 0.0177 USER MOD Single : A 78 CYS SG : rot -26:sc=-0.00478 USER MOD Single : A 79 THR OG1 : rot -65:sc= 0.182 USER MOD Single : A 87 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.2) USER MOD Single : A 90 CYS SG : rot 160:sc= -0.803 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc=-0.00695 X(o=-0.007,f=-0.33) USER MOD Single : A 103 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.69) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN :FLIP amide:sc= -0.0053 F(o=-0.62,f=-0.0053) USER MOD Single : A 146 GLN : amide:sc= 0.0285 K(o=0.029,f=-1.6) USER MOD Single : A 151 HIS :FLIP no HD1:sc= -0.0836 F(o=-0.61,f=-0.084) USER MOD Single : A 152 MET CE :methyl 176:sc= 0 (180deg=-0.027) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot -134:sc= 0.116 USER MOD Single : A 162 THR OG1 : rot -125:sc= 0.451 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.173 -4.888 -10.500 1.00 0.00 N ATOM 43 CA ILE A 5 22.071 -3.847 -9.908 1.00 0.00 C ATOM 44 C ILE A 5 22.934 -3.060 -10.957 1.00 0.00 C ATOM 45 O ILE A 5 22.999 -1.830 -10.893 1.00 0.00 O ATOM 46 CB ILE A 5 22.900 -4.557 -8.764 1.00 0.00 C ATOM 47 CG1 ILE A 5 22.033 -5.083 -7.571 1.00 0.00 C ATOM 48 CG2 ILE A 5 24.137 -3.802 -8.214 1.00 0.00 C ATOM 49 CD1 ILE A 5 21.181 -4.048 -6.813 1.00 0.00 C ATOM 0 HA ILE A 5 21.476 -3.040 -9.481 1.00 0.00 H new ATOM 0 HB ILE A 5 23.296 -5.406 -9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.366 -5.856 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.699 -5.563 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 5 24.612 -4.400 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.847 -3.628 -9.023 1.00 0.00 H new ATOM 0 HG23 ILE A 5 23.823 -2.846 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.631 -4.545 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 5 21.831 -3.284 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.477 -3.582 -7.502 1.00 0.00 H new ATOM 61 N ALA A 6 23.553 -3.769 -11.919 1.00 0.00 N ATOM 62 CA ALA A 6 24.279 -3.150 -13.053 1.00 0.00 C ATOM 63 C ALA A 6 23.422 -2.418 -14.128 1.00 0.00 C ATOM 64 O ALA A 6 23.907 -1.417 -14.663 1.00 0.00 O ATOM 65 CB ALA A 6 25.162 -4.238 -13.691 1.00 0.00 C ATOM 0 H ALA A 6 23.566 -4.789 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 6 24.862 -2.332 -12.629 1.00 0.00 H new ATOM 0 HB1 ALA A 6 25.712 -3.814 -14.531 1.00 0.00 H new ATOM 0 HB2 ALA A 6 25.867 -4.615 -12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 6 24.534 -5.056 -14.044 1.00 0.00 H new ATOM 71 N ARG A 7 22.183 -2.867 -14.438 1.00 0.00 N ATOM 72 CA ARG A 7 21.235 -2.087 -15.287 1.00 0.00 C ATOM 73 C ARG A 7 20.489 -0.898 -14.593 1.00 0.00 C ATOM 74 O ARG A 7 20.088 0.017 -15.318 1.00 0.00 O ATOM 75 CB ARG A 7 20.284 -2.993 -16.113 1.00 0.00 C ATOM 76 CG ARG A 7 19.234 -3.845 -15.365 1.00 0.00 C ATOM 77 CD ARG A 7 17.852 -3.961 -16.046 1.00 0.00 C ATOM 78 NE ARG A 7 16.958 -2.815 -15.735 1.00 0.00 N ATOM 79 CZ ARG A 7 16.695 -1.779 -16.555 1.00 0.00 C ATOM 80 NH1 ARG A 7 17.213 -1.635 -17.773 1.00 0.00 N ATOM 81 NH2 ARG A 7 15.870 -0.847 -16.120 1.00 0.00 N ATOM 0 H ARG A 7 21.812 -3.761 -14.117 1.00 0.00 H new ATOM 0 HA ARG A 7 21.898 -1.580 -15.988 1.00 0.00 H new ATOM 0 HB2 ARG A 7 19.751 -2.356 -16.818 1.00 0.00 H new ATOM 0 HB3 ARG A 7 20.902 -3.672 -16.701 1.00 0.00 H new ATOM 0 HG2 ARG A 7 19.637 -4.849 -15.231 1.00 0.00 H new ATOM 0 HG3 ARG A 7 19.093 -3.423 -14.370 1.00 0.00 H new ATOM 0 HD2 ARG A 7 17.988 -4.027 -17.125 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.372 -4.887 -15.728 1.00 0.00 H new ATOM 0 HE ARG A 7 16.504 -2.813 -14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.855 -2.337 -18.140 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.968 -0.822 -18.339 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.455 -0.926 -15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.646 -0.047 -16.712 1.00 0.00 H new ATOM 95 N LEU A 8 20.299 -0.866 -13.252 1.00 0.00 N ATOM 96 CA LEU A 8 19.632 0.271 -12.558 1.00 0.00 C ATOM 97 C LEU A 8 20.506 1.547 -12.386 1.00 0.00 C ATOM 98 O LEU A 8 19.965 2.641 -12.553 1.00 0.00 O ATOM 99 CB LEU A 8 19.024 -0.140 -11.192 1.00 0.00 C ATOM 100 CG LEU A 8 17.907 -1.226 -11.114 1.00 0.00 C ATOM 101 CD1 LEU A 8 17.007 -0.968 -9.895 1.00 0.00 C ATOM 102 CD2 LEU A 8 17.039 -1.406 -12.374 1.00 0.00 C ATOM 0 H LEU A 8 20.597 -1.614 -12.626 1.00 0.00 H new ATOM 0 HA LEU A 8 18.828 0.542 -13.242 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.847 -0.480 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.625 0.765 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 8 18.451 -2.166 -11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.230 -1.731 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.607 -1.005 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.545 0.015 -9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.300 -2.187 -12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.530 -0.470 -12.602 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.672 -1.689 -13.215 1.00 0.00 H new ATOM 114 N ARG A 9 21.822 1.449 -12.093 1.00 0.00 N ATOM 115 CA ARG A 9 22.756 2.615 -12.157 1.00 0.00 C ATOM 116 C ARG A 9 22.764 3.410 -13.510 1.00 0.00 C ATOM 117 O ARG A 9 22.711 4.642 -13.493 1.00 0.00 O ATOM 118 CB ARG A 9 24.178 2.192 -11.685 1.00 0.00 C ATOM 119 CG ARG A 9 24.944 1.185 -12.579 1.00 0.00 C ATOM 120 CD ARG A 9 26.050 0.407 -11.846 1.00 0.00 C ATOM 121 NE ARG A 9 26.871 -0.373 -12.805 1.00 0.00 N ATOM 122 CZ ARG A 9 27.714 -1.366 -12.460 1.00 0.00 C ATOM 123 NH1 ARG A 9 27.909 -1.776 -11.207 1.00 0.00 N ATOM 124 NH2 ARG A 9 28.386 -1.973 -13.420 1.00 0.00 N ATOM 0 H ARG A 9 22.269 0.578 -11.809 1.00 0.00 H new ATOM 0 HA ARG A 9 22.359 3.352 -11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.786 3.092 -11.591 1.00 0.00 H new ATOM 0 HB3 ARG A 9 24.090 1.761 -10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.232 0.474 -12.999 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.388 1.724 -13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.686 1.101 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.603 -0.265 -11.113 1.00 0.00 H new ATOM 0 HE ARG A 9 26.792 -0.141 -13.795 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.404 -1.331 -10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.563 -2.535 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.259 -1.687 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.032 -2.729 -13.191 1.00 0.00 H new ATOM 138 N GLU A 10 22.761 2.696 -14.655 1.00 0.00 N ATOM 139 CA GLU A 10 22.496 3.276 -16.004 1.00 0.00 C ATOM 140 C GLU A 10 21.005 3.579 -16.393 1.00 0.00 C ATOM 141 O GLU A 10 20.790 4.140 -17.472 1.00 0.00 O ATOM 142 CB GLU A 10 23.202 2.385 -17.069 1.00 0.00 C ATOM 143 CG GLU A 10 22.756 0.904 -17.137 1.00 0.00 C ATOM 144 CD GLU A 10 23.437 0.103 -18.246 1.00 0.00 C ATOM 145 OE1 GLU A 10 22.986 0.177 -19.411 1.00 0.00 O ATOM 146 OE2 GLU A 10 24.424 -0.611 -17.958 1.00 0.00 O ATOM 0 H GLU A 10 22.943 1.693 -14.678 1.00 0.00 H new ATOM 0 HA GLU A 10 22.914 4.282 -15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.043 2.834 -18.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.275 2.410 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 10 22.963 0.428 -16.179 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.677 0.866 -17.285 1.00 0.00 H new ATOM 153 N ASP A 11 19.995 3.266 -15.548 1.00 0.00 N ATOM 154 CA ASP A 11 18.577 3.691 -15.768 1.00 0.00 C ATOM 155 C ASP A 11 18.203 5.030 -15.037 1.00 0.00 C ATOM 156 O ASP A 11 17.064 5.187 -14.598 1.00 0.00 O ATOM 157 CB ASP A 11 17.661 2.496 -15.354 1.00 0.00 C ATOM 158 CG ASP A 11 16.205 2.578 -15.838 1.00 0.00 C ATOM 159 OD1 ASP A 11 15.967 2.458 -17.059 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.296 2.758 -14.998 1.00 0.00 O ATOM 0 H ASP A 11 20.130 2.717 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 11 18.430 3.927 -16.822 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.101 1.575 -15.736 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.660 2.422 -14.267 1.00 0.00 H new ATOM 165 N GLY A 12 19.133 6.000 -14.906 1.00 0.00 N ATOM 166 CA GLY A 12 18.879 7.277 -14.180 1.00 0.00 C ATOM 167 C GLY A 12 18.643 7.264 -12.640 1.00 0.00 C ATOM 168 O GLY A 12 18.292 8.299 -12.071 1.00 0.00 O ATOM 0 H GLY A 12 20.074 5.928 -15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.728 7.934 -14.372 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.006 7.742 -14.638 1.00 0.00 H new ATOM 172 N ILE A 13 18.812 6.100 -11.997 1.00 0.00 N ATOM 173 CA ILE A 13 18.364 5.807 -10.612 1.00 0.00 C ATOM 174 C ILE A 13 19.546 5.115 -9.854 1.00 0.00 C ATOM 175 O ILE A 13 20.445 4.505 -10.441 1.00 0.00 O ATOM 176 CB ILE A 13 17.037 4.950 -10.627 1.00 0.00 C ATOM 177 CG1 ILE A 13 17.208 3.548 -11.290 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.854 5.739 -11.242 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.966 2.700 -11.588 1.00 0.00 C ATOM 0 H ILE A 13 19.279 5.305 -12.434 1.00 0.00 H new ATOM 0 HA ILE A 13 18.112 6.724 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 13 16.798 4.753 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.738 3.694 -12.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.860 2.958 -10.645 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.959 5.117 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.674 6.640 -10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.096 6.016 -12.268 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.269 1.759 -12.047 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.434 2.495 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.311 3.242 -12.270 1.00 0.00 H new ATOM 191 N GLN A 14 19.502 5.203 -8.522 1.00 0.00 N ATOM 192 CA GLN A 14 20.472 4.528 -7.613 1.00 0.00 C ATOM 193 C GLN A 14 19.746 3.441 -6.777 1.00 0.00 C ATOM 194 O GLN A 14 18.553 3.551 -6.489 1.00 0.00 O ATOM 195 CB GLN A 14 21.159 5.564 -6.683 1.00 0.00 C ATOM 196 CG GLN A 14 22.103 6.585 -7.358 1.00 0.00 C ATOM 197 CD GLN A 14 23.336 5.974 -8.054 1.00 0.00 C ATOM 198 OE1 GLN A 14 24.258 5.480 -7.405 1.00 0.00 O ATOM 199 NE2 GLN A 14 23.380 5.992 -9.379 1.00 0.00 N ATOM 0 H GLN A 14 18.793 5.745 -8.027 1.00 0.00 H new ATOM 0 HA GLN A 14 21.244 4.049 -8.216 1.00 0.00 H new ATOM 0 HB2 GLN A 14 20.381 6.117 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 14 21.729 5.020 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 14 21.533 7.152 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.445 7.294 -6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.612 6.403 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 14 24.182 5.595 -9.868 1.00 0.00 H new ATOM 208 N LYS A 15 20.502 2.401 -6.385 1.00 0.00 N ATOM 209 CA LYS A 15 19.987 1.219 -5.646 1.00 0.00 C ATOM 210 C LYS A 15 20.902 0.904 -4.425 1.00 0.00 C ATOM 211 O LYS A 15 22.134 0.930 -4.523 1.00 0.00 O ATOM 212 CB LYS A 15 19.747 -0.009 -6.578 1.00 0.00 C ATOM 213 CG LYS A 15 20.645 -0.235 -7.820 1.00 0.00 C ATOM 214 CD LYS A 15 22.129 -0.576 -7.564 1.00 0.00 C ATOM 215 CE LYS A 15 23.173 0.269 -8.318 1.00 0.00 C ATOM 216 NZ LYS A 15 23.387 1.607 -7.737 1.00 0.00 N ATOM 0 H LYS A 15 21.503 2.350 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 15 19.000 1.464 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.821 -0.903 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.717 0.050 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.210 -1.042 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.606 0.665 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.321 -0.480 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.287 -1.623 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.122 -0.268 -8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.857 0.380 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.361 1.917 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.718 2.281 -8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.233 1.568 -6.709 1.00 0.00 H new ATOM 230 N ARG A 16 20.278 0.617 -3.262 1.00 0.00 N ATOM 231 CA ARG A 16 20.995 0.373 -1.984 1.00 0.00 C ATOM 232 C ARG A 16 20.132 -0.599 -1.130 1.00 0.00 C ATOM 233 O ARG A 16 19.005 -0.267 -0.747 1.00 0.00 O ATOM 234 CB ARG A 16 21.263 1.725 -1.262 1.00 0.00 C ATOM 235 CG ARG A 16 22.026 1.615 0.078 1.00 0.00 C ATOM 236 CD ARG A 16 22.208 2.979 0.766 1.00 0.00 C ATOM 237 NE ARG A 16 22.840 2.816 2.097 1.00 0.00 N ATOM 238 CZ ARG A 16 23.046 3.820 2.971 1.00 0.00 C ATOM 239 NH1 ARG A 16 22.727 5.092 2.734 1.00 0.00 N ATOM 240 NH2 ARG A 16 23.599 3.527 4.134 1.00 0.00 N ATOM 0 H ARG A 16 19.264 0.547 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 16 21.968 -0.086 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.830 2.371 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.307 2.216 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.486 0.944 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.004 1.168 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.824 3.627 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.240 3.469 0.875 1.00 0.00 H new ATOM 0 HE ARG A 16 23.139 1.880 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.299 5.354 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.911 5.804 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.856 2.564 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.769 4.264 4.818 1.00 0.00 H new ATOM 254 N VAL A 17 20.701 -1.774 -0.798 1.00 0.00 N ATOM 255 CA VAL A 17 20.045 -2.789 0.075 1.00 0.00 C ATOM 256 C VAL A 17 20.516 -2.632 1.550 1.00 0.00 C ATOM 257 O VAL A 17 21.713 -2.510 1.834 1.00 0.00 O ATOM 258 CB VAL A 17 20.206 -4.231 -0.521 1.00 0.00 C ATOM 259 CG1 VAL A 17 21.642 -4.795 -0.514 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.278 -5.268 0.149 1.00 0.00 C ATOM 0 H VAL A 17 21.627 -2.054 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 17 18.969 -2.614 0.098 1.00 0.00 H new ATOM 0 HB VAL A 17 19.917 -4.081 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.642 -5.795 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.291 -4.145 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 17 22.009 -4.843 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.436 -6.246 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.503 -5.323 1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.239 -4.968 0.013 1.00 0.00 H new ATOM 270 N ILE A 18 19.546 -2.697 2.479 1.00 0.00 N ATOM 271 CA ILE A 18 19.809 -2.742 3.941 1.00 0.00 C ATOM 272 C ILE A 18 20.112 -4.228 4.342 1.00 0.00 C ATOM 273 O ILE A 18 21.239 -4.521 4.748 1.00 0.00 O ATOM 274 CB ILE A 18 18.651 -2.071 4.763 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.149 -0.678 4.255 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.047 -1.921 6.255 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.623 -0.605 4.131 1.00 0.00 C ATOM 0 H ILE A 18 18.554 -2.720 2.244 1.00 0.00 H new ATOM 0 HA ILE A 18 20.687 -2.146 4.190 1.00 0.00 H new ATOM 0 HB ILE A 18 17.820 -2.763 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.491 0.098 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.598 -0.467 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.229 -1.454 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.252 -2.905 6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 18 19.939 -1.299 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.334 0.384 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.279 -1.360 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.170 -0.786 5.106 1.00 0.00 H new ATOM 289 N GLN A 19 19.119 -5.138 4.215 1.00 0.00 N ATOM 290 CA GLN A 19 19.271 -6.579 4.534 1.00 0.00 C ATOM 291 C GLN A 19 19.000 -7.391 3.243 1.00 0.00 C ATOM 292 O GLN A 19 17.858 -7.478 2.783 1.00 0.00 O ATOM 293 CB GLN A 19 18.292 -7.013 5.658 1.00 0.00 C ATOM 294 CG GLN A 19 18.560 -6.435 7.074 1.00 0.00 C ATOM 295 CD GLN A 19 17.444 -5.530 7.612 1.00 0.00 C ATOM 296 OE1 GLN A 19 16.856 -5.774 8.665 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.135 -4.473 6.886 1.00 0.00 N ATOM 0 H GLN A 19 18.185 -4.893 3.887 1.00 0.00 H new ATOM 0 HA GLN A 19 20.282 -6.766 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.283 -6.729 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.310 -8.101 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.707 -7.262 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.491 -5.869 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.634 -4.288 6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.397 -3.840 7.195 1.00 0.00 H new ATOM 306 N GLU A 20 20.051 -8.035 2.699 1.00 0.00 N ATOM 307 CA GLU A 20 19.919 -9.044 1.609 1.00 0.00 C ATOM 308 C GLU A 20 19.122 -10.293 2.096 1.00 0.00 C ATOM 309 O GLU A 20 19.500 -10.939 3.079 1.00 0.00 O ATOM 310 CB GLU A 20 21.321 -9.456 1.092 1.00 0.00 C ATOM 311 CG GLU A 20 22.041 -8.366 0.273 1.00 0.00 C ATOM 312 CD GLU A 20 23.414 -8.807 -0.237 1.00 0.00 C ATOM 313 OE1 GLU A 20 23.492 -9.388 -1.342 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.423 -8.574 0.466 1.00 0.00 O ATOM 0 H GLU A 20 21.014 -7.877 2.995 1.00 0.00 H new ATOM 0 HA GLU A 20 19.362 -8.593 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.945 -9.725 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.220 -10.350 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.417 -8.087 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.158 -7.475 0.889 1.00 0.00 H new ATOM 321 N GLY A 21 17.993 -10.573 1.425 1.00 0.00 N ATOM 322 CA GLY A 21 16.947 -11.466 1.968 1.00 0.00 C ATOM 323 C GLY A 21 17.186 -12.986 1.881 1.00 0.00 C ATOM 324 O GLY A 21 18.294 -13.477 2.121 1.00 0.00 O ATOM 0 H GLY A 21 17.778 -10.194 0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.799 -11.209 3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.014 -11.243 1.450 1.00 0.00 H new ATOM 328 N ARG A 22 16.092 -13.715 1.611 1.00 0.00 N ATOM 329 CA ARG A 22 16.043 -15.195 1.735 1.00 0.00 C ATOM 330 C ARG A 22 15.643 -15.830 0.373 1.00 0.00 C ATOM 331 O ARG A 22 14.728 -15.368 -0.320 1.00 0.00 O ATOM 332 CB ARG A 22 15.039 -15.645 2.838 1.00 0.00 C ATOM 333 CG ARG A 22 15.443 -15.387 4.309 1.00 0.00 C ATOM 334 CD ARG A 22 15.118 -13.975 4.844 1.00 0.00 C ATOM 335 NE ARG A 22 15.487 -13.822 6.274 1.00 0.00 N ATOM 336 CZ ARG A 22 14.655 -14.026 7.316 1.00 0.00 C ATOM 337 NH1 ARG A 22 13.380 -14.390 7.193 1.00 0.00 N ATOM 338 NH2 ARG A 22 15.135 -13.859 8.534 1.00 0.00 N ATOM 0 H ARG A 22 15.212 -13.303 1.300 1.00 0.00 H new ATOM 0 HA ARG A 22 17.037 -15.537 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.089 -15.143 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.863 -16.714 2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.942 -16.121 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.515 -15.558 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.650 -13.231 4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.053 -13.777 4.721 1.00 0.00 H new ATOM 0 HE ARG A 22 16.444 -13.541 6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.977 -14.532 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.806 -14.527 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.108 -13.584 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.533 -14.005 9.344 1.00 0.00 H new ATOM 393 N PRO A 26 12.748 -14.440 -8.238 1.00 0.00 N ATOM 394 CA PRO A 26 11.866 -15.006 -9.300 1.00 0.00 C ATOM 395 C PRO A 26 11.931 -14.247 -10.667 1.00 0.00 C ATOM 396 O PRO A 26 12.858 -13.472 -10.927 1.00 0.00 O ATOM 397 CB PRO A 26 10.498 -15.011 -8.579 1.00 0.00 C ATOM 398 CG PRO A 26 10.544 -13.833 -7.614 1.00 0.00 C ATOM 399 CD PRO A 26 11.993 -13.805 -7.140 1.00 0.00 C ATOM 0 HA PRO A 26 12.156 -15.997 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.679 -14.904 -9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.338 -15.949 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.267 -12.901 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.854 -13.971 -6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.333 -12.785 -6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.116 -14.351 -6.205 1.00 0.00 H new ATOM 407 N ASP A 27 10.961 -14.519 -11.561 1.00 0.00 N ATOM 408 CA ASP A 27 10.949 -13.989 -12.956 1.00 0.00 C ATOM 409 C ASP A 27 10.893 -12.436 -13.080 1.00 0.00 C ATOM 410 O ASP A 27 11.714 -11.866 -13.807 1.00 0.00 O ATOM 411 CB ASP A 27 9.796 -14.635 -13.780 1.00 0.00 C ATOM 412 CG ASP A 27 9.933 -16.142 -14.044 1.00 0.00 C ATOM 413 OD1 ASP A 27 10.558 -16.524 -15.056 1.00 0.00 O ATOM 414 OD2 ASP A 27 9.417 -16.946 -13.236 1.00 0.00 O ATOM 0 H ASP A 27 10.159 -15.112 -11.345 1.00 0.00 H new ATOM 0 HA ASP A 27 11.917 -14.274 -13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.857 -14.460 -13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.726 -14.121 -14.739 1.00 0.00 H new ATOM 419 N PHE A 28 9.922 -11.767 -12.420 1.00 0.00 N ATOM 420 CA PHE A 28 9.617 -10.316 -12.619 1.00 0.00 C ATOM 421 C PHE A 28 9.259 -9.923 -14.087 1.00 0.00 C ATOM 422 O PHE A 28 9.834 -8.995 -14.666 1.00 0.00 O ATOM 423 CB PHE A 28 10.676 -9.394 -11.951 1.00 0.00 C ATOM 424 CG PHE A 28 10.701 -9.429 -10.414 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.765 -8.688 -9.684 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.672 -10.169 -9.732 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.797 -8.691 -8.293 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.710 -10.160 -8.340 1.00 0.00 C ATOM 429 CZ PHE A 28 10.767 -9.428 -7.623 1.00 0.00 C ATOM 0 H PHE A 28 9.319 -12.213 -11.728 1.00 0.00 H new ATOM 0 HA PHE A 28 8.685 -10.138 -12.082 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.662 -9.674 -12.321 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.495 -8.368 -12.272 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.014 -8.111 -10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.395 -10.749 -10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.069 -8.121 -7.734 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.471 -10.721 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.789 -9.433 -6.543 1.00 0.00 H new ATOM 439 N GLN A 29 8.273 -10.640 -14.654 1.00 0.00 N ATOM 440 CA GLN A 29 7.756 -10.412 -16.024 1.00 0.00 C ATOM 441 C GLN A 29 6.210 -10.183 -15.978 1.00 0.00 C ATOM 442 O GLN A 29 5.642 -9.955 -14.905 1.00 0.00 O ATOM 443 CB GLN A 29 8.189 -11.620 -16.918 1.00 0.00 C ATOM 444 CG GLN A 29 9.701 -11.901 -17.088 1.00 0.00 C ATOM 445 CD GLN A 29 10.439 -10.883 -17.973 1.00 0.00 C ATOM 446 OE1 GLN A 29 10.249 -10.836 -19.189 1.00 0.00 O ATOM 447 NE2 GLN A 29 11.294 -10.057 -17.394 1.00 0.00 N ATOM 0 H GLN A 29 7.803 -11.406 -14.171 1.00 0.00 H new ATOM 0 HA GLN A 29 8.176 -9.509 -16.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.728 -12.519 -16.509 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.765 -11.468 -17.911 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.169 -11.915 -16.104 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.828 -12.896 -17.516 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.445 -10.103 -16.386 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.803 -9.374 -17.955 1.00 0.00 H new ATOM 456 N ASP A 30 5.524 -10.201 -17.143 1.00 0.00 N ATOM 457 CA ASP A 30 4.075 -9.858 -17.258 1.00 0.00 C ATOM 458 C ASP A 30 3.134 -10.814 -16.455 1.00 0.00 C ATOM 459 O ASP A 30 2.785 -11.908 -16.910 1.00 0.00 O ATOM 460 CB ASP A 30 3.654 -9.673 -18.744 1.00 0.00 C ATOM 461 CG ASP A 30 3.771 -10.884 -19.689 1.00 0.00 C ATOM 462 OD1 ASP A 30 4.883 -11.151 -20.196 1.00 0.00 O ATOM 463 OD2 ASP A 30 2.752 -11.568 -19.927 1.00 0.00 O ATOM 0 H ASP A 30 5.953 -10.453 -18.034 1.00 0.00 H new ATOM 0 HA ASP A 30 3.944 -8.892 -16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.616 -9.339 -18.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.254 -8.865 -19.162 1.00 0.00 H new ATOM 468 N GLY A 31 2.774 -10.373 -15.239 1.00 0.00 N ATOM 469 CA GLY A 31 2.008 -11.183 -14.271 1.00 0.00 C ATOM 470 C GLY A 31 2.827 -11.767 -13.100 1.00 0.00 C ATOM 471 O GLY A 31 2.514 -12.881 -12.678 1.00 0.00 O ATOM 0 H GLY A 31 3.006 -9.441 -14.896 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.208 -10.567 -13.861 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.534 -12.006 -14.806 1.00 0.00 H new ATOM 475 N THR A 32 3.817 -11.040 -12.533 1.00 0.00 N ATOM 476 CA THR A 32 4.473 -11.438 -11.268 1.00 0.00 C ATOM 477 C THR A 32 3.748 -10.614 -10.171 1.00 0.00 C ATOM 478 O THR A 32 3.651 -9.385 -10.226 1.00 0.00 O ATOM 479 CB THR A 32 6.014 -11.236 -11.362 1.00 0.00 C ATOM 480 OG1 THR A 32 6.598 -12.318 -12.076 1.00 0.00 O ATOM 481 CG2 THR A 32 6.752 -11.126 -10.015 1.00 0.00 C ATOM 0 H THR A 32 4.179 -10.174 -12.933 1.00 0.00 H new ATOM 0 HA THR A 32 4.383 -12.498 -11.030 1.00 0.00 H new ATOM 0 HB THR A 32 6.131 -10.278 -11.868 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.354 -12.677 -11.566 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.818 -10.987 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.364 -10.274 -9.456 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.597 -12.039 -9.439 1.00 0.00 H new ATOM 489 N LYS A 33 3.247 -11.326 -9.162 1.00 0.00 N ATOM 490 CA LYS A 33 2.550 -10.716 -8.013 1.00 0.00 C ATOM 491 C LYS A 33 3.568 -10.504 -6.862 1.00 0.00 C ATOM 492 O LYS A 33 3.808 -11.399 -6.050 1.00 0.00 O ATOM 493 CB LYS A 33 1.392 -11.692 -7.677 1.00 0.00 C ATOM 494 CG LYS A 33 0.590 -11.447 -6.383 1.00 0.00 C ATOM 495 CD LYS A 33 -0.505 -10.360 -6.427 1.00 0.00 C ATOM 496 CE LYS A 33 -0.041 -8.892 -6.482 1.00 0.00 C ATOM 497 NZ LYS A 33 0.875 -8.519 -5.389 1.00 0.00 N ATOM 0 H LYS A 33 3.309 -12.343 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 33 2.133 -9.728 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.691 -11.678 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.808 -12.698 -7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.121 -12.387 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.294 -11.185 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.133 -10.548 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.137 -10.481 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.454 -8.712 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.916 -8.242 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.012 -7.488 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.468 -8.816 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.792 -8.990 -5.529 1.00 0.00 H new ATOM 511 N ALA A 34 4.120 -9.286 -6.806 1.00 0.00 N ATOM 512 CA ALA A 34 5.075 -8.871 -5.753 1.00 0.00 C ATOM 513 C ALA A 34 4.330 -8.160 -4.591 1.00 0.00 C ATOM 514 O ALA A 34 3.801 -7.056 -4.747 1.00 0.00 O ATOM 515 CB ALA A 34 6.152 -7.986 -6.407 1.00 0.00 C ATOM 0 H ALA A 34 3.921 -8.554 -7.488 1.00 0.00 H new ATOM 0 HA ALA A 34 5.564 -9.737 -5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.869 -7.667 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.669 -8.554 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.681 -7.110 -6.853 1.00 0.00 H new ATOM 521 N THR A 35 4.301 -8.833 -3.428 1.00 0.00 N ATOM 522 CA THR A 35 3.638 -8.336 -2.189 1.00 0.00 C ATOM 523 C THR A 35 4.750 -7.836 -1.224 1.00 0.00 C ATOM 524 O THR A 35 5.663 -8.581 -0.849 1.00 0.00 O ATOM 525 CB THR A 35 2.778 -9.479 -1.570 1.00 0.00 C ATOM 526 OG1 THR A 35 1.763 -9.874 -2.489 1.00 0.00 O ATOM 527 CG2 THR A 35 2.077 -9.101 -0.254 1.00 0.00 C ATOM 0 H THR A 35 4.738 -9.747 -3.310 1.00 0.00 H new ATOM 0 HA THR A 35 2.961 -7.507 -2.396 1.00 0.00 H new ATOM 0 HB THR A 35 3.483 -10.282 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.227 -10.594 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.500 -9.952 0.109 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.824 -8.825 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.409 -8.257 -0.427 1.00 0.00 H new ATOM 535 N PHE A 36 4.657 -6.557 -0.835 1.00 0.00 N ATOM 536 CA PHE A 36 5.732 -5.860 -0.072 1.00 0.00 C ATOM 537 C PHE A 36 5.164 -4.607 0.662 1.00 0.00 C ATOM 538 O PHE A 36 4.051 -4.150 0.398 1.00 0.00 O ATOM 539 CB PHE A 36 6.969 -5.549 -0.981 1.00 0.00 C ATOM 540 CG PHE A 36 6.750 -4.735 -2.259 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.439 -5.398 -3.448 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.808 -3.341 -2.247 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.133 -4.672 -4.589 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.499 -2.615 -3.388 1.00 0.00 C ATOM 545 CZ PHE A 36 6.150 -3.279 -4.556 1.00 0.00 C ATOM 0 H PHE A 36 3.846 -5.970 -1.032 1.00 0.00 H new ATOM 0 HA PHE A 36 6.102 -6.529 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.703 -5.020 -0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.418 -6.500 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.437 -6.478 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.095 -2.824 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.881 -5.187 -5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.530 -1.536 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.891 -2.715 -5.440 1.00 0.00 H new ATOM 555 N HIS A 37 5.954 -4.028 1.579 1.00 0.00 N ATOM 556 CA HIS A 37 5.675 -2.690 2.178 1.00 0.00 C ATOM 557 C HIS A 37 6.383 -1.537 1.415 1.00 0.00 C ATOM 558 O HIS A 37 7.329 -1.762 0.666 1.00 0.00 O ATOM 559 CB HIS A 37 6.154 -2.732 3.648 1.00 0.00 C ATOM 560 CG HIS A 37 5.194 -3.421 4.606 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.025 -2.837 5.024 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.409 -4.619 5.308 1.00 0.00 C ATOM 563 CE1 HIS A 37 3.650 -3.726 5.979 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.395 -4.850 6.227 1.00 0.00 N ATOM 0 H HIS A 37 6.806 -4.464 1.933 1.00 0.00 H new ATOM 0 HA HIS A 37 4.606 -2.486 2.113 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.116 -3.242 3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.320 -1.711 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.253 -5.275 5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.752 -3.545 6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.249 -5.617 6.883 1.00 0.00 H new ATOM 572 N TYR A 38 5.917 -0.292 1.619 1.00 0.00 N ATOM 573 CA TYR A 38 6.451 0.914 0.916 1.00 0.00 C ATOM 574 C TYR A 38 6.417 2.142 1.871 1.00 0.00 C ATOM 575 O TYR A 38 5.468 2.320 2.642 1.00 0.00 O ATOM 576 CB TYR A 38 5.679 1.124 -0.431 1.00 0.00 C ATOM 577 CG TYR A 38 4.431 2.038 -0.452 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.196 1.608 0.038 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.548 3.337 -0.955 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.085 2.448 -0.011 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.444 4.185 -0.990 1.00 0.00 C ATOM 582 CZ TYR A 38 2.210 3.736 -0.531 1.00 0.00 C ATOM 583 OH TYR A 38 1.111 4.549 -0.617 1.00 0.00 O ATOM 0 H TYR A 38 5.162 -0.082 2.272 1.00 0.00 H new ATOM 0 HA TYR A 38 7.498 0.774 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.388 1.521 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.372 0.142 -0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.101 0.617 0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.503 3.686 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.129 2.102 0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.546 5.190 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 38 1.372 5.412 -1.001 1.00 0.00 H new ATOM 593 N ARG A 39 7.429 3.019 1.773 1.00 0.00 N ATOM 594 CA ARG A 39 7.518 4.232 2.628 1.00 0.00 C ATOM 595 C ARG A 39 8.211 5.338 1.806 1.00 0.00 C ATOM 596 O ARG A 39 9.441 5.394 1.699 1.00 0.00 O ATOM 597 CB ARG A 39 8.252 3.907 3.952 1.00 0.00 C ATOM 598 CG ARG A 39 7.899 4.794 5.173 1.00 0.00 C ATOM 599 CD ARG A 39 8.979 5.804 5.596 1.00 0.00 C ATOM 600 NE ARG A 39 10.226 5.139 6.057 1.00 0.00 N ATOM 601 CZ ARG A 39 11.180 5.725 6.804 1.00 0.00 C ATOM 602 NH1 ARG A 39 11.116 6.979 7.244 1.00 0.00 N ATOM 603 NH2 ARG A 39 12.244 5.009 7.120 1.00 0.00 N ATOM 0 H ARG A 39 8.200 2.918 1.113 1.00 0.00 H new ATOM 0 HA ARG A 39 6.529 4.586 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.043 2.869 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.325 3.982 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.983 5.341 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.683 4.144 6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.209 6.459 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.590 6.435 6.395 1.00 0.00 H new ATOM 0 HE ARG A 39 10.369 4.166 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.307 7.558 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.876 7.361 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.323 4.044 6.799 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.987 5.421 7.685 1.00 0.00 H new ATOM 617 N THR A 40 7.388 6.219 1.224 1.00 0.00 N ATOM 618 CA THR A 40 7.866 7.345 0.391 1.00 0.00 C ATOM 619 C THR A 40 8.148 8.554 1.314 1.00 0.00 C ATOM 620 O THR A 40 7.257 9.033 2.023 1.00 0.00 O ATOM 621 CB THR A 40 6.857 7.693 -0.736 1.00 0.00 C ATOM 622 OG1 THR A 40 5.587 8.060 -0.221 1.00 0.00 O ATOM 623 CG2 THR A 40 6.643 6.543 -1.719 1.00 0.00 C ATOM 0 H THR A 40 6.373 6.177 1.313 1.00 0.00 H new ATOM 0 HA THR A 40 8.788 7.059 -0.115 1.00 0.00 H new ATOM 0 HB THR A 40 7.309 8.536 -1.259 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.902 7.914 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.928 6.846 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.591 6.286 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.257 5.675 -1.185 1.00 0.00 H new ATOM 631 N LEU A 41 9.400 9.022 1.304 1.00 0.00 N ATOM 632 CA LEU A 41 9.820 10.225 2.053 1.00 0.00 C ATOM 633 C LEU A 41 10.752 11.098 1.171 1.00 0.00 C ATOM 634 O LEU A 41 11.471 10.605 0.299 1.00 0.00 O ATOM 635 CB LEU A 41 10.389 9.822 3.444 1.00 0.00 C ATOM 636 CG LEU A 41 11.825 9.230 3.542 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.492 9.636 4.871 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.848 7.701 3.371 1.00 0.00 C ATOM 0 H LEU A 41 10.156 8.582 0.779 1.00 0.00 H new ATOM 0 HA LEU A 41 8.966 10.864 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.357 10.707 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.705 9.093 3.878 1.00 0.00 H new ATOM 0 HG LEU A 41 12.396 9.651 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.495 9.212 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.554 10.723 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.899 9.261 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.874 7.342 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.242 7.239 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.444 7.438 2.393 1.00 0.00 H new ATOM 650 N HIS A 42 10.765 12.413 1.430 1.00 0.00 N ATOM 651 CA HIS A 42 11.601 13.388 0.679 1.00 0.00 C ATOM 652 C HIS A 42 13.110 13.189 0.996 1.00 0.00 C ATOM 653 O HIS A 42 13.504 13.028 2.156 1.00 0.00 O ATOM 654 CB HIS A 42 11.117 14.829 1.006 1.00 0.00 C ATOM 655 CG HIS A 42 9.818 15.218 0.291 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.542 14.984 0.774 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.742 15.764 -0.999 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.800 15.434 -0.282 1.00 0.00 C ATOM 659 NE2 HIS A 42 8.424 15.921 -1.402 1.00 0.00 N ATOM 0 H HIS A 42 10.200 12.841 2.164 1.00 0.00 H new ATOM 0 HA HIS A 42 11.487 13.221 -0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.970 14.918 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.899 15.537 0.731 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.599 16.028 -1.601 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.721 15.406 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.036 16.288 -2.271 1.00 0.00 H new ATOM 667 N SER A 43 13.935 13.150 -0.067 1.00 0.00 N ATOM 668 CA SER A 43 15.367 12.754 0.032 1.00 0.00 C ATOM 669 C SER A 43 16.253 13.825 0.737 1.00 0.00 C ATOM 670 O SER A 43 16.807 13.546 1.805 1.00 0.00 O ATOM 671 CB SER A 43 15.871 12.350 -1.375 1.00 0.00 C ATOM 672 OG SER A 43 17.172 11.779 -1.302 1.00 0.00 O ATOM 0 H SER A 43 13.639 13.388 -1.014 1.00 0.00 H new ATOM 0 HA SER A 43 15.452 11.887 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.180 11.635 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.889 13.225 -2.025 1.00 0.00 H new ATOM 0 HG SER A 43 17.471 11.529 -2.201 1.00 0.00 H new ATOM 678 N ASP A 44 16.363 15.029 0.149 1.00 0.00 N ATOM 679 CA ASP A 44 17.077 16.194 0.756 1.00 0.00 C ATOM 680 C ASP A 44 16.275 17.534 0.735 1.00 0.00 C ATOM 681 O ASP A 44 16.632 18.444 1.490 1.00 0.00 O ATOM 682 CB ASP A 44 18.460 16.402 0.077 1.00 0.00 C ATOM 683 CG ASP A 44 19.496 15.297 0.342 1.00 0.00 C ATOM 684 OD1 ASP A 44 20.118 15.296 1.427 1.00 0.00 O ATOM 685 OD2 ASP A 44 19.681 14.421 -0.533 1.00 0.00 O ATOM 0 H ASP A 44 15.961 15.235 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 44 17.202 15.933 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.309 16.485 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.873 17.353 0.415 1.00 0.00 H new ATOM 690 N ASP A 45 15.209 17.668 -0.082 1.00 0.00 N ATOM 691 CA ASP A 45 14.327 18.871 -0.136 1.00 0.00 C ATOM 692 C ASP A 45 13.701 19.310 1.226 1.00 0.00 C ATOM 693 O ASP A 45 13.783 20.493 1.569 1.00 0.00 O ATOM 694 CB ASP A 45 13.210 18.645 -1.192 1.00 0.00 C ATOM 695 CG ASP A 45 13.685 18.534 -2.650 1.00 0.00 C ATOM 696 OD1 ASP A 45 13.827 19.580 -3.322 1.00 0.00 O ATOM 697 OD2 ASP A 45 13.915 17.400 -3.127 1.00 0.00 O ATOM 0 H ASP A 45 14.926 16.937 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 45 14.979 19.698 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.671 17.734 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.498 19.467 -1.123 1.00 0.00 H new ATOM 702 N GLU A 46 13.110 18.370 1.990 1.00 0.00 N ATOM 703 CA GLU A 46 12.655 18.608 3.388 1.00 0.00 C ATOM 704 C GLU A 46 13.150 17.502 4.378 1.00 0.00 C ATOM 705 O GLU A 46 13.361 17.808 5.555 1.00 0.00 O ATOM 706 CB GLU A 46 11.102 18.777 3.427 1.00 0.00 C ATOM 707 CG GLU A 46 10.554 19.891 4.348 1.00 0.00 C ATOM 708 CD GLU A 46 10.799 19.704 5.849 1.00 0.00 C ATOM 709 OE1 GLU A 46 10.033 18.962 6.502 1.00 0.00 O ATOM 710 OE2 GLU A 46 11.760 20.302 6.381 1.00 0.00 O ATOM 0 H GLU A 46 12.931 17.421 1.661 1.00 0.00 H new ATOM 0 HA GLU A 46 13.110 19.537 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.754 18.971 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.663 17.829 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.999 20.838 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.480 19.975 4.183 1.00 0.00 H new ATOM 717 N GLY A 47 13.275 16.232 3.939 1.00 0.00 N ATOM 718 CA GLY A 47 13.338 15.068 4.850 1.00 0.00 C ATOM 719 C GLY A 47 11.991 14.489 5.376 1.00 0.00 C ATOM 720 O GLY A 47 12.031 13.595 6.227 1.00 0.00 O ATOM 0 H GLY A 47 13.335 15.985 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.870 14.267 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.942 15.349 5.713 1.00 0.00 H new ATOM 724 N THR A 48 10.828 14.981 4.900 1.00 0.00 N ATOM 725 CA THR A 48 9.491 14.623 5.452 1.00 0.00 C ATOM 726 C THR A 48 8.915 13.335 4.805 1.00 0.00 C ATOM 727 O THR A 48 8.988 13.152 3.588 1.00 0.00 O ATOM 728 CB THR A 48 8.526 15.840 5.318 1.00 0.00 C ATOM 729 OG1 THR A 48 7.358 15.614 6.100 1.00 0.00 O ATOM 730 CG2 THR A 48 8.077 16.208 3.890 1.00 0.00 C ATOM 0 H THR A 48 10.782 15.639 4.122 1.00 0.00 H new ATOM 0 HA THR A 48 9.604 14.391 6.511 1.00 0.00 H new ATOM 0 HB THR A 48 9.120 16.684 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.754 16.381 6.015 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.410 17.069 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.950 16.453 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.553 15.363 3.444 1.00 0.00 H new ATOM 738 N VAL A 49 8.270 12.493 5.627 1.00 0.00 N ATOM 739 CA VAL A 49 7.545 11.287 5.144 1.00 0.00 C ATOM 740 C VAL A 49 6.130 11.715 4.674 1.00 0.00 C ATOM 741 O VAL A 49 5.283 12.152 5.459 1.00 0.00 O ATOM 742 CB VAL A 49 7.616 10.084 6.138 1.00 0.00 C ATOM 743 CG1 VAL A 49 7.164 10.407 7.578 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.870 8.829 5.630 1.00 0.00 C ATOM 0 H VAL A 49 8.231 12.619 6.638 1.00 0.00 H new ATOM 0 HA VAL A 49 8.048 10.868 4.272 1.00 0.00 H new ATOM 0 HB VAL A 49 8.683 9.866 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.248 9.512 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.797 11.193 7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.128 10.744 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.958 8.030 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.817 9.068 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.308 8.502 4.687 1.00 0.00 H new ATOM 754 N LEU A 50 5.931 11.570 3.358 1.00 0.00 N ATOM 755 CA LEU A 50 4.637 11.826 2.691 1.00 0.00 C ATOM 756 C LEU A 50 3.645 10.619 2.722 1.00 0.00 C ATOM 757 O LEU A 50 2.434 10.845 2.786 1.00 0.00 O ATOM 758 CB LEU A 50 4.922 12.346 1.251 1.00 0.00 C ATOM 759 CG LEU A 50 5.494 11.335 0.214 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.486 11.010 -0.892 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.824 11.782 -0.407 1.00 0.00 C ATOM 0 H LEU A 50 6.665 11.270 2.717 1.00 0.00 H new ATOM 0 HA LEU A 50 4.107 12.591 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.991 12.747 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.621 13.179 1.328 1.00 0.00 H new ATOM 0 HG LEU A 50 5.691 10.429 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.929 10.301 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.590 10.573 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.220 11.925 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.164 11.030 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.684 12.733 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.570 11.901 0.378 1.00 0.00 H new ATOM 773 N ASP A 51 4.154 9.366 2.647 1.00 0.00 N ATOM 774 CA ASP A 51 3.325 8.138 2.643 1.00 0.00 C ATOM 775 C ASP A 51 4.100 6.994 3.363 1.00 0.00 C ATOM 776 O ASP A 51 5.331 6.912 3.300 1.00 0.00 O ATOM 777 CB ASP A 51 2.901 7.746 1.196 1.00 0.00 C ATOM 778 CG ASP A 51 1.442 7.292 1.067 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.053 6.297 1.720 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.677 7.925 0.306 1.00 0.00 O ATOM 0 H ASP A 51 5.155 9.179 2.587 1.00 0.00 H new ATOM 0 HA ASP A 51 2.400 8.323 3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.063 8.600 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.551 6.945 0.844 1.00 0.00 H new ATOM 785 N ASP A 52 3.368 6.113 4.066 1.00 0.00 N ATOM 786 CA ASP A 52 3.956 5.095 4.968 1.00 0.00 C ATOM 787 C ASP A 52 2.969 3.903 5.114 1.00 0.00 C ATOM 788 O ASP A 52 1.785 4.086 5.415 1.00 0.00 O ATOM 789 CB ASP A 52 4.383 5.722 6.324 1.00 0.00 C ATOM 790 CG ASP A 52 3.324 6.489 7.146 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.404 5.854 7.710 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.410 7.734 7.219 1.00 0.00 O ATOM 0 H ASP A 52 2.349 6.083 4.028 1.00 0.00 H new ATOM 0 HA ASP A 52 4.875 4.702 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.774 4.921 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.209 6.405 6.128 1.00 0.00 H new ATOM 797 N SER A 53 3.491 2.685 4.892 1.00 0.00 N ATOM 798 CA SER A 53 2.697 1.421 4.924 1.00 0.00 C ATOM 799 C SER A 53 3.143 0.444 6.045 1.00 0.00 C ATOM 800 O SER A 53 2.291 -0.041 6.791 1.00 0.00 O ATOM 801 CB SER A 53 2.741 0.779 3.523 1.00 0.00 C ATOM 802 OG SER A 53 1.823 -0.293 3.399 1.00 0.00 O ATOM 0 H SER A 53 4.478 2.537 4.684 1.00 0.00 H new ATOM 0 HA SER A 53 1.665 1.663 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.518 1.536 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.749 0.417 3.322 1.00 0.00 H new ATOM 0 HG SER A 53 1.469 -0.525 4.283 1.00 0.00 H new ATOM 808 N ARG A 54 4.455 0.163 6.174 1.00 0.00 N ATOM 809 CA ARG A 54 5.057 -0.512 7.353 1.00 0.00 C ATOM 810 C ARG A 54 5.010 0.265 8.701 1.00 0.00 C ATOM 811 O ARG A 54 4.998 -0.377 9.756 1.00 0.00 O ATOM 812 CB ARG A 54 6.511 -0.983 7.031 1.00 0.00 C ATOM 813 CG ARG A 54 7.464 -0.051 6.229 1.00 0.00 C ATOM 814 CD ARG A 54 7.945 1.241 6.909 1.00 0.00 C ATOM 815 NE ARG A 54 8.777 1.003 8.114 1.00 0.00 N ATOM 816 CZ ARG A 54 9.190 1.972 8.953 1.00 0.00 C ATOM 817 NH1 ARG A 54 8.879 3.260 8.815 1.00 0.00 N ATOM 818 NH2 ARG A 54 9.950 1.623 9.974 1.00 0.00 N ATOM 0 H ARG A 54 5.140 0.399 5.456 1.00 0.00 H new ATOM 0 HA ARG A 54 4.406 -1.368 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.998 -1.208 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.435 -1.921 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.344 -0.631 5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.960 0.226 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.519 1.828 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.078 1.839 7.189 1.00 0.00 H new ATOM 0 HE ARG A 54 9.054 0.043 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.294 3.563 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.226 3.943 9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.207 0.645 10.108 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.281 2.331 10.629 1.00 0.00 H new ATOM 832 N ALA A 55 4.935 1.612 8.676 1.00 0.00 N ATOM 833 CA ALA A 55 4.552 2.418 9.860 1.00 0.00 C ATOM 834 C ALA A 55 3.114 2.155 10.412 1.00 0.00 C ATOM 835 O ALA A 55 2.917 2.125 11.630 1.00 0.00 O ATOM 836 CB ALA A 55 4.718 3.903 9.507 1.00 0.00 C ATOM 0 H ALA A 55 5.135 2.169 7.845 1.00 0.00 H new ATOM 0 HA ALA A 55 5.215 2.112 10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.441 4.514 10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.757 4.100 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.074 4.150 8.663 1.00 0.00 H new ATOM 842 N ARG A 56 2.137 1.934 9.509 1.00 0.00 N ATOM 843 CA ARG A 56 0.789 1.405 9.856 1.00 0.00 C ATOM 844 C ARG A 56 0.778 -0.102 10.272 1.00 0.00 C ATOM 845 O ARG A 56 -0.012 -0.480 11.142 1.00 0.00 O ATOM 846 CB ARG A 56 -0.195 1.588 8.658 1.00 0.00 C ATOM 847 CG ARG A 56 -0.276 2.973 7.970 1.00 0.00 C ATOM 848 CD ARG A 56 -0.762 4.152 8.836 1.00 0.00 C ATOM 849 NE ARG A 56 -2.197 4.033 9.196 1.00 0.00 N ATOM 850 CZ ARG A 56 -2.861 4.903 9.980 1.00 0.00 C ATOM 851 NH1 ARG A 56 -2.309 5.984 10.528 1.00 0.00 N ATOM 852 NH2 ARG A 56 -4.138 4.668 10.219 1.00 0.00 N ATOM 0 H ARG A 56 2.255 2.116 8.512 1.00 0.00 H new ATOM 0 HA ARG A 56 0.473 1.985 10.723 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.071 0.855 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.195 1.334 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.714 3.219 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.940 2.887 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.164 4.202 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.601 5.086 8.297 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.716 3.237 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.325 6.193 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.871 6.603 11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.590 3.848 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.672 5.306 10.809 1.00 0.00 H new ATOM 866 N GLY A 57 1.598 -0.949 9.615 1.00 0.00 N ATOM 867 CA GLY A 57 1.497 -2.420 9.712 1.00 0.00 C ATOM 868 C GLY A 57 0.464 -3.098 8.787 1.00 0.00 C ATOM 869 O GLY A 57 -0.216 -4.024 9.239 1.00 0.00 O ATOM 0 H GLY A 57 2.349 -0.632 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.478 -2.845 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.255 -2.679 10.743 1.00 0.00 H new ATOM 873 N LYS A 58 0.368 -2.676 7.511 1.00 0.00 N ATOM 874 CA LYS A 58 -0.518 -3.329 6.512 1.00 0.00 C ATOM 875 C LYS A 58 0.132 -3.209 5.085 1.00 0.00 C ATOM 876 O LYS A 58 0.238 -2.091 4.584 1.00 0.00 O ATOM 877 CB LYS A 58 -2.008 -2.892 6.603 1.00 0.00 C ATOM 878 CG LYS A 58 -2.389 -1.409 6.819 1.00 0.00 C ATOM 879 CD LYS A 58 -1.981 -0.474 5.666 1.00 0.00 C ATOM 880 CE LYS A 58 -2.667 0.905 5.652 1.00 0.00 C ATOM 881 NZ LYS A 58 -4.070 0.847 5.200 1.00 0.00 N ATOM 0 H LYS A 58 0.893 -1.883 7.141 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.587 -4.391 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.493 -3.216 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.459 -3.460 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.467 -1.341 6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.922 -1.057 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.902 -0.323 5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.195 -0.976 4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.631 1.332 6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.108 1.576 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.478 1.803 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.108 0.466 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.615 0.230 5.836 1.00 0.00 H new ATOM 895 N PRO A 59 0.599 -4.290 4.392 1.00 0.00 N ATOM 896 CA PRO A 59 1.390 -4.172 3.133 1.00 0.00 C ATOM 897 C PRO A 59 0.549 -3.949 1.853 1.00 0.00 C ATOM 898 O PRO A 59 -0.618 -4.341 1.751 1.00 0.00 O ATOM 899 CB PRO A 59 2.185 -5.496 3.099 1.00 0.00 C ATOM 900 CG PRO A 59 1.402 -6.488 3.955 1.00 0.00 C ATOM 901 CD PRO A 59 0.634 -5.640 4.963 1.00 0.00 C ATOM 0 HA PRO A 59 2.018 -3.281 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.289 -5.861 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.192 -5.355 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.723 -7.083 3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.071 -7.186 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.373 -6.028 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.127 -5.643 5.935 1.00 0.00 H new ATOM 909 N MET A 60 1.214 -3.326 0.868 1.00 0.00 N ATOM 910 CA MET A 60 0.662 -3.118 -0.493 1.00 0.00 C ATOM 911 C MET A 60 0.891 -4.356 -1.420 1.00 0.00 C ATOM 912 O MET A 60 1.541 -5.346 -1.064 1.00 0.00 O ATOM 913 CB MET A 60 1.225 -1.779 -1.059 1.00 0.00 C ATOM 914 CG MET A 60 2.756 -1.634 -1.125 1.00 0.00 C ATOM 915 SD MET A 60 3.533 -2.969 -2.040 1.00 0.00 S ATOM 916 CE MET A 60 3.113 -2.570 -3.733 1.00 0.00 C ATOM 0 H MET A 60 2.154 -2.948 0.987 1.00 0.00 H new ATOM 0 HA MET A 60 -0.423 -3.028 -0.446 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.829 -1.644 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.834 -0.964 -0.451 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.008 -0.682 -1.593 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.159 -1.608 -0.113 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.228 -3.457 -4.355 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.080 -2.225 -3.780 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.775 -1.784 -4.096 1.00 0.00 H new ATOM 926 N GLU A 61 0.316 -4.260 -2.628 1.00 0.00 N ATOM 927 CA GLU A 61 0.383 -5.314 -3.666 1.00 0.00 C ATOM 928 C GLU A 61 0.556 -4.654 -5.061 1.00 0.00 C ATOM 929 O GLU A 61 -0.268 -3.846 -5.502 1.00 0.00 O ATOM 930 CB GLU A 61 -0.900 -6.187 -3.624 1.00 0.00 C ATOM 931 CG GLU A 61 -0.915 -7.250 -2.504 1.00 0.00 C ATOM 932 CD GLU A 61 -1.630 -6.840 -1.209 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.852 -6.577 -1.247 1.00 0.00 O ATOM 934 OE2 GLU A 61 -0.972 -6.788 -0.146 1.00 0.00 O ATOM 0 H GLU A 61 -0.216 -3.441 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 61 1.239 -5.961 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.764 -5.535 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.015 -6.688 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.390 -8.152 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.115 -7.511 -2.262 1.00 0.00 H new ATOM 941 N LEU A 62 1.646 -5.048 -5.743 1.00 0.00 N ATOM 942 CA LEU A 62 2.009 -4.561 -7.095 1.00 0.00 C ATOM 943 C LEU A 62 1.926 -5.761 -8.073 1.00 0.00 C ATOM 944 O LEU A 62 2.492 -6.837 -7.850 1.00 0.00 O ATOM 945 CB LEU A 62 3.421 -3.910 -7.047 1.00 0.00 C ATOM 946 CG LEU A 62 4.196 -3.681 -8.375 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.712 -2.454 -9.146 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.702 -3.663 -8.155 1.00 0.00 C ATOM 0 H LEU A 62 2.312 -5.724 -5.369 1.00 0.00 H new ATOM 0 HA LEU A 62 1.323 -3.791 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.320 -2.943 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.047 -4.530 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 62 3.972 -4.538 -9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.292 -2.348 -10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.658 -2.573 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.841 -1.564 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.207 -3.501 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.959 -2.859 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.020 -4.617 -7.734 1.00 0.00 H new ATOM 960 N ILE A 63 1.263 -5.491 -9.201 1.00 0.00 N ATOM 961 CA ILE A 63 1.163 -6.428 -10.349 1.00 0.00 C ATOM 962 C ILE A 63 2.215 -5.918 -11.385 1.00 0.00 C ATOM 963 O ILE A 63 2.214 -4.750 -11.792 1.00 0.00 O ATOM 964 CB ILE A 63 -0.322 -6.515 -10.868 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.306 -7.260 -9.914 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.441 -7.202 -12.247 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.685 -6.514 -8.631 1.00 0.00 C ATOM 0 H ILE A 63 0.772 -4.610 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 63 1.394 -7.463 -10.097 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.606 -5.464 -10.927 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.219 -7.482 -10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.861 -8.216 -9.638 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.488 -7.231 -12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.134 -6.641 -12.984 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.054 -8.219 -12.182 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.372 -7.124 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.787 -6.316 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.166 -5.570 -8.888 1.00 0.00 H new ATOM 979 N ILE A 64 3.103 -6.829 -11.817 1.00 0.00 N ATOM 980 CA ILE A 64 4.179 -6.512 -12.805 1.00 0.00 C ATOM 981 C ILE A 64 3.554 -6.496 -14.236 1.00 0.00 C ATOM 982 O ILE A 64 3.291 -7.561 -14.795 1.00 0.00 O ATOM 983 CB ILE A 64 5.413 -7.479 -12.705 1.00 0.00 C ATOM 984 CG1 ILE A 64 6.100 -7.573 -11.311 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.492 -7.206 -13.789 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.903 -6.378 -10.832 1.00 0.00 C ATOM 0 H ILE A 64 3.107 -7.799 -11.503 1.00 0.00 H new ATOM 0 HA ILE A 64 4.582 -5.526 -12.574 1.00 0.00 H new ATOM 0 HB ILE A 64 4.948 -8.449 -12.883 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.326 -7.774 -10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.763 -8.438 -11.323 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.317 -7.907 -13.665 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.054 -7.333 -14.779 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.863 -6.186 -13.684 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.320 -6.591 -9.848 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.713 -6.179 -11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.254 -5.505 -10.770 1.00 0.00 H new ATOM 998 N GLY A 65 3.353 -5.304 -14.827 1.00 0.00 N ATOM 999 CA GLY A 65 3.007 -5.138 -16.266 1.00 0.00 C ATOM 1000 C GLY A 65 1.823 -5.956 -16.833 1.00 0.00 C ATOM 1001 O GLY A 65 2.009 -6.754 -17.756 1.00 0.00 O ATOM 0 H GLY A 65 3.424 -4.419 -14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.795 -4.083 -16.438 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.893 -5.384 -16.852 1.00 0.00 H new ATOM 1005 N LYS A 66 0.637 -5.788 -16.227 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.515 -6.716 -16.405 1.00 0.00 C ATOM 1007 C LYS A 66 -1.805 -5.927 -16.017 1.00 0.00 C ATOM 1008 O LYS A 66 -2.587 -5.601 -16.914 1.00 0.00 O ATOM 1009 CB LYS A 66 -0.215 -8.078 -15.695 1.00 0.00 C ATOM 1010 CG LYS A 66 -1.338 -9.112 -15.458 1.00 0.00 C ATOM 1011 CD LYS A 66 -1.816 -9.887 -16.701 1.00 0.00 C ATOM 1012 CE LYS A 66 -2.909 -9.150 -17.487 1.00 0.00 C ATOM 1013 NZ LYS A 66 -3.305 -9.884 -18.701 1.00 0.00 N ATOM 0 H LYS A 66 0.439 -5.009 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.688 -7.038 -17.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.562 -8.577 -16.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.215 -7.843 -14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.991 -9.832 -14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.195 -8.596 -15.025 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.965 -10.069 -17.357 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.194 -10.861 -16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.781 -9.007 -16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.551 -8.158 -17.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.045 -9.352 -19.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.479 -9.998 -19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.671 -10.821 -18.436 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.013 -5.574 -14.727 1.00 0.00 N ATOM 1028 CA LYS A 67 -2.939 -4.481 -14.327 1.00 0.00 C ATOM 1029 C LYS A 67 -2.232 -3.586 -13.264 1.00 0.00 C ATOM 1030 O LYS A 67 -2.534 -3.659 -12.066 1.00 0.00 O ATOM 1031 CB LYS A 67 -4.332 -4.973 -13.824 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.348 -5.463 -14.879 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.329 -6.985 -15.131 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.402 -7.487 -16.119 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.143 -7.089 -17.516 1.00 0.00 N ATOM 0 H LYS A 67 -1.551 -6.031 -13.940 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.162 -3.901 -15.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.165 -5.786 -13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.794 -4.157 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.350 -5.173 -14.562 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.151 -4.950 -15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.346 -7.265 -15.510 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.462 -7.499 -14.179 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.457 -8.574 -16.063 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.375 -7.102 -15.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.899 -7.457 -18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.118 -6.051 -17.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.229 -7.478 -17.824 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.320 -2.695 -13.714 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.754 -1.621 -12.867 1.00 0.00 C ATOM 1051 C PHE A 68 -0.254 -0.448 -13.748 1.00 0.00 C ATOM 1052 O PHE A 68 0.357 -0.634 -14.806 1.00 0.00 O ATOM 1053 CB PHE A 68 0.390 -2.160 -11.965 1.00 0.00 C ATOM 1054 CG PHE A 68 0.506 -1.458 -10.600 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.212 -1.965 -9.512 1.00 0.00 C ATOM 1056 CD2 PHE A 68 1.342 -0.348 -10.411 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.111 -1.366 -8.259 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.435 0.253 -9.155 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.712 -0.260 -8.082 1.00 0.00 C ATOM 0 H PHE A 68 -0.958 -2.700 -14.668 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.544 -1.252 -12.213 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.235 -3.226 -11.800 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.336 -2.054 -12.496 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.849 -2.827 -9.645 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.915 0.042 -11.239 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.672 -1.761 -7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.068 1.117 -9.015 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.791 0.203 -7.109 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.503 0.769 -13.249 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.191 2.031 -13.971 1.00 0.00 C ATOM 1071 C LYS A 69 1.261 2.577 -13.791 1.00 0.00 C ATOM 1072 O LYS A 69 1.754 3.216 -14.723 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.240 3.112 -13.584 1.00 0.00 C ATOM 1074 CG LYS A 69 -2.749 2.777 -13.734 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.219 2.207 -15.089 1.00 0.00 C ATOM 1076 CE LYS A 69 -3.140 3.206 -16.260 1.00 0.00 C ATOM 1077 NZ LYS A 69 -3.584 2.595 -17.526 1.00 0.00 N ATOM 0 H LYS A 69 -0.927 0.918 -12.333 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.248 1.786 -15.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.064 3.385 -12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.037 3.999 -14.185 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.014 2.060 -12.957 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.317 3.686 -13.536 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.615 1.333 -15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.249 1.864 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.758 4.076 -16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.115 3.562 -16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.518 3.296 -18.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.978 1.780 -17.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.570 2.278 -17.431 1.00 0.00 H new ATOM 1091 N LEU A 70 1.921 2.368 -12.631 1.00 0.00 N ATOM 1092 CA LEU A 70 3.215 2.990 -12.283 1.00 0.00 C ATOM 1093 C LEU A 70 4.399 2.032 -12.676 1.00 0.00 C ATOM 1094 O LEU A 70 4.515 0.959 -12.070 1.00 0.00 O ATOM 1095 CB LEU A 70 3.210 3.329 -10.763 1.00 0.00 C ATOM 1096 CG LEU A 70 4.042 4.554 -10.312 1.00 0.00 C ATOM 1097 CD1 LEU A 70 3.903 4.765 -8.803 1.00 0.00 C ATOM 1098 CD2 LEU A 70 5.522 4.468 -10.680 1.00 0.00 C ATOM 0 H LEU A 70 1.563 1.753 -11.900 1.00 0.00 H new ATOM 0 HA LEU A 70 3.359 3.915 -12.842 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.177 3.490 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.572 2.456 -10.220 1.00 0.00 H new ATOM 0 HG LEU A 70 3.633 5.405 -10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.494 5.630 -8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.856 4.936 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.261 3.880 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.037 5.363 -10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.963 3.589 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.624 4.391 -11.762 1.00 0.00 H new ATOM 1110 N PRO A 71 5.297 2.376 -13.641 1.00 0.00 N ATOM 1111 CA PRO A 71 6.436 1.510 -14.057 1.00 0.00 C ATOM 1112 C PRO A 71 7.730 1.524 -13.177 1.00 0.00 C ATOM 1113 O PRO A 71 8.476 0.542 -13.235 1.00 0.00 O ATOM 1114 CB PRO A 71 6.710 2.031 -15.483 1.00 0.00 C ATOM 1115 CG PRO A 71 6.345 3.519 -15.446 1.00 0.00 C ATOM 1116 CD PRO A 71 5.168 3.580 -14.476 1.00 0.00 C ATOM 0 HA PRO A 71 6.164 0.459 -13.963 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.755 1.889 -15.760 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.110 1.497 -16.219 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.181 4.128 -15.100 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.069 3.888 -16.434 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.203 4.485 -13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.218 3.590 -15.009 1.00 0.00 H new ATOM 1124 N VAL A 72 8.009 2.593 -12.391 1.00 0.00 N ATOM 1125 CA VAL A 72 9.177 2.627 -11.454 1.00 0.00 C ATOM 1126 C VAL A 72 9.051 1.635 -10.253 1.00 0.00 C ATOM 1127 O VAL A 72 10.071 1.061 -9.873 1.00 0.00 O ATOM 1128 CB VAL A 72 9.614 4.073 -11.034 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.881 4.700 -9.827 1.00 0.00 C ATOM 1130 CG2 VAL A 72 11.138 4.165 -10.775 1.00 0.00 C ATOM 0 H VAL A 72 7.447 3.444 -12.382 1.00 0.00 H new ATOM 0 HA VAL A 72 10.012 2.247 -12.043 1.00 0.00 H new ATOM 0 HB VAL A 72 9.318 4.658 -11.905 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.276 5.699 -9.640 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.815 4.766 -10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.035 4.078 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.397 5.184 -10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.413 3.480 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.678 3.896 -11.683 1.00 0.00 H new ATOM 1140 N TRP A 73 7.834 1.401 -9.700 1.00 0.00 N ATOM 1141 CA TRP A 73 7.566 0.294 -8.739 1.00 0.00 C ATOM 1142 C TRP A 73 7.943 -1.120 -9.263 1.00 0.00 C ATOM 1143 O TRP A 73 8.439 -1.922 -8.477 1.00 0.00 O ATOM 1144 CB TRP A 73 6.075 0.346 -8.273 1.00 0.00 C ATOM 1145 CG TRP A 73 5.715 1.428 -7.238 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.385 2.657 -7.047 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.730 1.399 -6.256 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.905 3.349 -5.934 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.877 2.566 -5.464 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.697 0.469 -5.967 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 4.025 2.791 -4.363 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.840 0.737 -4.894 1.00 0.00 C ATOM 1153 CH2 TRP A 73 3.017 1.869 -4.092 1.00 0.00 C ATOM 0 H TRP A 73 7.013 1.970 -9.905 1.00 0.00 H new ATOM 0 HA TRP A 73 8.227 0.460 -7.888 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.448 0.493 -9.152 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.814 -0.626 -7.855 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.176 3.019 -7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.241 4.235 -5.555 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.576 -0.424 -6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 4.152 3.664 -3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.028 0.058 -4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 73 2.362 2.031 -3.249 1.00 0.00 H new ATOM 1164 N GLU A 74 7.745 -1.390 -10.565 1.00 0.00 N ATOM 1165 CA GLU A 74 8.135 -2.673 -11.224 1.00 0.00 C ATOM 1166 C GLU A 74 9.672 -2.858 -11.518 1.00 0.00 C ATOM 1167 O GLU A 74 10.136 -3.999 -11.596 1.00 0.00 O ATOM 1168 CB GLU A 74 7.295 -2.846 -12.521 1.00 0.00 C ATOM 1169 CG GLU A 74 5.756 -2.655 -12.427 1.00 0.00 C ATOM 1170 CD GLU A 74 4.998 -2.583 -13.758 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.535 -2.990 -14.814 1.00 0.00 O ATOM 1172 OE2 GLU A 74 3.838 -2.116 -13.745 1.00 0.00 O ATOM 0 H GLU A 74 7.307 -0.727 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 74 7.918 -3.459 -10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.674 -2.140 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.484 -3.847 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.344 -3.478 -11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.558 -1.739 -11.871 1.00 0.00 H new ATOM 1179 N THR A 75 10.441 -1.761 -11.666 1.00 0.00 N ATOM 1180 CA THR A 75 11.922 -1.757 -11.880 1.00 0.00 C ATOM 1181 C THR A 75 12.725 -1.865 -10.545 1.00 0.00 C ATOM 1182 O THR A 75 13.631 -2.697 -10.448 1.00 0.00 O ATOM 1183 CB THR A 75 12.260 -0.472 -12.707 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.543 -0.466 -13.940 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.744 -0.303 -13.063 1.00 0.00 C ATOM 0 H THR A 75 10.048 -0.820 -11.641 1.00 0.00 H new ATOM 0 HA THR A 75 12.229 -2.643 -12.435 1.00 0.00 H new ATOM 0 HB THR A 75 11.973 0.348 -12.048 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.617 -0.189 -13.779 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.879 0.615 -13.635 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.334 -0.250 -12.148 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.074 -1.154 -13.659 1.00 0.00 H new ATOM 1193 N ILE A 76 12.403 -1.028 -9.539 1.00 0.00 N ATOM 1194 CA ILE A 76 13.037 -1.057 -8.182 1.00 0.00 C ATOM 1195 C ILE A 76 12.851 -2.394 -7.380 1.00 0.00 C ATOM 1196 O ILE A 76 13.769 -2.820 -6.674 1.00 0.00 O ATOM 1197 CB ILE A 76 12.647 0.232 -7.369 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.160 0.281 -6.892 1.00 0.00 C ATOM 1199 CG2 ILE A 76 13.089 1.525 -8.114 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.645 1.606 -6.303 1.00 0.00 C ATOM 0 H ILE A 76 11.692 -0.303 -9.634 1.00 0.00 H new ATOM 0 HA ILE A 76 14.114 -1.040 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 76 13.213 0.174 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 76 10.526 0.021 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.022 -0.497 -6.141 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.805 2.398 -7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.170 1.515 -8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.601 1.569 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.600 1.494 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.237 1.869 -5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.733 2.395 -7.050 1.00 0.00 H new ATOM 1212 N VAL A 77 11.685 -3.055 -7.526 1.00 0.00 N ATOM 1213 CA VAL A 77 11.417 -4.426 -6.991 1.00 0.00 C ATOM 1214 C VAL A 77 12.104 -5.601 -7.747 1.00 0.00 C ATOM 1215 O VAL A 77 12.281 -6.658 -7.139 1.00 0.00 O ATOM 1216 CB VAL A 77 9.882 -4.708 -6.905 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.143 -3.686 -6.022 1.00 0.00 C ATOM 1218 CG2 VAL A 77 9.178 -4.920 -8.266 1.00 0.00 C ATOM 0 H VAL A 77 10.888 -2.657 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 77 11.871 -4.403 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 77 9.818 -5.677 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.081 -3.928 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.547 -3.720 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.277 -2.685 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.117 -5.109 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.297 -4.027 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.623 -5.774 -8.777 1.00 0.00 H new ATOM 1228 N CYS A 78 12.427 -5.459 -9.054 1.00 0.00 N ATOM 1229 CA CYS A 78 13.122 -6.520 -9.830 1.00 0.00 C ATOM 1230 C CYS A 78 14.524 -6.967 -9.287 1.00 0.00 C ATOM 1231 O CYS A 78 14.925 -8.114 -9.498 1.00 0.00 O ATOM 1232 CB CYS A 78 13.180 -6.082 -11.309 1.00 0.00 C ATOM 1233 SG CYS A 78 13.601 -7.490 -12.387 1.00 0.00 S ATOM 0 H CYS A 78 12.218 -4.620 -9.596 1.00 0.00 H new ATOM 0 HA CYS A 78 12.530 -7.428 -9.715 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.218 -5.665 -11.607 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.921 -5.292 -11.430 1.00 0.00 H new ATOM 0 HG CYS A 78 14.273 -8.371 -11.707 1.00 0.00 H new ATOM 1239 N THR A 79 15.225 -6.080 -8.548 1.00 0.00 N ATOM 1240 CA THR A 79 16.427 -6.412 -7.729 1.00 0.00 C ATOM 1241 C THR A 79 16.183 -7.224 -6.401 1.00 0.00 C ATOM 1242 O THR A 79 17.154 -7.662 -5.779 1.00 0.00 O ATOM 1243 CB THR A 79 17.176 -5.080 -7.373 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.394 -4.279 -6.490 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.587 -4.184 -8.555 1.00 0.00 C ATOM 0 H THR A 79 14.972 -5.093 -8.498 1.00 0.00 H new ATOM 0 HA THR A 79 17.011 -7.084 -8.358 1.00 0.00 H new ATOM 0 HB THR A 79 18.098 -5.439 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.581 -3.983 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.095 -3.296 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.259 -4.735 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.698 -3.885 -9.111 1.00 0.00 H new ATOM 1253 N MET A 80 14.921 -7.376 -5.950 1.00 0.00 N ATOM 1254 CA MET A 80 14.560 -7.767 -4.562 1.00 0.00 C ATOM 1255 C MET A 80 13.869 -9.158 -4.540 1.00 0.00 C ATOM 1256 O MET A 80 13.006 -9.457 -5.368 1.00 0.00 O ATOM 1257 CB MET A 80 13.606 -6.708 -3.947 1.00 0.00 C ATOM 1258 CG MET A 80 14.241 -5.351 -3.583 1.00 0.00 C ATOM 1259 SD MET A 80 12.944 -4.142 -3.233 1.00 0.00 S ATOM 1260 CE MET A 80 12.391 -4.648 -1.593 1.00 0.00 C ATOM 0 H MET A 80 14.107 -7.229 -6.546 1.00 0.00 H new ATOM 0 HA MET A 80 15.476 -7.823 -3.975 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.794 -6.528 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.160 -7.130 -3.047 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.889 -5.464 -2.714 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.866 -5.000 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.301 -4.651 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.763 -5.650 -1.377 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.774 -3.950 -0.848 1.00 0.00 H new ATOM 1270 N ARG A 81 14.245 -9.987 -3.554 1.00 0.00 N ATOM 1271 CA ARG A 81 13.693 -11.360 -3.353 1.00 0.00 C ATOM 1272 C ARG A 81 12.797 -11.438 -2.076 1.00 0.00 C ATOM 1273 O ARG A 81 12.621 -10.445 -1.366 1.00 0.00 O ATOM 1274 CB ARG A 81 14.883 -12.365 -3.359 1.00 0.00 C ATOM 1275 CG ARG A 81 15.963 -12.166 -2.269 1.00 0.00 C ATOM 1276 CD ARG A 81 17.111 -13.174 -2.384 1.00 0.00 C ATOM 1277 NE ARG A 81 18.175 -12.826 -1.416 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.360 -13.459 -1.325 1.00 0.00 C ATOM 1279 NH1 ARG A 81 19.700 -14.512 -2.066 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.242 -13.012 -0.450 1.00 0.00 N ATOM 0 H ARG A 81 14.948 -9.732 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 81 13.021 -11.629 -4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.479 -13.372 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.369 -12.312 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.364 -11.155 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.502 -12.257 -1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.744 -14.182 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.512 -13.170 -3.398 1.00 0.00 H new ATOM 0 HE ARG A 81 17.999 -12.054 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.045 -14.885 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.616 -14.945 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 81 20.017 -12.207 0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.148 -13.472 -0.359 1.00 0.00 H new ATOM 1294 N GLU A 82 12.238 -12.631 -1.771 1.00 0.00 N ATOM 1295 CA GLU A 82 11.349 -12.858 -0.592 1.00 0.00 C ATOM 1296 C GLU A 82 12.110 -12.626 0.744 1.00 0.00 C ATOM 1297 O GLU A 82 13.006 -13.398 1.100 1.00 0.00 O ATOM 1298 CB GLU A 82 10.738 -14.293 -0.578 1.00 0.00 C ATOM 1299 CG GLU A 82 9.907 -14.751 -1.799 1.00 0.00 C ATOM 1300 CD GLU A 82 10.738 -15.423 -2.900 1.00 0.00 C ATOM 1301 OE1 GLU A 82 11.049 -16.628 -2.773 1.00 0.00 O ATOM 1302 OE2 GLU A 82 11.090 -14.751 -3.892 1.00 0.00 O ATOM 0 H GLU A 82 12.386 -13.470 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 82 10.539 -12.134 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.557 -15.001 -0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.104 -14.375 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.138 -15.446 -1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.393 -13.887 -2.221 1.00 0.00 H new ATOM 1309 N GLY A 83 11.766 -11.532 1.442 1.00 0.00 N ATOM 1310 CA GLY A 83 12.507 -11.105 2.655 1.00 0.00 C ATOM 1311 C GLY A 83 13.641 -10.055 2.505 1.00 0.00 C ATOM 1312 O GLY A 83 14.353 -9.842 3.489 1.00 0.00 O ATOM 0 H GLY A 83 10.984 -10.925 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.780 -10.708 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.940 -11.996 3.109 1.00 0.00 H new ATOM 1316 N GLU A 84 13.825 -9.409 1.331 1.00 0.00 N ATOM 1317 CA GLU A 84 14.902 -8.411 1.097 1.00 0.00 C ATOM 1318 C GLU A 84 14.353 -6.984 1.330 1.00 0.00 C ATOM 1319 O GLU A 84 13.308 -6.609 0.796 1.00 0.00 O ATOM 1320 CB GLU A 84 15.487 -8.594 -0.333 1.00 0.00 C ATOM 1321 CG GLU A 84 16.707 -7.691 -0.628 1.00 0.00 C ATOM 1322 CD GLU A 84 17.523 -8.067 -1.867 1.00 0.00 C ATOM 1323 OE1 GLU A 84 18.060 -9.196 -1.922 1.00 0.00 O ATOM 1324 OE2 GLU A 84 17.667 -7.218 -2.774 1.00 0.00 O ATOM 0 H GLU A 84 13.232 -9.563 0.516 1.00 0.00 H new ATOM 0 HA GLU A 84 15.716 -8.566 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.777 -9.636 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.706 -8.385 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.358 -6.665 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.367 -7.708 0.239 1.00 0.00 H new ATOM 1331 N ILE A 85 15.100 -6.197 2.116 1.00 0.00 N ATOM 1332 CA ILE A 85 14.693 -4.830 2.529 1.00 0.00 C ATOM 1333 C ILE A 85 15.733 -3.877 1.888 1.00 0.00 C ATOM 1334 O ILE A 85 16.918 -3.938 2.222 1.00 0.00 O ATOM 1335 CB ILE A 85 14.574 -4.681 4.087 1.00 0.00 C ATOM 1336 CG1 ILE A 85 13.666 -5.747 4.786 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.028 -3.281 4.451 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.402 -7.012 5.256 1.00 0.00 C ATOM 0 H ILE A 85 16.006 -6.482 2.488 1.00 0.00 H new ATOM 0 HA ILE A 85 13.689 -4.587 2.182 1.00 0.00 H new ATOM 0 HB ILE A 85 15.589 -4.834 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.183 -5.284 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.875 -6.039 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.950 -3.191 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.705 -2.516 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.043 -3.147 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.692 -7.692 5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.862 -7.505 4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.174 -6.738 5.975 1.00 0.00 H new ATOM 1350 N ALA A 86 15.266 -3.007 0.977 1.00 0.00 N ATOM 1351 CA ALA A 86 16.131 -2.051 0.248 1.00 0.00 C ATOM 1352 C ALA A 86 15.458 -0.659 0.158 1.00 0.00 C ATOM 1353 O ALA A 86 14.304 -0.538 -0.267 1.00 0.00 O ATOM 1354 CB ALA A 86 16.459 -2.612 -1.152 1.00 0.00 C ATOM 0 H ALA A 86 14.280 -2.943 0.722 1.00 0.00 H new ATOM 0 HA ALA A 86 17.065 -1.923 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.096 -1.907 -1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.979 -3.565 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.535 -2.761 -1.710 1.00 0.00 H new ATOM 1360 N GLN A 87 16.213 0.385 0.556 1.00 0.00 N ATOM 1361 CA GLN A 87 15.753 1.798 0.514 1.00 0.00 C ATOM 1362 C GLN A 87 16.648 2.630 -0.416 1.00 0.00 C ATOM 1363 O GLN A 87 17.880 2.555 -0.322 1.00 0.00 O ATOM 1364 CB GLN A 87 15.572 2.406 1.919 1.00 0.00 C ATOM 1365 CG GLN A 87 16.818 2.785 2.746 1.00 0.00 C ATOM 1366 CD GLN A 87 17.623 4.047 2.370 1.00 0.00 C ATOM 1367 OE1 GLN A 87 18.853 4.033 2.364 1.00 0.00 O ATOM 1368 NE2 GLN A 87 16.970 5.149 2.029 1.00 0.00 N ATOM 0 H GLN A 87 17.161 0.277 0.917 1.00 0.00 H new ATOM 0 HA GLN A 87 14.752 1.816 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.965 3.305 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.990 1.698 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.501 2.897 3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.503 1.938 2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.950 5.160 2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.487 5.986 1.761 1.00 0.00 H new ATOM 1377 N PHE A 88 16.029 3.405 -1.327 1.00 0.00 N ATOM 1378 CA PHE A 88 16.773 4.063 -2.423 1.00 0.00 C ATOM 1379 C PHE A 88 15.932 5.084 -3.235 1.00 0.00 C ATOM 1380 O PHE A 88 14.714 4.950 -3.394 1.00 0.00 O ATOM 1381 CB PHE A 88 17.471 3.030 -3.344 1.00 0.00 C ATOM 1382 CG PHE A 88 16.683 1.889 -4.023 1.00 0.00 C ATOM 1383 CD1 PHE A 88 16.218 2.065 -5.330 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.742 0.596 -3.487 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.952 0.958 -6.129 1.00 0.00 C ATOM 1386 CE2 PHE A 88 16.426 -0.508 -4.278 1.00 0.00 C ATOM 1387 CZ PHE A 88 16.061 -0.325 -5.606 1.00 0.00 C ATOM 0 H PHE A 88 15.026 3.591 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 88 17.547 4.653 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 88 17.959 3.594 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.260 2.563 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.065 3.061 -5.719 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.033 0.454 -2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.660 1.096 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 88 16.465 -1.503 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.862 -1.181 -6.233 1.00 0.00 H new ATOM 1397 N LEU A 89 16.645 6.091 -3.782 1.00 0.00 N ATOM 1398 CA LEU A 89 16.044 7.183 -4.593 1.00 0.00 C ATOM 1399 C LEU A 89 15.844 6.810 -6.089 1.00 0.00 C ATOM 1400 O LEU A 89 16.555 5.970 -6.653 1.00 0.00 O ATOM 1401 CB LEU A 89 16.796 8.538 -4.389 1.00 0.00 C ATOM 1402 CG LEU A 89 18.330 8.644 -4.650 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.705 8.660 -6.146 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.900 9.907 -3.969 1.00 0.00 C ATOM 0 H LEU A 89 17.656 6.174 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 89 15.033 7.326 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 89 16.310 9.274 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.624 8.849 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 89 18.770 7.743 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.788 8.735 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 89 18.359 7.740 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.234 9.516 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.972 9.970 -4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.407 10.792 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.724 9.852 -2.895 1.00 0.00 H new ATOM 1416 N CYS A 90 14.873 7.495 -6.720 1.00 0.00 N ATOM 1417 CA CYS A 90 14.691 7.481 -8.191 1.00 0.00 C ATOM 1418 C CYS A 90 14.517 8.939 -8.688 1.00 0.00 C ATOM 1419 O CYS A 90 13.869 9.766 -8.031 1.00 0.00 O ATOM 1420 CB CYS A 90 13.449 6.649 -8.567 1.00 0.00 C ATOM 1421 SG CYS A 90 13.518 4.971 -7.858 1.00 0.00 S ATOM 0 H CYS A 90 14.191 8.074 -6.230 1.00 0.00 H new ATOM 0 HA CYS A 90 15.565 7.030 -8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.551 7.156 -8.214 1.00 0.00 H new ATOM 0 HB3 CYS A 90 13.371 6.582 -9.652 1.00 0.00 H new ATOM 0 HG CYS A 90 12.321 4.464 -7.825 1.00 0.00 H new ATOM 1427 N ASP A 91 15.041 9.236 -9.894 1.00 0.00 N ATOM 1428 CA ASP A 91 14.849 10.559 -10.547 1.00 0.00 C ATOM 1429 C ASP A 91 13.358 10.805 -10.937 1.00 0.00 C ATOM 1430 O ASP A 91 12.627 9.879 -11.300 1.00 0.00 O ATOM 1431 CB ASP A 91 15.815 10.651 -11.761 1.00 0.00 C ATOM 1432 CG ASP A 91 15.964 12.055 -12.369 1.00 0.00 C ATOM 1433 OD1 ASP A 91 15.156 12.424 -13.249 1.00 0.00 O ATOM 1434 OD2 ASP A 91 16.886 12.796 -11.961 1.00 0.00 O ATOM 0 H ASP A 91 15.601 8.582 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 91 15.092 11.356 -9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.799 10.300 -11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.464 9.971 -12.537 1.00 0.00 H new ATOM 1439 N ILE A 92 12.941 12.079 -10.852 1.00 0.00 N ATOM 1440 CA ILE A 92 11.576 12.550 -11.223 1.00 0.00 C ATOM 1441 C ILE A 92 11.019 12.184 -12.627 1.00 0.00 C ATOM 1442 O ILE A 92 9.803 12.042 -12.726 1.00 0.00 O ATOM 1443 CB ILE A 92 11.359 14.082 -10.941 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.616 15.003 -11.024 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.611 14.247 -9.610 1.00 0.00 C ATOM 1446 CD1 ILE A 92 12.337 16.512 -11.053 1.00 0.00 C ATOM 0 H ILE A 92 13.545 12.831 -10.519 1.00 0.00 H new ATOM 0 HA ILE A 92 10.976 11.945 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 92 10.759 14.446 -11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.258 14.788 -10.170 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.178 14.739 -11.920 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.457 15.307 -9.408 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.645 13.745 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.199 13.806 -8.805 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.280 17.055 -11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 92 11.726 16.752 -11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.807 16.802 -10.146 1.00 0.00 H new ATOM 1458 N LYS A 93 11.834 11.990 -13.677 1.00 0.00 N ATOM 1459 CA LYS A 93 11.364 11.339 -14.946 1.00 0.00 C ATOM 1460 C LYS A 93 10.657 9.934 -14.823 1.00 0.00 C ATOM 1461 O LYS A 93 9.819 9.592 -15.661 1.00 0.00 O ATOM 1462 CB LYS A 93 12.516 11.330 -15.990 1.00 0.00 C ATOM 1463 CG LYS A 93 13.636 10.280 -15.776 1.00 0.00 C ATOM 1464 CD LYS A 93 14.832 10.378 -16.745 1.00 0.00 C ATOM 1465 CE LYS A 93 15.825 11.511 -16.421 1.00 0.00 C ATOM 1466 NZ LYS A 93 16.906 11.582 -17.419 1.00 0.00 N ATOM 0 H LYS A 93 12.816 12.266 -13.689 1.00 0.00 H new ATOM 0 HA LYS A 93 10.541 11.967 -15.287 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.081 11.169 -16.976 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.974 12.319 -16.001 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.009 10.375 -14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.199 9.285 -15.865 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.368 9.429 -16.738 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.453 10.522 -17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.295 12.463 -16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.252 11.350 -15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.557 12.355 -17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.426 10.682 -17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.499 11.760 -18.359 1.00 0.00 H new ATOM 1480 N HIS A 94 11.007 9.152 -13.783 1.00 0.00 N ATOM 1481 CA HIS A 94 10.399 7.834 -13.459 1.00 0.00 C ATOM 1482 C HIS A 94 9.270 7.974 -12.386 1.00 0.00 C ATOM 1483 O HIS A 94 8.215 7.356 -12.558 1.00 0.00 O ATOM 1484 CB HIS A 94 11.473 6.806 -12.999 1.00 0.00 C ATOM 1485 CG HIS A 94 12.715 6.636 -13.877 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.803 5.821 -14.990 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.914 7.347 -13.706 1.00 0.00 C ATOM 1488 CE1 HIS A 94 14.068 6.137 -15.406 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.816 7.058 -14.716 1.00 0.00 N ATOM 0 H HIS A 94 11.738 9.421 -13.125 1.00 0.00 H new ATOM 0 HA HIS A 94 9.947 7.456 -14.376 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.804 7.091 -12.000 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.990 5.833 -12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.107 8.030 -12.892 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.480 5.659 -16.282 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.753 7.420 -14.894 1.00 0.00 H new ATOM 1497 N VAL A 95 9.473 8.770 -11.302 1.00 0.00 N ATOM 1498 CA VAL A 95 8.420 9.049 -10.271 1.00 0.00 C ATOM 1499 C VAL A 95 7.485 10.278 -10.586 1.00 0.00 C ATOM 1500 O VAL A 95 6.845 10.823 -9.680 1.00 0.00 O ATOM 1501 CB VAL A 95 9.057 9.111 -8.836 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.788 7.807 -8.445 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.989 10.314 -8.554 1.00 0.00 C ATOM 0 H VAL A 95 10.361 9.236 -11.113 1.00 0.00 H new ATOM 0 HA VAL A 95 7.733 8.203 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 95 8.177 9.250 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.207 7.911 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.083 6.976 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.591 7.613 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.368 10.249 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.825 10.298 -9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.431 11.243 -8.676 1.00 0.00 H new ATOM 1513 N VAL A 96 7.354 10.665 -11.871 1.00 0.00 N ATOM 1514 CA VAL A 96 6.439 11.740 -12.356 1.00 0.00 C ATOM 1515 C VAL A 96 4.925 11.411 -12.186 1.00 0.00 C ATOM 1516 O VAL A 96 4.140 12.298 -11.839 1.00 0.00 O ATOM 1517 CB VAL A 96 6.869 12.187 -13.814 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.887 11.956 -14.989 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.319 13.665 -13.839 1.00 0.00 C ATOM 0 H VAL A 96 7.890 10.234 -12.624 1.00 0.00 H new ATOM 0 HA VAL A 96 6.555 12.607 -11.706 1.00 0.00 H new ATOM 0 HB VAL A 96 7.684 11.490 -14.007 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.335 12.318 -15.914 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.674 10.891 -15.081 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.960 12.496 -14.800 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.607 13.940 -14.853 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.497 14.301 -13.510 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.170 13.798 -13.171 1.00 0.00 H new ATOM 1529 N LEU A 97 4.554 10.148 -12.461 1.00 0.00 N ATOM 1530 CA LEU A 97 3.189 9.618 -12.229 1.00 0.00 C ATOM 1531 C LEU A 97 2.995 8.765 -10.936 1.00 0.00 C ATOM 1532 O LEU A 97 1.973 8.088 -10.812 1.00 0.00 O ATOM 1533 CB LEU A 97 2.727 8.888 -13.519 1.00 0.00 C ATOM 1534 CG LEU A 97 3.521 7.599 -13.904 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.560 6.454 -14.253 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.526 7.820 -15.052 1.00 0.00 C ATOM 0 H LEU A 97 5.194 9.458 -12.853 1.00 0.00 H new ATOM 0 HA LEU A 97 2.543 10.471 -12.023 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.676 8.622 -13.404 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.789 9.590 -14.351 1.00 0.00 H new ATOM 0 HG LEU A 97 4.106 7.329 -13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.133 5.566 -14.518 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.928 6.234 -13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.935 6.748 -15.096 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.043 6.885 -15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.994 8.155 -15.942 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.253 8.577 -14.758 1.00 0.00 H new ATOM 1548 N TYR A 98 3.880 8.868 -9.925 1.00 0.00 N ATOM 1549 CA TYR A 98 3.526 8.533 -8.521 1.00 0.00 C ATOM 1550 C TYR A 98 2.336 9.379 -7.944 1.00 0.00 C ATOM 1551 O TYR A 98 1.419 8.723 -7.453 1.00 0.00 O ATOM 1552 CB TYR A 98 4.799 8.578 -7.628 1.00 0.00 C ATOM 1553 CG TYR A 98 4.529 8.285 -6.129 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.240 6.991 -5.677 1.00 0.00 C ATOM 1555 CD2 TYR A 98 4.332 9.368 -5.266 1.00 0.00 C ATOM 1556 CE1 TYR A 98 3.756 6.791 -4.385 1.00 0.00 C ATOM 1557 CE2 TYR A 98 3.826 9.167 -3.987 1.00 0.00 C ATOM 1558 CZ TYR A 98 3.547 7.878 -3.541 1.00 0.00 C ATOM 1559 OH TYR A 98 3.040 7.684 -2.282 1.00 0.00 O ATOM 0 H TYR A 98 4.844 9.179 -10.048 1.00 0.00 H new ATOM 0 HA TYR A 98 3.142 7.513 -8.517 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.521 7.853 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.259 9.562 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.393 6.146 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.575 10.367 -5.596 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.543 5.791 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.649 10.012 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 98 2.958 8.547 -1.826 1.00 0.00 H new ATOM 1569 N PRO A 99 2.269 10.742 -7.933 1.00 0.00 N ATOM 1570 CA PRO A 99 1.063 11.480 -7.460 1.00 0.00 C ATOM 1571 C PRO A 99 -0.212 11.459 -8.373 1.00 0.00 C ATOM 1572 O PRO A 99 -1.212 12.088 -8.025 1.00 0.00 O ATOM 1573 CB PRO A 99 1.654 12.884 -7.279 1.00 0.00 C ATOM 1574 CG PRO A 99 2.704 13.017 -8.388 1.00 0.00 C ATOM 1575 CD PRO A 99 3.291 11.623 -8.525 1.00 0.00 C ATOM 0 HA PRO A 99 0.630 11.018 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.885 13.651 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.104 12.999 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 99 2.254 13.352 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.470 13.746 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.479 11.370 -9.569 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.243 11.538 -8.000 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.192 10.724 -9.500 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.414 10.319 -10.248 1.00 0.00 C ATOM 1585 C LEU A 100 -1.942 8.924 -9.767 1.00 0.00 C ATOM 1586 O LEU A 100 -3.152 8.754 -9.587 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.161 10.334 -11.789 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.393 11.533 -12.425 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.357 11.423 -13.961 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -0.884 12.923 -11.986 1.00 0.00 C ATOM 0 H LEU A 100 0.672 10.389 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.192 11.052 -10.034 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.615 9.425 -12.040 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.132 10.269 -12.281 1.00 0.00 H new ATOM 0 HG LEU A 100 0.621 11.451 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.185 12.274 -14.374 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.145 10.499 -14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.375 11.419 -14.349 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.290 13.692 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.932 13.042 -12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.778 13.022 -10.906 1.00 0.00 H new ATOM 1602 N VAL A 101 -1.035 7.943 -9.571 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.357 6.544 -9.162 1.00 0.00 C ATOM 1604 C VAL A 101 -1.562 6.368 -7.626 1.00 0.00 C ATOM 1605 O VAL A 101 -2.386 5.539 -7.244 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.286 5.552 -9.730 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.601 4.066 -9.427 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.105 5.682 -11.257 1.00 0.00 C ATOM 0 H VAL A 101 -0.034 8.097 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.325 6.303 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 101 0.631 5.840 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.181 3.435 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.646 3.916 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.561 3.800 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.649 4.971 -11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.052 5.472 -11.755 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.216 6.695 -11.500 1.00 0.00 H new ATOM 1618 N ALA A 102 -0.863 7.121 -6.758 1.00 0.00 N ATOM 1619 CA ALA A 102 -1.238 7.284 -5.323 1.00 0.00 C ATOM 1620 C ALA A 102 -2.697 7.739 -5.019 1.00 0.00 C ATOM 1621 O ALA A 102 -3.244 7.352 -3.983 1.00 0.00 O ATOM 1622 CB ALA A 102 -0.267 8.280 -4.669 1.00 0.00 C ATOM 0 H ALA A 102 -0.023 7.636 -7.021 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.173 6.277 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.530 8.408 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.751 7.898 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.333 9.241 -5.180 1.00 0.00 H new ATOM 1628 N LYS A 103 -3.324 8.511 -5.933 1.00 0.00 N ATOM 1629 CA LYS A 103 -4.784 8.793 -5.891 1.00 0.00 C ATOM 1630 C LYS A 103 -5.727 7.629 -6.387 1.00 0.00 C ATOM 1631 O LYS A 103 -6.937 7.848 -6.504 1.00 0.00 O ATOM 1632 CB LYS A 103 -5.037 10.114 -6.683 1.00 0.00 C ATOM 1633 CG LYS A 103 -4.763 11.455 -5.961 1.00 0.00 C ATOM 1634 CD LYS A 103 -3.312 11.746 -5.515 1.00 0.00 C ATOM 1635 CE LYS A 103 -2.947 13.245 -5.565 1.00 0.00 C ATOM 1636 NZ LYS A 103 -1.564 13.496 -5.124 1.00 0.00 N ATOM 0 H LYS A 103 -2.842 8.954 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.058 8.893 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.423 10.087 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.078 10.115 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.079 12.262 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.400 11.497 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.171 11.379 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.625 11.190 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -3.075 13.615 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -3.636 13.806 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.225 14.389 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.537 13.561 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.952 12.715 -5.438 1.00 0.00 H new ATOM 1650 N SER A 104 -5.217 6.403 -6.627 1.00 0.00 N ATOM 1651 CA SER A 104 -6.034 5.190 -6.901 1.00 0.00 C ATOM 1652 C SER A 104 -5.533 3.931 -6.129 1.00 0.00 C ATOM 1653 O SER A 104 -6.370 3.199 -5.600 1.00 0.00 O ATOM 1654 CB SER A 104 -6.124 4.912 -8.419 1.00 0.00 C ATOM 1655 OG SER A 104 -6.836 5.948 -9.086 1.00 0.00 O ATOM 0 H SER A 104 -4.214 6.220 -6.637 1.00 0.00 H new ATOM 0 HA SER A 104 -7.036 5.402 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.121 4.828 -8.837 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.621 3.957 -8.589 1.00 0.00 H new ATOM 0 HG SER A 104 -6.878 5.751 -10.045 1.00 0.00 H new ATOM 1661 N LEU A 105 -4.211 3.662 -5.999 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.676 2.630 -5.054 1.00 0.00 C ATOM 1663 C LEU A 105 -4.084 2.782 -3.544 1.00 0.00 C ATOM 1664 O LEU A 105 -4.128 1.783 -2.823 1.00 0.00 O ATOM 1665 CB LEU A 105 -2.148 2.435 -5.306 1.00 0.00 C ATOM 1666 CG LEU A 105 -1.123 3.271 -4.477 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -0.708 2.575 -3.162 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.136 3.611 -5.294 1.00 0.00 C ATOM 0 H LEU A 105 -3.488 4.142 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.187 1.697 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.921 1.382 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.961 2.640 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.642 4.195 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.006 3.202 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.589 2.417 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.247 1.614 -3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.822 4.193 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.625 2.689 -5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.146 4.192 -6.172 1.00 0.00 H new ATOM 2135 N ASP A 137 1.428 16.593 1.098 1.00 0.00 N ATOM 2136 CA ASP A 137 2.839 16.219 0.796 1.00 0.00 C ATOM 2137 C ASP A 137 2.998 15.467 -0.564 1.00 0.00 C ATOM 2138 O ASP A 137 3.887 15.832 -1.339 1.00 0.00 O ATOM 2139 CB ASP A 137 3.412 15.371 1.955 1.00 0.00 C ATOM 2140 CG ASP A 137 3.590 16.081 3.304 1.00 0.00 C ATOM 2141 OD1 ASP A 137 4.634 16.739 3.508 1.00 0.00 O ATOM 2142 OD2 ASP A 137 2.688 15.979 4.165 1.00 0.00 O ATOM 0 HA ASP A 137 3.404 17.146 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 137 2.757 14.513 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.381 14.981 1.645 1.00 0.00 H new ATOM 2147 N LEU A 138 2.152 14.455 -0.879 1.00 0.00 N ATOM 2148 CA LEU A 138 1.971 13.967 -2.277 1.00 0.00 C ATOM 2149 C LEU A 138 1.244 14.987 -3.221 1.00 0.00 C ATOM 2150 O LEU A 138 1.503 14.947 -4.428 1.00 0.00 O ATOM 2151 CB LEU A 138 1.334 12.540 -2.358 1.00 0.00 C ATOM 2152 CG LEU A 138 0.114 12.209 -1.447 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.861 11.229 -2.125 1.00 0.00 C ATOM 2154 CD2 LEU A 138 0.515 11.648 -0.064 1.00 0.00 C ATOM 0 H LEU A 138 1.585 13.960 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 138 2.987 13.878 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.029 12.373 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 138 2.118 11.816 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.383 13.166 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.697 11.025 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -1.235 11.669 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.342 10.298 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.383 11.440 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 138 1.084 10.728 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.127 12.381 0.462 1.00 0.00 H new ATOM 2166 N ASP A 139 0.389 15.909 -2.706 1.00 0.00 N ATOM 2167 CA ASP A 139 -0.136 17.055 -3.503 1.00 0.00 C ATOM 2168 C ASP A 139 0.848 18.268 -3.672 1.00 0.00 C ATOM 2169 O ASP A 139 0.691 19.023 -4.635 1.00 0.00 O ATOM 2170 CB ASP A 139 -1.515 17.474 -2.934 1.00 0.00 C ATOM 2171 CG ASP A 139 -2.398 18.270 -3.904 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -3.101 17.648 -4.731 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.389 19.520 -3.846 1.00 0.00 O ATOM 0 H ASP A 139 0.048 15.883 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 139 -0.250 16.701 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -2.053 16.577 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -1.355 18.072 -2.037 1.00 0.00 H new ATOM 2178 N ALA A 140 1.879 18.441 -2.813 1.00 0.00 N ATOM 2179 CA ALA A 140 3.072 19.278 -3.133 1.00 0.00 C ATOM 2180 C ALA A 140 3.886 18.883 -4.405 1.00 0.00 C ATOM 2181 O ALA A 140 4.483 19.762 -5.024 1.00 0.00 O ATOM 2182 CB ALA A 140 4.022 19.297 -1.923 1.00 0.00 C ATOM 0 H ALA A 140 1.914 18.013 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 140 2.656 20.260 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.894 19.908 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 140 3.504 19.716 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.342 18.280 -1.695 1.00 0.00 H new ATOM 2188 N LEU A 141 3.894 17.596 -4.803 1.00 0.00 N ATOM 2189 CA LEU A 141 4.443 17.128 -6.109 1.00 0.00 C ATOM 2190 C LEU A 141 3.651 17.583 -7.372 1.00 0.00 C ATOM 2191 O LEU A 141 4.254 17.885 -8.403 1.00 0.00 O ATOM 2192 CB LEU A 141 4.545 15.574 -6.147 1.00 0.00 C ATOM 2193 CG LEU A 141 5.082 14.829 -4.902 1.00 0.00 C ATOM 2194 CD1 LEU A 141 4.899 13.311 -5.062 1.00 0.00 C ATOM 2195 CD2 LEU A 141 6.537 15.191 -4.554 1.00 0.00 C ATOM 0 H LEU A 141 3.519 16.840 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 141 5.423 17.602 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.550 15.184 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.181 15.306 -6.991 1.00 0.00 H new ATOM 0 HG LEU A 141 4.486 15.165 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.282 12.803 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 141 3.840 13.083 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.445 12.969 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 141 6.850 14.633 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.186 14.937 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.608 16.260 -4.352 1.00 0.00 H new ATOM 2207 N GLN A 142 2.312 17.627 -7.277 1.00 0.00 N ATOM 2208 CA GLN A 142 1.412 18.212 -8.315 1.00 0.00 C ATOM 2209 C GLN A 142 1.694 19.692 -8.731 1.00 0.00 C ATOM 2210 O GLN A 142 1.544 20.033 -9.907 1.00 0.00 O ATOM 2211 CB GLN A 142 -0.058 18.059 -7.829 1.00 0.00 C ATOM 2212 CG GLN A 142 -0.559 16.623 -7.545 1.00 0.00 C ATOM 2213 CD GLN A 142 -0.779 15.760 -8.798 1.00 0.00 C ATOM 2214 OE1 GLN A 142 0.276 15.159 -9.324 1.00 0.00 O flip ATOM 2215 NE2 GLN A 142 -1.895 15.625 -9.301 1.00 0.00 N flip ATOM 0 H GLN A 142 1.807 17.256 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 142 1.611 17.650 -9.227 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -0.176 18.645 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -0.711 18.503 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 142 0.161 16.123 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -1.497 16.683 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -2.701 16.093 -8.887 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -2.013 15.045 -10.132 1.00 0.00 H new ATOM 2224 N GLN A 143 2.117 20.535 -7.774 1.00 0.00 N ATOM 2225 CA GLN A 143 2.691 21.879 -8.042 1.00 0.00 C ATOM 2226 C GLN A 143 4.232 21.881 -8.291 1.00 0.00 C ATOM 2227 O GLN A 143 4.689 22.722 -9.073 1.00 0.00 O ATOM 2228 CB GLN A 143 2.272 22.879 -6.925 1.00 0.00 C ATOM 2229 CG GLN A 143 2.574 22.478 -5.458 1.00 0.00 C ATOM 2230 CD GLN A 143 2.184 23.544 -4.427 1.00 0.00 C ATOM 2231 OE1 GLN A 143 1.018 23.682 -4.057 1.00 0.00 O ATOM 2232 NE2 GLN A 143 3.148 24.307 -3.935 1.00 0.00 N ATOM 0 H GLN A 143 2.073 20.307 -6.781 1.00 0.00 H new ATOM 0 HA GLN A 143 2.266 22.213 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 143 2.766 23.831 -7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.199 23.052 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.044 21.554 -5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 143 3.639 22.267 -5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 143 4.110 24.181 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 143 2.929 25.021 -3.240 1.00 0.00 H new ATOM 2241 N ASN A 144 5.031 21.005 -7.638 1.00 0.00 N ATOM 2242 CA ASN A 144 6.516 21.042 -7.730 1.00 0.00 C ATOM 2243 C ASN A 144 7.078 19.607 -7.467 1.00 0.00 C ATOM 2244 O ASN A 144 7.295 19.270 -6.300 1.00 0.00 O ATOM 2245 CB ASN A 144 7.181 22.168 -6.880 1.00 0.00 C ATOM 2246 CG ASN A 144 6.670 22.453 -5.451 1.00 0.00 C ATOM 2247 OD1 ASN A 144 5.956 23.427 -5.219 1.00 0.00 O ATOM 2248 ND2 ASN A 144 7.000 21.624 -4.479 1.00 0.00 N ATOM 0 H ASN A 144 4.674 20.261 -7.039 1.00 0.00 H new ATOM 0 HA ASN A 144 6.793 21.331 -8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 144 8.243 21.935 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 144 7.097 23.096 -7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 144 6.663 21.790 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 144 7.592 20.817 -4.676 1.00 0.00 H new ATOM 2255 N PRO A 145 7.331 18.727 -8.483 1.00 0.00 N ATOM 2256 CA PRO A 145 7.796 17.329 -8.254 1.00 0.00 C ATOM 2257 C PRO A 145 9.294 17.226 -7.843 1.00 0.00 C ATOM 2258 O PRO A 145 10.128 18.036 -8.262 1.00 0.00 O ATOM 2259 CB PRO A 145 7.442 16.645 -9.588 1.00 0.00 C ATOM 2260 CG PRO A 145 7.459 17.753 -10.642 1.00 0.00 C ATOM 2261 CD PRO A 145 6.994 19.003 -9.892 1.00 0.00 C ATOM 0 HA PRO A 145 7.321 16.846 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 145 8.163 15.864 -9.830 1.00 0.00 H new ATOM 0 HB3 PRO A 145 6.462 16.170 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 145 8.457 17.889 -11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 145 6.795 17.519 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 145 7.501 19.897 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 145 5.924 19.169 -10.020 1.00 0.00 H new ATOM 2269 N GLN A 146 9.606 16.238 -6.977 1.00 0.00 N ATOM 2270 CA GLN A 146 10.924 16.129 -6.288 1.00 0.00 C ATOM 2271 C GLN A 146 11.387 14.632 -6.253 1.00 0.00 C ATOM 2272 O GLN A 146 10.522 13.764 -6.093 1.00 0.00 O ATOM 2273 CB GLN A 146 10.798 16.673 -4.835 1.00 0.00 C ATOM 2274 CG GLN A 146 10.588 18.206 -4.709 1.00 0.00 C ATOM 2275 CD GLN A 146 9.738 18.626 -3.502 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.240 19.092 -2.481 1.00 0.00 O ATOM 2277 NE2 GLN A 146 8.427 18.474 -3.606 1.00 0.00 N ATOM 0 H GLN A 146 8.957 15.491 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 146 11.663 16.717 -6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 146 9.963 16.169 -4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 146 11.699 16.401 -4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 146 11.562 18.691 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 146 10.113 18.573 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 146 8.025 18.086 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 146 7.819 18.745 -2.833 1.00 0.00 H new ATOM 2286 N PRO A 147 12.697 14.255 -6.386 1.00 0.00 N ATOM 2287 CA PRO A 147 13.135 12.829 -6.408 1.00 0.00 C ATOM 2288 C PRO A 147 13.129 12.194 -4.978 1.00 0.00 C ATOM 2289 O PRO A 147 13.787 12.696 -4.061 1.00 0.00 O ATOM 2290 CB PRO A 147 14.542 12.933 -7.027 1.00 0.00 C ATOM 2291 CG PRO A 147 15.055 14.327 -6.658 1.00 0.00 C ATOM 2292 CD PRO A 147 13.800 15.202 -6.648 1.00 0.00 C ATOM 0 HA PRO A 147 12.476 12.168 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.200 12.157 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.504 12.803 -8.109 1.00 0.00 H new ATOM 0 HG2 PRO A 147 15.546 14.325 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 147 15.785 14.687 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.857 15.970 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 147 13.666 15.716 -7.600 1.00 0.00 H new ATOM 2300 N LEU A 148 12.334 11.124 -4.804 1.00 0.00 N ATOM 2301 CA LEU A 148 11.917 10.634 -3.452 1.00 0.00 C ATOM 2302 C LEU A 148 12.613 9.288 -3.086 1.00 0.00 C ATOM 2303 O LEU A 148 12.979 8.496 -3.957 1.00 0.00 O ATOM 2304 CB LEU A 148 10.367 10.456 -3.353 1.00 0.00 C ATOM 2305 CG LEU A 148 9.450 11.563 -3.940 1.00 0.00 C ATOM 2306 CD1 LEU A 148 8.017 11.069 -4.197 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.485 12.852 -3.099 1.00 0.00 C ATOM 0 H LEU A 148 11.960 10.572 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 148 12.230 11.398 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.110 9.518 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 148 10.114 10.342 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 148 9.861 11.817 -4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.420 11.883 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 148 8.039 10.242 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.575 10.731 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.829 13.597 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 148 9.147 12.635 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.504 13.238 -3.067 1.00 0.00 H new ATOM 2319 N ILE A 149 12.710 9.021 -1.771 1.00 0.00 N ATOM 2320 CA ILE A 149 13.217 7.738 -1.204 1.00 0.00 C ATOM 2321 C ILE A 149 12.012 6.765 -1.079 1.00 0.00 C ATOM 2322 O ILE A 149 11.122 6.973 -0.255 1.00 0.00 O ATOM 2323 CB ILE A 149 13.954 7.969 0.167 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.254 8.820 0.060 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.258 6.663 0.945 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.464 8.152 -0.612 1.00 0.00 C ATOM 0 H ILE A 149 12.437 9.694 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 149 13.964 7.298 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 149 13.224 8.544 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 149 15.020 9.731 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.547 9.121 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.766 6.905 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.325 6.145 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.897 6.020 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.303 8.847 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.742 7.257 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.206 7.877 -1.635 1.00 0.00 H new ATOM 2338 N PHE A 150 12.057 5.678 -1.854 1.00 0.00 N ATOM 2339 CA PHE A 150 11.051 4.587 -1.814 1.00 0.00 C ATOM 2340 C PHE A 150 11.681 3.435 -0.981 1.00 0.00 C ATOM 2341 O PHE A 150 12.439 2.611 -1.505 1.00 0.00 O ATOM 2342 CB PHE A 150 10.710 4.168 -3.274 1.00 0.00 C ATOM 2343 CG PHE A 150 9.809 5.143 -4.058 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.334 6.333 -4.576 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.447 4.878 -4.209 1.00 0.00 C ATOM 2346 CE1 PHE A 150 9.494 7.265 -5.176 1.00 0.00 C ATOM 2347 CE2 PHE A 150 7.617 5.812 -4.827 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.136 7.001 -5.313 1.00 0.00 C ATOM 0 H PHE A 150 12.797 5.519 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 150 10.112 4.886 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.643 4.043 -3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.223 3.193 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.394 6.528 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.035 3.948 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 150 9.899 8.199 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.561 5.607 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 150 7.489 7.719 -5.796 1.00 0.00 H new ATOM 2358 N HIS A 151 11.367 3.405 0.332 1.00 0.00 N ATOM 2359 CA HIS A 151 11.836 2.347 1.257 1.00 0.00 C ATOM 2360 C HIS A 151 10.838 1.174 1.172 1.00 0.00 C ATOM 2361 O HIS A 151 9.769 1.198 1.786 1.00 0.00 O ATOM 2362 CB HIS A 151 12.021 2.907 2.694 1.00 0.00 C ATOM 2363 CG HIS A 151 12.519 1.959 3.806 1.00 0.00 C ATOM 2364 ND1 HIS A 151 12.148 0.610 4.029 1.00 0.00 N flip ATOM 2365 CD2 HIS A 151 13.368 2.371 4.817 1.00 0.00 C flip ATOM 2366 CE1 HIS A 151 12.759 0.097 5.163 1.00 0.00 C flip ATOM 2367 NE2 HIS A 151 13.453 1.217 5.549 1.00 0.00 N flip ATOM 0 H HIS A 151 10.783 4.111 0.781 1.00 0.00 H new ATOM 0 HA HIS A 151 12.822 1.980 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.720 3.741 2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.063 3.316 3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 151 13.833 3.332 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 151 12.705 -0.886 5.608 1.00 0.00 H new ATOM 0 HE2 HIS A 151 14.035 1.189 6.386 1.00 0.00 H new ATOM 2375 N MET A 152 11.265 0.127 0.459 1.00 0.00 N ATOM 2376 CA MET A 152 10.442 -1.078 0.231 1.00 0.00 C ATOM 2377 C MET A 152 10.992 -2.281 1.029 1.00 0.00 C ATOM 2378 O MET A 152 12.205 -2.472 1.158 1.00 0.00 O ATOM 2379 CB MET A 152 10.332 -1.351 -1.285 1.00 0.00 C ATOM 2380 CG MET A 152 9.519 -0.243 -1.972 1.00 0.00 C ATOM 2381 SD MET A 152 9.134 -0.597 -3.683 1.00 0.00 S ATOM 2382 CE MET A 152 7.929 0.732 -3.825 1.00 0.00 C ATOM 0 H MET A 152 12.186 0.085 0.023 1.00 0.00 H new ATOM 0 HA MET A 152 9.432 -0.910 0.604 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.328 -1.405 -1.724 1.00 0.00 H new ATOM 0 HB3 MET A 152 9.856 -2.317 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 152 8.590 -0.091 -1.423 1.00 0.00 H new ATOM 0 HG3 MET A 152 10.077 0.692 -1.919 1.00 0.00 H new ATOM 0 HE1 MET A 152 7.567 0.786 -4.852 1.00 0.00 H new ATOM 0 HE2 MET A 152 7.092 0.537 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 152 8.398 1.678 -3.555 1.00 0.00 H new ATOM 2392 N GLU A 153 10.059 -3.077 1.572 1.00 0.00 N ATOM 2393 CA GLU A 153 10.374 -4.202 2.473 1.00 0.00 C ATOM 2394 C GLU A 153 9.648 -5.424 1.860 1.00 0.00 C ATOM 2395 O GLU A 153 8.438 -5.573 2.048 1.00 0.00 O ATOM 2396 CB GLU A 153 9.990 -3.776 3.931 1.00 0.00 C ATOM 2397 CG GLU A 153 9.393 -4.863 4.844 1.00 0.00 C ATOM 2398 CD GLU A 153 9.485 -4.542 6.336 1.00 0.00 C ATOM 2399 OE1 GLU A 153 8.548 -3.914 6.877 1.00 0.00 O ATOM 2400 OE2 GLU A 153 10.496 -4.913 6.973 1.00 0.00 O ATOM 0 H GLU A 153 9.060 -2.960 1.400 1.00 0.00 H new ATOM 0 HA GLU A 153 11.425 -4.479 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 153 10.883 -3.381 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.274 -2.957 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.346 -5.011 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 153 9.907 -5.805 4.653 1.00 0.00 H new ATOM 2407 N MET A 154 10.377 -6.308 1.149 1.00 0.00 N ATOM 2408 CA MET A 154 9.774 -7.520 0.546 1.00 0.00 C ATOM 2409 C MET A 154 9.492 -8.627 1.588 1.00 0.00 C ATOM 2410 O MET A 154 10.284 -8.889 2.496 1.00 0.00 O ATOM 2411 CB MET A 154 10.621 -8.019 -0.644 1.00 0.00 C ATOM 2412 CG MET A 154 9.864 -8.923 -1.641 1.00 0.00 C ATOM 2413 SD MET A 154 10.558 -8.718 -3.293 1.00 0.00 S ATOM 2414 CE MET A 154 9.849 -7.124 -3.766 1.00 0.00 C ATOM 0 H MET A 154 11.378 -6.209 0.978 1.00 0.00 H new ATOM 0 HA MET A 154 8.796 -7.240 0.154 1.00 0.00 H new ATOM 0 HB2 MET A 154 11.011 -7.155 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.479 -8.568 -0.257 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.939 -9.965 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.804 -8.667 -1.647 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.360 -7.217 -4.736 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.118 -6.815 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.641 -6.378 -3.829 1.00 0.00 H new ATOM 2424 N LEU A 155 8.324 -9.247 1.404 1.00 0.00 N ATOM 2425 CA LEU A 155 7.841 -10.395 2.214 1.00 0.00 C ATOM 2426 C LEU A 155 7.559 -11.627 1.302 1.00 0.00 C ATOM 2427 O LEU A 155 8.106 -12.703 1.562 1.00 0.00 O ATOM 2428 CB LEU A 155 6.670 -10.035 3.188 1.00 0.00 C ATOM 2429 CG LEU A 155 5.699 -8.869 2.811 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.237 -9.172 3.157 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.134 -7.534 3.447 1.00 0.00 C ATOM 0 H LEU A 155 7.666 -8.968 0.676 1.00 0.00 H new ATOM 0 HA LEU A 155 8.647 -10.678 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 155 6.068 -10.933 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.110 -9.796 4.156 1.00 0.00 H new ATOM 0 HG LEU A 155 5.761 -8.774 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.613 -8.325 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 155 3.912 -10.061 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.145 -9.345 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.434 -6.749 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.143 -7.634 4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.133 -7.273 3.098 1.00 0.00 H new ATOM 2443 N LYS A 156 6.715 -11.481 0.260 1.00 0.00 N ATOM 2444 CA LYS A 156 6.390 -12.565 -0.708 1.00 0.00 C ATOM 2445 C LYS A 156 6.431 -12.005 -2.151 1.00 0.00 C ATOM 2446 O LYS A 156 6.266 -10.809 -2.409 1.00 0.00 O ATOM 2447 CB LYS A 156 4.978 -13.155 -0.426 1.00 0.00 C ATOM 2448 CG LYS A 156 4.891 -14.071 0.811 1.00 0.00 C ATOM 2449 CD LYS A 156 3.457 -14.475 1.214 1.00 0.00 C ATOM 2450 CE LYS A 156 2.610 -13.326 1.802 1.00 0.00 C ATOM 2451 NZ LYS A 156 1.258 -13.782 2.167 1.00 0.00 N ATOM 0 H LYS A 156 6.233 -10.604 0.060 1.00 0.00 H new ATOM 0 HA LYS A 156 7.130 -13.358 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.275 -12.332 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 156 4.655 -13.719 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 156 5.468 -14.975 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 156 5.362 -13.566 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 156 2.946 -14.875 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 156 3.512 -15.280 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 156 3.108 -12.920 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 156 2.538 -12.517 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 0.717 -12.985 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 0.775 -14.147 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 1.327 -14.537 2.879 1.00 0.00 H new ATOM 2465 N VAL A 157 6.635 -12.925 -3.104 1.00 0.00 N ATOM 2466 CA VAL A 157 6.602 -12.618 -4.554 1.00 0.00 C ATOM 2467 C VAL A 157 6.406 -13.966 -5.319 1.00 0.00 C ATOM 2468 O VAL A 157 7.166 -14.927 -5.143 1.00 0.00 O ATOM 2469 CB VAL A 157 7.764 -11.683 -5.044 1.00 0.00 C ATOM 2470 CG1 VAL A 157 9.173 -12.029 -4.526 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.752 -11.497 -6.569 1.00 0.00 C ATOM 0 H VAL A 157 6.828 -13.905 -2.899 1.00 0.00 H new ATOM 0 HA VAL A 157 5.749 -11.982 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 157 7.536 -10.727 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.894 -11.317 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 157 9.183 -11.978 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.441 -13.036 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.573 -10.843 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.869 -12.466 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.806 -11.050 -6.874 1.00 0.00 H new ATOM 2481 N GLU A 158 5.369 -13.989 -6.179 1.00 0.00 N ATOM 2482 CA GLU A 158 4.965 -15.182 -6.977 1.00 0.00 C ATOM 2483 C GLU A 158 5.034 -14.874 -8.497 1.00 0.00 C ATOM 2484 O GLU A 158 4.907 -13.730 -8.933 1.00 0.00 O ATOM 2485 CB GLU A 158 3.524 -15.632 -6.586 1.00 0.00 C ATOM 2486 CG GLU A 158 3.358 -16.399 -5.256 1.00 0.00 C ATOM 2487 CD GLU A 158 4.149 -17.706 -5.110 1.00 0.00 C ATOM 2488 OE1 GLU A 158 5.349 -17.652 -4.763 1.00 0.00 O ATOM 2489 OE2 GLU A 158 3.567 -18.792 -5.322 1.00 0.00 O ATOM 0 H GLU A 158 4.777 -13.176 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 158 5.660 -15.992 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.893 -14.744 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 158 3.137 -16.260 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 158 3.646 -15.734 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 158 2.300 -16.625 -5.124 1.00 0.00 H new ATOM 2496 N SER A 159 5.226 -15.930 -9.303 1.00 0.00 N ATOM 2497 CA SER A 159 5.450 -15.813 -10.773 1.00 0.00 C ATOM 2498 C SER A 159 4.167 -16.102 -11.631 1.00 0.00 C ATOM 2499 O SER A 159 3.231 -16.714 -11.104 1.00 0.00 O ATOM 2500 CB SER A 159 6.593 -16.798 -11.133 1.00 0.00 C ATOM 2501 OG SER A 159 7.835 -16.367 -10.587 1.00 0.00 O ATOM 0 H SER A 159 5.232 -16.893 -8.965 1.00 0.00 H new ATOM 0 HA SER A 159 5.715 -14.783 -11.011 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.352 -17.792 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.678 -16.880 -12.217 1.00 0.00 H new ATOM 0 HG SER A 159 8.535 -16.442 -11.268 1.00 0.00 H new ATOM 2507 N PRO A 160 4.078 -15.729 -12.952 1.00 0.00 N ATOM 2508 CA PRO A 160 2.898 -16.023 -13.811 1.00 0.00 C ATOM 2509 C PRO A 160 2.714 -17.538 -14.107 1.00 0.00 C ATOM 2510 O PRO A 160 3.501 -18.144 -14.841 1.00 0.00 O ATOM 2511 CB PRO A 160 3.124 -15.156 -15.067 1.00 0.00 C ATOM 2512 CG PRO A 160 4.615 -14.825 -15.093 1.00 0.00 C ATOM 2513 CD PRO A 160 5.055 -14.854 -13.629 1.00 0.00 C ATOM 0 HA PRO A 160 1.956 -15.776 -13.320 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.828 -15.692 -15.969 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.524 -14.247 -15.026 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.170 -15.552 -15.686 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.794 -13.847 -15.539 1.00 0.00 H new ATOM 0 HD2 PRO A 160 6.068 -15.243 -13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 160 5.054 -13.853 -13.197 1.00 0.00 H new ATOM 2521 N GLY A 161 1.692 -18.130 -13.468 1.00 0.00 N ATOM 2522 CA GLY A 161 1.581 -19.598 -13.336 1.00 0.00 C ATOM 2523 C GLY A 161 0.995 -20.008 -11.973 1.00 0.00 C ATOM 2524 O GLY A 161 -0.042 -20.677 -11.919 1.00 0.00 O ATOM 0 H GLY A 161 0.927 -17.615 -13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 161 0.950 -19.988 -14.135 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.566 -20.049 -13.459 1.00 0.00 H new ATOM 2528 N THR A 162 1.685 -19.617 -10.887 1.00 0.00 N ATOM 2529 CA THR A 162 1.267 -19.903 -9.488 1.00 0.00 C ATOM 2530 C THR A 162 0.303 -18.858 -8.844 1.00 0.00 C ATOM 2531 O THR A 162 -0.510 -19.257 -8.004 1.00 0.00 O ATOM 2532 CB THR A 162 2.524 -20.219 -8.616 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.131 -20.557 -7.288 1.00 0.00 O ATOM 2534 CG2 THR A 162 3.615 -19.136 -8.545 1.00 0.00 C ATOM 0 H THR A 162 2.556 -19.089 -10.948 1.00 0.00 H new ATOM 0 HA THR A 162 0.637 -20.791 -9.529 1.00 0.00 H new ATOM 0 HB THR A 162 2.988 -21.055 -9.140 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.590 -19.970 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 162 4.430 -19.481 -7.909 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.996 -18.937 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.193 -18.221 -8.129 1.00 0.00 H new ATOM 2542 N TYR A 163 0.392 -17.556 -9.188 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.335 -16.478 -8.469 1.00 0.00 C ATOM 2544 C TYR A 163 -1.882 -16.505 -8.682 1.00 0.00 C ATOM 2545 O TYR A 163 -2.351 -16.698 -9.809 1.00 0.00 O ATOM 2546 CB TYR A 163 0.295 -15.089 -8.796 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.178 -14.346 -10.068 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.175 -14.805 -11.339 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.015 -13.230 -9.953 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.284 -14.144 -12.478 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.451 -12.554 -11.089 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.082 -13.010 -12.353 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.495 -12.336 -13.473 1.00 0.00 O ATOM 0 H TYR A 163 0.963 -17.220 -9.964 1.00 0.00 H new ATOM 0 HA TYR A 163 -0.210 -16.668 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.115 -14.434 -7.943 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.374 -15.224 -8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.806 -15.676 -11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.325 -12.891 -8.976 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -0.020 -14.512 -13.458 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.074 -11.677 -10.991 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.045 -11.569 -13.209 1.00 0.00 H new