USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 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 51 LYS NZ :NH3+ -163:sc= -0.0164 (180deg=-0.304) USER MOD Set 1.2: A 55 SER OG : rot 85:sc= 0.801 USER MOD Set 2.1: A 37 GLN : amide:sc= -9.65! C(o=-12!,f=-10!) USER MOD Set 2.2: A 38 GLN : amide:sc= -2.35! C(o=-12!,f=-13!) USER MOD Single : A 7 SER OG : rot -100:sc= -0.249 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0718! USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -114:sc= -0.388 (180deg=-0.437) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0069) USER MOD Single : A 20 THR OG1 : rot -105:sc= -1.76! USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= -0.0912 (180deg=-0.668) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -44:sc= 0.3 USER MOD Single : A 31 GLN : amide:sc= -0.007 K(o=-0.007,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 34 GLN : amide:sc= -0.0286 K(o=-0.029,f=-1.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -3:sc= 0.186 USER MOD Single : A 49 SER OG : rot 81:sc= 0.784 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 80:sc= 1.02 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0379 (180deg=-0.509) USER MOD Single : A 60 LYS NZ :NH3+ -163:sc= -0.0159 (180deg=-0.299) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 100:sc= -0.231 USER MOD Single : A 75 SER OG : rot -149:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.104 -16.593 9.324 1.00 1.00 N ATOM 67 CA ALA A 6 -0.264 -15.474 8.958 1.00 1.00 C ATOM 68 C ALA A 6 -0.163 -15.378 7.449 1.00 1.00 C ATOM 69 O ALA A 6 -0.158 -16.386 6.744 1.00 1.00 O ATOM 70 CB ALA A 6 1.135 -15.668 9.543 1.00 1.00 C ATOM 0 HA ALA A 6 -0.703 -14.557 9.352 1.00 1.00 H new ATOM 0 HB1 ALA A 6 1.766 -14.823 9.266 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.070 -15.731 10.629 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.569 -16.588 9.152 1.00 1.00 H new ATOM 76 N SER A 7 -0.102 -14.153 6.969 1.00 1.00 N ATOM 77 CA SER A 7 -0.020 -13.899 5.540 1.00 1.00 C ATOM 78 C SER A 7 1.356 -14.279 5.013 1.00 1.00 C ATOM 79 O SER A 7 2.230 -14.699 5.769 1.00 1.00 O ATOM 80 CB SER A 7 -0.288 -12.417 5.256 1.00 1.00 C ATOM 81 OG SER A 7 -0.185 -12.177 3.857 1.00 1.00 O ATOM 0 H SER A 7 -0.108 -13.313 7.547 1.00 1.00 H new ATOM 0 HA SER A 7 -0.772 -14.505 5.035 1.00 1.00 H new ATOM 0 HB2 SER A 7 -1.281 -12.141 5.611 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.427 -11.797 5.796 1.00 1.00 H new ATOM 0 HG SER A 7 0.691 -11.787 3.656 1.00 1.00 H new ATOM 87 N LEU A 8 1.531 -14.126 3.711 1.00 1.00 N ATOM 88 CA LEU A 8 2.800 -14.449 3.062 1.00 1.00 C ATOM 89 C LEU A 8 3.944 -13.640 3.673 1.00 1.00 C ATOM 90 O LEU A 8 5.094 -13.776 3.264 1.00 1.00 O ATOM 91 CB LEU A 8 2.714 -14.161 1.554 1.00 1.00 C ATOM 92 CG LEU A 8 1.961 -15.292 0.847 1.00 1.00 C ATOM 93 CD1 LEU A 8 0.545 -15.401 1.419 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.887 -14.991 -0.654 1.00 1.00 C ATOM 0 H LEU A 8 0.811 -13.779 3.077 1.00 1.00 H new ATOM 0 HA LEU A 8 2.999 -15.509 3.217 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.204 -13.212 1.385 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.716 -14.063 1.136 1.00 1.00 H new ATOM 0 HG LEU A 8 2.486 -16.234 1.004 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.010 -16.206 0.915 1.00 1.00 H new ATOM 0 HD12 LEU A 8 0.599 -15.614 2.487 1.00 1.00 H new ATOM 0 HD13 LEU A 8 0.016 -14.461 1.263 1.00 1.00 H new ATOM 0 HD21 LEU A 8 1.352 -15.794 -1.160 1.00 1.00 H new ATOM 0 HD22 LEU A 8 1.361 -14.049 -0.811 1.00 1.00 H new ATOM 0 HD23 LEU A 8 2.896 -14.915 -1.060 1.00 1.00 H new ATOM 106 N LEU A 9 3.628 -12.808 4.659 1.00 1.00 N ATOM 107 CA LEU A 9 4.638 -11.996 5.328 1.00 1.00 C ATOM 108 C LEU A 9 5.365 -12.812 6.397 1.00 1.00 C ATOM 109 O LEU A 9 6.345 -12.352 6.988 1.00 1.00 O ATOM 110 CB LEU A 9 3.960 -10.783 5.973 1.00 1.00 C ATOM 111 CG LEU A 9 3.179 -10.007 4.904 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.482 -8.810 5.555 1.00 1.00 C ATOM 113 CD2 LEU A 9 4.131 -9.520 3.793 1.00 1.00 C ATOM 0 H LEU A 9 2.680 -12.678 5.013 1.00 1.00 H new ATOM 0 HA LEU A 9 5.371 -11.664 4.593 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.287 -11.108 6.766 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.707 -10.137 6.434 1.00 1.00 H new ATOM 0 HG LEU A 9 2.433 -10.665 4.458 1.00 1.00 H new ATOM 0 HD11 LEU A 9 1.926 -8.257 4.798 1.00 1.00 H new ATOM 0 HD12 LEU A 9 1.795 -9.163 6.324 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.228 -8.157 6.007 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.563 -8.971 3.042 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.889 -8.866 4.224 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.615 -10.378 3.327 1.00 1.00 H new ATOM 125 N SER A 10 4.868 -14.016 6.650 1.00 1.00 N ATOM 126 CA SER A 10 5.468 -14.876 7.663 1.00 1.00 C ATOM 127 C SER A 10 6.887 -15.270 7.300 1.00 1.00 C ATOM 128 O SER A 10 7.839 -14.887 7.981 1.00 1.00 O ATOM 129 CB SER A 10 4.625 -16.133 7.872 1.00 1.00 C ATOM 130 OG SER A 10 4.711 -16.955 6.714 1.00 1.00 O ATOM 0 H SER A 10 4.060 -14.416 6.174 1.00 1.00 H new ATOM 0 HA SER A 10 5.500 -14.303 8.590 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.977 -16.680 8.747 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.587 -15.861 8.063 1.00 1.00 H new ATOM 0 HG SER A 10 4.173 -17.763 6.846 1.00 1.00 H new ATOM 136 N PHE A 11 7.026 -16.059 6.244 1.00 1.00 N ATOM 137 CA PHE A 11 8.342 -16.520 5.825 1.00 1.00 C ATOM 138 C PHE A 11 9.355 -15.382 5.922 1.00 1.00 C ATOM 139 O PHE A 11 10.438 -15.549 6.488 1.00 1.00 O ATOM 140 CB PHE A 11 8.273 -17.015 4.382 1.00 1.00 C ATOM 141 CG PHE A 11 7.434 -18.270 4.320 1.00 1.00 C ATOM 142 CD1 PHE A 11 7.989 -19.499 4.692 1.00 1.00 C ATOM 143 CD2 PHE A 11 6.102 -18.204 3.889 1.00 1.00 C ATOM 144 CE1 PHE A 11 7.214 -20.663 4.634 1.00 1.00 C ATOM 145 CE2 PHE A 11 5.328 -19.369 3.831 1.00 1.00 C ATOM 146 CZ PHE A 11 5.883 -20.599 4.203 1.00 1.00 C ATOM 0 H PHE A 11 6.253 -16.390 5.667 1.00 1.00 H new ATOM 0 HA PHE A 11 8.657 -17.333 6.479 1.00 1.00 H new ATOM 0 HB2 PHE A 11 7.842 -16.245 3.742 1.00 1.00 H new ATOM 0 HB3 PHE A 11 9.276 -17.217 4.007 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.015 -19.550 5.024 1.00 1.00 H new ATOM 0 HD2 PHE A 11 5.673 -17.255 3.602 1.00 1.00 H new ATOM 0 HE1 PHE A 11 7.643 -21.611 4.922 1.00 1.00 H new ATOM 0 HE2 PHE A 11 4.302 -19.319 3.499 1.00 1.00 H new ATOM 0 HZ PHE A 11 5.286 -21.498 4.158 1.00 1.00 H new ATOM 156 N MET A 12 9.004 -14.236 5.358 1.00 1.00 N ATOM 157 CA MET A 12 9.903 -13.087 5.376 1.00 1.00 C ATOM 158 C MET A 12 10.132 -12.606 6.802 1.00 1.00 C ATOM 159 O MET A 12 11.260 -12.607 7.291 1.00 1.00 O ATOM 160 CB MET A 12 9.323 -11.947 4.537 1.00 1.00 C ATOM 161 CG MET A 12 9.371 -12.326 3.055 1.00 1.00 C ATOM 162 SD MET A 12 8.620 -11.005 2.074 1.00 1.00 S ATOM 163 CE MET A 12 8.568 -11.891 0.498 1.00 1.00 C ATOM 0 H MET A 12 8.114 -14.075 4.887 1.00 1.00 H new ATOM 0 HA MET A 12 10.858 -13.396 4.951 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.295 -11.746 4.839 1.00 1.00 H new ATOM 0 HB3 MET A 12 9.890 -11.032 4.707 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.403 -12.485 2.742 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.840 -13.263 2.890 1.00 1.00 H new ATOM 0 HE1 MET A 12 8.131 -11.248 -0.266 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.580 -12.169 0.203 1.00 1.00 H new ATOM 0 HE3 MET A 12 7.961 -12.790 0.606 1.00 1.00 H new ATOM 173 N GLN A 13 9.052 -12.189 7.459 1.00 1.00 N ATOM 174 CA GLN A 13 9.136 -11.699 8.837 1.00 1.00 C ATOM 175 C GLN A 13 10.213 -12.449 9.620 1.00 1.00 C ATOM 176 O GLN A 13 11.135 -11.840 10.165 1.00 1.00 O ATOM 177 CB GLN A 13 7.786 -11.874 9.532 1.00 1.00 C ATOM 178 CG GLN A 13 7.881 -11.355 10.967 1.00 1.00 C ATOM 179 CD GLN A 13 6.500 -11.335 11.606 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.491 -11.413 10.906 1.00 1.00 O ATOM 181 NE2 GLN A 13 6.394 -11.234 12.902 1.00 1.00 N ATOM 0 H GLN A 13 8.112 -12.180 7.064 1.00 1.00 H new ATOM 0 HA GLN A 13 9.401 -10.642 8.807 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.012 -11.332 8.988 1.00 1.00 H new ATOM 0 HB3 GLN A 13 7.499 -12.925 9.532 1.00 1.00 H new ATOM 0 HG2 GLN A 13 8.550 -11.989 11.548 1.00 1.00 H new ATOM 0 HG3 GLN A 13 8.308 -10.352 10.972 1.00 1.00 H new ATOM 0 HE21 GLN A 13 7.233 -11.170 13.479 1.00 1.00 H new ATOM 0 HE22 GLN A 13 5.472 -11.219 13.339 1.00 1.00 H new ATOM 190 N GLY A 14 10.092 -13.772 9.669 1.00 1.00 N ATOM 191 CA GLY A 14 11.063 -14.589 10.385 1.00 1.00 C ATOM 192 C GLY A 14 12.420 -14.589 9.682 1.00 1.00 C ATOM 193 O GLY A 14 13.463 -14.552 10.326 1.00 1.00 O ATOM 0 H GLY A 14 9.338 -14.297 9.225 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.178 -14.212 11.401 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.693 -15.611 10.464 1.00 1.00 H new ATOM 197 N TYR A 15 12.405 -14.647 8.358 1.00 1.00 N ATOM 198 CA TYR A 15 13.654 -14.668 7.597 1.00 1.00 C ATOM 199 C TYR A 15 14.637 -13.651 8.140 1.00 1.00 C ATOM 200 O TYR A 15 15.714 -14.006 8.621 1.00 1.00 O ATOM 201 CB TYR A 15 13.370 -14.396 6.119 1.00 1.00 C ATOM 202 CG TYR A 15 14.631 -14.556 5.312 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.074 -15.835 4.964 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.352 -13.427 4.902 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.240 -15.989 4.207 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.517 -13.581 4.145 1.00 1.00 C ATOM 207 CZ TYR A 15 16.962 -14.862 3.798 1.00 1.00 C ATOM 208 OH TYR A 15 18.112 -15.011 3.053 1.00 1.00 O ATOM 0 H TYR A 15 11.557 -14.680 7.792 1.00 1.00 H new ATOM 0 HA TYR A 15 14.101 -15.657 7.697 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.606 -15.083 5.755 1.00 1.00 H new ATOM 0 HB3 TYR A 15 12.976 -13.387 5.996 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.516 -16.704 5.280 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.008 -12.439 5.170 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.583 -16.977 3.938 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.074 -12.712 3.828 1.00 1.00 H new ATOM 0 HH TYR A 15 18.488 -14.129 2.852 1.00 1.00 H new ATOM 218 N MET A 16 14.279 -12.393 8.049 1.00 1.00 N ATOM 219 CA MET A 16 15.161 -11.352 8.526 1.00 1.00 C ATOM 220 C MET A 16 15.522 -11.624 9.978 1.00 1.00 C ATOM 221 O MET A 16 16.624 -11.298 10.426 1.00 1.00 O ATOM 222 CB MET A 16 14.460 -9.995 8.421 1.00 1.00 C ATOM 223 CG MET A 16 14.259 -9.619 6.949 1.00 1.00 C ATOM 224 SD MET A 16 12.899 -10.593 6.248 1.00 1.00 S ATOM 225 CE MET A 16 11.554 -9.459 6.671 1.00 1.00 C ATOM 0 H MET A 16 13.396 -12.067 7.655 1.00 1.00 H new ATOM 0 HA MET A 16 16.067 -11.338 7.920 1.00 1.00 H new ATOM 0 HB2 MET A 16 13.497 -10.034 8.929 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.054 -9.230 8.922 1.00 1.00 H new ATOM 0 HG2 MET A 16 14.039 -8.555 6.862 1.00 1.00 H new ATOM 0 HG3 MET A 16 15.176 -9.802 6.389 1.00 1.00 H new ATOM 0 HE1 MET A 16 10.898 -9.930 7.403 1.00 1.00 H new ATOM 0 HE2 MET A 16 11.969 -8.543 7.092 1.00 1.00 H new ATOM 0 HE3 MET A 16 10.984 -9.220 5.773 1.00 1.00 H new ATOM 235 N LYS A 17 14.600 -12.240 10.711 1.00 1.00 N ATOM 236 CA LYS A 17 14.861 -12.565 12.110 1.00 1.00 C ATOM 237 C LYS A 17 16.001 -13.571 12.227 1.00 1.00 C ATOM 238 O LYS A 17 16.888 -13.435 13.071 1.00 1.00 O ATOM 239 CB LYS A 17 13.598 -13.108 12.790 1.00 1.00 C ATOM 240 CG LYS A 17 13.709 -12.944 14.307 1.00 1.00 C ATOM 241 CD LYS A 17 12.391 -13.370 14.950 1.00 1.00 C ATOM 242 CE LYS A 17 12.489 -13.220 16.465 1.00 1.00 C ATOM 243 NZ LYS A 17 11.200 -13.636 17.086 1.00 1.00 N ATOM 0 H LYS A 17 13.681 -12.520 10.368 1.00 1.00 H new ATOM 0 HA LYS A 17 15.156 -11.647 12.618 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.720 -12.577 12.422 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.463 -14.160 12.539 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.529 -13.550 14.692 1.00 1.00 H new ATOM 0 HG3 LYS A 17 13.933 -11.907 14.558 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.573 -12.760 14.566 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.166 -14.404 14.691 1.00 1.00 H new ATOM 0 HE2 LYS A 17 13.305 -13.831 16.850 1.00 1.00 H new ATOM 0 HE3 LYS A 17 12.714 -12.186 16.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 11.264 -13.535 18.119 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 10.431 -13.035 16.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 11.004 -14.629 16.847 1.00 1.00 H new ATOM 257 N HIS A 18 15.950 -14.602 11.387 1.00 1.00 N ATOM 258 CA HIS A 18 16.966 -15.648 11.402 1.00 1.00 C ATOM 259 C HIS A 18 18.229 -15.206 10.674 1.00 1.00 C ATOM 260 O HIS A 18 19.334 -15.333 11.204 1.00 1.00 O ATOM 261 CB HIS A 18 16.417 -16.915 10.745 1.00 1.00 C ATOM 262 CG HIS A 18 15.270 -17.442 11.561 1.00 1.00 C ATOM 263 ND1 HIS A 18 14.492 -18.507 11.138 1.00 1.00 N ATOM 264 CD2 HIS A 18 14.751 -17.057 12.773 1.00 1.00 C ATOM 265 CE1 HIS A 18 13.557 -18.725 12.080 1.00 1.00 C ATOM 266 NE2 HIS A 18 13.670 -17.870 13.099 1.00 1.00 N ATOM 0 H HIS A 18 15.217 -14.734 10.690 1.00 1.00 H new ATOM 0 HA HIS A 18 17.223 -15.851 12.442 1.00 1.00 H new ATOM 0 HB2 HIS A 18 16.086 -16.697 9.730 1.00 1.00 H new ATOM 0 HB3 HIS A 18 17.201 -17.668 10.670 1.00 1.00 H new ATOM 0 HD2 HIS A 18 15.125 -16.246 13.381 1.00 1.00 H new ATOM 0 HE1 HIS A 18 12.806 -19.498 12.019 1.00 1.00 H new ATOM 0 HE2 HIS A 18 13.089 -17.823 13.936 1.00 1.00 H new ATOM 274 N ALA A 19 18.073 -14.718 9.444 1.00 1.00 N ATOM 275 CA ALA A 19 19.228 -14.306 8.651 1.00 1.00 C ATOM 276 C ALA A 19 20.052 -13.263 9.378 1.00 1.00 C ATOM 277 O ALA A 19 21.245 -13.104 9.116 1.00 1.00 O ATOM 278 CB ALA A 19 18.750 -13.742 7.314 1.00 1.00 C ATOM 0 H ALA A 19 17.172 -14.600 8.981 1.00 1.00 H new ATOM 0 HA ALA A 19 19.859 -15.179 8.485 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.611 -13.434 6.721 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.193 -14.508 6.774 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.105 -12.881 7.492 1.00 1.00 H new ATOM 284 N THR A 20 19.422 -12.576 10.299 1.00 1.00 N ATOM 285 CA THR A 20 20.125 -11.567 11.074 1.00 1.00 C ATOM 286 C THR A 20 21.135 -12.250 12.000 1.00 1.00 C ATOM 287 O THR A 20 22.069 -11.618 12.494 1.00 1.00 O ATOM 288 CB THR A 20 19.117 -10.737 11.894 1.00 1.00 C ATOM 289 OG1 THR A 20 18.046 -11.572 12.303 1.00 1.00 O ATOM 290 CG2 THR A 20 18.560 -9.580 11.052 1.00 1.00 C ATOM 0 H THR A 20 18.436 -12.690 10.533 1.00 1.00 H new ATOM 0 HA THR A 20 20.658 -10.896 10.401 1.00 1.00 H new ATOM 0 HB THR A 20 19.628 -10.326 12.765 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.254 -11.379 11.759 1.00 1.00 H new ATOM 0 HG21 THR A 20 17.850 -9.005 11.647 1.00 1.00 H new ATOM 0 HG22 THR A 20 19.378 -8.932 10.738 1.00 1.00 H new ATOM 0 HG23 THR A 20 18.055 -9.980 10.172 1.00 1.00 H new ATOM 298 N LYS A 21 20.950 -13.547 12.206 1.00 1.00 N ATOM 299 CA LYS A 21 21.865 -14.315 13.041 1.00 1.00 C ATOM 300 C LYS A 21 23.215 -14.486 12.349 1.00 1.00 C ATOM 301 O LYS A 21 24.264 -14.486 12.998 1.00 1.00 O ATOM 302 CB LYS A 21 21.260 -15.679 13.381 1.00 1.00 C ATOM 303 CG LYS A 21 19.930 -15.489 14.126 1.00 1.00 C ATOM 304 CD LYS A 21 20.178 -15.118 15.598 1.00 1.00 C ATOM 305 CE LYS A 21 18.837 -15.065 16.333 1.00 1.00 C ATOM 306 NZ LYS A 21 18.253 -16.433 16.388 1.00 1.00 N ATOM 0 H LYS A 21 20.181 -14.087 11.810 1.00 1.00 H new ATOM 0 HA LYS A 21 22.025 -13.765 13.969 1.00 1.00 H new ATOM 0 HB2 LYS A 21 21.097 -16.252 12.468 1.00 1.00 H new ATOM 0 HB3 LYS A 21 21.954 -16.251 13.997 1.00 1.00 H new ATOM 0 HG2 LYS A 21 19.345 -14.706 13.642 1.00 1.00 H new ATOM 0 HG3 LYS A 21 19.343 -16.406 14.071 1.00 1.00 H new ATOM 0 HD2 LYS A 21 20.834 -15.852 16.065 1.00 1.00 H new ATOM 0 HD3 LYS A 21 20.681 -14.153 15.663 1.00 1.00 H new ATOM 0 HE2 LYS A 21 18.977 -14.676 17.342 1.00 1.00 H new ATOM 0 HE3 LYS A 21 18.155 -14.386 15.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 17.608 -16.503 17.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 17.726 -16.621 15.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 19.016 -17.132 16.490 1.00 1.00 H new ATOM 320 N THR A 22 23.180 -14.656 11.031 1.00 1.00 N ATOM 321 CA THR A 22 24.406 -14.853 10.258 1.00 1.00 C ATOM 322 C THR A 22 25.362 -13.675 10.421 1.00 1.00 C ATOM 323 O THR A 22 26.535 -13.761 10.063 1.00 1.00 O ATOM 324 CB THR A 22 24.064 -15.041 8.779 1.00 1.00 C ATOM 325 OG1 THR A 22 23.068 -16.047 8.651 1.00 1.00 O ATOM 326 CG2 THR A 22 25.318 -15.457 8.009 1.00 1.00 C ATOM 0 H THR A 22 22.324 -14.662 10.477 1.00 1.00 H new ATOM 0 HA THR A 22 24.902 -15.747 10.636 1.00 1.00 H new ATOM 0 HB THR A 22 23.689 -14.103 8.370 1.00 1.00 H new ATOM 0 HG1 THR A 22 22.846 -16.168 7.704 1.00 1.00 H new ATOM 0 HG21 THR A 22 25.071 -15.590 6.956 1.00 1.00 H new ATOM 0 HG22 THR A 22 26.079 -14.683 8.108 1.00 1.00 H new ATOM 0 HG23 THR A 22 25.699 -16.395 8.414 1.00 1.00 H new ATOM 334 N ALA A 23 24.854 -12.577 10.963 1.00 1.00 N ATOM 335 CA ALA A 23 25.665 -11.387 11.170 1.00 1.00 C ATOM 336 C ALA A 23 26.980 -11.753 11.842 1.00 1.00 C ATOM 337 O ALA A 23 28.042 -11.374 11.374 1.00 1.00 O ATOM 338 CB ALA A 23 24.901 -10.392 12.044 1.00 1.00 C ATOM 0 H ALA A 23 23.885 -12.486 11.267 1.00 1.00 H new ATOM 0 HA ALA A 23 25.879 -10.934 10.202 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.510 -9.501 12.198 1.00 1.00 H new ATOM 0 HB2 ALA A 23 23.970 -10.114 11.550 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.678 -10.850 13.007 1.00 1.00 H new ATOM 344 N LYS A 24 26.905 -12.489 12.941 1.00 1.00 N ATOM 345 CA LYS A 24 28.111 -12.893 13.657 1.00 1.00 C ATOM 346 C LYS A 24 29.122 -13.525 12.694 1.00 1.00 C ATOM 347 O LYS A 24 30.126 -12.920 12.335 1.00 1.00 O ATOM 348 CB LYS A 24 27.729 -13.903 14.738 1.00 1.00 C ATOM 349 CG LYS A 24 26.808 -13.227 15.760 1.00 1.00 C ATOM 350 CD LYS A 24 26.491 -14.192 16.911 1.00 1.00 C ATOM 351 CE LYS A 24 25.591 -15.333 16.419 1.00 1.00 C ATOM 352 NZ LYS A 24 24.983 -16.022 17.594 1.00 1.00 N ATOM 0 H LYS A 24 26.032 -12.817 13.355 1.00 1.00 H new ATOM 0 HA LYS A 24 28.570 -12.015 14.111 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.227 -14.760 14.290 1.00 1.00 H new ATOM 0 HB3 LYS A 24 28.624 -14.281 15.232 1.00 1.00 H new ATOM 0 HG2 LYS A 24 27.285 -12.328 16.151 1.00 1.00 H new ATOM 0 HG3 LYS A 24 25.884 -12.913 15.275 1.00 1.00 H new ATOM 0 HD2 LYS A 24 27.416 -14.600 17.318 1.00 1.00 H new ATOM 0 HD3 LYS A 24 25.997 -13.654 17.720 1.00 1.00 H new ATOM 0 HE2 LYS A 24 24.809 -14.941 15.768 1.00 1.00 H new ATOM 0 HE3 LYS A 24 26.172 -16.041 15.828 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 24.372 -16.796 17.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 25.736 -16.408 18.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 24.416 -15.342 18.140 1.00 1.00 H new ATOM 366 N ASP A 25 28.843 -14.762 12.310 1.00 1.00 N ATOM 367 CA ASP A 25 29.725 -15.507 11.423 1.00 1.00 C ATOM 368 C ASP A 25 30.163 -14.601 10.281 1.00 1.00 C ATOM 369 O ASP A 25 31.325 -14.608 9.880 1.00 1.00 O ATOM 370 CB ASP A 25 28.997 -16.733 10.858 1.00 1.00 C ATOM 371 CG ASP A 25 28.826 -17.800 11.937 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.384 -17.631 13.009 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.137 -18.773 11.675 1.00 1.00 O ATOM 0 H ASP A 25 28.009 -15.273 12.600 1.00 1.00 H new ATOM 0 HA ASP A 25 30.597 -15.845 11.983 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.021 -16.438 10.473 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.560 -17.143 10.019 1.00 1.00 H new ATOM 378 N ALA A 26 29.228 -13.803 9.784 1.00 1.00 N ATOM 379 CA ALA A 26 29.535 -12.871 8.714 1.00 1.00 C ATOM 380 C ALA A 26 30.455 -11.762 9.225 1.00 1.00 C ATOM 381 O ALA A 26 31.390 -11.350 8.539 1.00 1.00 O ATOM 382 CB ALA A 26 28.245 -12.252 8.178 1.00 1.00 C ATOM 0 H ALA A 26 28.259 -13.784 10.103 1.00 1.00 H new ATOM 0 HA ALA A 26 30.039 -13.413 7.914 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.483 -11.554 7.375 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.596 -13.039 7.794 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.735 -11.721 8.982 1.00 1.00 H new ATOM 388 N LEU A 27 30.170 -11.270 10.432 1.00 1.00 N ATOM 389 CA LEU A 27 30.979 -10.190 11.012 1.00 1.00 C ATOM 390 C LEU A 27 32.436 -10.614 11.152 1.00 1.00 C ATOM 391 O LEU A 27 33.350 -9.853 10.831 1.00 1.00 O ATOM 392 CB LEU A 27 30.418 -9.784 12.391 1.00 1.00 C ATOM 393 CG LEU A 27 29.211 -8.835 12.227 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.300 -8.934 13.457 1.00 1.00 C ATOM 395 CD2 LEU A 27 29.696 -7.384 12.095 1.00 1.00 C ATOM 0 H LEU A 27 29.401 -11.593 11.019 1.00 1.00 H new ATOM 0 HA LEU A 27 30.931 -9.334 10.339 1.00 1.00 H new ATOM 0 HB2 LEU A 27 30.116 -10.674 12.943 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.196 -9.294 12.977 1.00 1.00 H new ATOM 0 HG LEU A 27 28.662 -9.125 11.331 1.00 1.00 H new ATOM 0 HD11 LEU A 27 27.450 -8.262 13.335 1.00 1.00 H new ATOM 0 HD12 LEU A 27 27.941 -9.958 13.562 1.00 1.00 H new ATOM 0 HD13 LEU A 27 28.860 -8.652 14.348 1.00 1.00 H new ATOM 0 HD21 LEU A 27 28.837 -6.722 11.980 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.253 -7.104 12.989 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.343 -7.295 11.222 1.00 1.00 H new ATOM 407 N SER A 28 32.641 -11.819 11.637 1.00 1.00 N ATOM 408 CA SER A 28 33.991 -12.333 11.814 1.00 1.00 C ATOM 409 C SER A 28 34.689 -12.362 10.465 1.00 1.00 C ATOM 410 O SER A 28 35.916 -12.272 10.374 1.00 1.00 O ATOM 411 CB SER A 28 33.934 -13.738 12.402 1.00 1.00 C ATOM 412 OG SER A 28 35.256 -14.212 12.621 1.00 1.00 O ATOM 0 H SER A 28 31.899 -12.461 11.916 1.00 1.00 H new ATOM 0 HA SER A 28 34.545 -11.689 12.497 1.00 1.00 H new ATOM 0 HB2 SER A 28 33.379 -13.729 13.340 1.00 1.00 H new ATOM 0 HB3 SER A 28 33.404 -14.407 11.724 1.00 1.00 H new ATOM 0 HG SER A 28 35.221 -15.115 13.001 1.00 1.00 H new ATOM 418 N SER A 29 33.878 -12.485 9.420 1.00 1.00 N ATOM 419 CA SER A 29 34.416 -12.521 8.057 1.00 1.00 C ATOM 420 C SER A 29 34.871 -11.132 7.596 1.00 1.00 C ATOM 421 O SER A 29 35.336 -10.976 6.468 1.00 1.00 O ATOM 422 CB SER A 29 33.386 -13.072 7.069 1.00 1.00 C ATOM 423 OG SER A 29 34.061 -13.481 5.885 1.00 1.00 O ATOM 0 H SER A 29 32.863 -12.561 9.483 1.00 1.00 H new ATOM 0 HA SER A 29 35.280 -13.185 8.076 1.00 1.00 H new ATOM 0 HB2 SER A 29 32.853 -13.914 7.510 1.00 1.00 H new ATOM 0 HB3 SER A 29 32.642 -12.311 6.836 1.00 1.00 H new ATOM 0 HG SER A 29 34.717 -12.799 5.631 1.00 1.00 H new ATOM 429 N VAL A 30 34.729 -10.129 8.465 1.00 1.00 N ATOM 430 CA VAL A 30 35.118 -8.759 8.115 1.00 1.00 C ATOM 431 C VAL A 30 36.576 -8.676 7.646 1.00 1.00 C ATOM 432 O VAL A 30 37.070 -7.592 7.345 1.00 1.00 O ATOM 433 CB VAL A 30 34.910 -7.833 9.316 1.00 1.00 C ATOM 434 CG1 VAL A 30 35.829 -8.273 10.457 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.229 -6.378 8.922 1.00 1.00 C ATOM 0 H VAL A 30 34.352 -10.236 9.407 1.00 1.00 H new ATOM 0 HA VAL A 30 34.484 -8.442 7.287 1.00 1.00 H new ATOM 0 HB VAL A 30 33.871 -7.890 9.640 1.00 1.00 H new ATOM 0 HG11 VAL A 30 35.684 -7.616 11.315 1.00 1.00 H new ATOM 0 HG12 VAL A 30 35.591 -9.298 10.741 1.00 1.00 H new ATOM 0 HG13 VAL A 30 36.867 -8.219 10.130 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.078 -5.727 9.783 1.00 1.00 H new ATOM 0 HG22 VAL A 30 36.266 -6.309 8.592 1.00 1.00 H new ATOM 0 HG23 VAL A 30 34.569 -6.067 8.112 1.00 1.00 H new ATOM 445 N GLN A 31 37.259 -9.819 7.589 1.00 1.00 N ATOM 446 CA GLN A 31 38.661 -9.856 7.148 1.00 1.00 C ATOM 447 C GLN A 31 38.883 -8.941 5.952 1.00 1.00 C ATOM 448 O GLN A 31 40.016 -8.578 5.634 1.00 1.00 O ATOM 449 CB GLN A 31 39.028 -11.295 6.775 1.00 1.00 C ATOM 450 CG GLN A 31 40.502 -11.375 6.376 1.00 1.00 C ATOM 451 CD GLN A 31 40.904 -12.829 6.150 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.227 -13.746 6.620 1.00 1.00 O ATOM 453 NE2 GLN A 31 41.971 -13.095 5.449 1.00 1.00 N ATOM 0 H GLN A 31 36.871 -10.728 7.840 1.00 1.00 H new ATOM 0 HA GLN A 31 39.295 -9.506 7.962 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.835 -11.958 7.618 1.00 1.00 H new ATOM 0 HB3 GLN A 31 38.401 -11.637 5.951 1.00 1.00 H new ATOM 0 HG2 GLN A 31 40.673 -10.797 5.468 1.00 1.00 H new ATOM 0 HG3 GLN A 31 41.123 -10.935 7.156 1.00 1.00 H new ATOM 0 HE21 GLN A 31 42.529 -12.334 5.061 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.247 -14.064 5.288 1.00 1.00 H new ATOM 462 N GLU A 32 37.799 -8.537 5.315 1.00 1.00 N ATOM 463 CA GLU A 32 37.900 -7.634 4.190 1.00 1.00 C ATOM 464 C GLU A 32 38.336 -6.261 4.696 1.00 1.00 C ATOM 465 O GLU A 32 38.632 -5.361 3.913 1.00 1.00 O ATOM 466 CB GLU A 32 36.540 -7.526 3.497 1.00 1.00 C ATOM 467 CG GLU A 32 36.682 -6.752 2.185 1.00 1.00 C ATOM 468 CD GLU A 32 35.373 -6.796 1.405 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.526 -7.603 1.750 1.00 1.00 O ATOM 470 OE2 GLU A 32 35.235 -6.016 0.476 1.00 1.00 O ATOM 0 H GLU A 32 36.849 -8.818 5.556 1.00 1.00 H new ATOM 0 HA GLU A 32 38.632 -8.010 3.476 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.143 -8.522 3.300 1.00 1.00 H new ATOM 0 HB3 GLU A 32 35.828 -7.022 4.151 1.00 1.00 H new ATOM 0 HG2 GLU A 32 36.956 -5.718 2.392 1.00 1.00 H new ATOM 0 HG3 GLU A 32 37.486 -7.181 1.586 1.00 1.00 H new ATOM 477 N SER A 33 38.397 -6.114 6.024 1.00 1.00 N ATOM 478 CA SER A 33 38.816 -4.847 6.615 1.00 1.00 C ATOM 479 C SER A 33 40.139 -4.417 6.014 1.00 1.00 C ATOM 480 O SER A 33 40.513 -3.245 6.080 1.00 1.00 O ATOM 481 CB SER A 33 38.966 -4.977 8.137 1.00 1.00 C ATOM 482 OG SER A 33 39.954 -4.057 8.591 1.00 1.00 O ATOM 0 H SER A 33 38.165 -6.845 6.697 1.00 1.00 H new ATOM 0 HA SER A 33 38.052 -4.099 6.403 1.00 1.00 H new ATOM 0 HB2 SER A 33 38.013 -4.777 8.627 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.252 -5.995 8.401 1.00 1.00 H new ATOM 0 HG SER A 33 40.052 -4.136 9.563 1.00 1.00 H new ATOM 488 N GLN A 34 40.849 -5.376 5.431 1.00 1.00 N ATOM 489 CA GLN A 34 42.145 -5.068 4.828 1.00 1.00 C ATOM 490 C GLN A 34 42.022 -3.877 3.876 1.00 1.00 C ATOM 491 O GLN A 34 43.026 -3.279 3.490 1.00 1.00 O ATOM 492 CB GLN A 34 42.680 -6.284 4.063 1.00 1.00 C ATOM 493 CG GLN A 34 44.071 -5.972 3.499 1.00 1.00 C ATOM 494 CD GLN A 34 44.696 -7.243 2.935 1.00 1.00 C ATOM 495 OE1 GLN A 34 44.273 -8.346 3.278 1.00 1.00 O ATOM 496 NE2 GLN A 34 45.682 -7.153 2.085 1.00 1.00 N ATOM 0 H GLN A 34 40.560 -6.352 5.362 1.00 1.00 H new ATOM 0 HA GLN A 34 42.841 -4.814 5.627 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.732 -7.148 4.725 1.00 1.00 H new ATOM 0 HB3 GLN A 34 41.999 -6.544 3.253 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.996 -5.215 2.718 1.00 1.00 H new ATOM 0 HG3 GLN A 34 44.707 -5.560 4.282 1.00 1.00 H new ATOM 0 HE21 GLN A 34 46.030 -6.237 1.803 1.00 1.00 H new ATOM 0 HE22 GLN A 34 46.105 -7.999 1.703 1.00 1.00 H new ATOM 505 N VAL A 35 40.787 -3.534 3.498 1.00 1.00 N ATOM 506 CA VAL A 35 40.554 -2.408 2.589 1.00 1.00 C ATOM 507 C VAL A 35 41.432 -1.207 2.968 1.00 1.00 C ATOM 508 O VAL A 35 41.598 -0.279 2.184 1.00 1.00 O ATOM 509 CB VAL A 35 39.072 -2.005 2.632 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.232 -2.985 1.798 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.589 -2.041 4.083 1.00 1.00 C ATOM 0 H VAL A 35 39.941 -4.014 3.804 1.00 1.00 H new ATOM 0 HA VAL A 35 40.818 -2.720 1.579 1.00 1.00 H new ATOM 0 HB VAL A 35 38.961 -1.001 2.221 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.184 -2.689 1.836 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.576 -2.970 0.764 1.00 1.00 H new ATOM 0 HG13 VAL A 35 38.340 -3.992 2.202 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.538 -1.756 4.124 1.00 1.00 H new ATOM 0 HG22 VAL A 35 38.708 -3.049 4.481 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.177 -1.344 4.680 1.00 1.00 H new ATOM 521 N ALA A 36 42.022 -1.244 4.156 1.00 1.00 N ATOM 522 CA ALA A 36 42.915 -0.172 4.587 1.00 1.00 C ATOM 523 C ALA A 36 43.904 0.137 3.473 1.00 1.00 C ATOM 524 O ALA A 36 43.862 1.214 2.876 1.00 1.00 O ATOM 525 CB ALA A 36 43.662 -0.608 5.845 1.00 1.00 C ATOM 0 H ALA A 36 41.901 -1.996 4.834 1.00 1.00 H new ATOM 0 HA ALA A 36 42.336 0.724 4.810 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.329 0.192 6.168 1.00 1.00 H new ATOM 0 HB2 ALA A 36 42.945 -0.824 6.637 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.246 -1.503 5.630 1.00 1.00 H new ATOM 531 N GLN A 37 44.797 -0.817 3.200 1.00 1.00 N ATOM 532 CA GLN A 37 45.801 -0.633 2.151 1.00 1.00 C ATOM 533 C GLN A 37 45.171 0.089 0.961 1.00 1.00 C ATOM 534 O GLN A 37 45.784 0.978 0.372 1.00 1.00 O ATOM 535 CB GLN A 37 46.358 -1.990 1.707 1.00 1.00 C ATOM 536 CG GLN A 37 45.261 -2.810 1.009 1.00 1.00 C ATOM 537 CD GLN A 37 45.150 -2.404 -0.457 1.00 1.00 C ATOM 538 OE1 GLN A 37 46.153 -2.076 -1.092 1.00 1.00 O ATOM 539 NE2 GLN A 37 43.981 -2.407 -1.037 1.00 1.00 N ATOM 0 H GLN A 37 44.846 -1.714 3.684 1.00 1.00 H new ATOM 0 HA GLN A 37 46.621 -0.032 2.544 1.00 1.00 H new ATOM 0 HB2 GLN A 37 47.199 -1.842 1.029 1.00 1.00 H new ATOM 0 HB3 GLN A 37 46.737 -2.536 2.571 1.00 1.00 H new ATOM 0 HG2 GLN A 37 45.489 -3.873 1.083 1.00 1.00 H new ATOM 0 HG3 GLN A 37 44.306 -2.654 1.510 1.00 1.00 H new ATOM 0 HE21 GLN A 37 43.151 -2.679 -0.510 1.00 1.00 H new ATOM 0 HE22 GLN A 37 43.897 -2.138 -2.017 1.00 1.00 H new ATOM 548 N GLN A 38 43.930 -0.280 0.631 1.00 1.00 N ATOM 549 CA GLN A 38 43.223 0.368 -0.472 1.00 1.00 C ATOM 550 C GLN A 38 43.075 1.843 -0.137 1.00 1.00 C ATOM 551 O GLN A 38 43.616 2.699 -0.827 1.00 1.00 O ATOM 552 CB GLN A 38 41.831 -0.267 -0.647 1.00 1.00 C ATOM 553 CG GLN A 38 41.347 -0.096 -2.085 1.00 1.00 C ATOM 554 CD GLN A 38 42.126 -1.029 -3.001 1.00 1.00 C ATOM 555 OE1 GLN A 38 42.242 -2.221 -2.718 1.00 1.00 O ATOM 556 NE2 GLN A 38 42.671 -0.554 -4.083 1.00 1.00 N ATOM 0 H GLN A 38 43.402 -1.013 1.105 1.00 1.00 H new ATOM 0 HA GLN A 38 43.781 0.244 -1.400 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.873 -1.326 -0.394 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.123 0.197 0.040 1.00 1.00 H new ATOM 0 HG2 GLN A 38 40.281 -0.314 -2.149 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.481 0.938 -2.404 1.00 1.00 H new ATOM 0 HE21 GLN A 38 42.571 0.435 -4.312 1.00 1.00 H new ATOM 0 HE22 GLN A 38 43.198 -1.171 -4.702 1.00 1.00 H new ATOM 565 N ALA A 39 42.340 2.126 0.937 1.00 1.00 N ATOM 566 CA ALA A 39 42.154 3.510 1.367 1.00 1.00 C ATOM 567 C ALA A 39 43.503 4.223 1.297 1.00 1.00 C ATOM 568 O ALA A 39 43.646 5.245 0.622 1.00 1.00 O ATOM 569 CB ALA A 39 41.610 3.558 2.797 1.00 1.00 C ATOM 0 H ALA A 39 41.871 1.429 1.516 1.00 1.00 H new ATOM 0 HA ALA A 39 41.434 4.003 0.714 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.477 4.596 3.101 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.651 3.042 2.839 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.314 3.070 3.471 1.00 1.00 H new ATOM 575 N ARG A 40 44.496 3.648 1.983 1.00 1.00 N ATOM 576 CA ARG A 40 45.853 4.208 1.978 1.00 1.00 C ATOM 577 C ARG A 40 46.384 4.344 0.556 1.00 1.00 C ATOM 578 O ARG A 40 47.459 4.881 0.323 1.00 1.00 O ATOM 579 CB ARG A 40 46.809 3.343 2.807 1.00 1.00 C ATOM 580 CG ARG A 40 46.462 3.444 4.296 1.00 1.00 C ATOM 581 CD ARG A 40 47.385 2.519 5.095 1.00 1.00 C ATOM 582 NE ARG A 40 48.773 2.962 4.970 1.00 1.00 N ATOM 583 CZ ARG A 40 49.775 2.238 5.459 1.00 1.00 C ATOM 584 NH1 ARG A 40 49.534 1.090 6.033 1.00 1.00 N ATOM 585 NH2 ARG A 40 51.002 2.675 5.365 1.00 1.00 N ATOM 0 H ARG A 40 44.389 2.803 2.544 1.00 1.00 H new ATOM 0 HA ARG A 40 45.798 5.199 2.428 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.746 2.305 2.482 1.00 1.00 H new ATOM 0 HB3 ARG A 40 47.837 3.666 2.643 1.00 1.00 H new ATOM 0 HG2 ARG A 40 46.574 4.473 4.638 1.00 1.00 H new ATOM 0 HG3 ARG A 40 45.421 3.166 4.458 1.00 1.00 H new ATOM 0 HD2 ARG A 40 47.089 2.516 6.144 1.00 1.00 H new ATOM 0 HD3 ARG A 40 47.288 1.495 4.733 1.00 1.00 H new ATOM 0 HE ARG A 40 48.976 3.843 4.499 1.00 1.00 H new ATOM 0 HH11 ARG A 40 48.576 0.748 6.107 1.00 1.00 H new ATOM 0 HH12 ARG A 40 50.304 0.536 6.408 1.00 1.00 H new ATOM 0 HH21 ARG A 40 51.191 3.571 4.917 1.00 1.00 H new ATOM 0 HH22 ARG A 40 51.771 2.120 5.740 1.00 1.00 H new ATOM 599 N GLY A 41 45.586 3.863 -0.368 1.00 1.00 N ATOM 600 CA GLY A 41 45.899 3.939 -1.786 1.00 1.00 C ATOM 601 C GLY A 41 45.467 5.302 -2.328 1.00 1.00 C ATOM 602 O GLY A 41 46.267 6.061 -2.884 1.00 1.00 O ATOM 0 H GLY A 41 44.698 3.406 -0.163 1.00 1.00 H new ATOM 0 HA2 GLY A 41 46.968 3.795 -1.942 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.388 3.142 -2.326 1.00 1.00 H new ATOM 606 N TRP A 42 44.168 5.566 -2.208 1.00 1.00 N ATOM 607 CA TRP A 42 43.581 6.806 -2.737 1.00 1.00 C ATOM 608 C TRP A 42 44.492 7.999 -2.448 1.00 1.00 C ATOM 609 O TRP A 42 44.416 9.030 -3.117 1.00 1.00 O ATOM 610 CB TRP A 42 42.177 7.038 -2.117 1.00 1.00 C ATOM 611 CG TRP A 42 41.201 7.523 -3.158 1.00 1.00 C ATOM 612 CD1 TRP A 42 41.384 8.590 -3.975 1.00 1.00 C ATOM 613 CD2 TRP A 42 39.894 6.971 -3.499 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.276 8.720 -4.797 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.332 7.746 -4.542 1.00 1.00 C ATOM 616 CE3 TRP A 42 39.153 5.882 -3.010 1.00 1.00 C ATOM 617 CZ2 TRP A 42 38.078 7.449 -5.079 1.00 1.00 C ATOM 618 CZ3 TRP A 42 37.891 5.581 -3.547 1.00 1.00 C ATOM 619 CH2 TRP A 42 37.355 6.362 -4.581 1.00 1.00 C ATOM 0 H TRP A 42 43.500 4.944 -1.752 1.00 1.00 H new ATOM 0 HA TRP A 42 43.478 6.707 -3.818 1.00 1.00 H new ATOM 0 HB2 TRP A 42 41.813 6.110 -1.676 1.00 1.00 H new ATOM 0 HB3 TRP A 42 42.247 7.768 -1.311 1.00 1.00 H new ATOM 0 HD1 TRP A 42 42.252 9.233 -3.984 1.00 1.00 H new ATOM 0 HE1 TRP A 42 40.171 9.447 -5.505 1.00 1.00 H new ATOM 0 HE3 TRP A 42 39.557 5.272 -2.215 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 37.670 8.055 -5.874 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 37.330 4.743 -3.161 1.00 1.00 H new ATOM 0 HH2 TRP A 42 36.385 6.124 -4.992 1.00 1.00 H new ATOM 630 N VAL A 43 45.365 7.828 -1.468 1.00 1.00 N ATOM 631 CA VAL A 43 46.311 8.872 -1.100 1.00 1.00 C ATOM 632 C VAL A 43 47.222 9.204 -2.288 1.00 1.00 C ATOM 633 O VAL A 43 47.435 10.371 -2.619 1.00 1.00 O ATOM 634 CB VAL A 43 47.138 8.416 0.107 1.00 1.00 C ATOM 635 CG1 VAL A 43 46.206 7.770 1.138 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.196 7.396 -0.331 1.00 1.00 C ATOM 0 H VAL A 43 45.439 6.976 -0.912 1.00 1.00 H new ATOM 0 HA VAL A 43 45.764 9.775 -0.829 1.00 1.00 H new ATOM 0 HB VAL A 43 47.639 9.279 0.545 1.00 1.00 H new ATOM 0 HG11 VAL A 43 46.788 7.443 2.000 1.00 1.00 H new ATOM 0 HG12 VAL A 43 45.459 8.496 1.459 1.00 1.00 H new ATOM 0 HG13 VAL A 43 45.707 6.911 0.690 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.777 7.080 0.535 1.00 1.00 H new ATOM 0 HG22 VAL A 43 47.705 6.530 -0.774 1.00 1.00 H new ATOM 0 HG23 VAL A 43 48.859 7.852 -1.066 1.00 1.00 H new ATOM 646 N THR A 44 47.754 8.156 -2.908 1.00 1.00 N ATOM 647 CA THR A 44 48.652 8.321 -4.046 1.00 1.00 C ATOM 648 C THR A 44 47.922 9.038 -5.168 1.00 1.00 C ATOM 649 O THR A 44 48.478 9.927 -5.815 1.00 1.00 O ATOM 650 CB THR A 44 49.159 6.961 -4.543 1.00 1.00 C ATOM 651 OG1 THR A 44 49.646 6.208 -3.438 1.00 1.00 O ATOM 652 CG2 THR A 44 50.290 7.177 -5.553 1.00 1.00 C ATOM 0 H THR A 44 47.580 7.186 -2.643 1.00 1.00 H new ATOM 0 HA THR A 44 49.511 8.913 -3.729 1.00 1.00 H new ATOM 0 HB THR A 44 48.344 6.419 -5.022 1.00 1.00 H new ATOM 0 HG1 THR A 44 49.969 5.338 -3.752 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.651 6.211 -5.907 1.00 1.00 H new ATOM 0 HG22 THR A 44 49.918 7.757 -6.398 1.00 1.00 H new ATOM 0 HG23 THR A 44 51.107 7.717 -5.074 1.00 1.00 H new ATOM 660 N ASP A 45 46.675 8.656 -5.387 1.00 1.00 N ATOM 661 CA ASP A 45 45.877 9.278 -6.425 1.00 1.00 C ATOM 662 C ASP A 45 45.466 10.687 -6.002 1.00 1.00 C ATOM 663 O ASP A 45 44.598 11.300 -6.625 1.00 1.00 O ATOM 664 CB ASP A 45 44.628 8.437 -6.694 1.00 1.00 C ATOM 665 CG ASP A 45 43.917 8.939 -7.945 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.594 9.173 -8.933 1.00 1.00 O ATOM 667 OD2 ASP A 45 42.707 9.082 -7.898 1.00 1.00 O ATOM 0 H ASP A 45 46.198 7.923 -4.863 1.00 1.00 H new ATOM 0 HA ASP A 45 46.473 9.341 -7.335 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.905 7.390 -6.819 1.00 1.00 H new ATOM 0 HB3 ASP A 45 43.955 8.488 -5.838 1.00 1.00 H new ATOM 672 N GLY A 46 46.103 11.211 -4.952 1.00 1.00 N ATOM 673 CA GLY A 46 45.781 12.562 -4.499 1.00 1.00 C ATOM 674 C GLY A 46 44.365 12.625 -3.934 1.00 1.00 C ATOM 675 O GLY A 46 43.557 13.445 -4.368 1.00 1.00 O ATOM 0 H GLY A 46 46.826 10.734 -4.413 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.495 12.874 -3.737 1.00 1.00 H new ATOM 0 HA3 GLY A 46 45.876 13.261 -5.330 1.00 1.00 H new ATOM 679 N PHE A 47 44.066 11.776 -2.955 1.00 1.00 N ATOM 680 CA PHE A 47 42.743 11.770 -2.334 1.00 1.00 C ATOM 681 C PHE A 47 42.301 13.187 -1.970 1.00 1.00 C ATOM 682 O PHE A 47 41.110 13.469 -1.861 1.00 1.00 O ATOM 683 CB PHE A 47 42.762 10.880 -1.078 1.00 1.00 C ATOM 684 CG PHE A 47 43.316 11.656 0.104 1.00 1.00 C ATOM 685 CD1 PHE A 47 44.620 12.161 0.056 1.00 1.00 C ATOM 686 CD2 PHE A 47 42.526 11.868 1.241 1.00 1.00 C ATOM 687 CE1 PHE A 47 45.134 12.881 1.141 1.00 1.00 C ATOM 688 CE2 PHE A 47 43.040 12.588 2.326 1.00 1.00 C ATOM 689 CZ PHE A 47 44.345 13.093 2.276 1.00 1.00 C ATOM 0 H PHE A 47 44.716 11.087 -2.576 1.00 1.00 H new ATOM 0 HA PHE A 47 42.027 11.368 -3.051 1.00 1.00 H new ATOM 0 HB2 PHE A 47 41.754 10.532 -0.854 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.371 9.995 -1.259 1.00 1.00 H new ATOM 0 HD1 PHE A 47 45.231 11.995 -0.819 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.520 11.476 1.281 1.00 1.00 H new ATOM 0 HE1 PHE A 47 46.140 13.273 1.102 1.00 1.00 H new ATOM 0 HE2 PHE A 47 42.430 12.754 3.202 1.00 1.00 H new ATOM 0 HZ PHE A 47 44.742 13.646 3.114 1.00 1.00 H new ATOM 699 N SER A 48 43.277 14.068 -1.760 1.00 1.00 N ATOM 700 CA SER A 48 42.978 15.443 -1.379 1.00 1.00 C ATOM 701 C SER A 48 41.876 16.011 -2.257 1.00 1.00 C ATOM 702 O SER A 48 41.111 16.874 -1.826 1.00 1.00 O ATOM 703 CB SER A 48 44.230 16.314 -1.500 1.00 1.00 C ATOM 704 OG SER A 48 45.252 15.781 -0.666 1.00 1.00 O ATOM 0 H SER A 48 44.271 13.856 -1.846 1.00 1.00 H new ATOM 0 HA SER A 48 42.642 15.443 -0.342 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.568 16.344 -2.536 1.00 1.00 H new ATOM 0 HB3 SER A 48 44.004 17.340 -1.208 1.00 1.00 H new ATOM 0 HG SER A 48 44.902 15.010 -0.172 1.00 1.00 H new ATOM 710 N SER A 49 41.803 15.540 -3.493 1.00 1.00 N ATOM 711 CA SER A 49 40.798 16.035 -4.414 1.00 1.00 C ATOM 712 C SER A 49 39.415 16.005 -3.772 1.00 1.00 C ATOM 713 O SER A 49 38.476 16.613 -4.283 1.00 1.00 O ATOM 714 CB SER A 49 40.794 15.168 -5.674 1.00 1.00 C ATOM 715 OG SER A 49 42.119 15.067 -6.180 1.00 1.00 O ATOM 0 H SER A 49 42.421 14.824 -3.876 1.00 1.00 H new ATOM 0 HA SER A 49 41.039 17.066 -4.672 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.403 14.176 -5.446 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.137 15.604 -6.427 1.00 1.00 H new ATOM 0 HG SER A 49 42.612 14.389 -5.673 1.00 1.00 H new ATOM 721 N LEU A 50 39.297 15.332 -2.631 1.00 1.00 N ATOM 722 CA LEU A 50 38.024 15.287 -1.922 1.00 1.00 C ATOM 723 C LEU A 50 37.850 16.574 -1.122 1.00 1.00 C ATOM 724 O LEU A 50 36.735 17.053 -0.923 1.00 1.00 O ATOM 725 CB LEU A 50 37.968 14.079 -0.981 1.00 1.00 C ATOM 726 CG LEU A 50 37.962 12.774 -1.792 1.00 1.00 C ATOM 727 CD1 LEU A 50 38.082 11.587 -0.829 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.659 12.648 -2.609 1.00 1.00 C ATOM 0 H LEU A 50 40.056 14.818 -2.183 1.00 1.00 H new ATOM 0 HA LEU A 50 37.218 15.191 -2.650 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.825 14.093 -0.308 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.074 14.134 -0.360 1.00 1.00 H new ATOM 0 HG LEU A 50 38.804 12.781 -2.484 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.079 10.656 -1.396 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.013 11.666 -0.268 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.240 11.593 -0.137 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.674 11.717 -3.176 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.804 12.647 -1.933 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.577 13.490 -3.296 1.00 1.00 H new ATOM 740 N LYS A 51 38.972 17.130 -0.669 1.00 1.00 N ATOM 741 CA LYS A 51 38.946 18.365 0.106 1.00 1.00 C ATOM 742 C LYS A 51 38.307 19.483 -0.712 1.00 1.00 C ATOM 743 O LYS A 51 37.497 20.254 -0.203 1.00 1.00 O ATOM 744 CB LYS A 51 40.371 18.762 0.504 1.00 1.00 C ATOM 745 CG LYS A 51 40.325 19.978 1.432 1.00 1.00 C ATOM 746 CD LYS A 51 41.740 20.318 1.909 1.00 1.00 C ATOM 747 CE LYS A 51 41.681 21.504 2.874 1.00 1.00 C ATOM 748 NZ LYS A 51 41.259 22.728 2.137 1.00 1.00 N ATOM 0 H LYS A 51 39.904 16.746 -0.825 1.00 1.00 H new ATOM 0 HA LYS A 51 38.355 18.203 1.008 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.865 17.929 1.004 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.957 18.993 -0.386 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.893 20.831 0.908 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.683 19.770 2.288 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.186 19.455 2.403 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.374 20.560 1.056 1.00 1.00 H new ATOM 0 HE2 LYS A 51 40.980 21.294 3.682 1.00 1.00 H new ATOM 0 HE3 LYS A 51 42.657 21.662 3.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 41.491 23.570 2.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 41.757 22.773 1.225 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 40.233 22.696 1.969 1.00 1.00 H new ATOM 762 N ASP A 52 38.674 19.549 -1.987 1.00 1.00 N ATOM 763 CA ASP A 52 38.125 20.568 -2.876 1.00 1.00 C ATOM 764 C ASP A 52 36.606 20.469 -2.911 1.00 1.00 C ATOM 765 O ASP A 52 35.907 21.383 -2.474 1.00 1.00 O ATOM 766 CB ASP A 52 38.686 20.398 -4.289 1.00 1.00 C ATOM 767 CG ASP A 52 40.182 20.694 -4.295 1.00 1.00 C ATOM 768 OD1 ASP A 52 40.645 21.323 -3.356 1.00 1.00 O ATOM 769 OD2 ASP A 52 40.843 20.287 -5.235 1.00 1.00 O ATOM 0 H ASP A 52 39.343 18.916 -2.426 1.00 1.00 H new ATOM 0 HA ASP A 52 38.411 21.549 -2.497 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.506 19.382 -4.641 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.171 21.069 -4.977 1.00 1.00 H new ATOM 774 N TYR A 53 36.100 19.364 -3.444 1.00 1.00 N ATOM 775 CA TYR A 53 34.661 19.179 -3.538 1.00 1.00 C ATOM 776 C TYR A 53 34.029 19.204 -2.153 1.00 1.00 C ATOM 777 O TYR A 53 33.026 19.885 -1.936 1.00 1.00 O ATOM 778 CB TYR A 53 34.346 17.841 -4.213 1.00 1.00 C ATOM 779 CG TYR A 53 34.647 17.927 -5.693 1.00 1.00 C ATOM 780 CD1 TYR A 53 33.749 18.577 -6.551 1.00 1.00 C ATOM 781 CD2 TYR A 53 35.817 17.355 -6.208 1.00 1.00 C ATOM 782 CE1 TYR A 53 34.023 18.655 -7.922 1.00 1.00 C ATOM 783 CE2 TYR A 53 36.089 17.434 -7.579 1.00 1.00 C ATOM 784 CZ TYR A 53 35.192 18.083 -8.436 1.00 1.00 C ATOM 785 OH TYR A 53 35.461 18.160 -9.787 1.00 1.00 O ATOM 0 H TYR A 53 36.657 18.593 -3.813 1.00 1.00 H new ATOM 0 HA TYR A 53 34.249 19.994 -4.133 1.00 1.00 H new ATOM 0 HB2 TYR A 53 34.938 17.046 -3.758 1.00 1.00 H new ATOM 0 HB3 TYR A 53 33.298 17.585 -4.061 1.00 1.00 H new ATOM 0 HD1 TYR A 53 32.846 19.018 -6.155 1.00 1.00 H new ATOM 0 HD2 TYR A 53 36.509 16.853 -5.548 1.00 1.00 H new ATOM 0 HE1 TYR A 53 33.332 19.157 -8.583 1.00 1.00 H new ATOM 0 HE2 TYR A 53 36.992 16.994 -7.976 1.00 1.00 H new ATOM 0 HH TYR A 53 36.312 17.714 -9.977 1.00 1.00 H new ATOM 795 N TRP A 54 34.612 18.471 -1.214 1.00 1.00 N ATOM 796 CA TRP A 54 34.077 18.441 0.137 1.00 1.00 C ATOM 797 C TRP A 54 34.014 19.855 0.705 1.00 1.00 C ATOM 798 O TRP A 54 32.946 20.339 1.079 1.00 1.00 O ATOM 799 CB TRP A 54 34.970 17.566 1.018 1.00 1.00 C ATOM 800 CG TRP A 54 34.390 17.465 2.386 1.00 1.00 C ATOM 801 CD1 TRP A 54 34.885 18.069 3.489 1.00 1.00 C ATOM 802 CD2 TRP A 54 33.219 16.716 2.815 1.00 1.00 C ATOM 803 NE1 TRP A 54 34.088 17.740 4.570 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.049 16.909 4.204 1.00 1.00 C ATOM 805 CE3 TRP A 54 32.299 15.898 2.137 1.00 1.00 C ATOM 806 CZ2 TRP A 54 31.999 16.310 4.900 1.00 1.00 C ATOM 807 CZ3 TRP A 54 31.241 15.293 2.834 1.00 1.00 C ATOM 808 CH2 TRP A 54 31.092 15.499 4.211 1.00 1.00 C ATOM 0 H TRP A 54 35.443 17.898 -1.361 1.00 1.00 H new ATOM 0 HA TRP A 54 33.070 18.025 0.116 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.066 16.572 0.580 1.00 1.00 H new ATOM 0 HB3 TRP A 54 35.973 17.990 1.069 1.00 1.00 H new ATOM 0 HD1 TRP A 54 35.758 18.704 3.521 1.00 1.00 H new ATOM 0 HE1 TRP A 54 34.248 18.071 5.521 1.00 1.00 H new ATOM 0 HE3 TRP A 54 32.406 15.734 1.075 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 31.888 16.471 5.962 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 30.539 14.666 2.305 1.00 1.00 H new ATOM 0 HH2 TRP A 54 30.276 15.031 4.741 1.00 1.00 H new ATOM 819 N SER A 55 35.167 20.514 0.762 1.00 1.00 N ATOM 820 CA SER A 55 35.229 21.873 1.284 1.00 1.00 C ATOM 821 C SER A 55 34.161 22.738 0.625 1.00 1.00 C ATOM 822 O SER A 55 33.563 23.602 1.267 1.00 1.00 O ATOM 823 CB SER A 55 36.613 22.478 1.035 1.00 1.00 C ATOM 824 OG SER A 55 37.598 21.682 1.686 1.00 1.00 O ATOM 0 H SER A 55 36.062 20.133 0.456 1.00 1.00 H new ATOM 0 HA SER A 55 35.048 21.839 2.358 1.00 1.00 H new ATOM 0 HB2 SER A 55 36.815 22.524 -0.035 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.649 23.501 1.411 1.00 1.00 H new ATOM 0 HG SER A 55 37.855 20.938 1.103 1.00 1.00 H new ATOM 830 N THR A 56 33.918 22.485 -0.655 1.00 1.00 N ATOM 831 CA THR A 56 32.899 23.239 -1.380 1.00 1.00 C ATOM 832 C THR A 56 31.501 22.773 -0.976 1.00 1.00 C ATOM 833 O THR A 56 30.801 23.454 -0.226 1.00 1.00 O ATOM 834 CB THR A 56 33.090 23.054 -2.883 1.00 1.00 C ATOM 835 OG1 THR A 56 34.358 23.570 -3.259 1.00 1.00 O ATOM 836 CG2 THR A 56 31.989 23.801 -3.635 1.00 1.00 C ATOM 0 H THR A 56 34.402 21.776 -1.206 1.00 1.00 H new ATOM 0 HA THR A 56 33.002 24.295 -1.129 1.00 1.00 H new ATOM 0 HB THR A 56 33.038 21.994 -3.131 1.00 1.00 H new ATOM 0 HG1 THR A 56 35.054 22.913 -3.048 1.00 1.00 H new ATOM 0 HG21 THR A 56 32.127 23.668 -4.708 1.00 1.00 H new ATOM 0 HG22 THR A 56 31.016 23.406 -3.342 1.00 1.00 H new ATOM 0 HG23 THR A 56 32.038 24.862 -3.392 1.00 1.00 H new ATOM 844 N VAL A 57 31.095 21.610 -1.497 1.00 1.00 N ATOM 845 CA VAL A 57 29.767 21.060 -1.204 1.00 1.00 C ATOM 846 C VAL A 57 29.392 21.312 0.252 1.00 1.00 C ATOM 847 O VAL A 57 28.439 22.036 0.540 1.00 1.00 O ATOM 848 CB VAL A 57 29.748 19.553 -1.484 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.397 18.965 -1.061 1.00 1.00 C ATOM 850 CG2 VAL A 57 29.962 19.307 -2.980 1.00 1.00 C ATOM 0 H VAL A 57 31.662 21.035 -2.119 1.00 1.00 H new ATOM 0 HA VAL A 57 29.041 21.557 -1.847 1.00 1.00 H new ATOM 0 HB VAL A 57 30.546 19.073 -0.917 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.388 17.894 -1.262 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.243 19.136 0.004 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.598 19.447 -1.625 1.00 1.00 H new ATOM 0 HG21 VAL A 57 29.948 18.235 -3.178 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.166 19.791 -3.546 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.924 19.720 -3.283 1.00 1.00 H new ATOM 860 N LYS A 58 30.152 20.716 1.167 1.00 1.00 N ATOM 861 CA LYS A 58 29.895 20.891 2.591 1.00 1.00 C ATOM 862 C LYS A 58 29.541 22.344 2.898 1.00 1.00 C ATOM 863 O LYS A 58 28.436 22.644 3.343 1.00 1.00 O ATOM 864 CB LYS A 58 31.137 20.491 3.389 1.00 1.00 C ATOM 865 CG LYS A 58 30.835 20.579 4.886 1.00 1.00 C ATOM 866 CD LYS A 58 32.053 20.105 5.681 1.00 1.00 C ATOM 867 CE LYS A 58 31.739 20.164 7.176 1.00 1.00 C ATOM 868 NZ LYS A 58 31.480 21.576 7.573 1.00 1.00 N ATOM 0 H LYS A 58 30.945 20.112 0.949 1.00 1.00 H new ATOM 0 HA LYS A 58 29.054 20.257 2.873 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.439 19.477 3.128 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.971 21.146 3.137 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.587 21.605 5.158 1.00 1.00 H new ATOM 0 HG3 LYS A 58 29.967 19.966 5.129 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.315 19.087 5.393 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.915 20.732 5.454 1.00 1.00 H new ATOM 0 HE2 LYS A 58 30.869 19.546 7.401 1.00 1.00 H new ATOM 0 HE3 LYS A 58 32.573 19.761 7.750 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 31.585 21.672 8.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 32.161 22.201 7.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 30.513 21.842 7.297 1.00 1.00 H new ATOM 882 N ASP A 59 30.490 23.241 2.658 1.00 1.00 N ATOM 883 CA ASP A 59 30.261 24.655 2.917 1.00 1.00 C ATOM 884 C ASP A 59 29.077 25.158 2.102 1.00 1.00 C ATOM 885 O ASP A 59 28.211 25.864 2.622 1.00 1.00 O ATOM 886 CB ASP A 59 31.513 25.462 2.560 1.00 1.00 C ATOM 887 CG ASP A 59 31.265 26.950 2.793 1.00 1.00 C ATOM 888 OD1 ASP A 59 31.127 27.335 3.942 1.00 1.00 O ATOM 889 OD2 ASP A 59 31.220 27.681 1.818 1.00 1.00 O ATOM 0 H ASP A 59 31.414 23.017 2.289 1.00 1.00 H new ATOM 0 HA ASP A 59 30.040 24.783 3.977 1.00 1.00 H new ATOM 0 HB2 ASP A 59 32.355 25.127 3.165 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.781 25.289 1.518 1.00 1.00 H new ATOM 894 N LYS A 60 29.053 24.814 0.821 1.00 1.00 N ATOM 895 CA LYS A 60 27.981 25.257 -0.057 1.00 1.00 C ATOM 896 C LYS A 60 26.650 24.656 0.355 1.00 1.00 C ATOM 897 O LYS A 60 25.597 25.058 -0.136 1.00 1.00 O ATOM 898 CB LYS A 60 28.324 24.848 -1.497 1.00 1.00 C ATOM 899 CG LYS A 60 27.351 25.489 -2.487 1.00 1.00 C ATOM 900 CD LYS A 60 27.800 25.176 -3.920 1.00 1.00 C ATOM 901 CE LYS A 60 26.847 25.849 -4.906 1.00 1.00 C ATOM 902 NZ LYS A 60 25.511 25.192 -4.830 1.00 1.00 N ATOM 0 H LYS A 60 29.760 24.233 0.370 1.00 1.00 H new ATOM 0 HA LYS A 60 27.888 26.341 0.013 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.344 25.152 -1.733 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.284 23.763 -1.591 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.343 25.110 -2.319 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.316 26.567 -2.333 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.818 25.531 -4.080 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.809 24.098 -4.083 1.00 1.00 H new ATOM 0 HE2 LYS A 60 26.756 26.910 -4.674 1.00 1.00 H new ATOM 0 HE3 LYS A 60 27.243 25.776 -5.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 24.955 25.437 -5.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 25.634 24.160 -4.783 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 25.011 25.520 -3.979 1.00 1.00 H new ATOM 916 N PHE A 61 26.696 23.704 1.264 1.00 1.00 N ATOM 917 CA PHE A 61 25.472 23.083 1.728 1.00 1.00 C ATOM 918 C PHE A 61 24.629 24.120 2.463 1.00 1.00 C ATOM 919 O PHE A 61 23.415 23.969 2.596 1.00 1.00 O ATOM 920 CB PHE A 61 25.801 21.924 2.669 1.00 1.00 C ATOM 921 CG PHE A 61 24.566 21.085 2.895 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.155 20.172 1.916 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.835 21.216 4.081 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.013 19.390 2.124 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.693 20.435 4.289 1.00 1.00 C ATOM 926 CZ PHE A 61 22.282 19.521 3.311 1.00 1.00 C ATOM 0 H PHE A 61 27.551 23.348 1.690 1.00 1.00 H new ATOM 0 HA PHE A 61 24.915 22.698 0.874 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.595 21.311 2.243 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.170 22.308 3.620 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.719 20.071 1.001 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.152 21.920 4.836 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.696 18.686 1.369 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.128 20.537 5.204 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.401 18.917 3.472 1.00 1.00 H new ATOM 936 N SER A 62 25.287 25.185 2.926 1.00 1.00 N ATOM 937 CA SER A 62 24.576 26.249 3.633 1.00 1.00 C ATOM 938 C SER A 62 23.721 27.076 2.676 1.00 1.00 C ATOM 939 O SER A 62 22.521 27.254 2.890 1.00 1.00 O ATOM 940 CB SER A 62 25.562 27.158 4.363 1.00 1.00 C ATOM 941 OG SER A 62 26.252 26.401 5.350 1.00 1.00 O ATOM 0 H SER A 62 26.291 25.332 2.827 1.00 1.00 H new ATOM 0 HA SER A 62 23.917 25.777 4.362 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.271 27.588 3.656 1.00 1.00 H new ATOM 0 HB3 SER A 62 25.033 27.989 4.829 1.00 1.00 H new ATOM 0 HG SER A 62 26.888 26.980 5.821 1.00 1.00 H new ATOM 947 N GLU A 63 24.363 27.597 1.630 1.00 1.00 N ATOM 948 CA GLU A 63 23.672 28.426 0.646 1.00 1.00 C ATOM 949 C GLU A 63 22.803 27.582 -0.273 1.00 1.00 C ATOM 950 O GLU A 63 21.765 28.038 -0.753 1.00 1.00 O ATOM 951 CB GLU A 63 24.690 29.210 -0.182 1.00 1.00 C ATOM 952 CG GLU A 63 25.524 28.243 -1.022 1.00 1.00 C ATOM 953 CD GLU A 63 26.645 29.001 -1.724 1.00 1.00 C ATOM 954 OE1 GLU A 63 27.294 29.798 -1.067 1.00 1.00 O ATOM 955 OE2 GLU A 63 26.837 28.776 -2.906 1.00 1.00 O ATOM 0 H GLU A 63 25.356 27.460 1.444 1.00 1.00 H new ATOM 0 HA GLU A 63 23.026 29.120 1.184 1.00 1.00 H new ATOM 0 HB2 GLU A 63 24.177 29.920 -0.830 1.00 1.00 H new ATOM 0 HB3 GLU A 63 25.339 29.789 0.475 1.00 1.00 H new ATOM 0 HG2 GLU A 63 25.943 27.463 -0.386 1.00 1.00 H new ATOM 0 HG3 GLU A 63 24.891 27.748 -1.758 1.00 1.00 H new ATOM 962 N PHE A 64 23.244 26.359 -0.540 1.00 1.00 N ATOM 963 CA PHE A 64 22.507 25.480 -1.434 1.00 1.00 C ATOM 964 C PHE A 64 21.078 25.294 -0.942 1.00 1.00 C ATOM 965 O PHE A 64 20.261 24.656 -1.607 1.00 1.00 O ATOM 966 CB PHE A 64 23.209 24.119 -1.500 1.00 1.00 C ATOM 967 CG PHE A 64 22.425 23.180 -2.387 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.379 23.403 -3.768 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.743 22.088 -1.833 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.653 22.537 -4.594 1.00 1.00 C ATOM 971 CE2 PHE A 64 21.016 21.222 -2.659 1.00 1.00 C ATOM 972 CZ PHE A 64 20.972 21.447 -4.040 1.00 1.00 C ATOM 0 H PHE A 64 24.099 25.958 -0.154 1.00 1.00 H new ATOM 0 HA PHE A 64 22.478 25.930 -2.426 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.221 24.240 -1.887 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.299 23.697 -0.499 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.904 24.244 -4.197 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.778 21.914 -0.768 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.618 22.710 -5.659 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.490 20.381 -2.231 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.412 20.779 -4.678 1.00 1.00 H new ATOM 982 N TRP A 65 20.772 25.872 0.217 1.00 1.00 N ATOM 983 CA TRP A 65 19.425 25.771 0.761 1.00 1.00 C ATOM 984 C TRP A 65 18.488 26.766 0.062 1.00 1.00 C ATOM 985 O TRP A 65 17.423 26.391 -0.430 1.00 1.00 O ATOM 986 CB TRP A 65 19.468 26.065 2.263 1.00 1.00 C ATOM 987 CG TRP A 65 18.111 25.871 2.847 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.309 26.862 3.291 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.386 24.627 3.059 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.134 26.307 3.761 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.134 24.931 3.640 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.692 23.277 2.805 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.214 23.932 3.957 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.768 22.269 3.124 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.532 22.596 3.698 1.00 1.00 C ATOM 0 H TRP A 65 21.427 26.406 0.788 1.00 1.00 H new ATOM 0 HA TRP A 65 19.045 24.763 0.593 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.184 25.405 2.753 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.807 27.087 2.435 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.547 27.915 3.281 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.361 26.847 4.150 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.642 23.015 2.363 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.263 24.189 4.399 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 17.011 21.236 2.926 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.826 21.816 3.940 1.00 1.00 H new ATOM 1006 N ASP A 66 18.911 28.031 0.009 1.00 1.00 N ATOM 1007 CA ASP A 66 18.132 29.089 -0.647 1.00 1.00 C ATOM 1008 C ASP A 66 18.466 29.155 -2.130 1.00 1.00 C ATOM 1009 O ASP A 66 19.598 29.451 -2.515 1.00 1.00 O ATOM 1010 CB ASP A 66 18.427 30.440 0.012 1.00 1.00 C ATOM 1011 CG ASP A 66 17.819 30.484 1.411 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.970 29.654 1.693 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.214 31.344 2.180 1.00 1.00 O ATOM 0 H ASP A 66 19.791 28.350 0.413 1.00 1.00 H new ATOM 0 HA ASP A 66 17.072 28.859 -0.537 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.504 30.598 0.070 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.019 31.247 -0.596 1.00 1.00 H new ATOM 1018 N LEU A 67 17.464 28.886 -2.949 1.00 1.00 N ATOM 1019 CA LEU A 67 17.611 28.917 -4.397 1.00 1.00 C ATOM 1020 C LEU A 67 17.326 30.318 -4.918 1.00 1.00 C ATOM 1021 O LEU A 67 17.176 31.264 -4.143 1.00 1.00 O ATOM 1022 CB LEU A 67 16.674 27.898 -5.057 1.00 1.00 C ATOM 1023 CG LEU A 67 17.270 26.482 -4.939 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.540 26.344 -5.812 1.00 1.00 C ATOM 1025 CD2 LEU A 67 17.608 26.201 -3.468 1.00 1.00 C ATOM 0 H LEU A 67 16.526 28.640 -2.631 1.00 1.00 H new ATOM 0 HA LEU A 67 18.637 28.649 -4.650 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.694 27.930 -4.580 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.526 28.153 -6.106 1.00 1.00 H new ATOM 0 HG LEU A 67 16.537 25.758 -5.294 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.942 25.336 -5.712 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.286 26.532 -6.855 1.00 1.00 H new ATOM 0 HD13 LEU A 67 19.287 27.067 -5.484 1.00 1.00 H new ATOM 0 HD21 LEU A 67 18.030 25.200 -3.376 1.00 1.00 H new ATOM 0 HD22 LEU A 67 18.333 26.935 -3.115 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.701 26.268 -2.867 1.00 1.00 H new ATOM 1037 N ASP A 68 17.291 30.451 -6.233 1.00 1.00 N ATOM 1038 CA ASP A 68 17.075 31.746 -6.852 1.00 1.00 C ATOM 1039 C ASP A 68 15.775 32.352 -6.325 1.00 1.00 C ATOM 1040 O ASP A 68 14.976 31.667 -5.689 1.00 1.00 O ATOM 1041 CB ASP A 68 17.007 31.560 -8.399 1.00 1.00 C ATOM 1042 CG ASP A 68 16.969 30.074 -8.774 1.00 1.00 C ATOM 1043 OD1 ASP A 68 15.880 29.521 -8.832 1.00 1.00 O ATOM 1044 OD2 ASP A 68 18.028 29.513 -9.006 1.00 1.00 O ATOM 0 H ASP A 68 17.409 29.680 -6.890 1.00 1.00 H new ATOM 0 HA ASP A 68 17.895 32.422 -6.609 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.121 32.060 -8.790 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.872 32.034 -8.864 1.00 1.00 H new ATOM 1049 N PRO A 69 15.562 33.623 -6.551 1.00 1.00 N ATOM 1050 CA PRO A 69 14.345 34.322 -6.058 1.00 1.00 C ATOM 1051 C PRO A 69 13.075 33.511 -6.331 1.00 1.00 C ATOM 1052 O PRO A 69 12.018 33.796 -5.764 1.00 1.00 O ATOM 1053 CB PRO A 69 14.336 35.665 -6.843 1.00 1.00 C ATOM 1054 CG PRO A 69 15.541 35.647 -7.753 1.00 1.00 C ATOM 1055 CD PRO A 69 16.468 34.546 -7.248 1.00 1.00 C ATOM 0 HA PRO A 69 14.363 34.467 -4.978 1.00 1.00 H new ATOM 0 HB2 PRO A 69 13.417 35.769 -7.420 1.00 1.00 H new ATOM 0 HB3 PRO A 69 14.381 36.513 -6.159 1.00 1.00 H new ATOM 0 HG2 PRO A 69 15.242 35.456 -8.784 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.047 36.612 -7.741 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.989 34.053 -8.069 1.00 1.00 H new ATOM 0 HD3 PRO A 69 17.231 34.941 -6.578 1.00 1.00 H new ATOM 1063 N GLU A 70 13.189 32.487 -7.173 1.00 1.00 N ATOM 1064 CA GLU A 70 12.050 31.625 -7.477 1.00 1.00 C ATOM 1065 C GLU A 70 12.427 30.168 -7.241 1.00 1.00 C ATOM 1066 O GLU A 70 13.194 29.581 -8.002 1.00 1.00 O ATOM 1067 CB GLU A 70 11.621 31.833 -8.935 1.00 1.00 C ATOM 1068 CG GLU A 70 12.862 32.002 -9.819 1.00 1.00 C ATOM 1069 CD GLU A 70 12.452 32.035 -11.288 1.00 1.00 C ATOM 1070 OE1 GLU A 70 11.500 31.353 -11.633 1.00 1.00 O ATOM 1071 OE2 GLU A 70 13.097 32.739 -12.047 1.00 1.00 O ATOM 0 H GLU A 70 14.052 32.235 -7.654 1.00 1.00 H new ATOM 0 HA GLU A 70 11.217 31.882 -6.823 1.00 1.00 H new ATOM 0 HB2 GLU A 70 11.033 30.981 -9.276 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.983 32.713 -9.015 1.00 1.00 H new ATOM 0 HG2 GLU A 70 13.383 32.923 -9.557 1.00 1.00 H new ATOM 0 HG3 GLU A 70 13.558 31.181 -9.645 1.00 1.00 H new ATOM 1078 N VAL A 71 11.860 29.579 -6.190 1.00 1.00 N ATOM 1079 CA VAL A 71 12.131 28.183 -5.898 1.00 1.00 C ATOM 1080 C VAL A 71 11.011 27.335 -6.470 1.00 1.00 C ATOM 1081 O VAL A 71 10.023 27.052 -5.792 1.00 1.00 O ATOM 1082 CB VAL A 71 12.186 27.980 -4.380 1.00 1.00 C ATOM 1083 CG1 VAL A 71 12.821 26.622 -4.065 1.00 1.00 C ATOM 1084 CG2 VAL A 71 13.006 29.109 -3.746 1.00 1.00 C ATOM 0 H VAL A 71 11.223 30.040 -5.541 1.00 1.00 H new ATOM 0 HA VAL A 71 13.084 27.893 -6.340 1.00 1.00 H new ATOM 0 HB VAL A 71 11.176 27.999 -3.970 1.00 1.00 H new ATOM 0 HG11 VAL A 71 12.859 26.480 -2.985 1.00 1.00 H new ATOM 0 HG12 VAL A 71 12.224 25.828 -4.515 1.00 1.00 H new ATOM 0 HG13 VAL A 71 13.832 26.590 -4.471 1.00 1.00 H new ATOM 0 HG21 VAL A 71 13.047 28.967 -2.666 1.00 1.00 H new ATOM 0 HG22 VAL A 71 14.017 29.096 -4.152 1.00 1.00 H new ATOM 0 HG23 VAL A 71 12.538 30.068 -3.968 1.00 1.00 H new ATOM 1094 N ARG A 72 11.181 26.913 -7.723 1.00 1.00 N ATOM 1095 CA ARG A 72 10.184 26.070 -8.385 1.00 1.00 C ATOM 1096 C ARG A 72 10.828 24.806 -8.963 1.00 1.00 C ATOM 1097 O ARG A 72 11.886 24.887 -9.593 1.00 1.00 O ATOM 1098 CB ARG A 72 9.462 26.852 -9.487 1.00 1.00 C ATOM 1099 CG ARG A 72 8.538 27.892 -8.842 1.00 1.00 C ATOM 1100 CD ARG A 72 7.701 28.573 -9.918 1.00 1.00 C ATOM 1101 NE ARG A 72 8.569 29.162 -10.924 1.00 1.00 N ATOM 1102 CZ ARG A 72 8.079 29.947 -11.871 1.00 1.00 C ATOM 1103 NH1 ARG A 72 6.811 30.257 -11.868 1.00 1.00 N ATOM 1104 NH2 ARG A 72 8.863 30.409 -12.804 1.00 1.00 N ATOM 0 H ARG A 72 11.993 27.139 -8.297 1.00 1.00 H new ATOM 0 HA ARG A 72 9.452 25.767 -7.637 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.187 27.344 -10.135 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.884 26.172 -10.113 1.00 1.00 H new ATOM 0 HG2 ARG A 72 7.887 27.411 -8.112 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.129 28.633 -8.304 1.00 1.00 H new ATOM 0 HD2 ARG A 72 7.032 27.849 -10.382 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.075 29.344 -9.469 1.00 1.00 H new ATOM 0 HE ARG A 72 9.570 28.968 -10.900 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.199 29.895 -11.137 1.00 1.00 H new ATOM 0 HH12 ARG A 72 6.432 30.862 -12.597 1.00 1.00 H new ATOM 0 HH21 ARG A 72 9.854 30.166 -12.804 1.00 1.00 H new ATOM 0 HH22 ARG A 72 8.486 31.014 -13.534 1.00 1.00 H new ATOM 1118 N PRO A 73 10.227 23.645 -8.793 1.00 1.00 N ATOM 1119 CA PRO A 73 10.794 22.382 -9.350 1.00 1.00 C ATOM 1120 C PRO A 73 10.961 22.472 -10.872 1.00 1.00 C ATOM 1121 O PRO A 73 11.700 21.687 -11.466 1.00 1.00 O ATOM 1122 CB PRO A 73 9.759 21.280 -9.001 1.00 1.00 C ATOM 1123 CG PRO A 73 8.604 21.950 -8.308 1.00 1.00 C ATOM 1124 CD PRO A 73 8.980 23.406 -8.040 1.00 1.00 C ATOM 0 HA PRO A 73 11.781 22.177 -8.935 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.422 20.771 -9.904 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.207 20.523 -8.357 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.708 21.898 -8.927 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.375 21.439 -7.373 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.190 24.081 -8.369 1.00 1.00 H new ATOM 0 HD3 PRO A 73 9.127 23.582 -6.974 1.00 1.00 H new ATOM 1132 N THR A 74 10.243 23.409 -11.493 1.00 1.00 N ATOM 1133 CA THR A 74 10.304 23.562 -12.949 1.00 1.00 C ATOM 1134 C THR A 74 11.536 24.338 -13.372 1.00 1.00 C ATOM 1135 O THR A 74 12.396 23.820 -14.081 1.00 1.00 O ATOM 1136 CB THR A 74 9.046 24.270 -13.461 1.00 1.00 C ATOM 1137 OG1 THR A 74 8.995 25.586 -12.929 1.00 1.00 O ATOM 1138 CG2 THR A 74 7.801 23.492 -13.023 1.00 1.00 C ATOM 0 H THR A 74 9.621 24.065 -11.020 1.00 1.00 H new ATOM 0 HA THR A 74 10.362 22.565 -13.385 1.00 1.00 H new ATOM 0 HB THR A 74 9.076 24.318 -14.550 1.00 1.00 H new ATOM 0 HG1 THR A 74 9.313 26.223 -13.602 1.00 1.00 H new ATOM 0 HG21 THR A 74 6.908 23.999 -13.389 1.00 1.00 H new ATOM 0 HG22 THR A 74 7.840 22.483 -13.433 1.00 1.00 H new ATOM 0 HG23 THR A 74 7.768 23.440 -11.935 1.00 1.00 H new ATOM 1146 N SER A 75 11.600 25.588 -12.969 1.00 1.00 N ATOM 1147 CA SER A 75 12.719 26.431 -13.343 1.00 1.00 C ATOM 1148 C SER A 75 14.033 25.824 -12.860 1.00 1.00 C ATOM 1149 O SER A 75 15.049 25.900 -13.551 1.00 1.00 O ATOM 1150 CB SER A 75 12.544 27.817 -12.725 1.00 1.00 C ATOM 1151 OG SER A 75 11.462 28.486 -13.365 1.00 1.00 O ATOM 0 H SER A 75 10.897 26.043 -12.386 1.00 1.00 H new ATOM 0 HA SER A 75 12.747 26.511 -14.430 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.351 27.729 -11.656 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.461 28.396 -12.836 1.00 1.00 H new ATOM 0 HG SER A 75 11.629 29.452 -13.366 1.00 1.00 H new ATOM 1157 N ALA A 76 14.013 25.232 -11.670 1.00 1.00 N ATOM 1158 CA ALA A 76 15.221 24.631 -11.108 1.00 1.00 C ATOM 1159 C ALA A 76 15.824 23.584 -12.045 1.00 1.00 C ATOM 1160 O ALA A 76 16.931 23.760 -12.552 1.00 1.00 O ATOM 1161 CB ALA A 76 14.903 23.984 -9.761 1.00 1.00 C ATOM 0 H ALA A 76 13.184 25.155 -11.080 1.00 1.00 H new ATOM 0 HA ALA A 76 15.953 25.428 -10.976 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.808 23.538 -9.349 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.526 24.741 -9.074 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.148 23.210 -9.898 1.00 1.00 H new ATOM 1167 N VAL A 77 15.103 22.485 -12.255 1.00 1.00 N ATOM 1168 CA VAL A 77 15.613 21.421 -13.113 1.00 1.00 C ATOM 1169 C VAL A 77 15.864 21.954 -14.519 1.00 1.00 C ATOM 1170 O VAL A 77 16.936 21.746 -15.086 1.00 1.00 O ATOM 1171 CB VAL A 77 14.609 20.262 -13.170 1.00 1.00 C ATOM 1172 CG1 VAL A 77 14.365 19.726 -11.757 1.00 1.00 C ATOM 1173 CG2 VAL A 77 13.284 20.757 -13.763 1.00 1.00 C ATOM 0 H VAL A 77 14.183 22.310 -11.852 1.00 1.00 H new ATOM 0 HA VAL A 77 16.553 21.058 -12.697 1.00 1.00 H new ATOM 0 HB VAL A 77 15.012 19.467 -13.797 1.00 1.00 H new ATOM 0 HG11 VAL A 77 13.652 18.903 -11.798 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.305 19.371 -11.335 1.00 1.00 H new ATOM 0 HG13 VAL A 77 13.964 20.522 -11.130 1.00 1.00 H new ATOM 0 HG21 VAL A 77 12.572 19.932 -13.803 1.00 1.00 H new ATOM 0 HG22 VAL A 77 12.881 21.554 -13.138 1.00 1.00 H new ATOM 0 HG23 VAL A 77 13.456 21.137 -14.770 1.00 1.00 H new ATOM 1183 N ALA A 78 14.884 22.658 -15.071 1.00 1.00 N ATOM 1184 CA ALA A 78 15.029 23.234 -16.403 1.00 1.00 C ATOM 1185 C ALA A 78 16.046 24.373 -16.384 1.00 1.00 C ATOM 1186 O ALA A 78 16.435 24.892 -17.430 1.00 1.00 O ATOM 1187 CB ALA A 78 13.678 23.754 -16.893 1.00 1.00 C ATOM 0 H ALA A 78 13.987 22.843 -14.622 1.00 1.00 H new ATOM 0 HA ALA A 78 15.385 22.459 -17.082 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.793 24.183 -17.888 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.964 22.931 -16.932 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.312 24.519 -16.208 1.00 1.00 H new ATOM 1193 N ALA A 79 16.464 24.757 -15.181 1.00 1.00 N ATOM 1194 CA ALA A 79 17.430 25.839 -15.024 1.00 1.00 C ATOM 1195 C ALA A 79 17.765 26.055 -13.549 1.00 1.00 C ATOM 1196 O ALA A 79 17.122 26.888 -12.931 1.00 1.00 O ATOM 1197 CB ALA A 79 16.861 27.131 -15.618 1.00 1.00 C ATOM 1198 OXT ALA A 79 18.663 25.389 -13.063 1.00 1.00 O ATOM 0 H ALA A 79 16.151 24.338 -14.306 1.00 1.00 H new ATOM 0 HA ALA A 79 18.344 25.566 -15.551 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.586 27.936 -15.499 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.654 26.984 -16.678 1.00 1.00 H new ATOM 0 HB3 ALA A 79 15.938 27.394 -15.101 1.00 1.00 H new