USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 913 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 10 MET CE :methyl -145:sc= -0.0839 (180deg=0) USER MOD Set 1.2: A 69 GLN : amide:sc= -1.1 X(o=-1.2,f=-1.2) USER MOD Set 2.1: A 35 ASN : amide:sc= -4.29! C(o=-4.1!,f=-7!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= 0.168 K(o=-4.1,f=-7.1) USER MOD Set 3.1: A 32 THR OG1 : rot 132:sc= 0.0541 USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0.0979 USER MOD Set 4.1: A 23 CYS SG : rot 146:sc= -0.352 USER MOD Set 4.2: A 26 CYS SG : rot -39:sc= -0.093 USER MOD Set 4.3: A 43 CYS SG : rot -128:sc= 1.21 USER MOD Set 4.4: A 46 CYS SG : rot 149:sc= -2.24 USER MOD Set 5.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 19 HIS : no HE2:sc= -9.45! C(o=-15!,f=-16!) USER MOD Set 6.2: A 20 ASN : amide:sc= -5.34! C(o=-15!,f=-13!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -158:sc= -1.71 (180deg=-2.57) USER MOD Single : A 15 THR OG1 : rot -49:sc= 1.12 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.377 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -28:sc= -0.421 USER MOD Single : A 49 SER OG : rot 68:sc= 0.217 USER MOD Single : A 54 ASN : amide:sc= -1.37 K(o=-1.4,f=-9.9!) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.2) USER MOD Single : A 61 SER OG : rot 7:sc= -0.187 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 70 GLN : amide:sc= -0.045 K(o=-0.045,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= -0.837 K(o=-0.84,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.00321 X(o=0.0032,f=-0.067) USER MOD Single : A 80 ASN : amide:sc= -1.68 K(o=-1.7,f=-7.3!) USER MOD Single : A 83 CYS SG : rot -154:sc= -0.325 USER MOD Single : A 85 GLN : amide:sc= 0.678 K(o=0.68,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.545 K(o=-0.55,f=-1.6) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0848 K(o=-0.085,f=-1.3!) USER MOD Single : A 114 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.181) USER MOD Single : A 115 TYR OH : rot 101:sc= 0.0199 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 123:sc= 1.42 (180deg=0.0251) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -4.46! C(o=-4.5!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.014 -20.003 5.341 1.00 0.00 N ATOM 60 CA GLY A 7 3.391 -18.707 5.148 1.00 0.00 C ATOM 61 C GLY A 7 2.810 -18.146 6.431 1.00 0.00 C ATOM 62 O GLY A 7 3.041 -16.985 6.771 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.128 -18.009 4.751 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.600 -18.795 4.403 1.00 0.00 H new ATOM 66 N LEU A 8 2.052 -18.971 7.145 1.00 0.00 N ATOM 67 CA LEU A 8 1.434 -18.550 8.398 1.00 0.00 C ATOM 68 C LEU A 8 2.467 -17.932 9.335 1.00 0.00 C ATOM 69 O LEU A 8 2.283 -16.822 9.833 1.00 0.00 O ATOM 70 CB LEU A 8 0.757 -19.741 9.081 1.00 0.00 C ATOM 71 CG LEU A 8 -0.671 -20.051 8.629 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.592 -18.879 8.930 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.700 -20.387 7.146 1.00 0.00 C ATOM 0 H LEU A 8 1.851 -19.935 6.878 1.00 0.00 H new ATOM 0 HA LEU A 8 0.682 -17.795 8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.370 -20.627 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.745 -19.559 10.156 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.027 -20.919 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.604 -19.118 8.602 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.595 -18.685 10.003 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.238 -17.993 8.402 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.724 -20.605 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.324 -19.539 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.073 -21.258 6.958 1.00 0.00 H new ATOM 85 N LYS A 9 3.555 -18.658 9.568 1.00 0.00 N ATOM 86 CA LYS A 9 4.620 -18.181 10.442 1.00 0.00 C ATOM 87 C LYS A 9 4.906 -16.703 10.195 1.00 0.00 C ATOM 88 O LYS A 9 4.827 -15.885 11.111 1.00 0.00 O ATOM 89 CB LYS A 9 5.894 -19.001 10.222 1.00 0.00 C ATOM 90 CG LYS A 9 6.980 -18.724 11.247 1.00 0.00 C ATOM 91 CD LYS A 9 6.613 -19.280 12.612 1.00 0.00 C ATOM 92 CE LYS A 9 7.604 -18.840 13.678 1.00 0.00 C ATOM 93 NZ LYS A 9 7.082 -19.077 15.053 1.00 0.00 N ATOM 0 H LYS A 9 3.722 -19.579 9.164 1.00 0.00 H new ATOM 0 HA LYS A 9 4.290 -18.302 11.474 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.643 -20.061 10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.284 -18.791 9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.918 -19.167 10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.144 -17.649 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.612 -18.946 12.885 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.585 -20.369 12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.542 -19.380 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.827 -17.780 13.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.787 -18.764 15.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.201 -18.541 15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.894 -20.092 15.183 1.00 0.00 H new ATOM 107 N MET A 10 5.236 -16.369 8.952 1.00 0.00 N ATOM 108 CA MET A 10 5.530 -14.988 8.585 1.00 0.00 C ATOM 109 C MET A 10 4.292 -14.110 8.736 1.00 0.00 C ATOM 110 O MET A 10 4.381 -12.965 9.181 1.00 0.00 O ATOM 111 CB MET A 10 6.046 -14.919 7.147 1.00 0.00 C ATOM 112 CG MET A 10 7.508 -15.310 7.006 1.00 0.00 C ATOM 113 SD MET A 10 8.092 -15.216 5.303 1.00 0.00 S ATOM 114 CE MET A 10 8.780 -16.855 5.089 1.00 0.00 C ATOM 0 H MET A 10 5.307 -17.035 8.182 1.00 0.00 H new ATOM 0 HA MET A 10 6.302 -14.616 9.259 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.441 -15.575 6.521 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.912 -13.905 6.770 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.117 -14.657 7.631 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.646 -16.325 7.378 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.658 -16.800 4.445 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.067 -17.259 6.060 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.035 -17.506 4.631 1.00 0.00 H new ATOM 124 N LEU A 11 3.138 -14.653 8.364 1.00 0.00 N ATOM 125 CA LEU A 11 1.881 -13.918 8.458 1.00 0.00 C ATOM 126 C LEU A 11 1.863 -13.027 9.696 1.00 0.00 C ATOM 127 O LEU A 11 1.681 -11.814 9.597 1.00 0.00 O ATOM 128 CB LEU A 11 0.701 -14.891 8.497 1.00 0.00 C ATOM 129 CG LEU A 11 -0.626 -14.358 7.955 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.293 -13.448 8.975 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.408 -13.621 6.642 1.00 0.00 C ATOM 0 H LEU A 11 3.046 -15.599 7.995 1.00 0.00 H new ATOM 0 HA LEU A 11 1.792 -13.284 7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.971 -15.781 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.549 -15.205 9.530 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.286 -15.205 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.236 -13.079 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.485 -14.007 9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.637 -12.605 9.195 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.363 -13.249 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.270 -12.783 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.025 -14.303 5.910 1.00 0.00 H new ATOM 143 N ARG A 12 2.053 -13.638 10.861 1.00 0.00 N ATOM 144 CA ARG A 12 2.059 -12.901 12.118 1.00 0.00 C ATOM 145 C ARG A 12 3.187 -11.873 12.141 1.00 0.00 C ATOM 146 O ARG A 12 3.016 -10.760 12.638 1.00 0.00 O ATOM 147 CB ARG A 12 2.207 -13.863 13.298 1.00 0.00 C ATOM 148 CG ARG A 12 2.438 -13.165 14.628 1.00 0.00 C ATOM 149 CD ARG A 12 1.126 -12.876 15.341 1.00 0.00 C ATOM 150 NE ARG A 12 0.561 -14.075 15.955 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.724 -14.206 16.264 1.00 0.00 C ATOM 152 NH1 ARG A 12 -1.573 -13.218 16.018 1.00 0.00 N ATOM 153 NH2 ARG A 12 -1.162 -15.328 16.821 1.00 0.00 N ATOM 0 H ARG A 12 2.205 -14.642 10.960 1.00 0.00 H new ATOM 0 HA ARG A 12 1.109 -12.374 12.205 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.309 -14.476 13.370 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.040 -14.539 13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.069 -13.788 15.262 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.976 -12.232 14.462 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.289 -12.119 16.108 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.411 -12.461 14.630 1.00 0.00 H new ATOM 0 HE ARG A 12 1.187 -14.854 16.157 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.240 -12.354 15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.559 -13.322 16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.512 -16.090 17.012 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.149 -15.428 17.058 1.00 0.00 H new ATOM 167 N ASP A 13 4.338 -12.255 11.599 1.00 0.00 N ATOM 168 CA ASP A 13 5.495 -11.368 11.557 1.00 0.00 C ATOM 169 C ASP A 13 5.090 -9.969 11.100 1.00 0.00 C ATOM 170 O ASP A 13 5.427 -8.975 11.742 1.00 0.00 O ATOM 171 CB ASP A 13 6.564 -11.933 10.621 1.00 0.00 C ATOM 172 CG ASP A 13 7.961 -11.480 10.997 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.212 -10.257 10.979 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.803 -12.348 11.308 1.00 0.00 O ATOM 0 H ASP A 13 4.495 -13.173 11.183 1.00 0.00 H new ATOM 0 HA ASP A 13 5.905 -11.298 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.521 -13.022 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.348 -11.624 9.598 1.00 0.00 H new ATOM 179 N MET A 14 4.366 -9.902 9.988 1.00 0.00 N ATOM 180 CA MET A 14 3.915 -8.625 9.446 1.00 0.00 C ATOM 181 C MET A 14 3.064 -7.873 10.464 1.00 0.00 C ATOM 182 O MET A 14 3.399 -6.758 10.867 1.00 0.00 O ATOM 183 CB MET A 14 3.117 -8.846 8.160 1.00 0.00 C ATOM 184 CG MET A 14 3.961 -9.345 6.999 1.00 0.00 C ATOM 185 SD MET A 14 4.049 -11.144 6.927 1.00 0.00 S ATOM 186 CE MET A 14 2.789 -11.496 5.703 1.00 0.00 C ATOM 0 H MET A 14 4.079 -10.716 9.445 1.00 0.00 H new ATOM 0 HA MET A 14 4.795 -8.023 9.220 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.321 -9.565 8.355 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.638 -7.910 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.546 -8.968 6.065 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.969 -8.939 7.087 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.445 -12.524 5.820 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.949 -10.815 5.839 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.205 -11.364 4.704 1.00 0.00 H new ATOM 196 N THR A 15 1.961 -8.489 10.877 1.00 0.00 N ATOM 197 CA THR A 15 1.061 -7.877 11.847 1.00 0.00 C ATOM 198 C THR A 15 1.831 -7.330 13.043 1.00 0.00 C ATOM 199 O THR A 15 1.500 -6.271 13.576 1.00 0.00 O ATOM 200 CB THR A 15 0.006 -8.881 12.346 1.00 0.00 C ATOM 201 OG1 THR A 15 0.640 -9.933 13.083 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.774 -9.471 11.181 1.00 0.00 C ATOM 0 H THR A 15 1.669 -9.412 10.555 1.00 0.00 H new ATOM 0 HA THR A 15 0.558 -7.056 11.336 1.00 0.00 H new ATOM 0 HB THR A 15 -0.689 -8.350 12.996 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.396 -10.284 12.568 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.513 -10.177 11.559 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.280 -8.671 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.089 -9.988 10.509 1.00 0.00 H new ATOM 210 N GLY A 16 2.862 -8.058 13.460 1.00 0.00 N ATOM 211 CA GLY A 16 3.664 -7.629 14.591 1.00 0.00 C ATOM 212 C GLY A 16 4.287 -6.264 14.375 1.00 0.00 C ATOM 213 O GLY A 16 4.516 -5.519 15.329 1.00 0.00 O ATOM 0 H GLY A 16 3.156 -8.937 13.035 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.041 -7.603 15.485 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.452 -8.360 14.772 1.00 0.00 H new ATOM 217 N LEU A 17 4.564 -5.934 13.119 1.00 0.00 N ATOM 218 CA LEU A 17 5.167 -4.649 12.780 1.00 0.00 C ATOM 219 C LEU A 17 4.432 -3.504 13.470 1.00 0.00 C ATOM 220 O LEU A 17 3.234 -3.579 13.743 1.00 0.00 O ATOM 221 CB LEU A 17 5.152 -4.440 11.264 1.00 0.00 C ATOM 222 CG LEU A 17 6.137 -5.289 10.460 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.877 -5.140 8.969 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.571 -4.901 10.794 1.00 0.00 C ATOM 0 H LEU A 17 4.381 -6.538 12.318 1.00 0.00 H new ATOM 0 HA LEU A 17 6.200 -4.657 13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.145 -4.644 10.899 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.358 -3.389 11.060 1.00 0.00 H new ATOM 0 HG LEU A 17 5.991 -6.335 10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.588 -5.751 8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.862 -5.466 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.995 -4.095 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.259 -5.515 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.729 -3.850 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.753 -5.060 11.857 1.00 0.00 H new ATOM 236 N PRO A 18 5.164 -2.418 13.756 1.00 0.00 N ATOM 237 CA PRO A 18 4.602 -1.235 14.415 1.00 0.00 C ATOM 238 C PRO A 18 3.642 -0.470 13.511 1.00 0.00 C ATOM 239 O PRO A 18 2.637 0.072 13.973 1.00 0.00 O ATOM 240 CB PRO A 18 5.835 -0.384 14.729 1.00 0.00 C ATOM 241 CG PRO A 18 6.850 -0.801 13.721 1.00 0.00 C ATOM 242 CD PRO A 18 6.598 -2.261 13.459 1.00 0.00 C ATOM 0 HA PRO A 18 4.015 -1.499 15.295 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.612 0.680 14.650 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.190 -0.561 15.744 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.753 -0.218 12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.861 -0.641 14.096 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.827 -2.530 12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.213 -2.896 14.097 1.00 0.00 H new ATOM 250 N HIS A 19 3.958 -0.428 12.221 1.00 0.00 N ATOM 251 CA HIS A 19 3.121 0.271 11.251 1.00 0.00 C ATOM 252 C HIS A 19 1.863 -0.533 10.940 1.00 0.00 C ATOM 253 O HIS A 19 0.937 -0.033 10.302 1.00 0.00 O ATOM 254 CB HIS A 19 3.905 0.532 9.965 1.00 0.00 C ATOM 255 CG HIS A 19 4.815 -0.593 9.579 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.093 -0.732 10.079 1.00 0.00 N ATOM 257 CD2 HIS A 19 4.626 -1.636 8.738 1.00 0.00 C ATOM 258 CE1 HIS A 19 6.651 -1.811 9.560 1.00 0.00 C ATOM 259 NE2 HIS A 19 5.781 -2.379 8.744 1.00 0.00 N ATOM 0 H HIS A 19 4.787 -0.869 11.823 1.00 0.00 H new ATOM 0 HA HIS A 19 2.822 1.225 11.686 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.203 0.715 9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.495 1.440 10.087 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.538 -0.100 10.745 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.733 -1.845 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.649 -2.168 9.767 1.00 0.00 H new ATOM 267 N ASN A 20 1.837 -1.782 11.394 1.00 0.00 N ATOM 268 CA ASN A 20 0.692 -2.656 11.162 1.00 0.00 C ATOM 269 C ASN A 20 -0.231 -2.677 12.376 1.00 0.00 C ATOM 270 O ASN A 20 -1.442 -2.860 12.246 1.00 0.00 O ATOM 271 CB ASN A 20 1.164 -4.076 10.842 1.00 0.00 C ATOM 272 CG ASN A 20 1.381 -4.292 9.357 1.00 0.00 C ATOM 273 OD1 ASN A 20 0.467 -4.692 8.636 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.597 -4.027 8.892 1.00 0.00 N ATOM 0 H ASN A 20 2.595 -2.212 11.924 1.00 0.00 H new ATOM 0 HA ASN A 20 0.135 -2.265 10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.094 -4.276 11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.427 -4.792 11.207 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.803 -4.153 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.325 -3.697 9.526 1.00 0.00 H new ATOM 281 N ARG A 21 0.349 -2.487 13.557 1.00 0.00 N ATOM 282 CA ARG A 21 -0.421 -2.484 14.795 1.00 0.00 C ATOM 283 C ARG A 21 -1.782 -1.827 14.587 1.00 0.00 C ATOM 284 O ARG A 21 -2.755 -2.159 15.266 1.00 0.00 O ATOM 285 CB ARG A 21 0.347 -1.753 15.897 1.00 0.00 C ATOM 286 CG ARG A 21 1.685 -2.392 16.234 1.00 0.00 C ATOM 287 CD ARG A 21 1.511 -3.821 16.725 1.00 0.00 C ATOM 288 NE ARG A 21 0.604 -3.901 17.867 1.00 0.00 N ATOM 289 CZ ARG A 21 0.960 -3.596 19.110 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.196 -3.193 19.370 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.077 -3.694 20.097 1.00 0.00 N ATOM 0 H ARG A 21 1.350 -2.333 13.682 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.579 -3.519 15.097 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.514 -0.721 15.588 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.268 -1.721 16.797 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.326 -2.384 15.352 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.189 -1.802 16.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.127 -4.439 15.913 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.482 -4.229 17.004 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.355 -4.208 17.701 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.877 -3.116 18.614 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.466 -2.960 20.326 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.875 -4.004 19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.351 -3.460 21.051 1.00 0.00 H new ATOM 305 N LYS A 22 -1.845 -0.892 13.645 1.00 0.00 N ATOM 306 CA LYS A 22 -3.086 -0.188 13.346 1.00 0.00 C ATOM 307 C LYS A 22 -3.368 -0.194 11.847 1.00 0.00 C ATOM 308 O LYS A 22 -2.471 -0.435 11.037 1.00 0.00 O ATOM 309 CB LYS A 22 -3.014 1.253 13.856 1.00 0.00 C ATOM 310 CG LYS A 22 -1.604 1.818 13.886 1.00 0.00 C ATOM 311 CD LYS A 22 -1.599 3.318 13.641 1.00 0.00 C ATOM 312 CE LYS A 22 -1.532 3.640 12.156 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.041 5.024 11.911 1.00 0.00 N ATOM 0 H LYS A 22 -1.050 -0.604 13.075 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.900 -0.707 13.853 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.636 1.885 13.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.435 1.295 14.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.146 1.605 14.852 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.996 1.323 13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.498 3.761 14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.747 3.768 14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.873 2.928 11.659 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.521 3.522 11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.010 5.205 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.683 5.705 12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.087 5.130 12.311 1.00 0.00 H new ATOM 327 N CYS A 23 -4.617 0.072 11.483 1.00 0.00 N ATOM 328 CA CYS A 23 -5.018 0.098 10.082 1.00 0.00 C ATOM 329 C CYS A 23 -4.220 1.144 9.308 1.00 0.00 C ATOM 330 O CYS A 23 -3.377 1.841 9.873 1.00 0.00 O ATOM 331 CB CYS A 23 -6.514 0.392 9.962 1.00 0.00 C ATOM 332 SG CYS A 23 -7.300 -0.337 8.489 1.00 0.00 S ATOM 0 H CYS A 23 -5.371 0.273 12.140 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.812 -0.883 9.653 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.019 0.018 10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.661 1.472 9.942 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.517 -0.693 8.778 1.00 0.00 H new ATOM 337 N PHE A 24 -4.493 1.247 8.011 1.00 0.00 N ATOM 338 CA PHE A 24 -3.800 2.207 7.158 1.00 0.00 C ATOM 339 C PHE A 24 -4.642 3.464 6.960 1.00 0.00 C ATOM 340 O PHE A 24 -4.109 4.562 6.802 1.00 0.00 O ATOM 341 CB PHE A 24 -3.478 1.576 5.802 1.00 0.00 C ATOM 342 CG PHE A 24 -2.670 2.468 4.903 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.287 3.449 4.143 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.295 2.326 4.819 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.547 4.272 3.315 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.549 3.146 3.993 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.176 4.119 3.239 1.00 0.00 C ATOM 0 H PHE A 24 -5.188 0.678 7.528 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.869 2.488 7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.933 0.646 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.410 1.316 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.359 3.572 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.800 1.566 5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.040 5.033 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.523 3.026 3.937 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.595 4.759 2.591 1.00 0.00 H new ATOM 357 N ASP A 25 -5.960 3.294 6.969 1.00 0.00 N ATOM 358 CA ASP A 25 -6.876 4.414 6.790 1.00 0.00 C ATOM 359 C ASP A 25 -7.423 4.888 8.133 1.00 0.00 C ATOM 360 O ASP A 25 -7.180 6.022 8.549 1.00 0.00 O ATOM 361 CB ASP A 25 -8.029 4.015 5.868 1.00 0.00 C ATOM 362 CG ASP A 25 -7.622 2.967 4.851 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.492 3.058 4.326 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.432 2.056 4.582 1.00 0.00 O ATOM 0 H ASP A 25 -6.417 2.392 7.098 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.323 5.235 6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.855 3.633 6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.396 4.899 5.347 1.00 0.00 H new ATOM 369 N CYS A 26 -8.163 4.014 8.807 1.00 0.00 N ATOM 370 CA CYS A 26 -8.746 4.342 10.102 1.00 0.00 C ATOM 371 C CYS A 26 -7.740 4.112 11.226 1.00 0.00 C ATOM 372 O CYS A 26 -8.078 4.207 12.406 1.00 0.00 O ATOM 373 CB CYS A 26 -10.002 3.503 10.347 1.00 0.00 C ATOM 374 SG CYS A 26 -9.703 1.706 10.363 1.00 0.00 S ATOM 0 H CYS A 26 -8.373 3.072 8.477 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.018 5.397 10.093 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.442 3.796 11.300 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.736 3.732 9.574 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.838 1.402 9.442 1.00 0.00 H new ATOM 379 N ASP A 27 -6.502 3.809 10.851 1.00 0.00 N ATOM 380 CA ASP A 27 -5.445 3.567 11.826 1.00 0.00 C ATOM 381 C ASP A 27 -5.971 2.756 13.006 1.00 0.00 C ATOM 382 O ASP A 27 -5.431 2.827 14.110 1.00 0.00 O ATOM 383 CB ASP A 27 -4.864 4.892 12.321 1.00 0.00 C ATOM 384 CG ASP A 27 -5.642 5.465 13.490 1.00 0.00 C ATOM 385 OD1 ASP A 27 -6.740 6.012 13.260 1.00 0.00 O ATOM 386 OD2 ASP A 27 -5.151 5.366 14.634 1.00 0.00 O ATOM 0 H ASP A 27 -6.206 3.725 9.879 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.657 2.995 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.826 4.742 12.618 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.861 5.612 11.503 1.00 0.00 H new ATOM 391 N GLN A 28 -7.027 1.986 12.765 1.00 0.00 N ATOM 392 CA GLN A 28 -7.626 1.163 13.809 1.00 0.00 C ATOM 393 C GLN A 28 -6.614 0.168 14.366 1.00 0.00 C ATOM 394 O GLN A 28 -6.097 -0.680 13.638 1.00 0.00 O ATOM 395 CB GLN A 28 -8.845 0.417 13.263 1.00 0.00 C ATOM 396 CG GLN A 28 -9.360 -0.670 14.193 1.00 0.00 C ATOM 397 CD GLN A 28 -10.149 -0.113 15.361 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.594 0.157 16.427 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.451 0.062 15.167 1.00 0.00 N ATOM 0 H GLN A 28 -7.485 1.915 11.857 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.944 1.821 14.618 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.645 1.133 13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.587 -0.030 12.303 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.990 -1.357 13.629 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.517 -1.248 14.572 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.869 -0.175 14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.033 0.434 15.918 1.00 0.00 H new ATOM 408 N ARG A 29 -6.335 0.278 15.661 1.00 0.00 N ATOM 409 CA ARG A 29 -5.382 -0.612 16.315 1.00 0.00 C ATOM 410 C ARG A 29 -5.896 -2.048 16.322 1.00 0.00 C ATOM 411 O ARG A 29 -6.402 -2.533 17.334 1.00 0.00 O ATOM 412 CB ARG A 29 -5.119 -0.146 17.748 1.00 0.00 C ATOM 413 CG ARG A 29 -3.779 -0.604 18.301 1.00 0.00 C ATOM 414 CD ARG A 29 -3.833 -2.051 18.764 1.00 0.00 C ATOM 415 NE ARG A 29 -4.652 -2.212 19.963 1.00 0.00 N ATOM 416 CZ ARG A 29 -4.245 -1.874 21.181 1.00 0.00 C ATOM 417 NH1 ARG A 29 -3.037 -1.358 21.361 1.00 0.00 N ATOM 418 NH2 ARG A 29 -5.048 -2.050 22.223 1.00 0.00 N ATOM 0 H ARG A 29 -6.755 0.974 16.278 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.449 -0.581 15.753 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.163 0.943 17.781 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.915 -0.517 18.394 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.011 -0.494 17.535 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.491 0.036 19.135 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.235 -2.673 17.964 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.822 -2.405 18.965 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.587 -2.605 19.859 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.417 -1.220 20.563 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.727 -1.099 22.298 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.979 -2.445 22.089 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.734 -1.790 23.158 1.00 0.00 H new ATOM 432 N GLY A 30 -5.764 -2.725 15.185 1.00 0.00 N ATOM 433 CA GLY A 30 -6.220 -4.099 15.082 1.00 0.00 C ATOM 434 C GLY A 30 -6.747 -4.432 13.700 1.00 0.00 C ATOM 435 O GLY A 30 -7.947 -4.624 13.500 1.00 0.00 O ATOM 0 H GLY A 30 -5.349 -2.346 14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.397 -4.771 15.326 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.004 -4.275 15.819 1.00 0.00 H new ATOM 439 N PRO A 31 -5.838 -4.503 12.716 1.00 0.00 N ATOM 440 CA PRO A 31 -6.195 -4.814 11.329 1.00 0.00 C ATOM 441 C PRO A 31 -6.640 -6.262 11.156 1.00 0.00 C ATOM 442 O PRO A 31 -6.112 -7.167 11.804 1.00 0.00 O ATOM 443 CB PRO A 31 -4.895 -4.558 10.562 1.00 0.00 C ATOM 444 CG PRO A 31 -3.816 -4.746 11.572 1.00 0.00 C ATOM 445 CD PRO A 31 -4.391 -4.285 12.883 1.00 0.00 C ATOM 0 HA PRO A 31 -7.036 -4.215 10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.783 -5.253 9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.874 -3.552 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.510 -5.791 11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.930 -4.167 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.992 -4.858 13.720 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.162 -3.237 13.076 1.00 0.00 H new ATOM 453 N THR A 32 -7.613 -6.477 10.276 1.00 0.00 N ATOM 454 CA THR A 32 -8.129 -7.815 10.018 1.00 0.00 C ATOM 455 C THR A 32 -8.258 -8.076 8.522 1.00 0.00 C ATOM 456 O THR A 32 -8.923 -9.023 8.102 1.00 0.00 O ATOM 457 CB THR A 32 -9.502 -8.026 10.684 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.319 -6.865 10.501 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.344 -8.312 12.170 1.00 0.00 C ATOM 0 H THR A 32 -8.060 -5.741 9.730 1.00 0.00 H new ATOM 0 HA THR A 32 -7.414 -8.517 10.446 1.00 0.00 H new ATOM 0 HB THR A 32 -9.981 -8.885 10.214 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.205 -7.136 10.182 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.327 -8.457 12.619 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.746 -9.213 12.306 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.846 -7.470 12.652 1.00 0.00 H new ATOM 467 N TYR A 33 -7.617 -7.231 7.722 1.00 0.00 N ATOM 468 CA TYR A 33 -7.662 -7.369 6.271 1.00 0.00 C ATOM 469 C TYR A 33 -6.390 -6.819 5.632 1.00 0.00 C ATOM 470 O TYR A 33 -5.597 -6.140 6.284 1.00 0.00 O ATOM 471 CB TYR A 33 -8.884 -6.644 5.706 1.00 0.00 C ATOM 472 CG TYR A 33 -10.117 -7.515 5.615 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.368 -8.281 4.484 1.00 0.00 C ATOM 474 CD2 TYR A 33 -11.029 -7.572 6.661 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.493 -9.078 4.396 1.00 0.00 C ATOM 476 CE2 TYR A 33 -12.156 -8.367 6.583 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.384 -9.117 5.449 1.00 0.00 C ATOM 478 OH TYR A 33 -13.506 -9.911 5.366 1.00 0.00 O ATOM 0 H TYR A 33 -7.060 -6.443 8.054 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.737 -8.430 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.105 -5.780 6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.644 -6.264 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.672 -8.253 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.854 -6.985 7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.674 -9.667 3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.855 -8.401 7.406 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.029 -9.826 6.191 1.00 0.00 H new ATOM 488 N VAL A 34 -6.203 -7.118 4.350 1.00 0.00 N ATOM 489 CA VAL A 34 -5.029 -6.654 3.621 1.00 0.00 C ATOM 490 C VAL A 34 -5.406 -6.166 2.226 1.00 0.00 C ATOM 491 O VAL A 34 -6.292 -6.725 1.581 1.00 0.00 O ATOM 492 CB VAL A 34 -3.970 -7.765 3.495 1.00 0.00 C ATOM 493 CG1 VAL A 34 -3.315 -8.034 4.841 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.594 -9.034 2.934 1.00 0.00 C ATOM 0 H VAL A 34 -6.849 -7.679 3.795 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.609 -5.826 4.192 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.198 -7.430 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.570 -8.822 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.832 -7.125 5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.073 -8.348 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.832 -9.809 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.387 -9.375 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.011 -8.829 1.948 1.00 0.00 H new ATOM 504 N ASN A 35 -4.726 -5.120 1.767 1.00 0.00 N ATOM 505 CA ASN A 35 -4.990 -4.557 0.448 1.00 0.00 C ATOM 506 C ASN A 35 -3.911 -4.972 -0.547 1.00 0.00 C ATOM 507 O ASN A 35 -2.899 -4.289 -0.702 1.00 0.00 O ATOM 508 CB ASN A 35 -5.065 -3.031 0.529 1.00 0.00 C ATOM 509 CG ASN A 35 -5.843 -2.428 -0.626 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.852 -2.981 -1.064 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.375 -1.290 -1.124 1.00 0.00 N ATOM 0 H ASN A 35 -3.989 -4.646 2.289 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.948 -4.944 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.534 -2.742 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.055 -2.620 0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.856 -0.838 -1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.535 -0.868 -0.729 1.00 0.00 H new ATOM 518 N MET A 36 -4.134 -6.097 -1.219 1.00 0.00 N ATOM 519 CA MET A 36 -3.181 -6.602 -2.200 1.00 0.00 C ATOM 520 C MET A 36 -2.748 -5.496 -3.157 1.00 0.00 C ATOM 521 O MET A 36 -1.560 -5.332 -3.436 1.00 0.00 O ATOM 522 CB MET A 36 -3.794 -7.762 -2.987 1.00 0.00 C ATOM 523 CG MET A 36 -3.599 -9.116 -2.324 1.00 0.00 C ATOM 524 SD MET A 36 -1.994 -9.848 -2.700 1.00 0.00 S ATOM 525 CE MET A 36 -1.391 -10.207 -1.052 1.00 0.00 C ATOM 0 H MET A 36 -4.966 -6.676 -1.102 1.00 0.00 H new ATOM 0 HA MET A 36 -2.301 -6.960 -1.665 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.861 -7.580 -3.115 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.353 -7.788 -3.983 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.700 -9.006 -1.244 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.388 -9.793 -2.650 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.404 -10.665 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.325 -9.282 -0.479 1.00 0.00 H new ATOM 0 HE3 MET A 36 -2.077 -10.893 -0.555 1.00 0.00 H new ATOM 535 N THR A 37 -3.720 -4.739 -3.658 1.00 0.00 N ATOM 536 CA THR A 37 -3.439 -3.650 -4.585 1.00 0.00 C ATOM 537 C THR A 37 -2.331 -2.748 -4.054 1.00 0.00 C ATOM 538 O THR A 37 -1.490 -2.267 -4.814 1.00 0.00 O ATOM 539 CB THR A 37 -4.696 -2.799 -4.849 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.646 -3.553 -5.611 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.338 -1.523 -5.595 1.00 0.00 C ATOM 0 H THR A 37 -4.708 -4.860 -3.437 1.00 0.00 H new ATOM 0 HA THR A 37 -3.115 -4.107 -5.520 1.00 0.00 H new ATOM 0 HB THR A 37 -5.134 -2.528 -3.888 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.279 -2.941 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.241 -0.938 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.637 -0.938 -5.000 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.879 -1.777 -6.551 1.00 0.00 H new ATOM 549 N VAL A 38 -2.335 -2.522 -2.744 1.00 0.00 N ATOM 550 CA VAL A 38 -1.329 -1.678 -2.111 1.00 0.00 C ATOM 551 C VAL A 38 -0.517 -2.465 -1.087 1.00 0.00 C ATOM 552 O VAL A 38 0.121 -1.887 -0.209 1.00 0.00 O ATOM 553 CB VAL A 38 -1.971 -0.463 -1.416 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.917 0.581 -1.082 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.065 0.132 -2.289 1.00 0.00 C ATOM 0 H VAL A 38 -3.024 -2.912 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.668 -1.326 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.424 -0.798 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.390 1.432 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.172 0.146 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.432 0.915 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.508 0.990 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.638 0.452 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.834 -0.619 -2.471 1.00 0.00 H new ATOM 565 N GLY A 39 -0.547 -3.789 -1.208 1.00 0.00 N ATOM 566 CA GLY A 39 0.190 -4.634 -0.287 1.00 0.00 C ATOM 567 C GLY A 39 0.192 -4.087 1.127 1.00 0.00 C ATOM 568 O GLY A 39 1.177 -4.226 1.852 1.00 0.00 O ATOM 0 H GLY A 39 -1.068 -4.291 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.247 -5.633 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.218 -4.736 -0.635 1.00 0.00 H new ATOM 572 N SER A 40 -0.913 -3.462 1.519 1.00 0.00 N ATOM 573 CA SER A 40 -1.033 -2.888 2.854 1.00 0.00 C ATOM 574 C SER A 40 -1.941 -3.742 3.734 1.00 0.00 C ATOM 575 O SER A 40 -2.458 -4.771 3.298 1.00 0.00 O ATOM 576 CB SER A 40 -1.580 -1.461 2.771 1.00 0.00 C ATOM 577 OG SER A 40 -2.888 -1.447 2.227 1.00 0.00 O ATOM 0 H SER A 40 -1.738 -3.340 0.932 1.00 0.00 H new ATOM 0 HA SER A 40 -0.040 -2.864 3.303 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.591 -1.014 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.920 -0.850 2.155 1.00 0.00 H new ATOM 0 HG SER A 40 -3.215 -0.524 2.186 1.00 0.00 H new ATOM 583 N PHE A 41 -2.131 -3.307 4.975 1.00 0.00 N ATOM 584 CA PHE A 41 -2.975 -4.031 5.918 1.00 0.00 C ATOM 585 C PHE A 41 -4.176 -3.186 6.332 1.00 0.00 C ATOM 586 O PHE A 41 -4.034 -2.192 7.044 1.00 0.00 O ATOM 587 CB PHE A 41 -2.168 -4.432 7.155 1.00 0.00 C ATOM 588 CG PHE A 41 -1.261 -5.606 6.924 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.165 -5.497 6.083 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.503 -6.819 7.548 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.672 -6.575 5.868 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.669 -7.901 7.338 1.00 0.00 C ATOM 593 CZ PHE A 41 0.419 -7.779 6.496 1.00 0.00 C ATOM 0 H PHE A 41 -1.712 -2.457 5.351 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.339 -4.932 5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.571 -3.580 7.481 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.856 -4.669 7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.037 -4.558 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.353 -6.920 8.206 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.523 -6.476 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.868 -8.841 7.832 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.071 -8.624 6.329 1.00 0.00 H new ATOM 603 N VAL A 42 -5.360 -3.590 5.881 1.00 0.00 N ATOM 604 CA VAL A 42 -6.587 -2.871 6.204 1.00 0.00 C ATOM 605 C VAL A 42 -7.484 -3.698 7.118 1.00 0.00 C ATOM 606 O VAL A 42 -7.105 -4.783 7.562 1.00 0.00 O ATOM 607 CB VAL A 42 -7.372 -2.500 4.932 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.568 -1.537 4.071 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.737 -3.751 4.148 1.00 0.00 C ATOM 0 H VAL A 42 -5.495 -4.411 5.291 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.292 -1.957 6.719 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.295 -2.002 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.138 -1.286 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.362 -0.629 4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.627 -2.006 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.291 -3.470 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.828 -4.279 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.354 -4.402 4.768 1.00 0.00 H new ATOM 619 N CYS A 43 -8.675 -3.180 7.396 1.00 0.00 N ATOM 620 CA CYS A 43 -9.628 -3.870 8.257 1.00 0.00 C ATOM 621 C CYS A 43 -10.917 -4.182 7.502 1.00 0.00 C ATOM 622 O CYS A 43 -11.061 -3.840 6.327 1.00 0.00 O ATOM 623 CB CYS A 43 -9.940 -3.021 9.491 1.00 0.00 C ATOM 624 SG CYS A 43 -10.901 -1.515 9.134 1.00 0.00 S ATOM 0 H CYS A 43 -9.004 -2.284 7.037 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.177 -4.810 8.575 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.492 -3.630 10.208 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.003 -2.736 9.969 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.305 -0.486 9.659 1.00 0.00 H new ATOM 629 N THR A 44 -11.854 -4.833 8.185 1.00 0.00 N ATOM 630 CA THR A 44 -13.130 -5.192 7.580 1.00 0.00 C ATOM 631 C THR A 44 -13.815 -3.971 6.976 1.00 0.00 C ATOM 632 O THR A 44 -14.262 -4.002 5.830 1.00 0.00 O ATOM 633 CB THR A 44 -14.076 -5.842 8.607 1.00 0.00 C ATOM 634 OG1 THR A 44 -13.328 -6.664 9.510 1.00 0.00 O ATOM 635 CG2 THR A 44 -15.138 -6.679 7.911 1.00 0.00 C ATOM 0 H THR A 44 -11.752 -5.122 9.158 1.00 0.00 H new ATOM 0 HA THR A 44 -12.914 -5.912 6.790 1.00 0.00 H new ATOM 0 HB THR A 44 -14.572 -5.048 9.165 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.936 -7.072 10.161 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.794 -7.128 8.657 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.724 -6.044 7.247 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.658 -7.466 7.330 1.00 0.00 H new ATOM 643 N SER A 45 -13.894 -2.897 7.755 1.00 0.00 N ATOM 644 CA SER A 45 -14.528 -1.666 7.298 1.00 0.00 C ATOM 645 C SER A 45 -13.833 -1.128 6.051 1.00 0.00 C ATOM 646 O SER A 45 -14.424 -1.072 4.972 1.00 0.00 O ATOM 647 CB SER A 45 -14.501 -0.611 8.406 1.00 0.00 C ATOM 648 OG SER A 45 -15.293 0.512 8.061 1.00 0.00 O ATOM 0 H SER A 45 -13.527 -2.854 8.706 1.00 0.00 H new ATOM 0 HA SER A 45 -15.564 -1.892 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.867 -1.046 9.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.474 -0.294 8.585 1.00 0.00 H new ATOM 0 HG SER A 45 -15.260 1.171 8.786 1.00 0.00 H new ATOM 654 N CYS A 46 -12.574 -0.732 6.207 1.00 0.00 N ATOM 655 CA CYS A 46 -11.797 -0.198 5.095 1.00 0.00 C ATOM 656 C CYS A 46 -11.830 -1.148 3.902 1.00 0.00 C ATOM 657 O CYS A 46 -12.269 -0.778 2.813 1.00 0.00 O ATOM 658 CB CYS A 46 -10.350 0.044 5.528 1.00 0.00 C ATOM 659 SG CYS A 46 -10.153 1.376 6.755 1.00 0.00 S ATOM 0 H CYS A 46 -12.070 -0.771 7.093 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.243 0.750 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.947 -0.880 5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.754 0.285 4.648 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.141 1.109 7.527 1.00 0.00 H new ATOM 664 N SER A 47 -11.364 -2.374 4.115 1.00 0.00 N ATOM 665 CA SER A 47 -11.337 -3.377 3.057 1.00 0.00 C ATOM 666 C SER A 47 -12.543 -3.226 2.134 1.00 0.00 C ATOM 667 O SER A 47 -12.408 -3.229 0.912 1.00 0.00 O ATOM 668 CB SER A 47 -11.314 -4.784 3.658 1.00 0.00 C ATOM 669 OG SER A 47 -12.438 -5.000 4.494 1.00 0.00 O ATOM 0 H SER A 47 -11.000 -2.697 5.011 1.00 0.00 H new ATOM 0 HA SER A 47 -10.431 -3.225 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.304 -5.524 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.398 -4.923 4.232 1.00 0.00 H new ATOM 0 HG SER A 47 -12.739 -4.144 4.865 1.00 0.00 H new ATOM 675 N GLY A 48 -13.724 -3.094 2.731 1.00 0.00 N ATOM 676 CA GLY A 48 -14.938 -2.943 1.950 1.00 0.00 C ATOM 677 C GLY A 48 -15.045 -1.577 1.303 1.00 0.00 C ATOM 678 O GLY A 48 -15.549 -1.448 0.187 1.00 0.00 O ATOM 0 H GLY A 48 -13.861 -3.089 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.967 -3.711 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.803 -3.106 2.593 1.00 0.00 H new ATOM 682 N SER A 49 -14.572 -0.552 2.005 1.00 0.00 N ATOM 683 CA SER A 49 -14.622 0.813 1.495 1.00 0.00 C ATOM 684 C SER A 49 -13.816 0.941 0.207 1.00 0.00 C ATOM 685 O SER A 49 -14.277 1.530 -0.772 1.00 0.00 O ATOM 686 CB SER A 49 -14.089 1.791 2.543 1.00 0.00 C ATOM 687 OG SER A 49 -14.875 1.756 3.722 1.00 0.00 O ATOM 0 H SER A 49 -14.150 -0.641 2.929 1.00 0.00 H new ATOM 0 HA SER A 49 -15.662 1.056 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.055 1.542 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.087 2.801 2.134 1.00 0.00 H new ATOM 0 HG SER A 49 -14.760 0.890 4.166 1.00 0.00 H new ATOM 693 N LEU A 50 -12.609 0.386 0.213 1.00 0.00 N ATOM 694 CA LEU A 50 -11.737 0.437 -0.955 1.00 0.00 C ATOM 695 C LEU A 50 -12.451 -0.098 -2.192 1.00 0.00 C ATOM 696 O LEU A 50 -12.193 0.347 -3.310 1.00 0.00 O ATOM 697 CB LEU A 50 -10.462 -0.369 -0.699 1.00 0.00 C ATOM 698 CG LEU A 50 -9.571 0.127 0.440 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.696 -1.001 0.964 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.715 1.297 -0.023 1.00 0.00 C ATOM 0 H LEU A 50 -12.212 -0.105 1.014 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.471 1.479 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.744 -1.401 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.873 -0.380 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.211 0.470 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.069 -0.629 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.327 -1.809 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.064 -1.375 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.087 1.637 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.084 0.980 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.360 2.113 -0.349 1.00 0.00 H new ATOM 712 N ARG A 51 -13.350 -1.053 -1.983 1.00 0.00 N ATOM 713 CA ARG A 51 -14.103 -1.648 -3.081 1.00 0.00 C ATOM 714 C ARG A 51 -14.874 -0.581 -3.852 1.00 0.00 C ATOM 715 O ARG A 51 -14.811 -0.519 -5.079 1.00 0.00 O ATOM 716 CB ARG A 51 -15.070 -2.708 -2.549 1.00 0.00 C ATOM 717 CG ARG A 51 -14.410 -3.735 -1.644 1.00 0.00 C ATOM 718 CD ARG A 51 -13.414 -4.593 -2.409 1.00 0.00 C ATOM 719 NE ARG A 51 -14.064 -5.406 -3.433 1.00 0.00 N ATOM 720 CZ ARG A 51 -14.798 -6.480 -3.162 1.00 0.00 C ATOM 721 NH1 ARG A 51 -14.973 -6.868 -1.906 1.00 0.00 N ATOM 722 NH2 ARG A 51 -15.358 -7.169 -4.149 1.00 0.00 N ATOM 0 H ARG A 51 -13.575 -1.432 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.394 -2.121 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.871 -2.214 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.532 -3.222 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.901 -3.226 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.173 -4.372 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.667 -3.951 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.885 -5.243 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.948 -5.135 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.544 -6.342 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.537 -7.693 -1.701 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.225 -6.874 -5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.921 -7.993 -3.940 1.00 0.00 H new ATOM 736 N GLY A 52 -15.604 0.257 -3.122 1.00 0.00 N ATOM 737 CA GLY A 52 -16.378 1.310 -3.754 1.00 0.00 C ATOM 738 C GLY A 52 -15.568 2.100 -4.763 1.00 0.00 C ATOM 739 O GLY A 52 -16.098 2.556 -5.776 1.00 0.00 O ATOM 0 H GLY A 52 -15.673 0.226 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.244 0.872 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.758 1.986 -2.989 1.00 0.00 H new ATOM 743 N LEU A 53 -14.279 2.263 -4.486 1.00 0.00 N ATOM 744 CA LEU A 53 -13.393 3.005 -5.376 1.00 0.00 C ATOM 745 C LEU A 53 -13.430 2.426 -6.787 1.00 0.00 C ATOM 746 O LEU A 53 -13.929 1.323 -7.003 1.00 0.00 O ATOM 747 CB LEU A 53 -11.961 2.980 -4.840 1.00 0.00 C ATOM 748 CG LEU A 53 -11.745 3.629 -3.472 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.355 3.310 -2.944 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.953 5.134 -3.557 1.00 0.00 C ATOM 0 H LEU A 53 -13.824 1.891 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.741 4.037 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.634 1.942 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.315 3.479 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.478 3.220 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.219 3.780 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.242 2.230 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.606 3.691 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.795 5.579 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.244 5.560 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.969 5.343 -3.891 1.00 0.00 H new ATOM 762 N ASN A 54 -12.896 3.179 -7.744 1.00 0.00 N ATOM 763 CA ASN A 54 -12.867 2.740 -9.135 1.00 0.00 C ATOM 764 C ASN A 54 -11.522 3.063 -9.778 1.00 0.00 C ATOM 765 O ASN A 54 -11.108 4.219 -9.864 1.00 0.00 O ATOM 766 CB ASN A 54 -13.996 3.404 -9.925 1.00 0.00 C ATOM 767 CG ASN A 54 -14.053 2.928 -11.363 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.122 2.289 -11.855 1.00 0.00 O ATOM 769 ND2 ASN A 54 -15.149 3.238 -12.046 1.00 0.00 N ATOM 0 H ASN A 54 -12.478 4.095 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.008 1.659 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.948 3.195 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.860 4.485 -9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.244 2.945 -13.018 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.896 3.769 -11.598 1.00 0.00 H new ATOM 776 N PRO A 55 -10.823 2.017 -10.244 1.00 0.00 N ATOM 777 CA PRO A 55 -11.305 0.636 -10.147 1.00 0.00 C ATOM 778 C PRO A 55 -11.306 0.122 -8.712 1.00 0.00 C ATOM 779 O PRO A 55 -10.575 0.611 -7.851 1.00 0.00 O ATOM 780 CB PRO A 55 -10.302 -0.150 -10.996 1.00 0.00 C ATOM 781 CG PRO A 55 -9.058 0.669 -10.967 1.00 0.00 C ATOM 782 CD PRO A 55 -9.507 2.103 -10.899 1.00 0.00 C ATOM 0 HA PRO A 55 -12.337 0.540 -10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.130 -1.145 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.665 -0.283 -12.015 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.442 0.412 -10.106 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.453 0.491 -11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.811 2.715 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.580 2.549 -11.891 1.00 0.00 H new ATOM 790 N PRO A 56 -12.147 -0.889 -8.445 1.00 0.00 N ATOM 791 CA PRO A 56 -12.263 -1.492 -7.114 1.00 0.00 C ATOM 792 C PRO A 56 -11.023 -2.293 -6.731 1.00 0.00 C ATOM 793 O PRO A 56 -10.693 -3.291 -7.371 1.00 0.00 O ATOM 794 CB PRO A 56 -13.475 -2.417 -7.248 1.00 0.00 C ATOM 795 CG PRO A 56 -13.545 -2.743 -8.700 1.00 0.00 C ATOM 796 CD PRO A 56 -13.048 -1.521 -9.423 1.00 0.00 C ATOM 0 HA PRO A 56 -12.368 -0.739 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.354 -3.317 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.387 -1.926 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.931 -3.612 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.566 -2.984 -8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.523 -1.783 -10.342 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.867 -0.858 -9.702 1.00 0.00 H new ATOM 804 N HIS A 57 -10.339 -1.848 -5.681 1.00 0.00 N ATOM 805 CA HIS A 57 -9.135 -2.525 -5.211 1.00 0.00 C ATOM 806 C HIS A 57 -9.443 -3.963 -4.804 1.00 0.00 C ATOM 807 O HIS A 57 -10.582 -4.418 -4.912 1.00 0.00 O ATOM 808 CB HIS A 57 -8.527 -1.768 -4.030 1.00 0.00 C ATOM 809 CG HIS A 57 -7.872 -0.478 -4.418 1.00 0.00 C ATOM 810 ND1 HIS A 57 -7.018 0.214 -3.585 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.949 0.245 -5.560 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.599 1.307 -4.197 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.149 1.350 -5.397 1.00 0.00 N ATOM 0 H HIS A 57 -10.598 -1.023 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.416 -2.544 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.309 -1.563 -3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.792 -2.406 -3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.531 -0.001 -6.436 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.922 2.041 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.004 2.084 -6.090 1.00 0.00 H new ATOM 821 N ARG A 58 -8.421 -4.673 -4.338 1.00 0.00 N ATOM 822 CA ARG A 58 -8.582 -6.059 -3.918 1.00 0.00 C ATOM 823 C ARG A 58 -8.163 -6.238 -2.461 1.00 0.00 C ATOM 824 O ARG A 58 -7.085 -5.803 -2.057 1.00 0.00 O ATOM 825 CB ARG A 58 -7.759 -6.986 -4.814 1.00 0.00 C ATOM 826 CG ARG A 58 -8.151 -8.450 -4.701 1.00 0.00 C ATOM 827 CD ARG A 58 -7.007 -9.366 -5.105 1.00 0.00 C ATOM 828 NE ARG A 58 -7.446 -10.749 -5.270 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.715 -11.686 -5.865 1.00 0.00 C ATOM 830 NH1 ARG A 58 -5.517 -11.389 -6.348 1.00 0.00 N ATOM 831 NH2 ARG A 58 -7.183 -12.922 -5.976 1.00 0.00 N ATOM 0 H ARG A 58 -7.472 -4.311 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.636 -6.319 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.870 -6.668 -5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.704 -6.881 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.450 -8.670 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.016 -8.646 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.570 -9.010 -6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.223 -9.322 -4.349 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.364 -11.010 -4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.154 -10.440 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.958 -12.110 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.104 -13.154 -5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.622 -13.641 -6.433 1.00 0.00 H new ATOM 845 N VAL A 59 -9.024 -6.880 -1.678 1.00 0.00 N ATOM 846 CA VAL A 59 -8.743 -7.117 -0.267 1.00 0.00 C ATOM 847 C VAL A 59 -9.026 -8.566 0.114 1.00 0.00 C ATOM 848 O VAL A 59 -9.895 -9.215 -0.469 1.00 0.00 O ATOM 849 CB VAL A 59 -9.577 -6.188 0.635 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.863 -4.862 0.842 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.961 -5.971 0.041 1.00 0.00 C ATOM 0 H VAL A 59 -9.922 -7.245 -1.997 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.685 -6.905 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.695 -6.665 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.468 -4.219 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.897 -5.039 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.712 -4.376 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.537 -5.312 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.867 -5.516 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.473 -6.929 -0.049 1.00 0.00 H new ATOM 861 N LYS A 60 -8.287 -9.069 1.097 1.00 0.00 N ATOM 862 CA LYS A 60 -8.458 -10.441 1.559 1.00 0.00 C ATOM 863 C LYS A 60 -8.138 -10.559 3.046 1.00 0.00 C ATOM 864 O LYS A 60 -7.036 -10.226 3.481 1.00 0.00 O ATOM 865 CB LYS A 60 -7.561 -11.387 0.757 1.00 0.00 C ATOM 866 CG LYS A 60 -6.178 -11.569 1.358 1.00 0.00 C ATOM 867 CD LYS A 60 -5.224 -12.222 0.373 1.00 0.00 C ATOM 868 CE LYS A 60 -5.441 -13.726 0.300 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.105 -14.271 -1.045 1.00 0.00 N ATOM 0 H LYS A 60 -7.563 -8.546 1.590 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.500 -10.722 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.047 -12.360 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.459 -11.004 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.782 -10.600 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.249 -12.181 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.364 -11.785 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.196 -12.016 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.828 -14.218 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.480 -13.955 0.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.858 -14.917 -1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.018 -13.489 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.204 -14.788 -0.995 1.00 0.00 H new ATOM 883 N SER A 61 -9.108 -11.035 3.819 1.00 0.00 N ATOM 884 CA SER A 61 -8.930 -11.195 5.258 1.00 0.00 C ATOM 885 C SER A 61 -7.567 -11.804 5.572 1.00 0.00 C ATOM 886 O SER A 61 -6.948 -12.442 4.719 1.00 0.00 O ATOM 887 CB SER A 61 -10.040 -12.074 5.836 1.00 0.00 C ATOM 888 OG SER A 61 -10.273 -11.770 7.200 1.00 0.00 O ATOM 0 H SER A 61 -10.025 -11.317 3.474 1.00 0.00 H new ATOM 0 HA SER A 61 -8.982 -10.208 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.958 -11.928 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.766 -13.124 5.736 1.00 0.00 H new ATOM 0 HG SER A 61 -9.748 -10.983 7.454 1.00 0.00 H new ATOM 894 N ILE A 62 -7.105 -11.603 6.802 1.00 0.00 N ATOM 895 CA ILE A 62 -5.816 -12.133 7.230 1.00 0.00 C ATOM 896 C ILE A 62 -5.969 -13.519 7.847 1.00 0.00 C ATOM 897 O ILE A 62 -5.097 -14.375 7.700 1.00 0.00 O ATOM 898 CB ILE A 62 -5.135 -11.201 8.250 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.757 -9.874 7.588 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.906 -11.873 8.842 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.460 -8.769 8.577 1.00 0.00 C ATOM 0 H ILE A 62 -7.604 -11.077 7.519 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.191 -12.202 6.339 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.837 -10.995 9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.883 -10.029 6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.571 -9.558 6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.435 -11.202 9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.201 -12.794 9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.199 -12.105 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.200 -7.858 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.340 -8.586 9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.626 -9.065 9.213 1.00 0.00 H new ATOM 913 N SER A 63 -7.085 -13.733 8.537 1.00 0.00 N ATOM 914 CA SER A 63 -7.352 -15.015 9.178 1.00 0.00 C ATOM 915 C SER A 63 -8.373 -15.820 8.379 1.00 0.00 C ATOM 916 O SER A 63 -8.162 -16.998 8.092 1.00 0.00 O ATOM 917 CB SER A 63 -7.861 -14.799 10.605 1.00 0.00 C ATOM 918 OG SER A 63 -6.978 -13.969 11.341 1.00 0.00 O ATOM 0 H SER A 63 -7.818 -13.036 8.666 1.00 0.00 H new ATOM 0 HA SER A 63 -6.419 -15.577 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.852 -14.346 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.965 -15.761 11.107 1.00 0.00 H new ATOM 0 HG SER A 63 -7.326 -13.845 12.249 1.00 0.00 H new ATOM 924 N MET A 64 -9.479 -15.175 8.024 1.00 0.00 N ATOM 925 CA MET A 64 -10.532 -15.830 7.257 1.00 0.00 C ATOM 926 C MET A 64 -9.986 -16.384 5.945 1.00 0.00 C ATOM 927 O MET A 64 -10.409 -17.443 5.482 1.00 0.00 O ATOM 928 CB MET A 64 -11.672 -14.849 6.975 1.00 0.00 C ATOM 929 CG MET A 64 -12.749 -14.843 8.047 1.00 0.00 C ATOM 930 SD MET A 64 -14.369 -14.382 7.403 1.00 0.00 S ATOM 931 CE MET A 64 -14.870 -13.148 8.601 1.00 0.00 C ATOM 0 H MET A 64 -9.669 -14.200 8.255 1.00 0.00 H new ATOM 0 HA MET A 64 -10.915 -16.661 7.849 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.260 -13.844 6.880 1.00 0.00 H new ATOM 0 HB3 MET A 64 -12.127 -15.099 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.811 -15.833 8.500 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.465 -14.148 8.837 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.857 -12.766 8.339 1.00 0.00 H new ATOM 0 HE2 MET A 64 -14.907 -13.598 9.593 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.152 -12.328 8.601 1.00 0.00 H new ATOM 941 N THR A 65 -9.042 -15.661 5.350 1.00 0.00 N ATOM 942 CA THR A 65 -8.438 -16.079 4.091 1.00 0.00 C ATOM 943 C THR A 65 -7.006 -16.557 4.300 1.00 0.00 C ATOM 944 O THR A 65 -6.234 -15.937 5.032 1.00 0.00 O ATOM 945 CB THR A 65 -8.441 -14.935 3.060 1.00 0.00 C ATOM 946 OG1 THR A 65 -9.723 -14.299 3.037 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.104 -15.458 1.671 1.00 0.00 C ATOM 0 H THR A 65 -8.679 -14.783 5.720 1.00 0.00 H new ATOM 0 HA THR A 65 -9.040 -16.903 3.709 1.00 0.00 H new ATOM 0 HB THR A 65 -7.682 -14.210 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.716 -13.572 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.112 -14.632 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.115 -15.916 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.843 -16.201 1.373 1.00 0.00 H new ATOM 955 N THR A 66 -6.656 -17.664 3.652 1.00 0.00 N ATOM 956 CA THR A 66 -5.316 -18.225 3.767 1.00 0.00 C ATOM 957 C THR A 66 -4.354 -17.558 2.790 1.00 0.00 C ATOM 958 O THR A 66 -4.760 -17.094 1.724 1.00 0.00 O ATOM 959 CB THR A 66 -5.319 -19.744 3.511 1.00 0.00 C ATOM 960 OG1 THR A 66 -4.026 -20.291 3.791 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.703 -20.049 2.071 1.00 0.00 C ATOM 0 H THR A 66 -7.282 -18.190 3.042 1.00 0.00 H new ATOM 0 HA THR A 66 -4.981 -18.037 4.787 1.00 0.00 H new ATOM 0 HB THR A 66 -6.056 -20.200 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.037 -21.257 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.698 -21.128 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.700 -19.657 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.986 -19.581 1.396 1.00 0.00 H new ATOM 969 N PHE A 67 -3.079 -17.514 3.160 1.00 0.00 N ATOM 970 CA PHE A 67 -2.059 -16.903 2.315 1.00 0.00 C ATOM 971 C PHE A 67 -0.948 -17.900 1.997 1.00 0.00 C ATOM 972 O PHE A 67 -0.803 -18.922 2.668 1.00 0.00 O ATOM 973 CB PHE A 67 -1.471 -15.668 3.001 1.00 0.00 C ATOM 974 CG PHE A 67 -2.473 -14.571 3.222 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.568 -14.772 4.046 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.319 -13.340 2.605 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.492 -13.764 4.252 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.239 -12.329 2.808 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.328 -12.542 3.631 1.00 0.00 C ATOM 0 H PHE A 67 -2.727 -17.894 4.039 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.530 -16.600 1.380 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.049 -15.962 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.650 -15.283 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.702 -15.727 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.471 -13.169 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.341 -13.933 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.107 -11.373 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.050 -11.754 3.788 1.00 0.00 H new ATOM 989 N THR A 68 -0.165 -17.595 0.966 1.00 0.00 N ATOM 990 CA THR A 68 0.932 -18.463 0.557 1.00 0.00 C ATOM 991 C THR A 68 2.256 -17.707 0.544 1.00 0.00 C ATOM 992 O THR A 68 2.280 -16.483 0.420 1.00 0.00 O ATOM 993 CB THR A 68 0.682 -19.063 -0.840 1.00 0.00 C ATOM 994 OG1 THR A 68 1.923 -19.467 -1.429 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.011 -18.056 -1.745 1.00 0.00 C ATOM 0 H THR A 68 -0.271 -16.753 0.399 1.00 0.00 H new ATOM 0 HA THR A 68 0.986 -19.271 1.287 1.00 0.00 H new ATOM 0 HB THR A 68 0.034 -19.932 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.755 -19.849 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.177 -18.502 -2.726 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.969 -17.773 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.615 -17.170 -1.851 1.00 0.00 H new ATOM 1003 N GLN A 69 3.354 -18.445 0.671 1.00 0.00 N ATOM 1004 CA GLN A 69 4.682 -17.842 0.673 1.00 0.00 C ATOM 1005 C GLN A 69 4.747 -16.665 -0.294 1.00 0.00 C ATOM 1006 O GLN A 69 4.992 -15.530 0.113 1.00 0.00 O ATOM 1007 CB GLN A 69 5.738 -18.884 0.300 1.00 0.00 C ATOM 1008 CG GLN A 69 7.131 -18.302 0.126 1.00 0.00 C ATOM 1009 CD GLN A 69 7.789 -17.955 1.447 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.774 -18.750 2.388 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.371 -16.764 1.525 1.00 0.00 N ATOM 0 H GLN A 69 3.351 -19.460 0.774 1.00 0.00 H new ATOM 0 HA GLN A 69 4.885 -17.473 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.768 -19.652 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.440 -19.376 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.755 -19.018 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.071 -17.406 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.359 -16.137 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.830 -16.476 2.389 1.00 0.00 H new ATOM 1020 N GLN A 70 4.528 -16.944 -1.574 1.00 0.00 N ATOM 1021 CA GLN A 70 4.563 -15.908 -2.599 1.00 0.00 C ATOM 1022 C GLN A 70 3.934 -14.616 -2.088 1.00 0.00 C ATOM 1023 O GLN A 70 4.597 -13.582 -2.006 1.00 0.00 O ATOM 1024 CB GLN A 70 3.834 -16.380 -3.858 1.00 0.00 C ATOM 1025 CG GLN A 70 4.416 -17.651 -4.457 1.00 0.00 C ATOM 1026 CD GLN A 70 4.073 -17.815 -5.924 1.00 0.00 C ATOM 1027 OE1 GLN A 70 3.359 -16.994 -6.502 1.00 0.00 O ATOM 1028 NE2 GLN A 70 4.581 -18.878 -6.536 1.00 0.00 N ATOM 0 H GLN A 70 4.324 -17.879 -1.927 1.00 0.00 H new ATOM 0 HA GLN A 70 5.607 -15.711 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.784 -16.549 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.867 -15.588 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.500 -17.640 -4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.044 -18.513 -3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.168 -19.533 -6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.385 -19.040 -7.524 1.00 0.00 H new ATOM 1037 N GLU A 71 2.651 -14.683 -1.746 1.00 0.00 N ATOM 1038 CA GLU A 71 1.933 -13.517 -1.244 1.00 0.00 C ATOM 1039 C GLU A 71 2.680 -12.880 -0.076 1.00 0.00 C ATOM 1040 O GLU A 71 2.898 -11.668 -0.052 1.00 0.00 O ATOM 1041 CB GLU A 71 0.520 -13.910 -0.807 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.379 -14.326 -1.959 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.845 -14.051 -1.683 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.448 -14.799 -0.885 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.389 -13.090 -2.265 1.00 0.00 O ATOM 0 H GLU A 71 2.088 -15.531 -1.807 1.00 0.00 H new ATOM 0 HA GLU A 71 1.866 -12.788 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.585 -14.731 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.063 -13.069 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.077 -13.794 -2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.243 -15.390 -2.155 1.00 0.00 H new ATOM 1052 N ILE A 72 3.067 -13.704 0.892 1.00 0.00 N ATOM 1053 CA ILE A 72 3.789 -13.222 2.062 1.00 0.00 C ATOM 1054 C ILE A 72 4.897 -12.252 1.664 1.00 0.00 C ATOM 1055 O ILE A 72 4.965 -11.132 2.169 1.00 0.00 O ATOM 1056 CB ILE A 72 4.404 -14.385 2.863 1.00 0.00 C ATOM 1057 CG1 ILE A 72 3.310 -15.353 3.319 1.00 0.00 C ATOM 1058 CG2 ILE A 72 5.180 -13.853 4.059 1.00 0.00 C ATOM 1059 CD1 ILE A 72 2.431 -14.797 4.417 1.00 0.00 C ATOM 0 H ILE A 72 2.892 -14.709 0.889 1.00 0.00 H new ATOM 0 HA ILE A 72 3.063 -12.704 2.689 1.00 0.00 H new ATOM 0 HB ILE A 72 5.096 -14.926 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.687 -15.614 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.774 -16.275 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.608 -14.687 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.980 -13.199 3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.508 -13.291 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.678 -15.537 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.042 -14.562 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.938 -13.891 4.065 1.00 0.00 H new ATOM 1071 N GLU A 73 5.761 -12.691 0.754 1.00 0.00 N ATOM 1072 CA GLU A 73 6.866 -11.861 0.288 1.00 0.00 C ATOM 1073 C GLU A 73 6.349 -10.567 -0.334 1.00 0.00 C ATOM 1074 O GLU A 73 6.942 -9.502 -0.162 1.00 0.00 O ATOM 1075 CB GLU A 73 7.713 -12.626 -0.731 1.00 0.00 C ATOM 1076 CG GLU A 73 8.253 -13.946 -0.205 1.00 0.00 C ATOM 1077 CD GLU A 73 9.447 -14.445 -0.995 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.569 -13.954 -0.747 1.00 0.00 O ATOM 1079 OE2 GLU A 73 9.260 -15.324 -1.861 1.00 0.00 O ATOM 0 H GLU A 73 5.717 -13.615 0.325 1.00 0.00 H new ATOM 0 HA GLU A 73 7.486 -11.609 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.112 -12.817 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.549 -11.999 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.538 -13.827 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.462 -14.696 -0.236 1.00 0.00 H new ATOM 1086 N PHE A 74 5.239 -10.668 -1.059 1.00 0.00 N ATOM 1087 CA PHE A 74 4.642 -9.507 -1.709 1.00 0.00 C ATOM 1088 C PHE A 74 4.209 -8.470 -0.677 1.00 0.00 C ATOM 1089 O PHE A 74 4.470 -7.276 -0.834 1.00 0.00 O ATOM 1090 CB PHE A 74 3.441 -9.932 -2.556 1.00 0.00 C ATOM 1091 CG PHE A 74 2.632 -8.776 -3.071 1.00 0.00 C ATOM 1092 CD1 PHE A 74 3.111 -7.980 -4.099 1.00 0.00 C ATOM 1093 CD2 PHE A 74 1.391 -8.485 -2.526 1.00 0.00 C ATOM 1094 CE1 PHE A 74 2.369 -6.916 -4.575 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.644 -7.423 -2.998 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.134 -6.637 -4.023 1.00 0.00 C ATOM 0 H PHE A 74 4.735 -11.542 -1.211 1.00 0.00 H new ATOM 0 HA PHE A 74 5.394 -9.057 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.793 -10.524 -3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.797 -10.579 -1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.076 -8.194 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.004 -9.095 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.754 -6.304 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.322 -7.207 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.552 -5.805 -4.392 1.00 0.00 H new ATOM 1106 N LEU A 75 3.546 -8.933 0.377 1.00 0.00 N ATOM 1107 CA LEU A 75 3.076 -8.046 1.435 1.00 0.00 C ATOM 1108 C LEU A 75 4.249 -7.401 2.166 1.00 0.00 C ATOM 1109 O LEU A 75 4.356 -6.177 2.228 1.00 0.00 O ATOM 1110 CB LEU A 75 2.205 -8.819 2.426 1.00 0.00 C ATOM 1111 CG LEU A 75 0.738 -9.000 2.032 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.069 -10.033 2.925 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -0.001 -7.672 2.103 1.00 0.00 C ATOM 0 H LEU A 75 3.322 -9.918 0.522 1.00 0.00 H new ATOM 0 HA LEU A 75 2.480 -7.257 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.645 -9.805 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.242 -8.307 3.387 1.00 0.00 H new ATOM 0 HG LEU A 75 0.700 -9.360 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.974 -10.148 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.583 -10.989 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.118 -9.703 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.043 -7.820 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.047 -7.283 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.463 -6.960 1.420 1.00 0.00 H new ATOM 1125 N GLN A 76 5.126 -8.234 2.717 1.00 0.00 N ATOM 1126 CA GLN A 76 6.292 -7.744 3.443 1.00 0.00 C ATOM 1127 C GLN A 76 7.109 -6.788 2.579 1.00 0.00 C ATOM 1128 O GLN A 76 7.545 -5.735 3.043 1.00 0.00 O ATOM 1129 CB GLN A 76 7.166 -8.915 3.895 1.00 0.00 C ATOM 1130 CG GLN A 76 6.425 -9.936 4.743 1.00 0.00 C ATOM 1131 CD GLN A 76 7.328 -10.629 5.744 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.719 -10.044 6.755 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.665 -11.884 5.468 1.00 0.00 N ATOM 0 H GLN A 76 5.051 -9.250 2.675 1.00 0.00 H new ATOM 0 HA GLN A 76 5.941 -7.201 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.574 -9.413 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.012 -8.528 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.613 -9.440 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.971 -10.683 4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.318 -12.330 4.619 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.270 -12.401 6.105 1.00 0.00 H new ATOM 1142 N LYS A 77 7.313 -7.163 1.321 1.00 0.00 N ATOM 1143 CA LYS A 77 8.076 -6.339 0.391 1.00 0.00 C ATOM 1144 C LYS A 77 7.540 -4.911 0.362 1.00 0.00 C ATOM 1145 O LYS A 77 8.300 -3.955 0.204 1.00 0.00 O ATOM 1146 CB LYS A 77 8.027 -6.942 -1.015 1.00 0.00 C ATOM 1147 CG LYS A 77 9.141 -7.937 -1.288 1.00 0.00 C ATOM 1148 CD LYS A 77 9.112 -8.425 -2.727 1.00 0.00 C ATOM 1149 CE LYS A 77 9.896 -7.498 -3.645 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.627 -7.783 -5.082 1.00 0.00 N ATOM 0 H LYS A 77 6.960 -8.033 0.922 1.00 0.00 H new ATOM 0 HA LYS A 77 9.111 -6.313 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.066 -7.437 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.082 -6.138 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.105 -7.472 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.045 -8.787 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.530 -9.430 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.079 -8.490 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.635 -6.463 -3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.962 -7.607 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.179 -7.131 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.900 -8.763 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.614 -7.654 -5.278 1.00 0.00 H new ATOM 1164 N HIS A 78 6.227 -4.774 0.518 1.00 0.00 N ATOM 1165 CA HIS A 78 5.590 -3.462 0.512 1.00 0.00 C ATOM 1166 C HIS A 78 5.332 -2.976 1.935 1.00 0.00 C ATOM 1167 O HIS A 78 6.035 -2.101 2.440 1.00 0.00 O ATOM 1168 CB HIS A 78 4.275 -3.513 -0.267 1.00 0.00 C ATOM 1169 CG HIS A 78 4.451 -3.377 -1.748 1.00 0.00 C ATOM 1170 ND1 HIS A 78 4.678 -4.453 -2.581 1.00 0.00 N ATOM 1171 CD2 HIS A 78 4.429 -2.284 -2.546 1.00 0.00 C ATOM 1172 CE1 HIS A 78 4.791 -4.026 -3.826 1.00 0.00 C ATOM 1173 NE2 HIS A 78 4.643 -2.714 -3.832 1.00 0.00 N ATOM 0 H HIS A 78 5.584 -5.555 0.650 1.00 0.00 H new ATOM 0 HA HIS A 78 6.266 -2.760 0.024 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.772 -4.457 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.621 -2.716 0.088 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.748 -5.426 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.272 -1.263 -2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.973 -4.645 -4.692 1.00 0.00 H new ATOM 1181 N GLY A 79 4.319 -3.549 2.577 1.00 0.00 N ATOM 1182 CA GLY A 79 3.987 -3.161 3.935 1.00 0.00 C ATOM 1183 C GLY A 79 3.707 -1.677 4.062 1.00 0.00 C ATOM 1184 O GLY A 79 4.118 -0.886 3.214 1.00 0.00 O ATOM 0 H GLY A 79 3.722 -4.275 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.113 -3.722 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.809 -3.430 4.598 1.00 0.00 H new ATOM 1188 N ASN A 80 3.003 -1.298 5.124 1.00 0.00 N ATOM 1189 CA ASN A 80 2.666 0.102 5.358 1.00 0.00 C ATOM 1190 C ASN A 80 3.920 0.922 5.645 1.00 0.00 C ATOM 1191 O ASN A 80 3.867 2.149 5.720 1.00 0.00 O ATOM 1192 CB ASN A 80 1.685 0.224 6.525 1.00 0.00 C ATOM 1193 CG ASN A 80 0.372 -0.484 6.253 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.108 -0.916 5.131 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.459 -0.605 7.281 1.00 0.00 N ATOM 0 H ASN A 80 2.655 -1.940 5.836 1.00 0.00 H new ATOM 0 HA ASN A 80 2.196 0.493 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.140 -0.193 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.492 1.278 6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.358 -1.071 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.199 -0.232 8.194 1.00 0.00 H new ATOM 1202 N GLU A 81 5.047 0.235 5.804 1.00 0.00 N ATOM 1203 CA GLU A 81 6.314 0.901 6.083 1.00 0.00 C ATOM 1204 C GLU A 81 6.661 1.895 4.978 1.00 0.00 C ATOM 1205 O GLU A 81 6.762 3.098 5.219 1.00 0.00 O ATOM 1206 CB GLU A 81 7.436 -0.129 6.227 1.00 0.00 C ATOM 1207 CG GLU A 81 8.716 0.443 6.813 1.00 0.00 C ATOM 1208 CD GLU A 81 9.592 1.103 5.766 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.287 2.250 5.376 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.582 0.474 5.338 1.00 0.00 O ATOM 0 H GLU A 81 5.108 -0.781 5.744 1.00 0.00 H new ATOM 0 HA GLU A 81 6.209 1.447 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.089 -0.945 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.654 -0.556 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.465 1.172 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.277 -0.355 7.300 1.00 0.00 H new ATOM 1217 N VAL A 82 6.843 1.383 3.765 1.00 0.00 N ATOM 1218 CA VAL A 82 7.179 2.225 2.623 1.00 0.00 C ATOM 1219 C VAL A 82 5.921 2.720 1.917 1.00 0.00 C ATOM 1220 O VAL A 82 5.867 3.857 1.447 1.00 0.00 O ATOM 1221 CB VAL A 82 8.060 1.471 1.609 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.329 0.964 2.278 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.285 0.323 0.980 1.00 0.00 C ATOM 0 H VAL A 82 6.763 0.390 3.548 1.00 0.00 H new ATOM 0 HA VAL A 82 7.735 3.078 3.012 1.00 0.00 H new ATOM 0 HB VAL A 82 8.346 2.163 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.939 0.434 1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.892 1.808 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.066 0.287 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.923 -0.199 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.968 -0.371 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.408 0.715 0.464 1.00 0.00 H new ATOM 1233 N CYS A 83 4.912 1.859 1.846 1.00 0.00 N ATOM 1234 CA CYS A 83 3.654 2.208 1.196 1.00 0.00 C ATOM 1235 C CYS A 83 3.174 3.584 1.645 1.00 0.00 C ATOM 1236 O CYS A 83 3.153 4.533 0.861 1.00 0.00 O ATOM 1237 CB CYS A 83 2.587 1.156 1.505 1.00 0.00 C ATOM 1238 SG CYS A 83 2.690 -0.325 0.473 1.00 0.00 S ATOM 0 H CYS A 83 4.940 0.915 2.230 1.00 0.00 H new ATOM 0 HA CYS A 83 3.825 2.236 0.120 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.673 0.863 2.551 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.602 1.605 1.380 1.00 0.00 H new ATOM 0 HG CYS A 83 1.519 -0.885 0.399 1.00 0.00 H new ATOM 1244 N LYS A 84 2.786 3.685 2.912 1.00 0.00 N ATOM 1245 CA LYS A 84 2.305 4.945 3.467 1.00 0.00 C ATOM 1246 C LYS A 84 3.186 6.107 3.022 1.00 0.00 C ATOM 1247 O LYS A 84 2.734 7.000 2.305 1.00 0.00 O ATOM 1248 CB LYS A 84 2.272 4.873 4.996 1.00 0.00 C ATOM 1249 CG LYS A 84 1.474 5.992 5.641 1.00 0.00 C ATOM 1250 CD LYS A 84 0.920 5.575 6.993 1.00 0.00 C ATOM 1251 CE LYS A 84 2.034 5.236 7.971 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.504 4.921 9.327 1.00 0.00 N ATOM 0 H LYS A 84 2.795 2.909 3.574 1.00 0.00 H new ATOM 0 HA LYS A 84 1.295 5.115 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.847 3.915 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.294 4.902 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.109 6.870 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.654 6.280 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.309 6.380 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.268 4.711 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.600 4.384 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.727 6.075 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.294 4.695 9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.985 5.743 9.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.863 4.105 9.268 1.00 0.00 H new ATOM 1266 N GLN A 85 4.444 6.089 3.449 1.00 0.00 N ATOM 1267 CA GLN A 85 5.387 7.142 3.093 1.00 0.00 C ATOM 1268 C GLN A 85 5.292 7.478 1.608 1.00 0.00 C ATOM 1269 O GLN A 85 5.239 8.649 1.229 1.00 0.00 O ATOM 1270 CB GLN A 85 6.815 6.716 3.440 1.00 0.00 C ATOM 1271 CG GLN A 85 7.203 7.008 4.881 1.00 0.00 C ATOM 1272 CD GLN A 85 8.589 6.500 5.226 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.572 7.236 5.140 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.674 5.235 5.621 1.00 0.00 N ATOM 0 H GLN A 85 4.834 5.357 4.042 1.00 0.00 H new ATOM 0 HA GLN A 85 5.131 8.033 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.922 5.648 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.510 7.228 2.774 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.161 8.083 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.475 6.549 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.833 4.661 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.580 4.838 5.868 1.00 0.00 H new ATOM 1283 N ILE A 86 5.270 6.445 0.772 1.00 0.00 N ATOM 1284 CA ILE A 86 5.180 6.632 -0.670 1.00 0.00 C ATOM 1285 C ILE A 86 3.923 7.409 -1.047 1.00 0.00 C ATOM 1286 O ILE A 86 3.896 8.117 -2.053 1.00 0.00 O ATOM 1287 CB ILE A 86 5.178 5.283 -1.414 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.564 4.638 -1.348 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.746 5.476 -2.860 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.541 3.137 -1.528 1.00 0.00 C ATOM 0 H ILE A 86 5.313 5.470 1.069 1.00 0.00 H new ATOM 0 HA ILE A 86 6.060 7.202 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 86 4.464 4.618 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.198 5.078 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.020 4.874 -0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.750 4.514 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.741 5.897 -2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.437 6.155 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.558 2.748 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.934 2.686 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.115 2.894 -2.501 1.00 0.00 H new ATOM 1302 N TRP A 87 2.884 7.273 -0.231 1.00 0.00 N ATOM 1303 CA TRP A 87 1.623 7.964 -0.477 1.00 0.00 C ATOM 1304 C TRP A 87 1.579 9.296 0.263 1.00 0.00 C ATOM 1305 O TRP A 87 0.710 10.131 0.007 1.00 0.00 O ATOM 1306 CB TRP A 87 0.445 7.088 -0.047 1.00 0.00 C ATOM 1307 CG TRP A 87 0.262 5.875 -0.908 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.591 4.587 -0.592 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.293 5.836 -2.228 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.275 3.751 -1.635 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.270 4.493 -2.650 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.809 6.805 -3.092 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.741 4.098 -3.899 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.276 6.412 -4.331 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.241 5.068 -4.726 1.00 0.00 C ATOM 0 H TRP A 87 2.890 6.691 0.607 1.00 0.00 H new ATOM 0 HA TRP A 87 1.548 8.161 -1.546 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.594 6.773 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.468 7.683 -0.070 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.035 4.272 0.341 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.422 2.742 -1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.842 7.843 -2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.713 3.063 -4.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.675 7.154 -5.007 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.615 4.792 -5.701 1.00 0.00 H new ATOM 1326 N LEU A 88 2.519 9.489 1.181 1.00 0.00 N ATOM 1327 CA LEU A 88 2.587 10.722 1.958 1.00 0.00 C ATOM 1328 C LEU A 88 3.839 11.520 1.606 1.00 0.00 C ATOM 1329 O LEU A 88 4.264 12.392 2.361 1.00 0.00 O ATOM 1330 CB LEU A 88 2.575 10.405 3.455 1.00 0.00 C ATOM 1331 CG LEU A 88 1.632 9.286 3.897 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.127 9.539 5.308 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.466 9.157 2.927 1.00 0.00 C ATOM 0 H LEU A 88 3.244 8.808 1.406 1.00 0.00 H new ATOM 0 HA LEU A 88 1.713 11.326 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.588 10.140 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.308 11.313 3.996 1.00 0.00 H new ATOM 0 HG LEU A 88 2.187 8.348 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.457 8.732 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.972 9.580 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.589 10.486 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.195 8.356 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.088 10.095 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.845 8.928 1.931 1.00 0.00 H new ATOM 1345 N GLY A 89 4.423 11.215 0.451 1.00 0.00 N ATOM 1346 CA GLY A 89 5.618 11.914 0.017 1.00 0.00 C ATOM 1347 C GLY A 89 5.480 13.420 0.123 1.00 0.00 C ATOM 1348 O GLY A 89 6.460 14.126 0.365 1.00 0.00 O ATOM 0 H GLY A 89 4.090 10.496 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.465 11.587 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.838 11.644 -1.016 1.00 0.00 H new ATOM 1352 N LEU A 90 4.261 13.914 -0.059 1.00 0.00 N ATOM 1353 CA LEU A 90 3.997 15.347 0.015 1.00 0.00 C ATOM 1354 C LEU A 90 3.235 15.695 1.290 1.00 0.00 C ATOM 1355 O LEU A 90 3.430 16.763 1.871 1.00 0.00 O ATOM 1356 CB LEU A 90 3.202 15.804 -1.209 1.00 0.00 C ATOM 1357 CG LEU A 90 4.027 16.245 -2.419 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.117 16.599 -3.585 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.916 17.425 -2.057 1.00 0.00 C ATOM 0 H LEU A 90 3.439 13.344 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 90 4.955 15.867 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.548 14.988 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.559 16.632 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 90 4.665 15.415 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.722 16.910 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.523 15.728 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.453 17.413 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.496 17.725 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.297 18.260 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.594 17.137 -1.253 1.00 0.00 H new ATOM 1371 N PHE A 91 2.366 14.786 1.720 1.00 0.00 N ATOM 1372 CA PHE A 91 1.574 14.996 2.927 1.00 0.00 C ATOM 1373 C PHE A 91 2.463 15.420 4.093 1.00 0.00 C ATOM 1374 O PHE A 91 3.599 14.964 4.219 1.00 0.00 O ATOM 1375 CB PHE A 91 0.812 13.720 3.290 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.489 13.980 3.995 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.505 14.517 5.272 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.696 13.688 3.380 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.701 14.756 5.923 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.895 13.925 4.025 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.897 14.461 5.298 1.00 0.00 C ATOM 0 H PHE A 91 2.192 13.897 1.251 1.00 0.00 H new ATOM 0 HA PHE A 91 0.859 15.794 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.616 13.152 2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.443 13.098 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.427 14.752 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.700 13.270 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.700 15.173 6.919 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.829 13.692 3.535 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.832 14.649 5.804 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.590 13.567 8.382 1.00 0.00 N ATOM 1491 CA PRO A 99 -10.020 13.252 8.444 1.00 0.00 C ATOM 1492 C PRO A 99 -10.401 12.537 9.736 1.00 0.00 C ATOM 1493 O PRO A 99 -9.627 12.511 10.693 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.233 12.331 7.240 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.899 11.713 6.995 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.885 12.755 7.376 1.00 0.00 C ATOM 0 HA PRO A 99 -10.636 14.151 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.988 11.573 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.576 12.890 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.772 10.809 7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.788 11.424 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.981 12.305 7.785 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.582 13.354 6.517 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.596 11.957 9.756 1.00 0.00 N ATOM 1505 CA ASP A 100 -12.078 11.239 10.930 1.00 0.00 C ATOM 1506 C ASP A 100 -12.337 9.772 10.602 1.00 0.00 C ATOM 1507 O ASP A 100 -13.089 9.454 9.681 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.357 11.889 11.461 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.123 13.299 11.967 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.608 14.131 11.190 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -13.455 13.571 13.140 1.00 0.00 O ATOM 0 H ASP A 100 -12.249 11.970 8.972 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.307 11.290 11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.106 11.910 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.763 11.279 12.268 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.708 8.882 11.361 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.868 7.448 11.150 1.00 0.00 C ATOM 1518 C PHE A 101 -13.228 6.972 11.654 1.00 0.00 C ATOM 1519 O PHE A 101 -13.561 5.792 11.553 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.752 6.678 11.860 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.467 7.449 11.967 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.804 7.879 10.828 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.922 7.743 13.206 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.622 8.589 10.924 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.740 8.453 13.307 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.089 8.875 12.165 1.00 0.00 C ATOM 0 H PHE A 101 -11.082 9.128 12.128 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.809 7.256 10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.088 6.407 12.861 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.565 5.748 11.324 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.216 7.657 9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.426 7.414 14.103 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.116 8.920 10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.326 8.677 14.279 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.164 9.428 12.242 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.008 7.901 12.197 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.331 7.577 12.718 1.00 0.00 C ATOM 1538 C ARG A 102 -16.410 7.861 11.677 1.00 0.00 C ATOM 1539 O ARG A 102 -17.580 8.041 12.014 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.612 8.380 13.990 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.805 7.917 15.192 1.00 0.00 C ATOM 1542 CD ARG A 102 -13.341 8.306 15.064 1.00 0.00 C ATOM 1543 NE ARG A 102 -12.556 7.869 16.216 1.00 0.00 N ATOM 1544 CZ ARG A 102 -12.681 8.390 17.431 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -13.555 9.362 17.652 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -11.930 7.939 18.428 1.00 0.00 N ATOM 0 H ARG A 102 -13.747 8.883 12.288 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.350 6.513 12.955 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.396 9.432 13.801 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.674 8.310 14.227 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.220 8.354 16.100 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.888 6.835 15.292 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.927 7.867 14.156 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.261 9.388 14.960 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.874 7.123 16.080 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.133 9.711 16.888 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.649 9.761 18.586 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.256 7.192 18.261 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.027 8.340 19.361 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.008 7.898 10.411 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.940 8.159 9.320 1.00 0.00 C ATOM 1562 C ASP A 103 -16.365 7.683 7.990 1.00 0.00 C ATOM 1563 O ASP A 103 -15.236 8.005 7.622 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.265 9.652 9.245 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.683 9.912 8.776 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.618 9.714 9.579 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.858 10.314 7.606 1.00 0.00 O ATOM 0 H ASP A 103 -15.043 7.751 10.115 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.858 7.605 9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -17.122 10.102 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -16.565 10.140 8.566 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.160 6.895 7.250 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.752 6.357 5.949 1.00 0.00 C ATOM 1574 C PRO A 104 -16.660 7.438 4.877 1.00 0.00 C ATOM 1575 O PRO A 104 -15.952 7.280 3.883 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.865 5.363 5.611 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.054 5.855 6.363 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.519 6.471 7.626 1.00 0.00 C ATOM 0 HA PRO A 104 -15.759 5.909 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.059 5.335 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.597 4.351 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.611 6.587 5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.740 5.038 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.128 7.315 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.504 5.754 8.447 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.380 8.536 5.087 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.379 9.642 4.138 1.00 0.00 C ATOM 1588 C GLN A 105 -16.103 10.468 4.265 1.00 0.00 C ATOM 1589 O GLN A 105 -15.551 10.936 3.269 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.602 10.534 4.361 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.839 10.070 3.609 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.577 8.959 4.330 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.457 7.786 3.975 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -21.347 9.324 5.348 1.00 0.00 N ATOM 0 H GLN A 105 -17.971 8.683 5.905 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.421 9.224 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -18.827 10.568 5.427 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.360 11.551 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.512 10.916 3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.548 9.724 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.417 10.308 5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.869 8.620 5.871 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.638 10.643 5.497 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.426 11.411 5.756 1.00 0.00 C ATOM 1605 C LYS A 106 -13.183 10.599 5.409 1.00 0.00 C ATOM 1606 O LYS A 106 -12.210 11.132 4.876 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.374 11.841 7.224 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.319 12.983 7.557 1.00 0.00 C ATOM 1609 CD LYS A 106 -14.827 14.300 6.982 1.00 0.00 C ATOM 1610 CE LYS A 106 -15.944 15.330 6.912 1.00 0.00 C ATOM 1611 NZ LYS A 106 -15.610 16.448 5.986 1.00 0.00 N ATOM 0 H LYS A 106 -16.083 10.263 6.333 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.446 12.299 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.616 10.985 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.355 12.140 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.311 12.762 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.417 13.071 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.014 14.685 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.421 14.134 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.863 14.847 6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.134 15.728 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.396 17.129 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.747 16.925 6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.454 16.071 5.029 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.222 9.306 5.714 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.099 8.420 5.432 1.00 0.00 C ATOM 1627 C VAL A 107 -12.016 8.095 3.945 1.00 0.00 C ATOM 1628 O VAL A 107 -10.942 8.153 3.344 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.208 7.105 6.227 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.108 6.139 5.815 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.153 7.382 7.722 1.00 0.00 C ATOM 0 H VAL A 107 -14.019 8.849 6.156 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.195 8.947 5.738 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.168 6.642 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.201 5.216 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.198 5.917 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.135 6.590 6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.231 6.443 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.208 7.867 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.980 8.035 8.002 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.156 7.754 3.354 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.214 7.421 1.936 1.00 0.00 C ATOM 1643 C LYS A 108 -12.856 8.631 1.078 1.00 0.00 C ATOM 1644 O LYS A 108 -11.964 8.562 0.234 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.611 6.916 1.566 1.00 0.00 C ATOM 1646 CG LYS A 108 -14.691 6.313 0.174 1.00 0.00 C ATOM 1647 CD LYS A 108 -15.997 5.566 -0.036 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.326 5.422 -1.514 1.00 0.00 C ATOM 1649 NZ LYS A 108 -15.440 4.431 -2.184 1.00 0.00 N ATOM 0 H LYS A 108 -14.053 7.701 3.836 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.486 6.633 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.923 6.168 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.317 7.743 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.599 7.103 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -13.853 5.632 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.930 4.579 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.805 6.096 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.366 5.114 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.225 6.390 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -15.695 4.361 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -14.450 4.737 -2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.555 3.501 -1.732 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.558 9.738 1.302 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.312 10.962 0.550 1.00 0.00 C ATOM 1665 C GLU A 109 -11.835 11.343 0.597 1.00 0.00 C ATOM 1666 O GLU A 109 -11.269 11.802 -0.395 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.163 12.107 1.103 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.642 11.977 0.780 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.965 12.379 -0.646 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.180 13.151 -1.236 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -17.002 11.924 -1.171 1.00 0.00 O ATOM 0 H GLU A 109 -14.301 9.812 1.997 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.590 10.781 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.039 12.151 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.793 13.050 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.956 10.946 0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -16.216 12.598 1.468 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.217 11.149 1.757 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.806 11.473 1.935 1.00 0.00 C ATOM 1680 C PHE A 110 -8.920 10.438 1.249 1.00 0.00 C ATOM 1681 O PHE A 110 -7.944 10.785 0.581 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.463 11.549 3.425 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.986 11.578 3.699 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.222 10.429 3.575 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.363 12.755 4.080 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.863 10.453 3.825 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -6.004 12.785 4.332 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.254 11.632 4.206 1.00 0.00 C ATOM 0 H PHE A 110 -11.671 10.769 2.588 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.621 12.444 1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.921 12.442 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.902 10.692 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.694 9.504 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.945 13.659 4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.278 9.551 3.722 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.529 13.709 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.193 11.653 4.405 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.265 9.167 1.419 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.501 8.080 0.816 1.00 0.00 C ATOM 1700 C LEU A 111 -8.388 8.265 -0.693 1.00 0.00 C ATOM 1701 O LEU A 111 -7.373 7.919 -1.296 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.157 6.734 1.130 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.729 6.066 2.437 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.526 4.793 2.672 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.237 5.768 2.419 1.00 0.00 C ATOM 0 H LEU A 111 -10.068 8.863 1.969 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.497 8.095 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.237 6.876 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.945 6.049 0.309 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.932 6.754 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.207 4.332 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.588 5.034 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.355 4.100 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.950 5.293 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.009 5.099 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.682 6.698 2.298 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.438 8.813 -1.297 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.455 9.045 -2.737 1.00 0.00 C ATOM 1719 C GLN A 112 -8.418 10.091 -3.132 1.00 0.00 C ATOM 1720 O GLN A 112 -7.737 9.949 -4.147 1.00 0.00 O ATOM 1721 CB GLN A 112 -10.847 9.495 -3.185 1.00 0.00 C ATOM 1722 CG GLN A 112 -11.917 8.430 -3.009 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.189 8.749 -3.769 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.300 8.468 -4.963 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.157 9.341 -3.080 1.00 0.00 N ATOM 0 H GLN A 112 -10.287 9.104 -0.812 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.206 8.108 -3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.132 10.382 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.805 9.786 -4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.527 7.470 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.148 8.325 -1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.022 9.556 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.036 9.581 -3.539 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.304 11.140 -2.324 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.350 12.210 -2.591 1.00 0.00 C ATOM 1736 C GLU A 113 -5.923 11.670 -2.629 1.00 0.00 C ATOM 1737 O GLU A 113 -5.005 12.342 -3.099 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.465 13.304 -1.528 1.00 0.00 C ATOM 1739 CG GLU A 113 -8.889 13.782 -1.298 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.544 14.296 -2.565 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.941 15.159 -3.237 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.659 13.834 -2.885 1.00 0.00 O ATOM 0 H GLU A 113 -8.860 11.272 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.585 12.636 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.060 12.929 -0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.849 14.153 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.483 12.962 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.886 14.573 -0.548 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.745 10.451 -2.130 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.432 9.818 -2.106 1.00 0.00 C ATOM 1751 C LYS A 114 -4.374 8.647 -3.081 1.00 0.00 C ATOM 1752 O LYS A 114 -3.298 8.257 -3.535 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.102 9.335 -0.692 1.00 0.00 C ATOM 1754 CG LYS A 114 -2.919 8.384 -0.635 1.00 0.00 C ATOM 1755 CD LYS A 114 -2.866 7.638 0.688 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.047 8.394 1.722 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.887 9.331 2.518 1.00 0.00 N ATOM 0 H LYS A 114 -6.494 9.882 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.694 10.559 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.894 10.199 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.977 8.838 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.986 7.669 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.994 8.944 -0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.878 7.488 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.434 6.649 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.562 7.683 2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.256 8.952 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.367 10.218 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.768 9.531 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.114 8.899 3.436 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.538 8.092 -3.401 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.619 6.965 -4.323 1.00 0.00 C ATOM 1773 C TYR A 115 -6.148 7.410 -5.683 1.00 0.00 C ATOM 1774 O TYR A 115 -5.533 7.147 -6.716 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.520 5.872 -3.746 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.864 5.062 -2.650 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.568 4.583 -2.794 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.540 4.778 -1.470 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.966 3.842 -1.796 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.945 4.039 -0.466 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.658 3.573 -0.634 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.061 2.837 0.364 1.00 0.00 O ATOM 0 H TYR A 115 -6.438 8.404 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.614 6.566 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.428 6.331 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.824 5.201 -4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.022 4.794 -3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.548 5.141 -1.335 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.958 3.475 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.485 3.827 0.445 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.736 3.440 1.065 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.291 8.088 -5.673 1.00 0.00 N ATOM 1793 CA GLU A 116 -7.903 8.570 -6.905 1.00 0.00 C ATOM 1794 C GLU A 116 -7.174 9.805 -7.428 1.00 0.00 C ATOM 1795 O GLU A 116 -6.663 9.811 -8.548 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.380 8.897 -6.674 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.310 7.720 -6.918 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.192 7.166 -8.325 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.831 7.729 -9.238 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -9.462 6.170 -8.512 1.00 0.00 O ATOM 0 H GLU A 116 -7.812 8.316 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.826 7.780 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.510 9.246 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.668 9.719 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.087 6.930 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.339 8.032 -6.739 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.130 10.850 -6.609 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.464 12.091 -6.986 1.00 0.00 C ATOM 1809 C LYS A 117 -4.949 11.951 -6.873 1.00 0.00 C ATOM 1810 O LYS A 117 -4.198 12.707 -7.489 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.948 13.243 -6.102 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.453 13.266 -5.903 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.162 13.912 -7.081 1.00 0.00 C ATOM 1814 CE LYS A 117 -9.470 12.898 -8.172 1.00 0.00 C ATOM 1815 NZ LYS A 117 -9.503 13.526 -9.521 1.00 0.00 N ATOM 0 H LYS A 117 -7.548 10.862 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.715 12.308 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.462 13.172 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.634 14.188 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.819 12.248 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.692 13.811 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.089 14.374 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -8.540 14.709 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -8.718 12.109 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.431 12.426 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.716 12.801 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.238 14.261 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.578 13.955 -9.727 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.507 10.978 -6.084 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.082 10.737 -5.892 1.00 0.00 C ATOM 1831 C LYS A 118 -2.339 12.043 -5.628 1.00 0.00 C ATOM 1832 O LYS A 118 -1.211 12.229 -6.085 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.492 10.041 -7.121 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.043 8.645 -7.353 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.541 8.058 -8.661 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.188 7.386 -8.488 1.00 0.00 C ATOM 1837 NZ LYS A 118 -0.438 7.309 -9.772 1.00 0.00 N ATOM 0 H LYS A 118 -5.115 10.343 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.962 10.090 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.688 10.651 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.409 9.981 -7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.752 7.996 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.132 8.680 -7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.263 7.333 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -2.463 8.847 -9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -0.599 7.939 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.330 6.381 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 0.484 7.779 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -0.291 6.312 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.982 7.783 -10.521 1.00 0.00 H new ATOM 1851 N ARG A 119 -2.978 12.943 -4.888 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.377 14.231 -4.563 1.00 0.00 C ATOM 1853 C ARG A 119 -0.931 14.057 -4.110 1.00 0.00 C ATOM 1854 O ARG A 119 0.001 14.450 -4.812 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.185 14.933 -3.470 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.122 16.450 -3.546 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.331 17.091 -2.884 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.531 18.469 -3.327 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.399 19.302 -2.765 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.143 18.901 -1.743 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.524 20.541 -3.224 1.00 0.00 N ATOM 0 H ARG A 119 -3.912 12.804 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.386 14.846 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.226 14.617 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.819 14.611 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.211 16.802 -3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.069 16.761 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.222 16.505 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.204 17.073 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.974 18.810 -4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.049 17.950 -1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.809 19.544 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.953 20.854 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.191 21.180 -2.792 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.752 13.467 -2.934 1.00 0.00 N ATOM 1876 CA TRP A 120 0.582 13.242 -2.387 1.00 0.00 C ATOM 1877 C TRP A 120 1.149 11.911 -2.867 1.00 0.00 C ATOM 1878 O TRP A 120 1.485 11.042 -2.061 1.00 0.00 O ATOM 1879 CB TRP A 120 0.539 13.271 -0.858 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.422 14.282 -0.310 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.178 15.607 -0.083 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.779 14.049 0.083 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.301 16.211 0.427 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.297 15.278 0.537 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.606 12.924 0.094 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.605 15.409 0.997 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -3.904 13.055 0.551 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.393 14.290 0.997 1.00 0.00 C ATOM 0 H TRP A 120 -1.513 13.136 -2.341 1.00 0.00 H new ATOM 0 HA TRP A 120 1.233 14.041 -2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.264 12.282 -0.491 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.538 13.486 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.760 16.106 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.380 17.195 0.682 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.238 11.968 -0.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.984 16.360 1.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.552 12.191 0.565 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.412 14.360 1.348 1.00 0.00 H new ATOM 1899 N TYR A 121 1.255 11.757 -4.182 1.00 0.00 N ATOM 1900 CA TYR A 121 1.780 10.530 -4.768 1.00 0.00 C ATOM 1901 C TYR A 121 3.229 10.714 -5.209 1.00 0.00 C ATOM 1902 O TYR A 121 3.518 11.473 -6.134 1.00 0.00 O ATOM 1903 CB TYR A 121 0.924 10.103 -5.961 1.00 0.00 C ATOM 1904 CG TYR A 121 1.566 9.034 -6.816 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.914 7.802 -6.278 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.825 9.257 -8.163 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.502 6.823 -7.056 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.412 8.284 -8.949 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.749 7.069 -8.390 1.00 0.00 C ATOM 1910 OH TYR A 121 3.333 6.096 -9.168 1.00 0.00 O ATOM 0 H TYR A 121 0.984 12.467 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 121 1.746 9.751 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.036 9.737 -5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.717 10.976 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.722 7.606 -5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.563 10.208 -8.603 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.767 5.870 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.606 8.474 -9.994 1.00 0.00 H new ATOM 0 HH TYR A 121 3.437 6.428 -10.084 1.00 0.00 H new ATOM 1920 N VAL A 122 4.138 10.013 -4.538 1.00 0.00 N ATOM 1921 CA VAL A 122 5.558 10.096 -4.860 1.00 0.00 C ATOM 1922 C VAL A 122 6.203 8.715 -4.859 1.00 0.00 C ATOM 1923 O VAL A 122 6.399 8.095 -3.813 1.00 0.00 O ATOM 1924 CB VAL A 122 6.307 11.002 -3.864 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.804 10.964 -4.130 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.779 12.427 -3.939 1.00 0.00 C ATOM 0 H VAL A 122 3.916 9.381 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 122 5.632 10.527 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 122 6.132 10.627 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.317 11.610 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.167 9.942 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.002 11.313 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.319 13.053 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.922 12.815 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.717 12.435 -3.695 1.00 0.00 H new ATOM 1936 N PRO A 123 6.544 8.221 -6.058 1.00 0.00 N ATOM 1937 CA PRO A 123 7.174 6.907 -6.223 1.00 0.00 C ATOM 1938 C PRO A 123 8.605 6.881 -5.696 1.00 0.00 C ATOM 1939 O PRO A 123 9.321 7.882 -5.724 1.00 0.00 O ATOM 1940 CB PRO A 123 7.158 6.694 -7.738 1.00 0.00 C ATOM 1941 CG PRO A 123 7.129 8.067 -8.314 1.00 0.00 C ATOM 1942 CD PRO A 123 6.341 8.905 -7.346 1.00 0.00 C ATOM 0 HA PRO A 123 6.651 6.131 -5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 123 8.039 6.144 -8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.287 6.117 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 123 8.138 8.459 -8.438 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.663 8.067 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.703 9.933 -7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.286 8.947 -7.617 1.00 0.00 H new ATOM 1950 N PRO A 124 9.034 5.709 -5.205 1.00 0.00 N ATOM 1951 CA PRO A 124 10.384 5.524 -4.663 1.00 0.00 C ATOM 1952 C PRO A 124 11.455 5.573 -5.747 1.00 0.00 C ATOM 1953 O PRO A 124 12.495 6.207 -5.575 1.00 0.00 O ATOM 1954 CB PRO A 124 10.325 4.130 -4.033 1.00 0.00 C ATOM 1955 CG PRO A 124 9.247 3.422 -4.778 1.00 0.00 C ATOM 1956 CD PRO A 124 8.235 4.474 -5.140 1.00 0.00 C ATOM 0 HA PRO A 124 10.653 6.313 -3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.279 3.611 -4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.099 4.186 -2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.643 2.937 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.796 2.642 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.753 4.257 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.445 4.546 -4.392 1.00 0.00 H new ATOM 1964 N GLU A 125 11.192 4.900 -6.864 1.00 0.00 N ATOM 1965 CA GLU A 125 12.135 4.868 -7.975 1.00 0.00 C ATOM 1966 C GLU A 125 12.524 6.282 -8.400 1.00 0.00 C ATOM 1967 O GLU A 125 13.513 6.478 -9.106 1.00 0.00 O ATOM 1968 CB GLU A 125 11.533 4.115 -9.163 1.00 0.00 C ATOM 1969 CG GLU A 125 10.180 4.650 -9.601 1.00 0.00 C ATOM 1970 CD GLU A 125 9.026 3.978 -8.882 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.275 3.296 -7.867 1.00 0.00 O ATOM 1972 OE2 GLU A 125 7.874 4.134 -9.337 1.00 0.00 O ATOM 0 H GLU A 125 10.335 4.371 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 125 13.032 4.347 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 125 12.225 4.168 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.430 3.062 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.141 5.724 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.067 4.506 -10.676 1.00 0.00 H new ATOM 1979 N GLN A 126 11.738 7.261 -7.964 1.00 0.00 N ATOM 1980 CA GLN A 126 11.999 8.656 -8.301 1.00 0.00 C ATOM 1981 C GLN A 126 12.417 9.445 -7.064 1.00 0.00 C ATOM 1982 O GLN A 126 13.376 10.215 -7.102 1.00 0.00 O ATOM 1983 CB GLN A 126 10.759 9.292 -8.930 1.00 0.00 C ATOM 1984 CG GLN A 126 11.036 10.622 -9.612 1.00 0.00 C ATOM 1985 CD GLN A 126 11.798 11.585 -8.723 1.00 0.00 C ATOM 1986 OE1 GLN A 126 13.003 11.777 -8.886 1.00 0.00 O ATOM 1987 NE2 GLN A 126 11.097 12.198 -7.776 1.00 0.00 N ATOM 0 H GLN A 126 10.916 7.115 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 126 12.817 8.683 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.337 8.601 -9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.005 9.440 -8.157 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.606 10.447 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 126 10.091 11.077 -9.909 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.100 12.009 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 126 11.556 12.858 -7.148 1.00 0.00 H new