USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot 13:sc= 0.745 USER MOD Single : A 9 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.51) USER MOD Single : A 10 THR OG1 : rot -120:sc= -0.807 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 38:sc= -0.489 USER MOD Single : A 16 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= 0.167 K(o=0.17,f=-2.2!) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.345 (180deg=-1.16!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -100:sc= 0.525 USER MOD Single : A 27 SER OG : rot 180:sc= -0.556 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 34 SER OG : rot 60:sc= -3.05! USER MOD Single : A 36 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.44!) USER MOD Single : A 37 CYS SG : rot 96:sc= -0.262 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0648) USER MOD Single : A 43 SER OG : rot 19:sc= 1.04 USER MOD Single : A 47 CYS SG : rot 180:sc= -0.0266 USER MOD Single : A 55 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.4!) USER MOD Single : A 56 GLN : amide:sc= -0.732 K(o=-0.73,f=-2.6) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.131 K(o=0.13,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 152:sc= -3.88! (180deg=-5.09!) USER MOD Single : A 68 ASN : amide:sc= -0.832 K(o=-0.83,f=-1.4!) USER MOD Single : A 74 ASN : amide:sc= 1.07 K(o=1.1,f=-0.46) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=0.000886 USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= -0.282 (180deg=-1.37) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.476 14.352 0.246 1.00 0.00 N ATOM 78 CA HIS A 9 7.567 13.225 0.076 1.00 0.00 C ATOM 79 C HIS A 9 6.650 13.078 1.287 1.00 0.00 C ATOM 80 O HIS A 9 6.869 13.705 2.325 1.00 0.00 O ATOM 81 CB HIS A 9 8.357 11.934 -0.139 1.00 0.00 C ATOM 82 CG HIS A 9 8.650 11.644 -1.579 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.670 12.254 -2.277 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.050 10.802 -2.453 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.685 11.802 -3.518 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.711 10.918 -3.651 1.00 0.00 N ATOM 0 HA HIS A 9 6.951 13.417 -0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.297 11.997 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.797 11.100 0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.208 10.158 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.375 12.103 -4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.487 10.406 -4.504 1.00 0.00 H new ATOM 94 N THR A 10 5.622 12.246 1.149 1.00 0.00 N ATOM 95 CA THR A 10 4.672 12.019 2.230 1.00 0.00 C ATOM 96 C THR A 10 4.402 10.530 2.421 1.00 0.00 C ATOM 97 O THR A 10 3.811 9.881 1.557 1.00 0.00 O ATOM 98 CB THR A 10 3.338 12.741 1.966 1.00 0.00 C ATOM 99 OG1 THR A 10 3.585 14.079 1.520 1.00 0.00 O ATOM 100 CG2 THR A 10 2.481 12.771 3.223 1.00 0.00 C ATOM 0 H THR A 10 5.427 11.718 0.298 1.00 0.00 H new ATOM 0 HA THR A 10 5.122 12.423 3.137 1.00 0.00 H new ATOM 0 HB THR A 10 2.801 12.193 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.173 14.713 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.544 13.286 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.270 11.751 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.014 13.298 4.014 1.00 0.00 H new ATOM 108 N LEU A 11 4.838 9.996 3.556 1.00 0.00 N ATOM 109 CA LEU A 11 4.642 8.583 3.861 1.00 0.00 C ATOM 110 C LEU A 11 3.397 8.378 4.717 1.00 0.00 C ATOM 111 O LEU A 11 3.069 9.209 5.565 1.00 0.00 O ATOM 112 CB LEU A 11 5.869 8.021 4.582 1.00 0.00 C ATOM 113 CG LEU A 11 7.178 8.039 3.791 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.364 8.210 4.728 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.323 6.765 2.972 1.00 0.00 C ATOM 0 H LEU A 11 5.329 10.520 4.280 1.00 0.00 H new ATOM 0 HA LEU A 11 4.505 8.050 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.016 8.587 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.656 6.992 4.871 1.00 0.00 H new ATOM 0 HG LEU A 11 7.156 8.887 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.287 8.221 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.266 9.150 5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.390 7.382 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.260 6.795 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.324 5.902 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.489 6.684 2.275 1.00 0.00 H new ATOM 127 N LEU A 12 2.707 7.265 4.492 1.00 0.00 N ATOM 128 CA LEU A 12 1.498 6.948 5.245 1.00 0.00 C ATOM 129 C LEU A 12 1.717 5.733 6.141 1.00 0.00 C ATOM 130 O LEU A 12 2.577 4.895 5.868 1.00 0.00 O ATOM 131 CB LEU A 12 0.332 6.689 4.290 1.00 0.00 C ATOM 132 CG LEU A 12 -0.291 7.925 3.640 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.618 7.572 2.986 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.478 9.031 4.668 1.00 0.00 C ATOM 0 H LEU A 12 2.964 6.567 3.794 1.00 0.00 H new ATOM 0 HA LEU A 12 1.258 7.803 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.677 6.023 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.448 6.158 4.836 1.00 0.00 H new ATOM 0 HG LEU A 12 0.387 8.286 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.047 8.464 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.456 6.814 2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.304 7.185 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.922 9.903 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.135 8.681 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.490 9.303 5.090 1.00 0.00 H new ATOM 146 N TYR A 13 0.932 5.644 7.209 1.00 0.00 N ATOM 147 CA TYR A 13 1.040 4.531 8.145 1.00 0.00 C ATOM 148 C TYR A 13 -0.299 3.817 8.300 1.00 0.00 C ATOM 149 O TYR A 13 -1.259 4.381 8.827 1.00 0.00 O ATOM 150 CB TYR A 13 1.526 5.029 9.507 1.00 0.00 C ATOM 151 CG TYR A 13 2.875 5.710 9.457 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.822 5.350 8.507 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.202 6.714 10.360 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.056 5.969 8.458 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.433 7.340 10.318 1.00 0.00 C ATOM 156 CZ TYR A 13 5.357 6.963 9.365 1.00 0.00 C ATOM 157 OH TYR A 13 6.584 7.584 9.319 1.00 0.00 O ATOM 0 H TYR A 13 0.215 6.329 7.448 1.00 0.00 H new ATOM 0 HA TYR A 13 1.765 3.822 7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.792 5.725 9.913 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.580 4.185 10.195 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.590 4.573 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.481 7.010 11.108 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.781 5.676 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.671 8.120 11.027 1.00 0.00 H new ATOM 0 HH TYR A 13 6.635 8.261 10.026 1.00 0.00 H new ATOM 167 N VAL A 14 -0.357 2.573 7.837 1.00 0.00 N ATOM 168 CA VAL A 14 -1.577 1.780 7.924 1.00 0.00 C ATOM 169 C VAL A 14 -1.576 0.905 9.173 1.00 0.00 C ATOM 170 O VAL A 14 -0.526 0.439 9.616 1.00 0.00 O ATOM 171 CB VAL A 14 -1.755 0.884 6.684 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.060 0.108 6.768 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.701 1.718 5.413 1.00 0.00 C ATOM 0 H VAL A 14 0.428 2.092 7.397 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.408 2.484 7.977 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.936 0.166 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.168 -0.519 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.053 -0.520 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.895 0.806 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.828 1.069 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.499 2.461 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.737 2.223 5.350 1.00 0.00 H new ATOM 183 N TYR A 15 -2.758 0.687 9.737 1.00 0.00 N ATOM 184 CA TYR A 15 -2.894 -0.130 10.937 1.00 0.00 C ATOM 185 C TYR A 15 -4.133 -1.016 10.855 1.00 0.00 C ATOM 186 O TYR A 15 -4.937 -0.894 9.932 1.00 0.00 O ATOM 187 CB TYR A 15 -2.970 0.759 12.179 1.00 0.00 C ATOM 188 CG TYR A 15 -1.860 1.783 12.259 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.970 3.008 11.613 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.702 1.525 12.983 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.959 3.946 11.684 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.314 2.458 13.060 1.00 0.00 C ATOM 193 CZ TYR A 15 0.181 3.666 12.408 1.00 0.00 C ATOM 194 OH TYR A 15 1.191 4.599 12.482 1.00 0.00 O ATOM 0 H TYR A 15 -3.637 1.065 9.382 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.015 -0.771 11.011 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.930 1.275 12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.938 0.130 13.069 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.862 3.231 11.046 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.595 0.580 13.494 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.060 4.893 11.176 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.207 2.243 13.628 1.00 0.00 H new ATOM 0 HH TYR A 15 0.803 5.496 12.553 1.00 0.00 H new ATOM 204 N ASN A 16 -4.280 -1.908 11.829 1.00 0.00 N ATOM 205 CA ASN A 16 -5.421 -2.816 11.869 1.00 0.00 C ATOM 206 C ASN A 16 -5.474 -3.680 10.613 1.00 0.00 C ATOM 207 O ASN A 16 -6.491 -3.727 9.921 1.00 0.00 O ATOM 208 CB ASN A 16 -6.723 -2.025 12.013 1.00 0.00 C ATOM 209 CG ASN A 16 -6.953 -1.542 13.432 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.004 -1.261 14.165 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.217 -1.443 13.826 1.00 0.00 N ATOM 0 H ASN A 16 -3.623 -2.022 12.601 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.303 -3.470 12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.700 -1.168 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.561 -2.651 11.705 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.433 -1.123 14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.972 -1.687 13.185 1.00 0.00 H new ATOM 218 N LEU A 17 -4.370 -4.361 10.324 1.00 0.00 N ATOM 219 CA LEU A 17 -4.290 -5.225 9.151 1.00 0.00 C ATOM 220 C LEU A 17 -4.514 -6.684 9.533 1.00 0.00 C ATOM 221 O LEU A 17 -4.160 -7.127 10.626 1.00 0.00 O ATOM 222 CB LEU A 17 -2.929 -5.067 8.470 1.00 0.00 C ATOM 223 CG LEU A 17 -2.753 -3.820 7.603 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.285 -3.433 7.517 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.328 -4.051 6.213 1.00 0.00 C ATOM 0 H LEU A 17 -3.519 -4.332 10.885 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.075 -4.927 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.158 -5.061 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.752 -5.945 7.849 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.298 -2.998 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.179 -2.543 6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.904 -3.225 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.718 -4.253 7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.194 -3.153 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.812 -4.886 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.391 -4.279 6.292 1.00 0.00 H new ATOM 237 N PRO A 18 -5.115 -7.452 8.611 1.00 0.00 N ATOM 238 CA PRO A 18 -5.397 -8.874 8.827 1.00 0.00 C ATOM 239 C PRO A 18 -4.129 -9.720 8.848 1.00 0.00 C ATOM 240 O PRO A 18 -3.738 -10.294 7.832 1.00 0.00 O ATOM 241 CB PRO A 18 -6.271 -9.248 7.627 1.00 0.00 C ATOM 242 CG PRO A 18 -5.900 -8.268 6.568 1.00 0.00 C ATOM 243 CD PRO A 18 -5.564 -6.990 7.286 1.00 0.00 C ATOM 0 HA PRO A 18 -5.873 -9.054 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.082 -10.271 7.303 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.331 -9.182 7.873 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.049 -8.624 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.723 -8.118 5.869 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.783 -6.432 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.430 -6.332 7.362 1.00 0.00 H new ATOM 251 N ALA A 19 -3.491 -9.794 10.011 1.00 0.00 N ATOM 252 CA ALA A 19 -2.269 -10.572 10.164 1.00 0.00 C ATOM 253 C ALA A 19 -2.431 -11.970 9.576 1.00 0.00 C ATOM 254 O ALA A 19 -1.540 -12.473 8.894 1.00 0.00 O ATOM 255 CB ALA A 19 -1.877 -10.657 11.632 1.00 0.00 C ATOM 0 H ALA A 19 -3.801 -9.324 10.862 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.474 -10.065 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.962 -11.241 11.731 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.711 -9.653 12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.677 -11.138 12.195 1.00 0.00 H new ATOM 261 N ASN A 20 -3.574 -12.592 9.847 1.00 0.00 N ATOM 262 CA ASN A 20 -3.851 -13.933 9.345 1.00 0.00 C ATOM 263 C ASN A 20 -3.673 -13.995 7.831 1.00 0.00 C ATOM 264 O ASN A 20 -3.082 -14.937 7.303 1.00 0.00 O ATOM 265 CB ASN A 20 -5.273 -14.356 9.720 1.00 0.00 C ATOM 266 CG ASN A 20 -5.515 -14.309 11.217 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.562 -13.234 11.816 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.670 -15.477 11.828 1.00 0.00 N ATOM 0 H ASN A 20 -4.323 -12.189 10.411 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.141 -14.620 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.987 -13.703 9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.456 -15.367 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.836 -15.508 12.834 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.623 -16.343 11.292 1.00 0.00 H new ATOM 275 N LYS A 21 -4.188 -12.985 7.138 1.00 0.00 N ATOM 276 CA LYS A 21 -4.084 -12.922 5.685 1.00 0.00 C ATOM 277 C LYS A 21 -2.632 -12.753 5.250 1.00 0.00 C ATOM 278 O LYS A 21 -2.018 -11.715 5.495 1.00 0.00 O ATOM 279 CB LYS A 21 -4.929 -11.767 5.143 1.00 0.00 C ATOM 280 CG LYS A 21 -6.409 -11.894 5.460 1.00 0.00 C ATOM 281 CD LYS A 21 -7.159 -12.604 4.347 1.00 0.00 C ATOM 282 CE LYS A 21 -7.005 -14.114 4.445 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.237 -14.606 5.832 1.00 0.00 N ATOM 0 H LYS A 21 -4.682 -12.198 7.560 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.459 -13.861 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.557 -10.830 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.801 -11.711 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.536 -12.443 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.836 -10.903 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.216 -12.341 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.788 -12.261 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.709 -14.596 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.004 -14.399 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.590 -15.584 5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.344 -14.578 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.939 -14.000 6.302 1.00 0.00 H new ATOM 297 N ASP A 22 -2.091 -13.778 4.602 1.00 0.00 N ATOM 298 CA ASP A 22 -0.711 -13.742 4.130 1.00 0.00 C ATOM 299 C ASP A 22 -0.418 -12.428 3.412 1.00 0.00 C ATOM 300 O ASP A 22 -1.112 -12.057 2.466 1.00 0.00 O ATOM 301 CB ASP A 22 -0.438 -14.921 3.194 1.00 0.00 C ATOM 302 CG ASP A 22 -0.224 -16.219 3.947 1.00 0.00 C ATOM 303 OD1 ASP A 22 0.881 -16.410 4.496 1.00 0.00 O ATOM 304 OD2 ASP A 22 -1.160 -17.045 3.987 1.00 0.00 O ATOM 0 H ASP A 22 -2.586 -14.644 4.391 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.054 -13.817 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.276 -15.037 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.443 -14.705 2.590 1.00 0.00 H new ATOM 309 N GLY A 23 0.617 -11.728 3.868 1.00 0.00 N ATOM 310 CA GLY A 23 0.983 -10.463 3.259 1.00 0.00 C ATOM 311 C GLY A 23 0.771 -10.460 1.758 1.00 0.00 C ATOM 312 O GLY A 23 0.397 -9.440 1.178 1.00 0.00 O ATOM 0 H GLY A 23 1.208 -12.015 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.394 -9.663 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.029 -10.248 3.476 1.00 0.00 H new ATOM 316 N LYS A 24 1.010 -11.603 1.125 1.00 0.00 N ATOM 317 CA LYS A 24 0.843 -11.729 -0.318 1.00 0.00 C ATOM 318 C LYS A 24 -0.463 -11.086 -0.773 1.00 0.00 C ATOM 319 O LYS A 24 -0.472 -10.251 -1.678 1.00 0.00 O ATOM 320 CB LYS A 24 0.868 -13.204 -0.728 1.00 0.00 C ATOM 321 CG LYS A 24 2.213 -13.874 -0.508 1.00 0.00 C ATOM 322 CD LYS A 24 3.218 -13.469 -1.573 1.00 0.00 C ATOM 323 CE LYS A 24 3.085 -14.329 -2.821 1.00 0.00 C ATOM 324 NZ LYS A 24 4.343 -14.349 -3.617 1.00 0.00 N ATOM 0 H LYS A 24 1.320 -12.457 1.589 1.00 0.00 H new ATOM 0 HA LYS A 24 1.671 -11.210 -0.801 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.107 -13.742 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.600 -13.284 -1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.597 -13.607 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.087 -14.957 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.070 -12.421 -1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.228 -13.559 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.820 -15.347 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.271 -13.950 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.212 -14.945 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.582 -13.381 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.115 -14.735 -3.037 1.00 0.00 H new ATOM 338 N SER A 25 -1.563 -11.479 -0.139 1.00 0.00 N ATOM 339 CA SER A 25 -2.875 -10.941 -0.480 1.00 0.00 C ATOM 340 C SER A 25 -3.035 -9.520 0.050 1.00 0.00 C ATOM 341 O SER A 25 -3.543 -8.639 -0.645 1.00 0.00 O ATOM 342 CB SER A 25 -3.979 -11.836 0.086 1.00 0.00 C ATOM 343 OG SER A 25 -5.149 -11.769 -0.710 1.00 0.00 O ATOM 0 H SER A 25 -1.572 -12.168 0.613 1.00 0.00 H new ATOM 0 HA SER A 25 -2.958 -10.916 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.627 -12.866 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.212 -11.531 1.106 1.00 0.00 H new ATOM 0 HG SER A 25 -5.799 -11.170 -0.286 1.00 0.00 H new ATOM 349 N VAL A 26 -2.597 -9.303 1.286 1.00 0.00 N ATOM 350 CA VAL A 26 -2.689 -7.989 1.910 1.00 0.00 C ATOM 351 C VAL A 26 -1.997 -6.928 1.063 1.00 0.00 C ATOM 352 O VAL A 26 -2.652 -6.095 0.435 1.00 0.00 O ATOM 353 CB VAL A 26 -2.067 -7.992 3.319 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.301 -6.657 4.010 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.629 -9.136 4.148 1.00 0.00 C ATOM 0 H VAL A 26 -2.175 -10.021 1.875 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.750 -7.750 1.990 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.991 -8.139 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.854 -6.679 5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.844 -5.859 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.372 -6.475 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.178 -9.122 5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.709 -9.023 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.403 -10.084 3.660 1.00 0.00 H new ATOM 365 N SER A 27 -0.668 -6.963 1.048 1.00 0.00 N ATOM 366 CA SER A 27 0.114 -6.002 0.280 1.00 0.00 C ATOM 367 C SER A 27 -0.508 -5.770 -1.094 1.00 0.00 C ATOM 368 O SER A 27 -0.539 -4.645 -1.591 1.00 0.00 O ATOM 369 CB SER A 27 1.554 -6.494 0.123 1.00 0.00 C ATOM 370 OG SER A 27 2.417 -5.435 -0.254 1.00 0.00 O ATOM 0 H SER A 27 -0.111 -7.647 1.559 1.00 0.00 H new ATOM 0 HA SER A 27 0.117 -5.057 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.897 -6.930 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.592 -7.283 -0.628 1.00 0.00 H new ATOM 0 HG SER A 27 3.331 -5.775 -0.346 1.00 0.00 H new ATOM 376 N ASN A 28 -1.003 -6.844 -1.701 1.00 0.00 N ATOM 377 CA ASN A 28 -1.624 -6.758 -3.018 1.00 0.00 C ATOM 378 C ASN A 28 -2.906 -5.932 -2.963 1.00 0.00 C ATOM 379 O ASN A 28 -3.190 -5.147 -3.867 1.00 0.00 O ATOM 380 CB ASN A 28 -1.930 -8.159 -3.553 1.00 0.00 C ATOM 381 CG ASN A 28 -0.782 -8.732 -4.362 1.00 0.00 C ATOM 382 OD1 ASN A 28 0.384 -8.441 -4.098 1.00 0.00 O ATOM 383 ND2 ASN A 28 -1.110 -9.552 -5.354 1.00 0.00 N ATOM 0 H ASN A 28 -0.986 -7.783 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.923 -6.264 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.150 -8.824 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.825 -8.120 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.381 -9.969 -5.933 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.091 -9.765 -5.537 1.00 0.00 H new ATOM 390 N ARG A 29 -3.675 -6.115 -1.894 1.00 0.00 N ATOM 391 CA ARG A 29 -4.927 -5.387 -1.721 1.00 0.00 C ATOM 392 C ARG A 29 -4.668 -3.892 -1.560 1.00 0.00 C ATOM 393 O ARG A 29 -5.392 -3.063 -2.114 1.00 0.00 O ATOM 394 CB ARG A 29 -5.685 -5.918 -0.503 1.00 0.00 C ATOM 395 CG ARG A 29 -6.923 -5.108 -0.155 1.00 0.00 C ATOM 396 CD ARG A 29 -7.965 -5.180 -1.261 1.00 0.00 C ATOM 397 NE ARG A 29 -9.312 -4.924 -0.760 1.00 0.00 N ATOM 398 CZ ARG A 29 -10.413 -5.117 -1.479 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.325 -5.565 -2.724 1.00 0.00 N ATOM 400 NH2 ARG A 29 -11.604 -4.861 -0.954 1.00 0.00 N ATOM 0 H ARG A 29 -3.453 -6.760 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.534 -5.539 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.978 -6.951 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.014 -5.927 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.352 -5.479 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.643 -4.068 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.722 -4.453 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.932 -6.165 -1.726 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.414 -4.578 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.411 -5.762 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.171 -5.712 -3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.676 -4.515 0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.448 -5.010 -1.507 1.00 0.00 H new ATOM 414 N LEU A 30 -3.634 -3.554 -0.799 1.00 0.00 N ATOM 415 CA LEU A 30 -3.280 -2.158 -0.564 1.00 0.00 C ATOM 416 C LEU A 30 -2.566 -1.567 -1.776 1.00 0.00 C ATOM 417 O LEU A 30 -2.736 -0.390 -2.096 1.00 0.00 O ATOM 418 CB LEU A 30 -2.391 -2.038 0.675 1.00 0.00 C ATOM 419 CG LEU A 30 -3.080 -2.266 2.020 1.00 0.00 C ATOM 420 CD1 LEU A 30 -3.203 -3.754 2.312 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.320 -1.563 3.135 1.00 0.00 C ATOM 0 H LEU A 30 -3.025 -4.227 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.200 -1.598 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.574 -2.754 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.944 -1.044 0.682 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.083 -1.843 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.696 -3.897 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.791 -4.231 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.210 -4.202 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.825 -1.736 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.305 -1.956 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.285 -0.492 2.933 1.00 0.00 H new ATOM 433 N ARG A 31 -1.768 -2.391 -2.446 1.00 0.00 N ATOM 434 CA ARG A 31 -1.029 -1.950 -3.623 1.00 0.00 C ATOM 435 C ARG A 31 -1.950 -1.233 -4.606 1.00 0.00 C ATOM 436 O ARG A 31 -1.609 -0.172 -5.129 1.00 0.00 O ATOM 437 CB ARG A 31 -0.362 -3.143 -4.310 1.00 0.00 C ATOM 438 CG ARG A 31 1.040 -3.435 -3.800 1.00 0.00 C ATOM 439 CD ARG A 31 1.611 -4.696 -4.430 1.00 0.00 C ATOM 440 NE ARG A 31 2.010 -4.482 -5.818 1.00 0.00 N ATOM 441 CZ ARG A 31 1.172 -4.570 -6.845 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.104 -4.868 -6.641 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.611 -4.362 -8.080 1.00 0.00 N ATOM 0 H ARG A 31 -1.616 -3.368 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.259 -1.251 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.983 -4.027 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.317 -2.955 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.692 -2.590 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.018 -3.546 -2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.473 -5.031 -3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.868 -5.492 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 31 2.985 -4.252 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.445 -5.030 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.745 -4.935 -7.432 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.592 -4.134 -8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.967 -4.430 -8.868 1.00 0.00 H new ATOM 457 N ARG A 32 -3.116 -1.820 -4.852 1.00 0.00 N ATOM 458 CA ARG A 32 -4.085 -1.238 -5.773 1.00 0.00 C ATOM 459 C ARG A 32 -4.606 0.094 -5.244 1.00 0.00 C ATOM 460 O ARG A 32 -4.761 1.056 -5.997 1.00 0.00 O ATOM 461 CB ARG A 32 -5.252 -2.203 -5.996 1.00 0.00 C ATOM 462 CG ARG A 32 -5.044 -3.150 -7.166 1.00 0.00 C ATOM 463 CD ARG A 32 -5.599 -2.570 -8.458 1.00 0.00 C ATOM 464 NE ARG A 32 -5.526 -3.523 -9.562 1.00 0.00 N ATOM 465 CZ ARG A 32 -6.410 -4.495 -9.753 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.430 -4.641 -8.919 1.00 0.00 N ATOM 467 NH2 ARG A 32 -6.276 -5.323 -10.781 1.00 0.00 N ATOM 0 H ARG A 32 -3.413 -2.698 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.583 -1.060 -6.724 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.407 -2.788 -5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.162 -1.627 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.980 -3.354 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.530 -4.103 -6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.636 -2.271 -8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.043 -1.670 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.754 -3.437 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.537 -4.006 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.108 -5.389 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.493 -5.213 -11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.956 -6.069 -10.927 1.00 0.00 H new ATOM 481 N LEU A 33 -4.876 0.144 -3.944 1.00 0.00 N ATOM 482 CA LEU A 33 -5.380 1.358 -3.313 1.00 0.00 C ATOM 483 C LEU A 33 -4.323 2.458 -3.326 1.00 0.00 C ATOM 484 O LEU A 33 -4.646 3.644 -3.257 1.00 0.00 O ATOM 485 CB LEU A 33 -5.813 1.068 -1.875 1.00 0.00 C ATOM 486 CG LEU A 33 -7.058 0.196 -1.712 1.00 0.00 C ATOM 487 CD1 LEU A 33 -7.028 -0.535 -0.378 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.319 1.039 -1.830 1.00 0.00 C ATOM 0 H LEU A 33 -4.754 -0.643 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.243 1.702 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.985 0.584 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.991 2.018 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.064 -0.546 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.922 -1.150 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.143 -1.170 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.997 0.191 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.195 0.402 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.319 1.804 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.347 1.516 -2.810 1.00 0.00 H new ATOM 500 N SER A 34 -3.060 2.056 -3.416 1.00 0.00 N ATOM 501 CA SER A 34 -1.955 3.007 -3.436 1.00 0.00 C ATOM 502 C SER A 34 -1.581 3.375 -4.869 1.00 0.00 C ATOM 503 O SER A 34 -1.141 4.492 -5.140 1.00 0.00 O ATOM 504 CB SER A 34 -0.739 2.425 -2.713 1.00 0.00 C ATOM 505 OG SER A 34 0.303 3.381 -2.615 1.00 0.00 O ATOM 0 H SER A 34 -2.776 1.078 -3.476 1.00 0.00 H new ATOM 0 HA SER A 34 -2.277 3.911 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.029 2.095 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.381 1.546 -3.248 1.00 0.00 H new ATOM 0 HG SER A 34 -0.015 4.162 -2.116 1.00 0.00 H new ATOM 511 N ASP A 35 -1.759 2.427 -5.782 1.00 0.00 N ATOM 512 CA ASP A 35 -1.442 2.649 -7.188 1.00 0.00 C ATOM 513 C ASP A 35 -2.377 3.689 -7.798 1.00 0.00 C ATOM 514 O ASP A 35 -2.022 4.369 -8.760 1.00 0.00 O ATOM 515 CB ASP A 35 -1.539 1.338 -7.969 1.00 0.00 C ATOM 516 CG ASP A 35 -1.116 1.493 -9.416 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.249 2.348 -9.693 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.651 0.758 -10.272 1.00 0.00 O ATOM 0 H ASP A 35 -2.121 1.497 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.420 3.024 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.913 0.586 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.565 0.971 -7.931 1.00 0.00 H new ATOM 523 N ASN A 36 -3.573 3.807 -7.231 1.00 0.00 N ATOM 524 CA ASN A 36 -4.560 4.763 -7.720 1.00 0.00 C ATOM 525 C ASN A 36 -4.448 6.089 -6.975 1.00 0.00 C ATOM 526 O ASN A 36 -4.622 7.159 -7.561 1.00 0.00 O ATOM 527 CB ASN A 36 -5.972 4.195 -7.564 1.00 0.00 C ATOM 528 CG ASN A 36 -6.981 4.903 -8.448 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.827 6.083 -8.761 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.021 4.183 -8.853 1.00 0.00 N ATOM 0 H ASN A 36 -3.882 3.253 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.363 4.943 -8.777 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.962 3.133 -7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.282 4.281 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.733 4.606 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.108 3.207 -8.569 1.00 0.00 H new ATOM 537 N CYS A 37 -4.156 6.012 -5.682 1.00 0.00 N ATOM 538 CA CYS A 37 -4.021 7.207 -4.856 1.00 0.00 C ATOM 539 C CYS A 37 -2.670 7.876 -5.085 1.00 0.00 C ATOM 540 O CYS A 37 -2.385 8.932 -4.522 1.00 0.00 O ATOM 541 CB CYS A 37 -4.183 6.851 -3.377 1.00 0.00 C ATOM 542 SG CYS A 37 -5.813 6.197 -2.949 1.00 0.00 S ATOM 0 H CYS A 37 -4.008 5.135 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.806 7.907 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.426 6.115 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.991 7.741 -2.777 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.776 4.898 -2.962 1.00 0.00 H new ATOM 548 N GLY A 38 -1.840 7.253 -5.916 1.00 0.00 N ATOM 549 CA GLY A 38 -0.528 7.802 -6.204 1.00 0.00 C ATOM 550 C GLY A 38 0.473 7.523 -5.100 1.00 0.00 C ATOM 551 O GLY A 38 0.993 8.448 -4.477 1.00 0.00 O ATOM 0 H GLY A 38 -2.053 6.378 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.159 7.381 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.612 8.879 -6.350 1.00 0.00 H new ATOM 555 N GLY A 39 0.741 6.244 -4.855 1.00 0.00 N ATOM 556 CA GLY A 39 1.683 5.869 -3.817 1.00 0.00 C ATOM 557 C GLY A 39 2.285 4.498 -4.049 1.00 0.00 C ATOM 558 O GLY A 39 2.006 3.850 -5.058 1.00 0.00 O ATOM 0 H GLY A 39 0.322 5.461 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.481 6.610 -3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.179 5.882 -2.851 1.00 0.00 H new ATOM 562 N LYS A 40 3.117 4.053 -3.112 1.00 0.00 N ATOM 563 CA LYS A 40 3.762 2.749 -3.218 1.00 0.00 C ATOM 564 C LYS A 40 4.029 2.161 -1.836 1.00 0.00 C ATOM 565 O LYS A 40 4.786 2.725 -1.046 1.00 0.00 O ATOM 566 CB LYS A 40 5.074 2.868 -3.996 1.00 0.00 C ATOM 567 CG LYS A 40 5.697 1.528 -4.346 1.00 0.00 C ATOM 568 CD LYS A 40 6.793 1.678 -5.388 1.00 0.00 C ATOM 569 CE LYS A 40 8.106 2.117 -4.757 1.00 0.00 C ATOM 570 NZ LYS A 40 8.770 1.002 -4.027 1.00 0.00 N ATOM 0 H LYS A 40 3.360 4.576 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 40 3.089 2.080 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.893 3.426 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.785 3.447 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.109 1.071 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.927 0.854 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.936 0.730 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.486 2.408 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.774 2.492 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.921 2.942 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.733 1.288 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.224 0.773 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.817 0.164 -4.641 1.00 0.00 H new ATOM 584 N VAL A 41 3.403 1.023 -1.551 1.00 0.00 N ATOM 585 CA VAL A 41 3.576 0.357 -0.266 1.00 0.00 C ATOM 586 C VAL A 41 5.037 -0.005 -0.026 1.00 0.00 C ATOM 587 O VAL A 41 5.504 -1.063 -0.451 1.00 0.00 O ATOM 588 CB VAL A 41 2.720 -0.921 -0.177 1.00 0.00 C ATOM 589 CG1 VAL A 41 3.024 -1.849 -1.343 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.953 -1.625 1.151 1.00 0.00 C ATOM 0 H VAL A 41 2.772 0.544 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 41 3.249 1.059 0.501 1.00 0.00 H new ATOM 0 HB VAL A 41 1.669 -0.639 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.410 -2.746 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.802 -1.340 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.078 -2.127 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.341 -2.526 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.005 -1.896 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.680 -0.958 1.969 1.00 0.00 H new ATOM 600 N LEU A 42 5.756 0.879 0.656 1.00 0.00 N ATOM 601 CA LEU A 42 7.166 0.653 0.954 1.00 0.00 C ATOM 602 C LEU A 42 7.376 -0.719 1.587 1.00 0.00 C ATOM 603 O LEU A 42 8.166 -1.525 1.097 1.00 0.00 O ATOM 604 CB LEU A 42 7.692 1.744 1.888 1.00 0.00 C ATOM 605 CG LEU A 42 7.850 3.136 1.274 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.547 4.073 2.247 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.620 3.055 -0.036 1.00 0.00 C ATOM 0 H LEU A 42 5.386 1.760 1.013 1.00 0.00 H new ATOM 0 HA LEU A 42 7.720 0.689 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.018 1.820 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.661 1.427 2.274 1.00 0.00 H new ATOM 0 HG LEU A 42 6.858 3.536 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.650 5.058 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.957 4.155 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.534 3.679 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.723 4.054 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.609 2.635 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.080 2.418 -0.737 1.00 0.00 H new ATOM 619 N SER A 43 6.661 -0.977 2.677 1.00 0.00 N ATOM 620 CA SER A 43 6.770 -2.251 3.378 1.00 0.00 C ATOM 621 C SER A 43 5.549 -2.491 4.262 1.00 0.00 C ATOM 622 O SER A 43 4.743 -1.587 4.484 1.00 0.00 O ATOM 623 CB SER A 43 8.042 -2.283 4.227 1.00 0.00 C ATOM 624 OG SER A 43 9.179 -2.566 3.430 1.00 0.00 O ATOM 0 H SER A 43 6.000 -0.321 3.094 1.00 0.00 H new ATOM 0 HA SER A 43 6.819 -3.045 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.174 -1.323 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.944 -3.038 5.007 1.00 0.00 H new ATOM 0 HG SER A 43 8.974 -2.380 2.490 1.00 0.00 H new ATOM 630 N ILE A 44 5.421 -3.715 4.763 1.00 0.00 N ATOM 631 CA ILE A 44 4.300 -4.074 5.624 1.00 0.00 C ATOM 632 C ILE A 44 4.772 -4.865 6.839 1.00 0.00 C ATOM 633 O ILE A 44 5.045 -6.062 6.748 1.00 0.00 O ATOM 634 CB ILE A 44 3.249 -4.903 4.862 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.629 -4.071 3.737 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.173 -5.399 5.816 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.192 -4.896 2.547 1.00 0.00 C ATOM 0 H ILE A 44 6.079 -4.475 4.588 1.00 0.00 H new ATOM 0 HA ILE A 44 3.844 -3.141 5.956 1.00 0.00 H new ATOM 0 HB ILE A 44 3.742 -5.769 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.768 -3.529 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.352 -3.325 3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.438 -5.983 5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.628 -6.023 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.681 -4.547 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.762 -4.242 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.053 -5.418 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.445 -5.624 2.864 1.00 0.00 H new ATOM 649 N THR A 45 4.864 -4.187 7.980 1.00 0.00 N ATOM 650 CA THR A 45 5.302 -4.826 9.214 1.00 0.00 C ATOM 651 C THR A 45 4.121 -5.109 10.135 1.00 0.00 C ATOM 652 O THR A 45 3.239 -4.269 10.307 1.00 0.00 O ATOM 653 CB THR A 45 6.326 -3.954 9.965 1.00 0.00 C ATOM 654 OG1 THR A 45 5.667 -2.837 10.573 1.00 0.00 O ATOM 655 CG2 THR A 45 7.410 -3.456 9.020 1.00 0.00 C ATOM 0 H THR A 45 4.641 -3.196 8.074 1.00 0.00 H new ATOM 0 HA THR A 45 5.774 -5.767 8.933 1.00 0.00 H new ATOM 0 HB THR A 45 6.792 -4.565 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.325 -2.289 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.121 -2.843 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.930 -4.308 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.957 -2.860 8.228 1.00 0.00 H new ATOM 663 N GLY A 46 4.110 -6.300 10.727 1.00 0.00 N ATOM 664 CA GLY A 46 3.032 -6.672 11.624 1.00 0.00 C ATOM 665 C GLY A 46 1.668 -6.297 11.079 1.00 0.00 C ATOM 666 O GLY A 46 1.395 -6.478 9.892 1.00 0.00 O ATOM 0 H GLY A 46 4.828 -7.013 10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.066 -7.747 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.181 -6.185 12.588 1.00 0.00 H new ATOM 670 N CYS A 47 0.809 -5.775 11.948 1.00 0.00 N ATOM 671 CA CYS A 47 -0.535 -5.375 11.547 1.00 0.00 C ATOM 672 C CYS A 47 -0.542 -3.945 11.017 1.00 0.00 C ATOM 673 O CYS A 47 -1.589 -3.302 10.951 1.00 0.00 O ATOM 674 CB CYS A 47 -1.499 -5.498 12.728 1.00 0.00 C ATOM 675 SG CYS A 47 -1.520 -7.135 13.496 1.00 0.00 S ATOM 0 H CYS A 47 1.019 -5.619 12.934 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.862 -6.041 10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.229 -4.758 13.482 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.506 -5.255 12.388 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.363 -7.139 14.486 1.00 0.00 H new ATOM 681 N SER A 48 0.635 -3.452 10.642 1.00 0.00 N ATOM 682 CA SER A 48 0.765 -2.096 10.123 1.00 0.00 C ATOM 683 C SER A 48 1.556 -2.088 8.818 1.00 0.00 C ATOM 684 O SER A 48 2.240 -3.056 8.488 1.00 0.00 O ATOM 685 CB SER A 48 1.451 -1.197 11.153 1.00 0.00 C ATOM 686 OG SER A 48 2.637 -1.798 11.646 1.00 0.00 O ATOM 0 H SER A 48 1.511 -3.972 10.688 1.00 0.00 H new ATOM 0 HA SER A 48 -0.235 -1.712 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.689 -0.235 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.769 -1.000 11.980 1.00 0.00 H new ATOM 0 HG SER A 48 2.874 -2.565 11.083 1.00 0.00 H new ATOM 692 N ALA A 49 1.454 -0.988 8.079 1.00 0.00 N ATOM 693 CA ALA A 49 2.160 -0.851 6.811 1.00 0.00 C ATOM 694 C ALA A 49 2.620 0.586 6.591 1.00 0.00 C ATOM 695 O ALA A 49 2.203 1.497 7.307 1.00 0.00 O ATOM 696 CB ALA A 49 1.273 -1.306 5.662 1.00 0.00 C ATOM 0 H ALA A 49 0.889 -0.179 8.337 1.00 0.00 H new ATOM 0 HA ALA A 49 3.045 -1.486 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.813 -1.198 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.999 -2.351 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.371 -0.695 5.635 1.00 0.00 H new ATOM 702 N ILE A 50 3.480 0.781 5.597 1.00 0.00 N ATOM 703 CA ILE A 50 3.995 2.108 5.283 1.00 0.00 C ATOM 704 C ILE A 50 4.028 2.342 3.776 1.00 0.00 C ATOM 705 O ILE A 50 4.574 1.535 3.023 1.00 0.00 O ATOM 706 CB ILE A 50 5.411 2.312 5.854 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.391 2.196 7.379 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.964 3.664 5.428 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.764 2.025 7.990 1.00 0.00 C ATOM 0 H ILE A 50 3.835 0.037 4.996 1.00 0.00 H new ATOM 0 HA ILE A 50 3.319 2.827 5.746 1.00 0.00 H new ATOM 0 HB ILE A 50 6.062 1.533 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.925 3.088 7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.768 1.348 7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.965 3.794 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.010 3.712 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.314 4.456 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.673 1.950 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.225 1.117 7.600 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.384 2.885 7.737 1.00 0.00 H new ATOM 721 N LEU A 51 3.442 3.453 3.343 1.00 0.00 N ATOM 722 CA LEU A 51 3.405 3.796 1.926 1.00 0.00 C ATOM 723 C LEU A 51 4.227 5.050 1.648 1.00 0.00 C ATOM 724 O LEU A 51 4.601 5.777 2.569 1.00 0.00 O ATOM 725 CB LEU A 51 1.961 4.008 1.469 1.00 0.00 C ATOM 726 CG LEU A 51 1.046 2.785 1.549 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.359 2.720 2.904 1.00 0.00 C ATOM 728 CD2 LEU A 51 0.016 2.815 0.429 1.00 0.00 C ATOM 0 H LEU A 51 2.986 4.132 3.953 1.00 0.00 H new ATOM 0 HA LEU A 51 3.839 2.967 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.524 4.804 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.975 4.360 0.437 1.00 0.00 H new ATOM 0 HG LEU A 51 1.657 1.890 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.288 1.843 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.111 2.651 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.239 3.619 3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.626 1.937 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.590 3.717 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.526 2.813 -0.534 1.00 0.00 H new ATOM 740 N ARG A 52 4.504 5.299 0.372 1.00 0.00 N ATOM 741 CA ARG A 52 5.281 6.466 -0.028 1.00 0.00 C ATOM 742 C ARG A 52 4.542 7.273 -1.091 1.00 0.00 C ATOM 743 O ARG A 52 4.345 6.806 -2.214 1.00 0.00 O ATOM 744 CB ARG A 52 6.650 6.037 -0.557 1.00 0.00 C ATOM 745 CG ARG A 52 7.460 7.179 -1.148 1.00 0.00 C ATOM 746 CD ARG A 52 8.319 7.858 -0.093 1.00 0.00 C ATOM 747 NE ARG A 52 9.522 8.455 -0.667 1.00 0.00 N ATOM 748 CZ ARG A 52 10.622 7.765 -0.949 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.670 6.461 -0.712 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.676 8.379 -1.470 1.00 0.00 N ATOM 0 H ARG A 52 4.202 4.708 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 52 5.420 7.097 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.218 5.582 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.512 5.269 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.096 6.799 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.787 7.910 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.735 8.630 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.603 7.130 0.667 1.00 0.00 H new ATOM 0 HE ARG A 52 9.518 9.456 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.861 5.985 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.516 5.934 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.643 9.382 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.520 7.849 -1.686 1.00 0.00 H new ATOM 764 N PHE A 53 4.136 8.486 -0.731 1.00 0.00 N ATOM 765 CA PHE A 53 3.418 9.357 -1.654 1.00 0.00 C ATOM 766 C PHE A 53 4.284 10.543 -2.068 1.00 0.00 C ATOM 767 O PHE A 53 5.145 10.991 -1.310 1.00 0.00 O ATOM 768 CB PHE A 53 2.122 9.858 -1.012 1.00 0.00 C ATOM 769 CG PHE A 53 1.126 8.766 -0.743 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.225 7.985 0.397 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.091 8.521 -1.631 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.310 6.980 0.647 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.828 7.518 -1.386 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.717 6.746 -0.246 1.00 0.00 C ATOM 0 H PHE A 53 4.292 8.888 0.193 1.00 0.00 H new ATOM 0 HA PHE A 53 3.175 8.778 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.361 10.360 -0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.666 10.602 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.027 8.164 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.001 9.121 -2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.398 6.378 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.632 7.338 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.433 5.960 -0.053 1.00 0.00 H new ATOM 784 N ILE A 54 4.050 11.045 -3.276 1.00 0.00 N ATOM 785 CA ILE A 54 4.808 12.179 -3.791 1.00 0.00 C ATOM 786 C ILE A 54 4.628 13.408 -2.907 1.00 0.00 C ATOM 787 O ILE A 54 5.599 14.062 -2.529 1.00 0.00 O ATOM 788 CB ILE A 54 4.389 12.529 -5.231 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.089 13.809 -5.692 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.878 12.684 -5.319 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.362 13.846 -7.179 1.00 0.00 C ATOM 0 H ILE A 54 3.342 10.685 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 54 5.857 11.884 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 54 4.691 11.715 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.474 14.667 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.032 13.911 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.597 12.931 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.399 11.750 -5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.555 13.482 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.860 14.782 -7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.003 13.008 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.420 13.775 -7.724 1.00 0.00 H new ATOM 803 N ASN A 55 3.377 13.716 -2.580 1.00 0.00 N ATOM 804 CA ASN A 55 3.068 14.867 -1.739 1.00 0.00 C ATOM 805 C ASN A 55 1.920 14.552 -0.785 1.00 0.00 C ATOM 806 O ASN A 55 1.299 13.493 -0.876 1.00 0.00 O ATOM 807 CB ASN A 55 2.709 16.077 -2.605 1.00 0.00 C ATOM 808 CG ASN A 55 3.934 16.749 -3.195 1.00 0.00 C ATOM 809 OD1 ASN A 55 5.032 16.655 -2.647 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.750 17.432 -4.319 1.00 0.00 N ATOM 0 H ASN A 55 2.561 13.185 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 55 3.954 15.101 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.048 15.760 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.156 16.799 -2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.537 17.905 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.822 17.483 -4.739 1.00 0.00 H new ATOM 817 N GLN A 56 1.644 15.478 0.127 1.00 0.00 N ATOM 818 CA GLN A 56 0.570 15.299 1.097 1.00 0.00 C ATOM 819 C GLN A 56 -0.744 14.964 0.398 1.00 0.00 C ATOM 820 O GLN A 56 -1.335 13.911 0.637 1.00 0.00 O ATOM 821 CB GLN A 56 0.404 16.561 1.945 1.00 0.00 C ATOM 822 CG GLN A 56 -0.656 16.431 3.027 1.00 0.00 C ATOM 823 CD GLN A 56 -0.111 15.830 4.308 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.034 15.378 4.357 1.00 0.00 O ATOM 825 NE2 GLN A 56 -0.929 15.822 5.354 1.00 0.00 N ATOM 0 H GLN A 56 2.149 16.360 0.215 1.00 0.00 H new ATOM 0 HA GLN A 56 0.837 14.466 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.359 16.804 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.146 17.396 1.293 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.074 17.415 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.473 15.811 2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.870 16.207 5.269 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.617 15.431 6.243 1.00 0.00 H new ATOM 834 N ASP A 57 -1.197 15.868 -0.464 1.00 0.00 N ATOM 835 CA ASP A 57 -2.441 15.669 -1.198 1.00 0.00 C ATOM 836 C ASP A 57 -2.596 14.210 -1.619 1.00 0.00 C ATOM 837 O ASP A 57 -3.444 13.489 -1.092 1.00 0.00 O ATOM 838 CB ASP A 57 -2.482 16.575 -2.429 1.00 0.00 C ATOM 839 CG ASP A 57 -3.851 16.605 -3.080 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.477 15.530 -3.195 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.297 17.702 -3.476 1.00 0.00 O ATOM 0 H ASP A 57 -0.721 16.746 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.269 15.928 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.197 17.587 -2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.745 16.231 -3.155 1.00 0.00 H new ATOM 846 N SER A 58 -1.773 13.783 -2.571 1.00 0.00 N ATOM 847 CA SER A 58 -1.822 12.413 -3.066 1.00 0.00 C ATOM 848 C SER A 58 -1.990 11.425 -1.915 1.00 0.00 C ATOM 849 O SER A 58 -2.747 10.460 -2.016 1.00 0.00 O ATOM 850 CB SER A 58 -0.551 12.086 -3.851 1.00 0.00 C ATOM 851 OG SER A 58 -0.648 12.540 -5.190 1.00 0.00 O ATOM 0 H SER A 58 -1.064 14.367 -3.015 1.00 0.00 H new ATOM 0 HA SER A 58 -2.683 12.323 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.308 12.550 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.380 11.010 -3.840 1.00 0.00 H new ATOM 0 HG SER A 58 0.177 12.321 -5.670 1.00 0.00 H new ATOM 857 N ALA A 59 -1.278 11.675 -0.821 1.00 0.00 N ATOM 858 CA ALA A 59 -1.349 10.810 0.351 1.00 0.00 C ATOM 859 C ALA A 59 -2.731 10.869 0.993 1.00 0.00 C ATOM 860 O ALA A 59 -3.288 9.843 1.382 1.00 0.00 O ATOM 861 CB ALA A 59 -0.279 11.199 1.359 1.00 0.00 C ATOM 0 H ALA A 59 -0.646 12.469 -0.722 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.171 9.784 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.344 10.545 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.705 11.098 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.431 12.233 1.670 1.00 0.00 H new ATOM 867 N GLU A 60 -3.277 12.076 1.102 1.00 0.00 N ATOM 868 CA GLU A 60 -4.594 12.266 1.700 1.00 0.00 C ATOM 869 C GLU A 60 -5.625 11.350 1.048 1.00 0.00 C ATOM 870 O GLU A 60 -6.152 10.438 1.685 1.00 0.00 O ATOM 871 CB GLU A 60 -5.033 13.726 1.564 1.00 0.00 C ATOM 872 CG GLU A 60 -4.035 14.718 2.135 1.00 0.00 C ATOM 873 CD GLU A 60 -4.694 15.992 2.626 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.399 15.936 3.656 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.506 17.045 1.981 1.00 0.00 O ATOM 0 H GLU A 60 -2.829 12.936 0.785 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.526 12.011 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.194 13.951 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.991 13.857 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.496 14.251 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.298 14.966 1.372 1.00 0.00 H new ATOM 882 N ARG A 61 -5.909 11.600 -0.226 1.00 0.00 N ATOM 883 CA ARG A 61 -6.878 10.800 -0.965 1.00 0.00 C ATOM 884 C ARG A 61 -6.817 9.337 -0.533 1.00 0.00 C ATOM 885 O ARG A 61 -7.840 8.658 -0.459 1.00 0.00 O ATOM 886 CB ARG A 61 -6.622 10.910 -2.469 1.00 0.00 C ATOM 887 CG ARG A 61 -6.657 12.337 -2.990 1.00 0.00 C ATOM 888 CD ARG A 61 -6.821 12.375 -4.501 1.00 0.00 C ATOM 889 NE ARG A 61 -8.214 12.204 -4.906 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.687 12.580 -6.088 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.883 13.146 -6.978 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.967 12.391 -6.383 1.00 0.00 N ATOM 0 H ARG A 61 -5.481 12.351 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.873 11.185 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.650 10.473 -2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.369 10.320 -3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.479 12.877 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.737 12.850 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.447 13.325 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.214 11.590 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.859 11.772 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.899 13.293 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.249 13.434 -7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.589 11.956 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.329 12.680 -7.292 1.00 0.00 H new ATOM 906 N ALA A 62 -5.609 8.859 -0.250 1.00 0.00 N ATOM 907 CA ALA A 62 -5.414 7.479 0.175 1.00 0.00 C ATOM 908 C ALA A 62 -5.751 7.307 1.652 1.00 0.00 C ATOM 909 O ALA A 62 -6.414 6.344 2.038 1.00 0.00 O ATOM 910 CB ALA A 62 -3.983 7.040 -0.097 1.00 0.00 C ATOM 0 H ALA A 62 -4.751 9.408 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.091 6.848 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.852 6.007 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.776 7.116 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.295 7.682 0.453 1.00 0.00 H new ATOM 916 N GLN A 63 -5.290 8.245 2.473 1.00 0.00 N ATOM 917 CA GLN A 63 -5.541 8.195 3.908 1.00 0.00 C ATOM 918 C GLN A 63 -7.027 8.367 4.206 1.00 0.00 C ATOM 919 O GLN A 63 -7.514 7.946 5.256 1.00 0.00 O ATOM 920 CB GLN A 63 -4.736 9.279 4.626 1.00 0.00 C ATOM 921 CG GLN A 63 -4.797 9.178 6.142 1.00 0.00 C ATOM 922 CD GLN A 63 -5.960 9.952 6.732 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.605 10.744 6.045 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.234 9.726 8.011 1.00 0.00 N ATOM 0 H GLN A 63 -4.741 9.049 2.169 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.226 7.217 4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.695 9.218 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.106 10.258 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.880 8.130 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.865 9.552 6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.673 9.061 8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.006 10.218 8.462 1.00 0.00 H new ATOM 933 N LYS A 64 -7.744 8.990 3.277 1.00 0.00 N ATOM 934 CA LYS A 64 -9.175 9.218 3.438 1.00 0.00 C ATOM 935 C LYS A 64 -9.980 8.068 2.843 1.00 0.00 C ATOM 936 O LYS A 64 -11.121 7.827 3.237 1.00 0.00 O ATOM 937 CB LYS A 64 -9.580 10.536 2.774 1.00 0.00 C ATOM 938 CG LYS A 64 -9.205 10.617 1.305 1.00 0.00 C ATOM 939 CD LYS A 64 -10.273 9.996 0.421 1.00 0.00 C ATOM 940 CE LYS A 64 -11.513 10.874 0.345 1.00 0.00 C ATOM 941 NZ LYS A 64 -11.468 11.798 -0.822 1.00 0.00 N ATOM 0 H LYS A 64 -7.357 9.347 2.403 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.391 9.274 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.658 10.667 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.108 11.362 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.059 11.660 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.255 10.107 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.873 9.842 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.544 9.015 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.400 10.244 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.604 11.453 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.331 12.379 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.636 12.416 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.406 11.245 -1.701 1.00 0.00 H new ATOM 955 N ARG A 65 -9.378 7.359 1.893 1.00 0.00 N ATOM 956 CA ARG A 65 -10.039 6.234 1.244 1.00 0.00 C ATOM 957 C ARG A 65 -9.753 4.933 1.987 1.00 0.00 C ATOM 958 O ARG A 65 -10.660 4.304 2.530 1.00 0.00 O ATOM 959 CB ARG A 65 -9.581 6.115 -0.211 1.00 0.00 C ATOM 960 CG ARG A 65 -9.599 4.691 -0.741 1.00 0.00 C ATOM 961 CD ARG A 65 -10.990 4.083 -0.655 1.00 0.00 C ATOM 962 NE ARG A 65 -11.188 3.028 -1.646 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.327 2.360 -1.790 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.364 2.635 -1.012 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.430 1.414 -2.715 1.00 0.00 N ATOM 0 H ARG A 65 -8.433 7.544 1.556 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.114 6.415 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.223 6.735 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.570 6.513 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.260 4.683 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.898 4.081 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.147 3.676 0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.737 4.863 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.409 2.792 -2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.289 3.362 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.237 2.120 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.634 1.199 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.305 0.901 -2.825 1.00 0.00 H new ATOM 979 N MET A 66 -8.485 4.535 2.005 1.00 0.00 N ATOM 980 CA MET A 66 -8.078 3.308 2.682 1.00 0.00 C ATOM 981 C MET A 66 -8.680 3.235 4.082 1.00 0.00 C ATOM 982 O MET A 66 -9.204 2.199 4.488 1.00 0.00 O ATOM 983 CB MET A 66 -6.553 3.228 2.765 1.00 0.00 C ATOM 984 CG MET A 66 -5.894 2.820 1.457 1.00 0.00 C ATOM 985 SD MET A 66 -4.164 2.357 1.666 1.00 0.00 S ATOM 986 CE MET A 66 -3.344 3.837 1.079 1.00 0.00 C ATOM 0 H MET A 66 -7.722 5.044 1.559 1.00 0.00 H new ATOM 0 HA MET A 66 -8.448 2.462 2.102 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.163 4.198 3.072 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.276 2.513 3.540 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.441 1.982 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.962 3.645 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.377 3.937 1.571 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.197 3.768 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.958 4.708 1.307 1.00 0.00 H new ATOM 996 N GLU A 67 -8.601 4.342 4.814 1.00 0.00 N ATOM 997 CA GLU A 67 -9.137 4.401 6.169 1.00 0.00 C ATOM 998 C GLU A 67 -10.484 3.690 6.252 1.00 0.00 C ATOM 999 O GLU A 67 -10.777 3.004 7.230 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.287 5.856 6.619 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.308 6.640 5.812 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.633 7.985 6.432 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -9.778 8.522 7.168 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.742 8.501 6.181 1.00 0.00 O ATOM 0 H GLU A 67 -8.171 5.209 4.492 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.436 3.894 6.832 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.575 5.875 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.319 6.352 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.928 6.792 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.223 6.054 5.723 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.301 3.860 5.217 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.619 3.235 5.173 1.00 0.00 C ATOM 1013 C ASN A 68 -12.557 1.885 4.466 1.00 0.00 C ATOM 1014 O ASN A 68 -13.331 0.978 4.771 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.617 4.152 4.462 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.819 5.464 5.193 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.265 6.494 4.808 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.616 5.433 6.255 1.00 0.00 N ATOM 0 H ASN A 68 -11.074 4.425 4.398 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.952 3.073 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.264 4.353 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.575 3.640 4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.790 6.286 6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.054 4.557 6.538 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.632 1.760 3.520 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.470 0.521 2.769 1.00 0.00 C ATOM 1027 C GLU A 69 -11.348 -0.674 3.711 1.00 0.00 C ATOM 1028 O GLU A 69 -10.776 -0.567 4.796 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.236 0.601 1.868 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.294 -0.335 0.672 1.00 0.00 C ATOM 1031 CD GLU A 69 -10.531 -1.778 1.072 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -9.647 -2.365 1.731 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.601 -2.321 0.727 1.00 0.00 O ATOM 0 H GLU A 69 -10.983 2.502 3.255 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.356 0.385 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.122 1.625 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.350 0.368 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.090 -0.012 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.360 -0.265 0.115 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.891 -1.810 3.288 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.843 -3.026 4.093 1.00 0.00 C ATOM 1042 C ASP A 70 -10.895 -4.050 3.475 1.00 0.00 C ATOM 1043 O ASP A 70 -11.317 -4.924 2.718 1.00 0.00 O ATOM 1044 CB ASP A 70 -13.243 -3.627 4.231 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.236 -4.943 4.983 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -12.296 -5.740 4.775 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.169 -5.177 5.778 1.00 0.00 O ATOM 0 H ASP A 70 -12.369 -1.915 2.393 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.470 -2.763 5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.890 -2.919 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.669 -3.781 3.239 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.612 -3.934 3.803 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.604 -4.849 3.281 1.00 0.00 C ATOM 1054 C VAL A 71 -9.165 -6.259 3.136 1.00 0.00 C ATOM 1055 O VAL A 71 -9.075 -6.868 2.069 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.362 -4.893 4.189 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -7.757 -5.232 5.618 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.348 -5.894 3.656 1.00 0.00 C ATOM 0 H VAL A 71 -9.246 -3.215 4.428 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.314 -4.474 2.300 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.899 -3.906 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -6.866 -5.259 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.444 -4.474 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.245 -6.207 5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.476 -5.912 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.798 -6.886 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.042 -5.602 2.651 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.745 -6.773 4.215 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.320 -8.113 4.209 1.00 0.00 C ATOM 1070 C PHE A 72 -11.187 -8.339 5.445 1.00 0.00 C ATOM 1071 O PHE A 72 -10.677 -8.489 6.555 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.213 -9.167 4.150 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.744 -9.466 2.754 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.603 -10.035 1.828 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.444 -9.180 2.370 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.175 -10.311 0.543 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.011 -9.453 1.086 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.877 -10.021 0.172 1.00 0.00 C ATOM 0 H PHE A 72 -9.829 -6.282 5.105 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.948 -8.207 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.365 -8.826 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.574 -10.088 4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.619 -10.266 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.762 -8.739 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.855 -10.753 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.996 -9.222 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.540 -10.238 -0.831 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.501 -8.361 5.243 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.417 -8.568 6.349 1.00 0.00 C ATOM 1090 C GLY A 73 -13.005 -7.807 7.594 1.00 0.00 C ATOM 1091 O GLY A 73 -13.281 -8.239 8.712 1.00 0.00 O ATOM 0 H GLY A 73 -12.947 -8.239 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.418 -8.256 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.470 -9.632 6.578 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.341 -6.673 7.400 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.887 -5.852 8.516 1.00 0.00 C ATOM 1097 C ASN A 74 -11.547 -4.439 8.050 1.00 0.00 C ATOM 1098 O ASN A 74 -11.018 -4.247 6.956 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.666 -6.489 9.182 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.847 -5.485 9.970 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.318 -4.923 10.959 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.614 -5.254 9.534 1.00 0.00 N ATOM 0 H ASN A 74 -12.105 -6.301 6.480 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.698 -5.791 9.242 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.994 -7.288 9.847 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.037 -6.947 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.016 -4.588 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.265 -5.743 8.710 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.854 -3.455 8.889 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.582 -2.061 8.563 1.00 0.00 C ATOM 1111 C ARG A 75 -10.150 -1.686 8.932 1.00 0.00 C ATOM 1112 O ARG A 75 -9.695 -1.954 10.045 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.565 -1.143 9.293 1.00 0.00 C ATOM 1114 CG ARG A 75 -13.833 -0.859 8.505 1.00 0.00 C ATOM 1115 CD ARG A 75 -14.503 0.424 8.970 1.00 0.00 C ATOM 1116 NE ARG A 75 -15.948 0.395 8.760 1.00 0.00 N ATOM 1117 CZ ARG A 75 -16.803 -0.167 9.607 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -16.361 -0.743 10.716 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -18.104 -0.153 9.345 1.00 0.00 N ATOM 0 H ARG A 75 -12.291 -3.598 9.799 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.707 -1.934 7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.834 -1.598 10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.069 -0.199 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.594 -0.782 7.444 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.526 -1.693 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.294 0.579 10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.076 1.271 8.433 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.321 0.830 7.916 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.362 -0.755 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.020 -1.174 11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.448 0.290 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.760 -0.585 9.996 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.445 -1.065 7.992 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.066 -0.653 8.219 1.00 0.00 C ATOM 1135 C ILE A 76 -7.984 0.831 8.559 1.00 0.00 C ATOM 1136 O ILE A 76 -8.875 1.607 8.215 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.184 -0.936 6.988 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.750 -0.228 5.755 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -7.079 -2.434 6.744 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.847 -0.308 4.544 1.00 0.00 C ATOM 0 H ILE A 76 -9.807 -0.836 7.066 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.697 -1.237 9.062 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.183 -0.548 7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.717 -0.666 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.927 0.820 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.453 -2.617 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.636 -2.914 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.073 -2.845 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.312 0.215 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.888 0.156 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.690 -1.353 4.276 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.908 1.218 9.236 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.708 2.610 9.620 1.00 0.00 C ATOM 1154 C ILE A 77 -5.478 3.198 8.937 1.00 0.00 C ATOM 1155 O ILE A 77 -4.480 2.508 8.730 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.554 2.757 11.145 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.704 2.051 11.866 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.500 4.227 11.533 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.464 1.864 13.348 1.00 0.00 C ATOM 0 H ILE A 77 -6.162 0.588 9.530 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.595 3.156 9.298 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.618 2.288 11.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.619 2.626 11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.866 1.076 11.407 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.391 4.314 12.614 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.650 4.702 11.043 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.420 4.720 11.220 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.320 1.357 13.794 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.567 1.263 13.498 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.332 2.837 13.821 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.556 4.479 8.589 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.448 5.161 7.932 1.00 0.00 C ATOM 1173 C VAL A 78 -4.126 6.480 8.626 1.00 0.00 C ATOM 1174 O VAL A 78 -4.978 7.360 8.736 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.760 5.438 6.449 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.508 5.896 5.717 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.350 4.200 5.790 1.00 0.00 C ATOM 0 H VAL A 78 -6.375 5.065 8.751 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.585 4.498 7.997 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.498 6.239 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.747 6.087 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.132 6.810 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.746 5.119 5.779 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.565 4.413 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.637 3.378 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.272 3.921 6.300 1.00 0.00 H new ATOM 1187 N SER A 79 -2.888 6.609 9.093 1.00 0.00 N ATOM 1188 CA SER A 79 -2.452 7.819 9.780 1.00 0.00 C ATOM 1189 C SER A 79 -1.104 8.293 9.245 1.00 0.00 C ATOM 1190 O SER A 79 -0.270 7.487 8.832 1.00 0.00 O ATOM 1191 CB SER A 79 -2.357 7.570 11.286 1.00 0.00 C ATOM 1192 OG SER A 79 -2.650 8.747 12.018 1.00 0.00 O ATOM 0 H SER A 79 -2.169 5.890 9.008 1.00 0.00 H new ATOM 0 HA SER A 79 -3.191 8.598 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.050 6.779 11.571 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.355 7.222 11.537 1.00 0.00 H new ATOM 0 HG SER A 79 -2.584 8.560 12.978 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.899 9.605 9.256 1.00 0.00 N ATOM 1199 CA PHE A 80 0.347 10.188 8.771 1.00 0.00 C ATOM 1200 C PHE A 80 1.444 10.084 9.827 1.00 0.00 C ATOM 1201 O PHE A 80 2.633 10.070 9.506 1.00 0.00 O ATOM 1202 CB PHE A 80 0.133 11.653 8.384 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.509 11.830 7.038 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.777 11.331 6.790 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.156 12.495 6.020 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.370 11.492 5.551 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.432 12.660 4.780 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.697 12.158 4.546 1.00 0.00 C ATOM 0 H PHE A 80 -1.579 10.285 9.595 1.00 0.00 H new ATOM 0 HA PHE A 80 0.661 9.629 7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.488 12.133 9.140 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.095 12.166 8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.309 10.810 7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.146 12.889 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.359 11.097 5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.097 13.181 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.159 12.286 3.578 1.00 0.00 H new ATOM 1218 N THR A 81 1.035 10.012 11.090 1.00 0.00 N ATOM 1219 CA THR A 81 1.981 9.911 12.194 1.00 0.00 C ATOM 1220 C THR A 81 1.953 8.520 12.817 1.00 0.00 C ATOM 1221 O THR A 81 0.979 7.777 12.692 1.00 0.00 O ATOM 1222 CB THR A 81 1.683 10.955 13.287 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.268 11.132 13.423 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.335 12.289 12.953 1.00 0.00 C ATOM 0 H THR A 81 0.055 10.022 11.373 1.00 0.00 H new ATOM 0 HA THR A 81 2.971 10.101 11.779 1.00 0.00 H new ATOM 0 HB THR A 81 2.096 10.591 14.228 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.087 11.796 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.111 13.010 13.739 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.414 12.158 12.878 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.947 12.656 12.003 1.00 0.00 H new ATOM 1232 N PRO A 82 3.046 8.156 13.504 1.00 0.00 N ATOM 1233 CA PRO A 82 3.170 6.851 14.161 1.00 0.00 C ATOM 1234 C PRO A 82 2.248 6.720 15.368 1.00 0.00 C ATOM 1235 O PRO A 82 1.838 7.718 15.961 1.00 0.00 O ATOM 1236 CB PRO A 82 4.636 6.815 14.602 1.00 0.00 C ATOM 1237 CG PRO A 82 5.026 8.246 14.740 1.00 0.00 C ATOM 1238 CD PRO A 82 4.244 8.991 13.693 1.00 0.00 C ATOM 0 HA PRO A 82 2.889 6.032 13.499 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.753 6.280 15.545 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.258 6.304 13.867 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.796 8.619 15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.098 8.374 14.591 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.985 9.996 14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.810 9.097 12.768 1.00 0.00 H new ATOM 1246 N LYS A 83 1.925 5.482 15.727 1.00 0.00 N ATOM 1247 CA LYS A 83 1.052 5.219 16.865 1.00 0.00 C ATOM 1248 C LYS A 83 1.747 4.327 17.889 1.00 0.00 C ATOM 1249 O LYS A 83 1.395 3.160 18.050 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.246 4.558 16.396 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.986 5.355 15.335 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.461 4.992 15.292 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.667 3.548 14.864 1.00 0.00 C ATOM 1254 NZ LYS A 83 -2.594 2.611 16.020 1.00 0.00 N ATOM 0 H LYS A 83 2.255 4.645 15.246 1.00 0.00 H new ATOM 0 HA LYS A 83 0.817 6.172 17.339 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.018 3.568 16.001 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.902 4.415 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.878 6.420 15.538 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.536 5.169 14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.904 5.148 16.276 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.980 5.655 14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.637 3.449 14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.911 3.276 14.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.333 1.885 15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.660 2.154 16.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.738 3.139 16.904 1.00 0.00 H new