USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 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 -1:sc= 1.07 USER MOD Set 2.1: A 10 THR OG1 : rot -120:sc= -0.512 USER MOD Set 2.2: A 56 GLN : amide:sc= -0.143 K(o=-0.65,f=-2.6!) USER MOD Single : A 9 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-0.38) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 34:sc= -0.441 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -108:sc= -1.14 (180deg=-3.33!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.642 USER MOD Single : A 28 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.5!) USER MOD Single : A 34 SER OG : rot 44:sc= -3.56! USER MOD Single : A 36 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.55) USER MOD Single : A 37 CYS SG : rot 101:sc= 0.181 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 16:sc= 0.705 USER MOD Single : A 47 CYS SG : rot 62:sc= 0.166 USER MOD Single : A 55 ASN : amide:sc= -0.0936 K(o=-0.094,f=-1.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.448 K(o=0.45,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -119:sc= -6.42! (180deg=-7.71!) USER MOD Single : A 68 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.6) USER MOD Single : A 74 ASN : amide:sc= 1.05 K(o=1,f=-0.068) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.493 14.389 0.321 1.00 0.00 N ATOM 78 CA HIS A 9 7.526 13.319 0.103 1.00 0.00 C ATOM 79 C HIS A 9 6.609 13.160 1.311 1.00 0.00 C ATOM 80 O HIS A 9 6.802 13.808 2.341 1.00 0.00 O ATOM 81 CB HIS A 9 8.247 12.001 -0.182 1.00 0.00 C ATOM 82 CG HIS A 9 8.545 11.783 -1.633 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.458 12.540 -2.337 1.00 0.00 N ATOM 84 CD2 HIS A 9 8.046 10.884 -2.514 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.507 12.118 -3.587 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.659 11.113 -3.721 1.00 0.00 N ATOM 0 HA HIS A 9 6.916 13.585 -0.761 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.181 11.978 0.380 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.636 11.176 0.183 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.304 10.127 -2.306 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.133 12.525 -4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.488 10.592 -4.581 1.00 0.00 H new ATOM 94 N THR A 10 5.609 12.293 1.180 1.00 0.00 N ATOM 95 CA THR A 10 4.661 12.050 2.260 1.00 0.00 C ATOM 96 C THR A 10 4.376 10.561 2.417 1.00 0.00 C ATOM 97 O THR A 10 3.771 9.939 1.543 1.00 0.00 O ATOM 98 CB THR A 10 3.333 12.793 2.020 1.00 0.00 C ATOM 99 OG1 THR A 10 3.575 14.199 1.892 1.00 0.00 O ATOM 100 CG2 THR A 10 2.359 12.542 3.160 1.00 0.00 C ATOM 0 H THR A 10 5.435 11.747 0.336 1.00 0.00 H new ATOM 0 HA THR A 10 5.120 12.427 3.174 1.00 0.00 H new ATOM 0 HB THR A 10 2.892 12.415 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.083 14.680 2.590 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.429 13.077 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.155 11.474 3.235 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.794 12.895 4.095 1.00 0.00 H new ATOM 108 N LEU A 11 4.815 9.994 3.535 1.00 0.00 N ATOM 109 CA LEU A 11 4.606 8.576 3.807 1.00 0.00 C ATOM 110 C LEU A 11 3.352 8.362 4.649 1.00 0.00 C ATOM 111 O LEU A 11 3.021 9.181 5.508 1.00 0.00 O ATOM 112 CB LEU A 11 5.823 7.990 4.526 1.00 0.00 C ATOM 113 CG LEU A 11 7.127 7.966 3.728 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.322 8.126 4.654 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.238 6.676 2.928 1.00 0.00 C ATOM 0 H LEU A 11 5.318 10.494 4.268 1.00 0.00 H new ATOM 0 HA LEU A 11 4.473 8.064 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.990 8.561 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.586 6.970 4.827 1.00 0.00 H new ATOM 0 HG LEU A 11 7.120 8.803 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.241 8.107 4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.248 9.077 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.335 7.310 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.172 6.676 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.223 5.824 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.398 6.603 2.237 1.00 0.00 H new ATOM 127 N LEU A 12 2.660 7.256 4.398 1.00 0.00 N ATOM 128 CA LEU A 12 1.443 6.933 5.135 1.00 0.00 C ATOM 129 C LEU A 12 1.663 5.734 6.051 1.00 0.00 C ATOM 130 O LEU A 12 2.477 4.857 5.758 1.00 0.00 O ATOM 131 CB LEU A 12 0.297 6.643 4.163 1.00 0.00 C ATOM 132 CG LEU A 12 -0.366 7.863 3.524 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.624 7.455 2.773 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.690 8.909 4.581 1.00 0.00 C ATOM 0 H LEU A 12 2.920 6.569 3.691 1.00 0.00 H new ATOM 0 HA LEU A 12 1.181 7.794 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.676 6.002 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.467 6.075 4.693 1.00 0.00 H new ATOM 0 HG LEU A 12 0.333 8.300 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.082 8.337 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.365 6.743 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.327 6.993 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.161 9.770 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.370 8.483 5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.229 9.224 5.075 1.00 0.00 H new ATOM 146 N TYR A 13 0.933 5.701 7.160 1.00 0.00 N ATOM 147 CA TYR A 13 1.049 4.609 8.120 1.00 0.00 C ATOM 148 C TYR A 13 -0.304 3.945 8.355 1.00 0.00 C ATOM 149 O TYR A 13 -1.172 4.498 9.031 1.00 0.00 O ATOM 150 CB TYR A 13 1.613 5.125 9.445 1.00 0.00 C ATOM 151 CG TYR A 13 2.969 5.780 9.311 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.861 5.381 8.323 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.358 6.798 10.173 1.00 0.00 C ATOM 154 CE1 TYR A 13 5.101 5.976 8.198 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.596 7.400 10.054 1.00 0.00 C ATOM 156 CZ TYR A 13 5.464 6.985 9.066 1.00 0.00 C ATOM 157 OH TYR A 13 6.698 7.582 8.944 1.00 0.00 O ATOM 0 H TYR A 13 0.254 6.418 7.417 1.00 0.00 H new ATOM 0 HA TYR A 13 1.731 3.866 7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.913 5.842 9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.688 4.294 10.147 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.580 4.592 7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.681 7.124 10.949 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.783 5.653 7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.882 8.191 10.731 1.00 0.00 H new ATOM 0 HH TYR A 13 6.796 8.274 9.631 1.00 0.00 H new ATOM 167 N VAL A 14 -0.477 2.753 7.791 1.00 0.00 N ATOM 168 CA VAL A 14 -1.723 2.011 7.940 1.00 0.00 C ATOM 169 C VAL A 14 -1.671 1.088 9.152 1.00 0.00 C ATOM 170 O VAL A 14 -0.608 0.586 9.519 1.00 0.00 O ATOM 171 CB VAL A 14 -2.030 1.173 6.684 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.448 0.625 6.742 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.821 2.003 5.427 1.00 0.00 C ATOM 0 H VAL A 14 0.230 2.281 7.227 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.515 2.747 8.080 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.341 0.329 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.647 0.036 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.558 -0.006 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.156 1.452 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.042 1.396 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.485 2.867 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.786 2.342 5.383 1.00 0.00 H new ATOM 183 N TYR A 15 -2.826 0.868 9.771 1.00 0.00 N ATOM 184 CA TYR A 15 -2.913 0.007 10.944 1.00 0.00 C ATOM 185 C TYR A 15 -4.164 -0.865 10.889 1.00 0.00 C ATOM 186 O TYR A 15 -5.023 -0.682 10.028 1.00 0.00 O ATOM 187 CB TYR A 15 -2.920 0.848 12.221 1.00 0.00 C ATOM 188 CG TYR A 15 -1.798 1.860 12.286 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.951 3.132 11.750 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.585 1.543 12.885 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.928 4.059 11.807 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.443 2.464 12.947 1.00 0.00 C ATOM 193 CZ TYR A 15 0.267 3.720 12.406 1.00 0.00 C ATOM 194 OH TYR A 15 1.288 4.641 12.466 1.00 0.00 O ATOM 0 H TYR A 15 -3.715 1.274 9.479 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.039 -0.644 10.950 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.874 1.370 12.297 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.850 0.185 13.083 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.886 3.401 11.281 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.443 0.560 13.309 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.064 5.044 11.385 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.379 2.202 13.417 1.00 0.00 H new ATOM 0 HH TYR A 15 0.912 5.541 12.564 1.00 0.00 H new ATOM 204 N ASN A 16 -4.258 -1.813 11.815 1.00 0.00 N ATOM 205 CA ASN A 16 -5.403 -2.714 11.874 1.00 0.00 C ATOM 206 C ASN A 16 -5.516 -3.534 10.592 1.00 0.00 C ATOM 207 O ASN A 16 -6.562 -3.547 9.940 1.00 0.00 O ATOM 208 CB ASN A 16 -6.692 -1.920 12.100 1.00 0.00 C ATOM 209 CG ASN A 16 -6.970 -1.676 13.570 1.00 0.00 C ATOM 210 OD1 ASN A 16 -6.113 -1.180 14.302 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.173 -2.026 14.011 1.00 0.00 N ATOM 0 H ASN A 16 -3.555 -1.977 12.535 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.254 -3.397 12.710 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.622 -0.963 11.583 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.530 -2.460 11.659 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.417 -1.887 14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.853 -2.434 13.369 1.00 0.00 H new ATOM 218 N LEU A 17 -4.434 -4.217 10.236 1.00 0.00 N ATOM 219 CA LEU A 17 -4.411 -5.040 9.032 1.00 0.00 C ATOM 220 C LEU A 17 -4.716 -6.498 9.364 1.00 0.00 C ATOM 221 O LEU A 17 -4.513 -6.960 10.486 1.00 0.00 O ATOM 222 CB LEU A 17 -3.048 -4.937 8.345 1.00 0.00 C ATOM 223 CG LEU A 17 -2.790 -3.653 7.556 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.308 -3.312 7.560 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.304 -3.791 6.130 1.00 0.00 C ATOM 0 H LEU A 17 -3.561 -4.217 10.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.181 -4.671 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.272 -5.035 9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.940 -5.784 7.668 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.330 -2.838 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.144 -2.395 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.970 -3.170 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.746 -4.126 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.112 -2.868 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.792 -4.618 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.376 -3.986 6.147 1.00 0.00 H new ATOM 237 N PRO A 18 -5.214 -7.240 8.364 1.00 0.00 N ATOM 238 CA PRO A 18 -5.555 -8.657 8.524 1.00 0.00 C ATOM 239 C PRO A 18 -4.320 -9.535 8.693 1.00 0.00 C ATOM 240 O PRO A 18 -3.806 -10.092 7.724 1.00 0.00 O ATOM 241 CB PRO A 18 -6.279 -8.997 7.219 1.00 0.00 C ATOM 242 CG PRO A 18 -5.755 -8.016 6.228 1.00 0.00 C ATOM 243 CD PRO A 18 -5.481 -6.755 7.000 1.00 0.00 C ATOM 0 HA PRO A 18 -6.153 -8.834 9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.074 -10.021 6.908 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.360 -8.908 7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.847 -8.388 5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.480 -7.838 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.628 -6.212 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.333 -6.076 6.975 1.00 0.00 H new ATOM 251 N ALA A 19 -3.849 -9.655 9.930 1.00 0.00 N ATOM 252 CA ALA A 19 -2.676 -10.468 10.226 1.00 0.00 C ATOM 253 C ALA A 19 -2.885 -11.913 9.788 1.00 0.00 C ATOM 254 O ALA A 19 -1.946 -12.585 9.365 1.00 0.00 O ATOM 255 CB ALA A 19 -2.351 -10.405 11.711 1.00 0.00 C ATOM 0 H ALA A 19 -4.262 -9.199 10.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.834 -10.065 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.473 -11.017 11.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.149 -9.372 11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.198 -10.781 12.285 1.00 0.00 H new ATOM 261 N ASN A 20 -4.123 -12.385 9.894 1.00 0.00 N ATOM 262 CA ASN A 20 -4.455 -13.753 9.510 1.00 0.00 C ATOM 263 C ASN A 20 -4.256 -13.961 8.012 1.00 0.00 C ATOM 264 O ASN A 20 -3.676 -14.959 7.584 1.00 0.00 O ATOM 265 CB ASN A 20 -5.900 -14.076 9.894 1.00 0.00 C ATOM 266 CG ASN A 20 -6.132 -14.000 11.391 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.680 -13.020 11.897 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.714 -15.037 12.108 1.00 0.00 N ATOM 0 H ASN A 20 -4.912 -11.841 10.242 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.785 -14.427 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.571 -13.381 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.152 -15.076 9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.842 -15.042 13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.265 -15.828 11.647 1.00 0.00 H new ATOM 275 N LYS A 21 -4.741 -13.011 7.219 1.00 0.00 N ATOM 276 CA LYS A 21 -4.616 -13.087 5.768 1.00 0.00 C ATOM 277 C LYS A 21 -3.155 -12.989 5.342 1.00 0.00 C ATOM 278 O LYS A 21 -2.500 -11.971 5.566 1.00 0.00 O ATOM 279 CB LYS A 21 -5.427 -11.971 5.107 1.00 0.00 C ATOM 280 CG LYS A 21 -6.848 -11.858 5.631 1.00 0.00 C ATOM 281 CD LYS A 21 -7.768 -12.872 4.971 1.00 0.00 C ATOM 282 CE LYS A 21 -8.172 -12.431 3.573 1.00 0.00 C ATOM 283 NZ LYS A 21 -7.157 -12.817 2.555 1.00 0.00 N ATOM 0 H LYS A 21 -5.225 -12.179 7.557 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.006 -14.052 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.915 -11.021 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.458 -12.145 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.852 -12.010 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.225 -10.851 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.267 -13.839 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.660 -13.008 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.133 -12.877 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.308 -11.350 3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.651 -11.968 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.479 -13.484 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.630 -13.268 1.747 1.00 0.00 H new ATOM 297 N ASP A 22 -2.651 -14.053 4.727 1.00 0.00 N ATOM 298 CA ASP A 22 -1.267 -14.086 4.267 1.00 0.00 C ATOM 299 C ASP A 22 -0.819 -12.707 3.792 1.00 0.00 C ATOM 300 O ASP A 22 -1.444 -12.107 2.919 1.00 0.00 O ATOM 301 CB ASP A 22 -1.107 -15.105 3.138 1.00 0.00 C ATOM 302 CG ASP A 22 0.335 -15.532 2.944 1.00 0.00 C ATOM 303 OD1 ASP A 22 1.239 -14.739 3.280 1.00 0.00 O ATOM 304 OD2 ASP A 22 0.560 -16.659 2.455 1.00 0.00 O ATOM 0 H ASP A 22 -3.180 -14.904 4.535 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.638 -14.383 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.717 -15.982 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.484 -14.676 2.209 1.00 0.00 H new ATOM 309 N GLY A 23 0.267 -12.210 4.375 1.00 0.00 N ATOM 310 CA GLY A 23 0.779 -10.905 4.000 1.00 0.00 C ATOM 311 C GLY A 23 0.798 -10.700 2.498 1.00 0.00 C ATOM 312 O GLY A 23 0.210 -9.747 1.986 1.00 0.00 O ATOM 0 H GLY A 23 0.802 -12.688 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.166 -10.131 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.789 -10.788 4.393 1.00 0.00 H new ATOM 316 N LYS A 24 1.477 -11.595 1.789 1.00 0.00 N ATOM 317 CA LYS A 24 1.572 -11.509 0.336 1.00 0.00 C ATOM 318 C LYS A 24 0.261 -11.012 -0.266 1.00 0.00 C ATOM 319 O LYS A 24 0.252 -10.091 -1.083 1.00 0.00 O ATOM 320 CB LYS A 24 1.931 -12.874 -0.254 1.00 0.00 C ATOM 321 CG LYS A 24 2.543 -12.795 -1.642 1.00 0.00 C ATOM 322 CD LYS A 24 3.345 -14.044 -1.970 1.00 0.00 C ATOM 323 CE LYS A 24 3.556 -14.193 -3.468 1.00 0.00 C ATOM 324 NZ LYS A 24 4.767 -15.002 -3.780 1.00 0.00 N ATOM 0 H LYS A 24 1.970 -12.389 2.197 1.00 0.00 H new ATOM 0 HA LYS A 24 2.359 -10.796 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.630 -13.377 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.033 -13.490 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.753 -12.664 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.189 -11.919 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.312 -13.999 -1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.826 -14.922 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.680 -14.664 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.652 -13.206 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.876 -15.080 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.607 -14.539 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.665 -15.952 -3.370 1.00 0.00 H new ATOM 338 N SER A 25 -0.844 -11.626 0.144 1.00 0.00 N ATOM 339 CA SER A 25 -2.160 -11.247 -0.357 1.00 0.00 C ATOM 340 C SER A 25 -2.505 -9.818 0.050 1.00 0.00 C ATOM 341 O SER A 25 -2.904 -9.003 -0.782 1.00 0.00 O ATOM 342 CB SER A 25 -3.226 -12.211 0.168 1.00 0.00 C ATOM 343 OG SER A 25 -2.968 -13.538 -0.256 1.00 0.00 O ATOM 0 H SER A 25 -0.854 -12.388 0.822 1.00 0.00 H new ATOM 0 HA SER A 25 -2.137 -11.301 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.251 -12.172 1.257 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.209 -11.898 -0.184 1.00 0.00 H new ATOM 0 HG SER A 25 -3.662 -14.134 0.094 1.00 0.00 H new ATOM 349 N VAL A 26 -2.349 -9.522 1.336 1.00 0.00 N ATOM 350 CA VAL A 26 -2.643 -8.191 1.855 1.00 0.00 C ATOM 351 C VAL A 26 -2.031 -7.109 0.972 1.00 0.00 C ATOM 352 O VAL A 26 -2.746 -6.333 0.339 1.00 0.00 O ATOM 353 CB VAL A 26 -2.119 -8.022 3.294 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.516 -6.663 3.850 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.634 -9.142 4.184 1.00 0.00 C ATOM 0 H VAL A 26 -2.021 -10.185 2.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.728 -8.084 1.856 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.031 -8.077 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.137 -6.561 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.093 -5.877 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.602 -6.576 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.254 -9.006 5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.724 -9.122 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.294 -10.102 3.794 1.00 0.00 H new ATOM 365 N SER A 27 -0.703 -7.064 0.935 1.00 0.00 N ATOM 366 CA SER A 27 0.006 -6.075 0.132 1.00 0.00 C ATOM 367 C SER A 27 -0.747 -5.787 -1.164 1.00 0.00 C ATOM 368 O SER A 27 -1.299 -4.702 -1.345 1.00 0.00 O ATOM 369 CB SER A 27 1.420 -6.564 -0.186 1.00 0.00 C ATOM 370 OG SER A 27 1.938 -7.350 0.874 1.00 0.00 O ATOM 0 H SER A 27 -0.097 -7.701 1.452 1.00 0.00 H new ATOM 0 HA SER A 27 0.069 -5.152 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.408 -7.150 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.073 -5.709 -0.362 1.00 0.00 H new ATOM 0 HG SER A 27 2.842 -7.652 0.646 1.00 0.00 H new ATOM 376 N ASN A 28 -0.765 -6.767 -2.061 1.00 0.00 N ATOM 377 CA ASN A 28 -1.449 -6.619 -3.341 1.00 0.00 C ATOM 378 C ASN A 28 -2.701 -5.759 -3.192 1.00 0.00 C ATOM 379 O ASN A 28 -2.787 -4.668 -3.755 1.00 0.00 O ATOM 380 CB ASN A 28 -1.824 -7.991 -3.904 1.00 0.00 C ATOM 381 CG ASN A 28 -2.147 -7.940 -5.385 1.00 0.00 C ATOM 382 OD1 ASN A 28 -1.695 -7.045 -6.099 1.00 0.00 O ATOM 383 ND2 ASN A 28 -2.934 -8.902 -5.852 1.00 0.00 N ATOM 0 H ASN A 28 -0.314 -7.672 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.769 -6.123 -4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.001 -8.686 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.685 -8.381 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.187 -8.919 -6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.285 -9.624 -5.223 1.00 0.00 H new ATOM 390 N ARG A 29 -3.668 -6.258 -2.430 1.00 0.00 N ATOM 391 CA ARG A 29 -4.915 -5.537 -2.208 1.00 0.00 C ATOM 392 C ARG A 29 -4.652 -4.049 -1.995 1.00 0.00 C ATOM 393 O ARG A 29 -5.378 -3.198 -2.510 1.00 0.00 O ATOM 394 CB ARG A 29 -5.654 -6.113 -0.999 1.00 0.00 C ATOM 395 CG ARG A 29 -6.886 -5.316 -0.601 1.00 0.00 C ATOM 396 CD ARG A 29 -7.917 -5.288 -1.718 1.00 0.00 C ATOM 397 NE ARG A 29 -8.462 -6.615 -1.992 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.483 -6.834 -2.814 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.065 -5.820 -3.439 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.923 -8.070 -3.012 1.00 0.00 N ATOM 0 H ARG A 29 -3.612 -7.159 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.537 -5.655 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.951 -7.138 -1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.970 -6.155 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.329 -5.753 0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.595 -4.297 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.728 -4.612 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.460 -4.890 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.036 -7.417 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.729 -4.868 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.848 -5.991 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.478 -8.853 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.707 -8.237 -3.643 1.00 0.00 H new ATOM 414 N LEU A 30 -3.608 -3.742 -1.232 1.00 0.00 N ATOM 415 CA LEU A 30 -3.248 -2.356 -0.950 1.00 0.00 C ATOM 416 C LEU A 30 -2.613 -1.699 -2.171 1.00 0.00 C ATOM 417 O LEU A 30 -3.020 -0.614 -2.586 1.00 0.00 O ATOM 418 CB LEU A 30 -2.286 -2.290 0.237 1.00 0.00 C ATOM 419 CG LEU A 30 -2.890 -2.591 1.609 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.964 -4.091 1.843 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.081 -1.917 2.708 1.00 0.00 C ATOM 0 H LEU A 30 -2.996 -4.433 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.160 -1.813 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.472 -2.993 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.846 -1.293 0.267 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.903 -2.190 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.396 -4.285 2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.587 -4.549 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.961 -4.516 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.526 -2.142 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.056 -2.287 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.081 -0.838 2.551 1.00 0.00 H new ATOM 433 N ARG A 31 -1.616 -2.365 -2.743 1.00 0.00 N ATOM 434 CA ARG A 31 -0.925 -1.846 -3.918 1.00 0.00 C ATOM 435 C ARG A 31 -1.894 -1.106 -4.836 1.00 0.00 C ATOM 436 O ARG A 31 -1.633 0.024 -5.249 1.00 0.00 O ATOM 437 CB ARG A 31 -0.250 -2.985 -4.684 1.00 0.00 C ATOM 438 CG ARG A 31 1.085 -3.409 -4.093 1.00 0.00 C ATOM 439 CD ARG A 31 1.529 -4.760 -4.632 1.00 0.00 C ATOM 440 NE ARG A 31 2.984 -4.878 -4.682 1.00 0.00 N ATOM 441 CZ ARG A 31 3.724 -4.417 -5.684 1.00 0.00 C ATOM 442 NH1 ARG A 31 3.149 -3.810 -6.713 1.00 0.00 N ATOM 443 NH2 ARG A 31 5.043 -4.562 -5.657 1.00 0.00 N ATOM 0 H ARG A 31 -1.268 -3.265 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.163 -1.144 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.919 -3.845 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.098 -2.676 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.841 -2.658 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.004 -3.458 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.122 -5.552 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.119 -4.904 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 31 3.457 -5.339 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.136 -3.696 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.720 -3.457 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.489 -5.028 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.611 -4.208 -6.427 1.00 0.00 H new ATOM 457 N ARG A 32 -3.013 -1.752 -5.150 1.00 0.00 N ATOM 458 CA ARG A 32 -4.020 -1.156 -6.020 1.00 0.00 C ATOM 459 C ARG A 32 -4.598 0.110 -5.395 1.00 0.00 C ATOM 460 O ARG A 32 -4.827 1.106 -6.083 1.00 0.00 O ATOM 461 CB ARG A 32 -5.141 -2.158 -6.298 1.00 0.00 C ATOM 462 CG ARG A 32 -4.900 -3.017 -7.529 1.00 0.00 C ATOM 463 CD ARG A 32 -5.483 -2.375 -8.779 1.00 0.00 C ATOM 464 NE ARG A 32 -5.028 -3.038 -9.998 1.00 0.00 N ATOM 465 CZ ARG A 32 -5.563 -2.824 -11.194 1.00 0.00 C ATOM 466 NH1 ARG A 32 -6.567 -1.969 -11.332 1.00 0.00 N ATOM 467 NH2 ARG A 32 -5.094 -3.466 -12.257 1.00 0.00 N ATOM 0 H ARG A 32 -3.245 -2.687 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.539 -0.889 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.260 -2.807 -5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.079 -1.616 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.829 -3.170 -7.663 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.347 -4.000 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.571 -2.411 -8.731 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.200 -1.323 -8.812 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.257 -3.702 -9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.930 -1.473 -10.518 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.976 -1.807 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.322 -4.125 -12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.506 -3.301 -13.175 1.00 0.00 H new ATOM 481 N LEU A 33 -4.831 0.065 -4.088 1.00 0.00 N ATOM 482 CA LEU A 33 -5.383 1.208 -3.370 1.00 0.00 C ATOM 483 C LEU A 33 -4.391 2.366 -3.345 1.00 0.00 C ATOM 484 O LEU A 33 -4.781 3.529 -3.243 1.00 0.00 O ATOM 485 CB LEU A 33 -5.753 0.808 -1.941 1.00 0.00 C ATOM 486 CG LEU A 33 -6.994 -0.073 -1.790 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.888 -0.935 -0.542 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.252 0.782 -1.745 1.00 0.00 C ATOM 0 H LEU A 33 -4.646 -0.751 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.282 1.535 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.905 0.284 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.904 1.717 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.057 -0.731 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.780 -1.555 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.008 -1.574 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.800 -0.295 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.125 0.139 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.198 1.465 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.335 1.355 -2.668 1.00 0.00 H new ATOM 500 N SER A 34 -3.106 2.040 -3.441 1.00 0.00 N ATOM 501 CA SER A 34 -2.057 3.053 -3.428 1.00 0.00 C ATOM 502 C SER A 34 -1.702 3.486 -4.847 1.00 0.00 C ATOM 503 O SER A 34 -1.264 4.614 -5.072 1.00 0.00 O ATOM 504 CB SER A 34 -0.811 2.518 -2.719 1.00 0.00 C ATOM 505 OG SER A 34 -0.049 3.574 -2.160 1.00 0.00 O ATOM 0 H SER A 34 -2.766 1.082 -3.529 1.00 0.00 H new ATOM 0 HA SER A 34 -2.431 3.921 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.106 1.823 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.199 1.958 -3.426 1.00 0.00 H new ATOM 0 HG SER A 34 -0.647 4.208 -1.712 1.00 0.00 H new ATOM 511 N ASP A 35 -1.894 2.581 -5.800 1.00 0.00 N ATOM 512 CA ASP A 35 -1.595 2.868 -7.198 1.00 0.00 C ATOM 513 C ASP A 35 -2.522 3.951 -7.740 1.00 0.00 C ATOM 514 O ASP A 35 -2.153 4.703 -8.642 1.00 0.00 O ATOM 515 CB ASP A 35 -1.727 1.598 -8.041 1.00 0.00 C ATOM 516 CG ASP A 35 -1.158 1.768 -9.436 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.024 2.278 -9.557 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.846 1.389 -10.407 1.00 0.00 O ATOM 0 H ASP A 35 -2.255 1.642 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.568 3.230 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.214 0.778 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.779 1.320 -8.112 1.00 0.00 H new ATOM 523 N ASN A 36 -3.727 4.024 -7.185 1.00 0.00 N ATOM 524 CA ASN A 36 -4.708 5.015 -7.614 1.00 0.00 C ATOM 525 C ASN A 36 -4.523 6.326 -6.857 1.00 0.00 C ATOM 526 O ASN A 36 -4.755 7.407 -7.401 1.00 0.00 O ATOM 527 CB ASN A 36 -6.127 4.484 -7.399 1.00 0.00 C ATOM 528 CG ASN A 36 -7.166 5.291 -8.155 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.865 6.350 -8.706 1.00 0.00 O ATOM 530 ND2 ASN A 36 -8.396 4.791 -8.183 1.00 0.00 N ATOM 0 H ASN A 36 -4.048 3.409 -6.437 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.556 5.205 -8.676 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.175 3.443 -7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.361 4.501 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.138 5.289 -8.676 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.599 3.909 -7.712 1.00 0.00 H new ATOM 537 N CYS A 37 -4.105 6.224 -5.600 1.00 0.00 N ATOM 538 CA CYS A 37 -3.889 7.402 -4.768 1.00 0.00 C ATOM 539 C CYS A 37 -2.515 8.009 -5.031 1.00 0.00 C ATOM 540 O CYS A 37 -2.130 8.995 -4.403 1.00 0.00 O ATOM 541 CB CYS A 37 -4.024 7.038 -3.288 1.00 0.00 C ATOM 542 SG CYS A 37 -5.619 6.309 -2.850 1.00 0.00 S ATOM 0 H CYS A 37 -3.909 5.338 -5.135 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.648 8.141 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.232 6.338 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.870 7.935 -2.689 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.495 5.018 -2.756 1.00 0.00 H new ATOM 548 N GLY A 38 -1.778 7.413 -5.964 1.00 0.00 N ATOM 549 CA GLY A 38 -0.454 7.908 -6.292 1.00 0.00 C ATOM 550 C GLY A 38 0.561 7.615 -5.205 1.00 0.00 C ATOM 551 O GLY A 38 1.193 8.527 -4.675 1.00 0.00 O ATOM 0 H GLY A 38 -2.075 6.596 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.122 7.456 -7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.503 8.984 -6.458 1.00 0.00 H new ATOM 555 N GLY A 39 0.716 6.337 -4.871 1.00 0.00 N ATOM 556 CA GLY A 39 1.661 5.950 -3.840 1.00 0.00 C ATOM 557 C GLY A 39 2.271 4.586 -4.096 1.00 0.00 C ATOM 558 O GLY A 39 2.019 3.969 -5.131 1.00 0.00 O ATOM 0 H GLY A 39 0.204 5.564 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.455 6.695 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.157 5.944 -2.873 1.00 0.00 H new ATOM 562 N LYS A 40 3.077 4.114 -3.152 1.00 0.00 N ATOM 563 CA LYS A 40 3.726 2.814 -3.278 1.00 0.00 C ATOM 564 C LYS A 40 3.967 2.190 -1.908 1.00 0.00 C ATOM 565 O LYS A 40 4.742 2.710 -1.105 1.00 0.00 O ATOM 566 CB LYS A 40 5.054 2.955 -4.026 1.00 0.00 C ATOM 567 CG LYS A 40 5.712 1.626 -4.354 1.00 0.00 C ATOM 568 CD LYS A 40 6.905 1.806 -5.277 1.00 0.00 C ATOM 569 CE LYS A 40 8.115 2.339 -4.526 1.00 0.00 C ATOM 570 NZ LYS A 40 8.939 1.239 -3.951 1.00 0.00 N ATOM 0 H LYS A 40 3.297 4.613 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 40 3.064 2.159 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.883 3.504 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.739 3.551 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.034 1.141 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.984 0.965 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.155 0.852 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.643 2.493 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.727 2.937 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.783 3.001 -3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.754 1.643 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.362 0.684 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.277 0.622 -4.717 1.00 0.00 H new ATOM 584 N VAL A 41 3.298 1.071 -1.646 1.00 0.00 N ATOM 585 CA VAL A 41 3.441 0.374 -0.374 1.00 0.00 C ATOM 586 C VAL A 41 4.897 0.006 -0.109 1.00 0.00 C ATOM 587 O VAL A 41 5.368 -1.051 -0.531 1.00 0.00 O ATOM 588 CB VAL A 41 2.584 -0.905 -0.334 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.919 -1.808 -1.511 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.781 -1.638 0.984 1.00 0.00 C ATOM 0 H VAL A 41 2.651 0.628 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 41 3.095 1.058 0.401 1.00 0.00 H new ATOM 0 HB VAL A 41 1.534 -0.621 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.304 -2.707 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.721 -1.279 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.972 -2.086 -1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.168 -2.539 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.830 -1.912 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.486 -0.989 1.809 1.00 0.00 H new ATOM 600 N LEU A 42 5.605 0.884 0.593 1.00 0.00 N ATOM 601 CA LEU A 42 7.009 0.651 0.915 1.00 0.00 C ATOM 602 C LEU A 42 7.205 -0.731 1.529 1.00 0.00 C ATOM 603 O LEU A 42 7.978 -1.543 1.021 1.00 0.00 O ATOM 604 CB LEU A 42 7.516 1.726 1.877 1.00 0.00 C ATOM 605 CG LEU A 42 7.704 3.123 1.284 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.512 4.000 2.229 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.380 3.039 -0.076 1.00 0.00 C ATOM 0 H LEU A 42 5.231 1.763 0.950 1.00 0.00 H new ATOM 0 HA LEU A 42 7.582 0.701 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.817 1.798 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.470 1.396 2.288 1.00 0.00 H new ATOM 0 HG LEU A 42 6.721 3.575 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.636 4.990 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.988 4.088 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.492 3.551 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.505 4.043 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.356 2.566 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.763 2.448 -0.753 1.00 0.00 H new ATOM 619 N SER A 43 6.497 -0.992 2.624 1.00 0.00 N ATOM 620 CA SER A 43 6.594 -2.276 3.309 1.00 0.00 C ATOM 621 C SER A 43 5.355 -2.532 4.160 1.00 0.00 C ATOM 622 O SER A 43 4.521 -1.645 4.345 1.00 0.00 O ATOM 623 CB SER A 43 7.847 -2.316 4.186 1.00 0.00 C ATOM 624 OG SER A 43 9.009 -2.538 3.406 1.00 0.00 O ATOM 0 H SER A 43 5.850 -0.332 3.055 1.00 0.00 H new ATOM 0 HA SER A 43 6.663 -3.059 2.554 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.944 -1.376 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.749 -3.106 4.930 1.00 0.00 H new ATOM 0 HG SER A 43 8.808 -2.363 2.463 1.00 0.00 H new ATOM 630 N ILE A 44 5.241 -3.752 4.676 1.00 0.00 N ATOM 631 CA ILE A 44 4.104 -4.126 5.508 1.00 0.00 C ATOM 632 C ILE A 44 4.556 -4.913 6.733 1.00 0.00 C ATOM 633 O ILE A 44 4.905 -6.090 6.635 1.00 0.00 O ATOM 634 CB ILE A 44 3.082 -4.965 4.720 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.459 -4.131 3.599 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.004 -5.498 5.653 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.062 -4.945 2.388 1.00 0.00 C ATOM 0 H ILE A 44 5.922 -4.498 4.532 1.00 0.00 H new ATOM 0 HA ILE A 44 3.629 -3.199 5.830 1.00 0.00 H new ATOM 0 HB ILE A 44 3.599 -5.813 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.579 -3.618 3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.168 -3.362 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.288 -6.089 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.462 -6.124 6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.488 -4.663 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.628 -4.288 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.943 -5.437 1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.329 -5.697 2.680 1.00 0.00 H new ATOM 649 N THR A 45 4.545 -4.257 7.889 1.00 0.00 N ATOM 650 CA THR A 45 4.952 -4.895 9.135 1.00 0.00 C ATOM 651 C THR A 45 3.749 -5.174 10.029 1.00 0.00 C ATOM 652 O THR A 45 2.891 -4.313 10.218 1.00 0.00 O ATOM 653 CB THR A 45 5.961 -4.025 9.908 1.00 0.00 C ATOM 654 OG1 THR A 45 5.309 -2.859 10.424 1.00 0.00 O ATOM 655 CG2 THR A 45 7.117 -3.609 9.010 1.00 0.00 C ATOM 0 H THR A 45 4.258 -3.283 7.988 1.00 0.00 H new ATOM 0 HA THR A 45 5.428 -5.838 8.866 1.00 0.00 H new ATOM 0 HB THR A 45 6.357 -4.615 10.734 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.957 -2.312 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.816 -2.995 9.578 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.630 -4.498 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.734 -3.035 8.166 1.00 0.00 H new ATOM 663 N GLY A 46 3.694 -6.384 10.577 1.00 0.00 N ATOM 664 CA GLY A 46 2.592 -6.754 11.446 1.00 0.00 C ATOM 665 C GLY A 46 1.252 -6.285 10.915 1.00 0.00 C ATOM 666 O GLY A 46 0.960 -6.434 9.728 1.00 0.00 O ATOM 0 H GLY A 46 4.392 -7.114 10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.574 -7.838 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.756 -6.329 12.436 1.00 0.00 H new ATOM 670 N CYS A 47 0.435 -5.717 11.795 1.00 0.00 N ATOM 671 CA CYS A 47 -0.883 -5.226 11.409 1.00 0.00 C ATOM 672 C CYS A 47 -0.804 -3.783 10.919 1.00 0.00 C ATOM 673 O CYS A 47 -1.791 -3.049 10.956 1.00 0.00 O ATOM 674 CB CYS A 47 -1.853 -5.324 12.587 1.00 0.00 C ATOM 675 SG CYS A 47 -1.172 -4.734 14.155 1.00 0.00 S ATOM 0 H CYS A 47 0.662 -5.585 12.781 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.250 -5.849 10.593 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.750 -4.750 12.354 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.161 -6.363 12.705 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.869 -3.474 14.050 1.00 0.00 H new ATOM 681 N SER A 48 0.378 -3.383 10.461 1.00 0.00 N ATOM 682 CA SER A 48 0.588 -2.027 9.969 1.00 0.00 C ATOM 683 C SER A 48 1.373 -2.039 8.661 1.00 0.00 C ATOM 684 O SER A 48 2.049 -3.016 8.339 1.00 0.00 O ATOM 685 CB SER A 48 1.330 -1.192 11.014 1.00 0.00 C ATOM 686 OG SER A 48 2.540 -1.819 11.403 1.00 0.00 O ATOM 0 H SER A 48 1.205 -3.979 10.421 1.00 0.00 H new ATOM 0 HA SER A 48 -0.388 -1.579 9.783 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.543 -0.203 10.609 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.694 -1.048 11.888 1.00 0.00 H new ATOM 0 HG SER A 48 2.637 -2.669 10.924 1.00 0.00 H new ATOM 692 N ALA A 49 1.277 -0.946 7.910 1.00 0.00 N ATOM 693 CA ALA A 49 1.979 -0.829 6.638 1.00 0.00 C ATOM 694 C ALA A 49 2.513 0.584 6.434 1.00 0.00 C ATOM 695 O ALA A 49 2.166 1.502 7.177 1.00 0.00 O ATOM 696 CB ALA A 49 1.059 -1.219 5.490 1.00 0.00 C ATOM 0 H ALA A 49 0.720 -0.129 8.161 1.00 0.00 H new ATOM 0 HA ALA A 49 2.829 -1.511 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.596 -1.127 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.730 -2.250 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.191 -0.560 5.479 1.00 0.00 H new ATOM 702 N ILE A 50 3.360 0.752 5.423 1.00 0.00 N ATOM 703 CA ILE A 50 3.941 2.054 5.122 1.00 0.00 C ATOM 704 C ILE A 50 3.970 2.308 3.619 1.00 0.00 C ATOM 705 O ILE A 50 4.502 1.504 2.852 1.00 0.00 O ATOM 706 CB ILE A 50 5.371 2.174 5.680 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.361 2.038 7.204 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.992 3.500 5.265 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.744 1.977 7.814 1.00 0.00 C ATOM 0 H ILE A 50 3.659 0.002 4.799 1.00 0.00 H new ATOM 0 HA ILE A 50 3.309 2.801 5.602 1.00 0.00 H new ATOM 0 HB ILE A 50 5.975 1.367 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.821 2.882 7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.812 1.137 7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.003 3.570 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.029 3.560 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.389 4.321 5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.660 1.881 8.897 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.281 1.117 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.289 2.889 7.572 1.00 0.00 H new ATOM 721 N LEU A 51 3.398 3.433 3.204 1.00 0.00 N ATOM 722 CA LEU A 51 3.359 3.795 1.791 1.00 0.00 C ATOM 723 C LEU A 51 4.151 5.074 1.536 1.00 0.00 C ATOM 724 O LEU A 51 4.365 5.876 2.445 1.00 0.00 O ATOM 725 CB LEU A 51 1.912 3.977 1.330 1.00 0.00 C ATOM 726 CG LEU A 51 0.992 2.770 1.517 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.343 2.802 2.891 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.068 2.734 0.425 1.00 0.00 C ATOM 0 H LEU A 51 2.955 4.110 3.825 1.00 0.00 H new ATOM 0 HA LEU A 51 3.816 2.986 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.484 4.822 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.919 4.243 0.273 1.00 0.00 H new ATOM 0 HG LEU A 51 1.593 1.864 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.308 1.935 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.116 2.780 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.245 3.714 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.714 1.869 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.666 3.645 0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.416 2.663 -0.549 1.00 0.00 H new ATOM 740 N ARG A 52 4.581 5.259 0.292 1.00 0.00 N ATOM 741 CA ARG A 52 5.348 6.441 -0.083 1.00 0.00 C ATOM 742 C ARG A 52 4.618 7.245 -1.155 1.00 0.00 C ATOM 743 O ARG A 52 4.468 6.794 -2.291 1.00 0.00 O ATOM 744 CB ARG A 52 6.734 6.036 -0.590 1.00 0.00 C ATOM 745 CG ARG A 52 7.513 7.183 -1.214 1.00 0.00 C ATOM 746 CD ARG A 52 8.298 7.957 -0.167 1.00 0.00 C ATOM 747 NE ARG A 52 9.464 8.625 -0.740 1.00 0.00 N ATOM 748 CZ ARG A 52 10.509 7.976 -1.241 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.534 6.651 -1.239 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.533 8.654 -1.745 1.00 0.00 N ATOM 0 H ARG A 52 4.411 4.606 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 52 5.461 7.066 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.310 5.626 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.624 5.240 -1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.197 6.792 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.825 7.856 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.648 8.698 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.621 7.276 0.621 1.00 0.00 H new ATOM 0 HE ARG A 52 9.476 9.645 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.749 6.127 -0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.338 6.156 -1.624 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.518 9.674 -1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.335 8.155 -2.130 1.00 0.00 H new ATOM 764 N PHE A 53 4.165 8.439 -0.786 1.00 0.00 N ATOM 765 CA PHE A 53 3.449 9.305 -1.715 1.00 0.00 C ATOM 766 C PHE A 53 4.310 10.498 -2.120 1.00 0.00 C ATOM 767 O PHE A 53 5.158 10.954 -1.352 1.00 0.00 O ATOM 768 CB PHE A 53 2.143 9.796 -1.084 1.00 0.00 C ATOM 769 CG PHE A 53 1.137 8.703 -0.863 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.170 7.935 0.290 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.158 8.442 -1.808 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.246 6.929 0.497 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.769 7.438 -1.606 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.725 6.679 -0.453 1.00 0.00 C ATOM 0 H PHE A 53 4.281 8.828 0.150 1.00 0.00 H new ATOM 0 HA PHE A 53 3.218 8.725 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.366 10.272 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.703 10.560 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.927 8.125 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.119 9.030 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.283 6.339 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.528 7.247 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.448 5.892 -0.295 1.00 0.00 H new ATOM 784 N ILE A 54 4.086 10.997 -3.331 1.00 0.00 N ATOM 785 CA ILE A 54 4.841 12.136 -3.838 1.00 0.00 C ATOM 786 C ILE A 54 4.652 13.361 -2.949 1.00 0.00 C ATOM 787 O ILE A 54 5.617 14.035 -2.591 1.00 0.00 O ATOM 788 CB ILE A 54 4.424 12.492 -5.278 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.139 13.763 -5.739 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.915 12.664 -5.365 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.406 13.799 -7.228 1.00 0.00 C ATOM 0 H ILE A 54 3.388 10.631 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 54 5.891 11.845 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 54 4.715 11.675 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.537 14.629 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.086 13.852 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.636 12.915 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.425 11.735 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.601 13.465 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.915 14.728 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.034 12.953 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.461 13.742 -7.769 1.00 0.00 H new ATOM 803 N ASN A 55 3.402 13.641 -2.596 1.00 0.00 N ATOM 804 CA ASN A 55 3.086 14.785 -1.747 1.00 0.00 C ATOM 805 C ASN A 55 1.934 14.458 -0.802 1.00 0.00 C ATOM 806 O ASN A 55 1.236 13.460 -0.980 1.00 0.00 O ATOM 807 CB ASN A 55 2.729 16.000 -2.605 1.00 0.00 C ATOM 808 CG ASN A 55 3.957 16.728 -3.115 1.00 0.00 C ATOM 809 OD1 ASN A 55 5.002 16.737 -2.465 1.00 0.00 O ATOM 810 ND2 ASN A 55 3.835 17.344 -4.286 1.00 0.00 N ATOM 0 H ASN A 55 2.592 13.092 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 55 3.967 15.018 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.123 15.678 -3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.119 16.688 -2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.627 17.851 -4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.949 17.310 -4.790 1.00 0.00 H new ATOM 817 N GLN A 56 1.741 15.308 0.202 1.00 0.00 N ATOM 818 CA GLN A 56 0.673 15.109 1.175 1.00 0.00 C ATOM 819 C GLN A 56 -0.650 14.807 0.478 1.00 0.00 C ATOM 820 O GLN A 56 -1.322 13.827 0.799 1.00 0.00 O ATOM 821 CB GLN A 56 0.524 16.348 2.060 1.00 0.00 C ATOM 822 CG GLN A 56 -0.522 16.193 3.153 1.00 0.00 C ATOM 823 CD GLN A 56 0.056 15.635 4.439 1.00 0.00 C ATOM 824 OE1 GLN A 56 1.262 15.413 4.546 1.00 0.00 O ATOM 825 NE2 GLN A 56 -0.805 15.404 5.423 1.00 0.00 N ATOM 0 H GLN A 56 2.309 16.140 0.363 1.00 0.00 H new ATOM 0 HA GLN A 56 0.938 14.255 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.486 16.574 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.261 17.201 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.978 17.162 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.316 15.535 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.797 15.603 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.475 15.028 6.312 1.00 0.00 H new ATOM 834 N ASP A 57 -1.017 15.654 -0.477 1.00 0.00 N ATOM 835 CA ASP A 57 -2.259 15.477 -1.220 1.00 0.00 C ATOM 836 C ASP A 57 -2.457 14.015 -1.607 1.00 0.00 C ATOM 837 O ASP A 57 -3.346 13.340 -1.087 1.00 0.00 O ATOM 838 CB ASP A 57 -2.257 16.353 -2.474 1.00 0.00 C ATOM 839 CG ASP A 57 -3.639 16.500 -3.080 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.605 16.697 -2.314 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.754 16.418 -4.321 1.00 0.00 O ATOM 0 H ASP A 57 -0.472 16.470 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.085 15.779 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.866 17.339 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.583 15.921 -3.214 1.00 0.00 H new ATOM 846 N SER A 58 -1.624 13.532 -2.522 1.00 0.00 N ATOM 847 CA SER A 58 -1.710 12.151 -2.982 1.00 0.00 C ATOM 848 C SER A 58 -1.874 11.195 -1.804 1.00 0.00 C ATOM 849 O SER A 58 -2.610 10.212 -1.885 1.00 0.00 O ATOM 850 CB SER A 58 -0.463 11.779 -3.785 1.00 0.00 C ATOM 851 OG SER A 58 -0.599 12.157 -5.144 1.00 0.00 O ATOM 0 H SER A 58 -0.881 14.077 -2.960 1.00 0.00 H new ATOM 0 HA SER A 58 -2.586 12.063 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.410 12.269 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.291 10.705 -3.719 1.00 0.00 H new ATOM 0 HG SER A 58 0.212 11.910 -5.635 1.00 0.00 H new ATOM 857 N ALA A 59 -1.182 11.492 -0.709 1.00 0.00 N ATOM 858 CA ALA A 59 -1.251 10.662 0.487 1.00 0.00 C ATOM 859 C ALA A 59 -2.611 10.788 1.165 1.00 0.00 C ATOM 860 O ALA A 59 -3.126 9.822 1.726 1.00 0.00 O ATOM 861 CB ALA A 59 -0.139 11.038 1.456 1.00 0.00 C ATOM 0 H ALA A 59 -0.567 12.302 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.119 9.623 0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.203 10.410 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.828 10.889 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.245 12.084 1.743 1.00 0.00 H new ATOM 867 N GLU A 60 -3.186 11.986 1.110 1.00 0.00 N ATOM 868 CA GLU A 60 -4.486 12.237 1.721 1.00 0.00 C ATOM 869 C GLU A 60 -5.556 11.334 1.114 1.00 0.00 C ATOM 870 O GLU A 60 -6.106 10.465 1.790 1.00 0.00 O ATOM 871 CB GLU A 60 -4.882 13.705 1.545 1.00 0.00 C ATOM 872 CG GLU A 60 -4.000 14.670 2.320 1.00 0.00 C ATOM 873 CD GLU A 60 -4.735 15.932 2.728 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.687 15.830 3.530 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.359 17.020 2.245 1.00 0.00 O ATOM 0 H GLU A 60 -2.772 12.797 0.649 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.408 12.014 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.841 13.959 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.916 13.835 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.618 14.172 3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.137 14.938 1.710 1.00 0.00 H new ATOM 882 N ARG A 61 -5.846 11.547 -0.165 1.00 0.00 N ATOM 883 CA ARG A 61 -6.851 10.755 -0.863 1.00 0.00 C ATOM 884 C ARG A 61 -6.806 9.299 -0.410 1.00 0.00 C ATOM 885 O ARG A 61 -7.834 8.624 -0.352 1.00 0.00 O ATOM 886 CB ARG A 61 -6.635 10.836 -2.376 1.00 0.00 C ATOM 887 CG ARG A 61 -6.632 12.257 -2.915 1.00 0.00 C ATOM 888 CD ARG A 61 -6.287 12.290 -4.396 1.00 0.00 C ATOM 889 NE ARG A 61 -6.932 13.406 -5.083 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.221 13.424 -5.405 1.00 0.00 C ATOM 891 NH1 ARG A 61 -8.998 12.394 -5.103 1.00 0.00 N ATOM 892 NH2 ARG A 61 -8.735 14.476 -6.030 1.00 0.00 N ATOM 0 H ARG A 61 -5.399 12.262 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.832 11.163 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.687 10.360 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.418 10.268 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.611 12.709 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.912 12.857 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.206 12.367 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.593 11.353 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.362 14.215 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.607 11.584 -4.622 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.987 12.411 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.140 15.271 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.725 14.489 -6.277 1.00 0.00 H new ATOM 906 N ALA A 62 -5.608 8.820 -0.090 1.00 0.00 N ATOM 907 CA ALA A 62 -5.430 7.445 0.360 1.00 0.00 C ATOM 908 C ALA A 62 -5.743 7.308 1.846 1.00 0.00 C ATOM 909 O ALA A 62 -6.347 6.325 2.273 1.00 0.00 O ATOM 910 CB ALA A 62 -4.011 6.976 0.073 1.00 0.00 C ATOM 0 H ALA A 62 -4.746 9.364 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.129 6.815 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.892 5.948 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.821 7.027 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.303 7.617 0.598 1.00 0.00 H new ATOM 916 N GLN A 63 -5.329 8.300 2.627 1.00 0.00 N ATOM 917 CA GLN A 63 -5.565 8.288 4.066 1.00 0.00 C ATOM 918 C GLN A 63 -7.054 8.408 4.374 1.00 0.00 C ATOM 919 O GLN A 63 -7.549 7.821 5.337 1.00 0.00 O ATOM 920 CB GLN A 63 -4.799 9.429 4.739 1.00 0.00 C ATOM 921 CG GLN A 63 -4.789 9.342 6.257 1.00 0.00 C ATOM 922 CD GLN A 63 -5.960 10.066 6.891 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.647 10.851 6.237 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.195 9.804 8.172 1.00 0.00 N ATOM 0 H GLN A 63 -4.829 9.122 2.288 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.207 7.337 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.771 9.429 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.242 10.379 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.809 8.294 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.858 9.764 6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.600 9.146 8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.971 10.261 8.652 1.00 0.00 H new ATOM 933 N LYS A 64 -7.764 9.173 3.551 1.00 0.00 N ATOM 934 CA LYS A 64 -9.197 9.370 3.734 1.00 0.00 C ATOM 935 C LYS A 64 -9.987 8.220 3.119 1.00 0.00 C ATOM 936 O LYS A 64 -11.122 7.952 3.515 1.00 0.00 O ATOM 937 CB LYS A 64 -9.634 10.696 3.107 1.00 0.00 C ATOM 938 CG LYS A 64 -9.628 10.682 1.588 1.00 0.00 C ATOM 939 CD LYS A 64 -10.966 10.226 1.030 1.00 0.00 C ATOM 940 CE LYS A 64 -11.956 11.378 0.944 1.00 0.00 C ATOM 941 NZ LYS A 64 -13.050 11.098 -0.026 1.00 0.00 N ATOM 0 H LYS A 64 -7.370 9.667 2.750 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.401 9.396 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.638 10.940 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.973 11.489 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.398 11.680 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.839 10.019 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.820 9.795 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.376 9.439 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.383 11.564 1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.431 12.286 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.703 11.907 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.645 10.946 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.567 10.246 0.271 1.00 0.00 H new ATOM 955 N ARG A 65 -9.380 7.542 2.150 1.00 0.00 N ATOM 956 CA ARG A 65 -10.027 6.420 1.481 1.00 0.00 C ATOM 957 C ARG A 65 -9.766 5.116 2.230 1.00 0.00 C ATOM 958 O ARG A 65 -10.685 4.510 2.780 1.00 0.00 O ATOM 959 CB ARG A 65 -9.529 6.302 0.040 1.00 0.00 C ATOM 960 CG ARG A 65 -9.709 4.915 -0.555 1.00 0.00 C ATOM 961 CD ARG A 65 -11.180 4.551 -0.687 1.00 0.00 C ATOM 962 NE ARG A 65 -11.398 3.503 -1.680 1.00 0.00 N ATOM 963 CZ ARG A 65 -11.435 3.727 -2.989 1.00 0.00 C ATOM 964 NH1 ARG A 65 -11.269 4.956 -3.459 1.00 0.00 N ATOM 965 NH2 ARG A 65 -11.638 2.721 -3.830 1.00 0.00 N ATOM 0 H ARG A 65 -8.441 7.750 1.811 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.101 6.605 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.060 7.025 -0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.472 6.568 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.234 4.874 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.206 4.180 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.559 4.219 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.749 5.438 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.529 2.547 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.113 5.731 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.298 5.126 -4.464 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.766 1.775 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.666 2.894 -4.835 1.00 0.00 H new ATOM 979 N MET A 66 -8.507 4.691 2.245 1.00 0.00 N ATOM 980 CA MET A 66 -8.125 3.459 2.927 1.00 0.00 C ATOM 981 C MET A 66 -8.778 3.374 4.302 1.00 0.00 C ATOM 982 O MET A 66 -9.360 2.351 4.660 1.00 0.00 O ATOM 983 CB MET A 66 -6.603 3.379 3.066 1.00 0.00 C ATOM 984 CG MET A 66 -5.897 2.961 1.786 1.00 0.00 C ATOM 985 SD MET A 66 -4.144 2.621 2.039 1.00 0.00 S ATOM 986 CE MET A 66 -3.402 3.935 1.076 1.00 0.00 C ATOM 0 H MET A 66 -7.734 5.181 1.793 1.00 0.00 H new ATOM 0 HA MET A 66 -8.473 2.618 2.327 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.223 4.351 3.380 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.355 2.670 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.381 2.072 1.382 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.006 3.749 1.041 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.797 3.504 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.186 4.555 0.642 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.771 4.547 1.721 1.00 0.00 H new ATOM 996 N GLU A 67 -8.676 4.455 5.069 1.00 0.00 N ATOM 997 CA GLU A 67 -9.257 4.500 6.406 1.00 0.00 C ATOM 998 C GLU A 67 -10.651 3.879 6.415 1.00 0.00 C ATOM 999 O GLU A 67 -11.041 3.220 7.377 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.327 5.944 6.907 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.325 6.804 6.150 1.00 0.00 C ATOM 1002 CD GLU A 67 -10.651 8.095 6.875 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -10.491 8.138 8.113 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -11.067 9.063 6.204 1.00 0.00 O ATOM 0 H GLU A 67 -8.197 5.311 4.788 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.616 3.922 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.592 5.940 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.338 6.395 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.923 7.037 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.243 6.237 5.995 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.396 4.096 5.336 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.746 3.559 5.219 1.00 0.00 C ATOM 1013 C ASN A 68 -12.743 2.239 4.454 1.00 0.00 C ATOM 1014 O ASN A 68 -13.694 1.462 4.534 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.659 4.566 4.517 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.692 5.908 5.223 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.242 6.918 4.683 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -14.227 5.923 6.439 1.00 0.00 N ATOM 0 H ASN A 68 -11.087 4.640 4.530 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.125 3.375 6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.319 4.707 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.670 4.161 4.465 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.277 6.796 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.588 5.061 6.848 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.666 1.994 3.714 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.540 0.768 2.934 1.00 0.00 C ATOM 1027 C GLU A 69 -11.317 -0.436 3.845 1.00 0.00 C ATOM 1028 O GLU A 69 -10.921 -0.288 5.002 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.385 0.888 1.937 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.397 -0.184 0.861 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.795 -0.500 0.367 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.463 0.420 -0.149 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.221 -1.667 0.496 1.00 0.00 O ATOM 0 H GLU A 69 -10.870 2.627 3.638 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.470 0.619 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.426 1.868 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.441 0.836 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.784 0.143 0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.941 -1.093 1.254 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.574 -1.627 3.316 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.401 -2.857 4.080 1.00 0.00 C ATOM 1042 C ASP A 70 -10.616 -3.889 3.277 1.00 0.00 C ATOM 1043 O ASP A 70 -11.190 -4.660 2.507 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.761 -3.430 4.480 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.676 -2.382 5.083 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.173 -1.507 5.819 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.895 -2.436 4.818 1.00 0.00 O ATOM 0 H ASP A 70 -11.903 -1.767 2.361 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.837 -2.619 4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.240 -3.866 3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.615 -4.237 5.198 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.299 -3.899 3.462 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.435 -4.837 2.756 1.00 0.00 C ATOM 1054 C VAL A 71 -9.104 -6.200 2.613 1.00 0.00 C ATOM 1055 O VAL A 71 -9.084 -6.804 1.540 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.087 -5.012 3.479 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.263 -6.106 2.816 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.321 -3.698 3.504 1.00 0.00 C ATOM 0 H VAL A 71 -8.808 -3.268 4.095 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.256 -4.418 1.766 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.283 -5.311 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.314 -6.215 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.810 -7.048 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.074 -5.840 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.371 -3.840 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.134 -3.366 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.908 -2.944 4.028 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.696 -6.679 3.702 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.371 -7.972 3.699 1.00 0.00 C ATOM 1070 C PHE A 72 -11.255 -8.126 4.932 1.00 0.00 C ATOM 1071 O PHE A 72 -10.761 -8.278 6.049 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.345 -9.106 3.647 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.895 -9.444 2.254 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.811 -9.836 1.292 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.555 -9.371 1.909 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.400 -10.147 0.009 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.139 -9.681 0.628 1.00 0.00 C ATOM 1078 CZ PHE A 72 -8.062 -10.071 -0.323 1.00 0.00 C ATOM 0 H PHE A 72 -9.722 -6.192 4.598 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.003 -8.023 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.476 -8.827 4.243 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.775 -9.996 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.859 -9.899 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.828 -9.069 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.125 -10.449 -0.733 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.092 -9.618 0.370 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.738 -10.316 -1.324 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.568 -8.086 4.721 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.501 -8.223 5.824 1.00 0.00 C ATOM 1090 C GLY A 73 -12.992 -7.577 7.098 1.00 0.00 C ATOM 1091 O GLY A 73 -13.177 -8.111 8.190 1.00 0.00 O ATOM 0 H GLY A 73 -13.001 -7.961 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.454 -7.772 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.690 -9.281 6.007 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.346 -6.424 6.957 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.806 -5.705 8.106 1.00 0.00 C ATOM 1097 C ASN A 74 -11.431 -4.275 7.726 1.00 0.00 C ATOM 1098 O ASN A 74 -10.868 -4.033 6.658 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.581 -6.435 8.660 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.732 -5.546 9.548 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.125 -5.207 10.665 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.559 -5.165 9.055 1.00 0.00 N ATOM 0 H ASN A 74 -12.184 -5.968 6.059 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.577 -5.667 8.875 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.907 -7.307 9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.975 -6.802 7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.944 -4.568 9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.274 -5.470 8.124 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.747 -3.333 8.608 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.444 -1.927 8.365 1.00 0.00 C ATOM 1111 C ARG A 75 -10.007 -1.604 8.765 1.00 0.00 C ATOM 1112 O ARG A 75 -9.480 -2.163 9.727 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.414 -1.034 9.140 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.145 0.452 8.966 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.166 0.967 10.009 1.00 0.00 C ATOM 1116 NE ARG A 75 -11.312 2.403 10.235 1.00 0.00 N ATOM 1117 CZ ARG A 75 -12.398 2.957 10.763 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -13.426 2.200 11.119 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -12.455 4.272 10.937 1.00 0.00 N ATOM 0 H ARG A 75 -12.212 -3.517 9.497 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.558 -1.735 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.432 -1.251 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.357 -1.283 10.200 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.746 0.636 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.082 1.004 9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.323 0.435 10.947 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.147 0.752 9.687 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.538 3.014 9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.385 1.189 10.988 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.258 2.628 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.665 4.857 10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.289 4.697 11.342 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.381 -0.699 8.020 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.006 -0.302 8.297 1.00 0.00 C ATOM 1135 C ILE A 76 -7.933 1.159 8.728 1.00 0.00 C ATOM 1136 O ILE A 76 -8.814 1.957 8.406 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.102 -0.509 7.068 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.774 0.050 5.813 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.780 -1.986 6.891 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.933 -0.092 4.563 1.00 0.00 C ATOM 0 H ILE A 76 -9.804 -0.227 7.221 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.651 -0.936 9.109 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.168 0.030 7.227 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.725 -0.461 5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.001 1.104 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.140 -2.117 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.264 -2.355 7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.705 -2.546 6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.472 0.325 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.992 0.443 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.728 -1.147 4.380 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.876 1.504 9.455 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.686 2.869 9.927 1.00 0.00 C ATOM 1154 C ILE A 77 -5.410 3.477 9.353 1.00 0.00 C ATOM 1155 O ILE A 77 -4.314 2.959 9.565 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.624 2.930 11.465 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.851 2.250 12.074 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.524 4.374 11.934 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.721 1.984 13.557 1.00 0.00 C ATOM 0 H ILE A 77 -6.138 0.856 9.730 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.546 3.444 9.583 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.734 2.397 11.800 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.726 2.876 11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.027 1.306 11.558 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.481 4.401 13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.622 4.828 11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.397 4.929 11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.628 1.500 13.921 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.865 1.333 13.736 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.576 2.927 14.084 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.561 4.580 8.627 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.421 5.260 8.024 1.00 0.00 C ATOM 1173 C VAL A 78 -4.110 6.562 8.755 1.00 0.00 C ATOM 1174 O VAL A 78 -4.982 7.412 8.930 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.673 5.568 6.536 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.385 6.004 5.855 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.272 4.357 5.837 1.00 0.00 C ATOM 0 H VAL A 78 -6.462 5.022 8.442 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.569 4.585 8.108 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.387 6.389 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.583 6.217 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.002 6.901 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.646 5.207 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.444 4.591 4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.583 3.515 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.219 4.095 6.310 1.00 0.00 H new ATOM 1187 N SER A 79 -2.859 6.711 9.180 1.00 0.00 N ATOM 1188 CA SER A 79 -2.432 7.908 9.895 1.00 0.00 C ATOM 1189 C SER A 79 -1.120 8.441 9.326 1.00 0.00 C ATOM 1190 O SER A 79 -0.312 7.686 8.786 1.00 0.00 O ATOM 1191 CB SER A 79 -2.269 7.606 11.386 1.00 0.00 C ATOM 1192 OG SER A 79 -2.552 8.750 12.172 1.00 0.00 O ATOM 0 H SER A 79 -2.124 6.018 9.041 1.00 0.00 H new ATOM 0 HA SER A 79 -3.200 8.671 9.768 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.936 6.792 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.251 7.268 11.583 1.00 0.00 H new ATOM 0 HG SER A 79 -2.442 8.530 13.121 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.917 9.748 9.452 1.00 0.00 N ATOM 1199 CA PHE A 80 0.296 10.385 8.950 1.00 0.00 C ATOM 1200 C PHE A 80 1.423 10.291 9.974 1.00 0.00 C ATOM 1201 O PHE A 80 2.594 10.488 9.647 1.00 0.00 O ATOM 1202 CB PHE A 80 0.023 11.851 8.608 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.841 12.032 7.393 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -0.416 11.586 6.152 1.00 0.00 C ATOM 1205 CD2 PHE A 80 -2.077 12.650 7.491 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -1.208 11.751 5.031 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -2.874 12.817 6.374 1.00 0.00 C ATOM 1208 CZ PHE A 80 -2.438 12.368 5.143 1.00 0.00 C ATOM 0 H PHE A 80 -1.576 10.387 9.897 1.00 0.00 H new ATOM 0 HA PHE A 80 0.605 9.860 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.457 12.331 9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.973 12.361 8.448 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.546 11.104 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.422 13.005 8.451 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.865 11.398 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.837 13.298 6.464 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.059 12.499 4.269 1.00 0.00 H new ATOM 1218 N THR A 81 1.061 9.989 11.218 1.00 0.00 N ATOM 1219 CA THR A 81 2.040 9.871 12.291 1.00 0.00 C ATOM 1220 C THR A 81 2.090 8.448 12.835 1.00 0.00 C ATOM 1221 O THR A 81 1.116 7.698 12.769 1.00 0.00 O ATOM 1222 CB THR A 81 1.727 10.840 13.446 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.383 10.643 13.900 1.00 0.00 O ATOM 1224 CG2 THR A 81 1.913 12.284 13.007 1.00 0.00 C ATOM 0 H THR A 81 0.097 9.822 11.506 1.00 0.00 H new ATOM 0 HA THR A 81 3.010 10.128 11.864 1.00 0.00 H new ATOM 0 HB THR A 81 2.420 10.633 14.262 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.192 11.262 14.636 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.686 12.950 13.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.944 12.438 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.242 12.501 12.176 1.00 0.00 H new ATOM 1232 N PRO A 82 3.250 8.065 13.388 1.00 0.00 N ATOM 1233 CA PRO A 82 3.454 6.729 13.956 1.00 0.00 C ATOM 1234 C PRO A 82 2.660 6.518 15.241 1.00 0.00 C ATOM 1235 O PRO A 82 2.460 7.451 16.020 1.00 0.00 O ATOM 1236 CB PRO A 82 4.957 6.691 14.244 1.00 0.00 C ATOM 1237 CG PRO A 82 5.345 8.119 14.420 1.00 0.00 C ATOM 1238 CD PRO A 82 4.453 8.907 13.501 1.00 0.00 C ATOM 0 HA PRO A 82 3.116 5.943 13.280 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.174 6.109 15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.506 6.230 13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.214 8.434 15.455 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.395 8.272 14.170 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.219 9.889 13.913 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.921 9.071 12.530 1.00 0.00 H new ATOM 1246 N LYS A 83 2.209 5.287 15.457 1.00 0.00 N ATOM 1247 CA LYS A 83 1.438 4.953 16.649 1.00 0.00 C ATOM 1248 C LYS A 83 2.358 4.557 17.799 1.00 0.00 C ATOM 1249 O LYS A 83 2.028 4.757 18.967 1.00 0.00 O ATOM 1250 CB LYS A 83 0.463 3.812 16.347 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.541 4.144 15.257 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.779 4.818 15.825 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.794 3.797 16.315 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.171 4.364 16.366 1.00 0.00 N ATOM 0 H LYS A 83 2.364 4.504 14.822 1.00 0.00 H new ATOM 0 HA LYS A 83 0.874 5.837 16.946 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.030 2.929 16.051 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.075 3.554 17.259 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.076 4.798 14.520 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.829 3.231 14.736 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.493 5.472 16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.235 5.448 15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.783 2.929 15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.508 3.448 17.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.833 3.637 16.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.188 5.177 17.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.454 4.674 15.415 1.00 0.00 H new