USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 35 THR OG1 : rot 175:sc= -0.293! USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.0086 USER MOD Single : A 1 CYS N :NH3+ -106:sc= 0.0568 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00733 USER MOD Single : A 7 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.13) USER MOD Single : A 11 TYR OH : rot -36:sc= 1.19 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -100:sc= -0.0203 USER MOD Single : A 20 MET CE :methyl -116:sc= -1.48 (180deg=-1.7) USER MOD Single : A 22 TYR OH : rot -130:sc= -0.0531 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= -0.19 (180deg=-1.06) USER MOD Single : A 27 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.18) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -120:sc=-0.00395 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= -0.553 (180deg=-2.41!) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= 1.33 (180deg=0.594) USER MOD Single : A 51 GLN : amide:sc= -0.0289 X(o=-0.029,f=-0.25) USER MOD Single : A 54 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 56 ASN : amide:sc= -12.5! C(o=-13!,f=-12!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 172:sc= 0.244 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 143:sc= 1.31 (180deg=1.15) USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.755 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.873 -0.838 0.534 1.00 54.13 N ATOM 2 CA CYS A 1 1.423 -0.664 -0.800 1.00 24.44 C ATOM 3 C CYS A 1 0.793 -1.712 -1.720 1.00 0.52 C ATOM 4 O CYS A 1 0.469 -2.814 -1.281 1.00 53.11 O ATOM 5 CB CYS A 1 2.951 -0.753 -0.796 1.00 51.35 C ATOM 6 SG CYS A 1 3.623 -2.436 -1.050 1.00 13.13 S ATOM 0 H1 CYS A 1 0.197 -0.073 0.733 1.00 54.13 H new ATOM 0 H2 CYS A 1 0.385 -1.755 0.592 1.00 54.13 H new ATOM 0 H3 CYS A 1 1.643 -0.811 1.233 1.00 54.13 H new ATOM 0 HA CYS A 1 1.182 0.333 -1.169 1.00 24.44 H new ATOM 0 HB2 CYS A 1 3.341 -0.100 -1.577 1.00 51.35 H new ATOM 0 HB3 CYS A 1 3.321 -0.369 0.155 1.00 51.35 H new ATOM 11 N TYR A 2 0.638 -1.330 -2.979 1.00 43.11 N ATOM 12 CA TYR A 2 0.053 -2.222 -3.965 1.00 35.20 C ATOM 13 C TYR A 2 1.120 -2.762 -4.919 1.00 41.10 C ATOM 14 O TYR A 2 2.145 -2.118 -5.138 1.00 0.14 O ATOM 15 CB TYR A 2 -0.944 -1.376 -4.760 1.00 31.31 C ATOM 16 CG TYR A 2 -2.208 -1.008 -3.981 1.00 33.13 C ATOM 17 CD1 TYR A 2 -2.959 -1.996 -3.376 1.00 64.30 C ATOM 18 CD2 TYR A 2 -2.598 0.312 -3.882 1.00 74.04 C ATOM 19 CE1 TYR A 2 -4.148 -1.650 -2.643 1.00 14.23 C ATOM 20 CE2 TYR A 2 -3.788 0.658 -3.149 1.00 52.50 C ATOM 21 CZ TYR A 2 -4.504 -0.340 -2.565 1.00 55.53 C ATOM 22 OH TYR A 2 -5.628 -0.012 -1.873 1.00 32.33 O ATOM 0 H TYR A 2 0.908 -0.414 -3.339 1.00 43.11 H new ATOM 0 HA TYR A 2 -0.418 -3.076 -3.478 1.00 35.20 H new ATOM 0 HB2 TYR A 2 -0.450 -0.460 -5.084 1.00 31.31 H new ATOM 0 HB3 TYR A 2 -1.230 -1.920 -5.660 1.00 31.31 H new ATOM 0 HD1 TYR A 2 -2.654 -3.029 -3.453 1.00 64.30 H new ATOM 0 HD2 TYR A 2 -2.011 1.086 -4.354 1.00 74.04 H new ATOM 0 HE1 TYR A 2 -4.744 -2.414 -2.166 1.00 14.23 H new ATOM 0 HE2 TYR A 2 -4.105 1.687 -3.065 1.00 52.50 H new ATOM 0 HH TYR A 2 -5.758 0.959 -1.901 1.00 32.33 H new ATOM 32 N VAL A 3 0.843 -3.938 -5.462 1.00 31.45 N ATOM 33 CA VAL A 3 1.767 -4.572 -6.387 1.00 73.00 C ATOM 34 C VAL A 3 0.999 -5.048 -7.622 1.00 34.35 C ATOM 35 O VAL A 3 -0.051 -5.658 -7.567 1.00 72.12 O ATOM 36 CB VAL A 3 2.523 -5.700 -5.682 1.00 1.43 C ATOM 37 CG1 VAL A 3 2.817 -6.850 -6.647 1.00 11.04 C ATOM 38 CG2 VAL A 3 3.811 -5.179 -5.041 1.00 42.41 C ATOM 0 H VAL A 3 -0.009 -4.469 -5.279 1.00 31.45 H new ATOM 0 HA VAL A 3 2.518 -3.858 -6.726 1.00 73.00 H new ATOM 0 HB VAL A 3 1.885 -6.085 -4.887 1.00 1.43 H new ATOM 0 HG11 VAL A 3 3.355 -7.638 -6.120 1.00 11.04 H new ATOM 0 HG12 VAL A 3 1.879 -7.248 -7.036 1.00 11.04 H new ATOM 0 HG13 VAL A 3 3.426 -6.485 -7.474 1.00 11.04 H new ATOM 0 HG21 VAL A 3 4.329 -6.000 -4.547 1.00 42.41 H new ATOM 0 HG22 VAL A 3 4.455 -4.755 -5.811 1.00 42.41 H new ATOM 0 HG23 VAL A 3 3.567 -4.410 -4.308 1.00 42.41 H new ATOM 48 N ASP A 4 1.554 -4.752 -8.764 1.00 74.33 N ATOM 49 CA ASP A 4 0.906 -5.167 -10.041 1.00 11.53 C ATOM 50 C ASP A 4 1.541 -6.464 -10.553 1.00 15.31 C ATOM 51 O ASP A 4 2.745 -6.628 -10.366 1.00 20.32 O ATOM 52 CB ASP A 4 1.175 -4.017 -11.012 1.00 40.13 C ATOM 53 CG ASP A 4 0.600 -4.363 -12.386 1.00 74.04 C ATOM 54 OD1 ASP A 4 -0.073 -5.376 -12.488 1.00 21.52 O ATOM 55 OD2 ASP A 4 0.841 -3.611 -13.316 1.00 44.32 O ATOM 0 H ASP A 4 2.430 -4.240 -8.869 1.00 74.33 H new ATOM 0 HA ASP A 4 -0.161 -5.358 -9.924 1.00 11.53 H new ATOM 0 HB2 ASP A 4 0.723 -3.098 -10.638 1.00 40.13 H new ATOM 0 HB3 ASP A 4 2.247 -3.836 -11.090 1.00 40.13 H new ATOM 60 N THR A 5 0.750 -7.334 -11.164 1.00 42.12 N ATOM 61 CA THR A 5 1.273 -8.590 -11.674 1.00 41.13 C ATOM 62 C THR A 5 1.375 -8.545 -13.200 1.00 41.42 C ATOM 63 O THR A 5 1.546 -9.578 -13.845 1.00 41.24 O ATOM 64 CB THR A 5 0.379 -9.719 -11.158 1.00 54.23 C ATOM 65 OG1 THR A 5 -0.921 -9.374 -11.629 1.00 35.21 O ATOM 66 CG2 THR A 5 0.239 -9.705 -9.635 1.00 20.53 C ATOM 0 H THR A 5 -0.249 -7.194 -11.317 1.00 42.12 H new ATOM 0 HA THR A 5 2.287 -8.770 -11.317 1.00 41.13 H new ATOM 0 HB THR A 5 0.786 -10.679 -11.476 1.00 54.23 H new ATOM 0 HG1 THR A 5 -1.565 -10.055 -11.341 1.00 35.21 H new ATOM 0 HG21 THR A 5 -0.405 -10.526 -9.321 1.00 20.53 H new ATOM 0 HG22 THR A 5 1.222 -9.820 -9.178 1.00 20.53 H new ATOM 0 HG23 THR A 5 -0.200 -8.759 -9.319 1.00 20.53 H new ATOM 74 N ASN A 6 1.266 -7.337 -13.733 1.00 12.51 N ATOM 75 CA ASN A 6 1.344 -7.143 -15.171 1.00 14.11 C ATOM 76 C ASN A 6 2.641 -6.407 -15.513 1.00 31.33 C ATOM 77 O ASN A 6 3.163 -6.544 -16.618 1.00 2.41 O ATOM 78 CB ASN A 6 0.173 -6.297 -15.677 1.00 23.22 C ATOM 79 CG ASN A 6 -1.132 -6.698 -14.986 1.00 62.13 C ATOM 80 OD1 ASN A 6 -1.997 -5.882 -14.716 1.00 13.13 O ATOM 81 ND2 ASN A 6 -1.224 -7.997 -14.717 1.00 74.21 N ATOM 0 H ASN A 6 1.124 -6.482 -13.195 1.00 12.51 H new ATOM 0 HA ASN A 6 1.312 -8.124 -15.645 1.00 14.11 H new ATOM 0 HB2 ASN A 6 0.376 -5.242 -15.494 1.00 23.22 H new ATOM 0 HB3 ASN A 6 0.070 -6.420 -16.755 1.00 23.22 H new ATOM 0 HD21 ASN A 6 -2.057 -8.365 -14.257 1.00 74.21 H new ATOM 0 HD22 ASN A 6 -0.462 -8.626 -14.971 1.00 74.21 H new ATOM 88 N ASN A 7 3.124 -5.644 -14.544 1.00 13.25 N ATOM 89 CA ASN A 7 4.350 -4.887 -14.728 1.00 0.51 C ATOM 90 C ASN A 7 4.044 -3.613 -15.518 1.00 51.14 C ATOM 91 O ASN A 7 4.894 -3.116 -16.255 1.00 42.21 O ATOM 92 CB ASN A 7 5.383 -5.695 -15.515 1.00 43.32 C ATOM 93 CG ASN A 7 6.807 -5.287 -15.131 1.00 10.11 C ATOM 94 OD1 ASN A 7 7.626 -4.935 -15.964 1.00 30.30 O ATOM 95 ND2 ASN A 7 7.055 -5.353 -13.826 1.00 21.40 N ATOM 0 H ASN A 7 2.688 -5.534 -13.628 1.00 13.25 H new ATOM 0 HA ASN A 7 4.752 -4.651 -13.743 1.00 0.51 H new ATOM 0 HB2 ASN A 7 5.241 -6.758 -15.323 1.00 43.32 H new ATOM 0 HB3 ASN A 7 5.233 -5.542 -16.584 1.00 43.32 H new ATOM 0 HD21 ASN A 7 7.976 -5.100 -13.469 1.00 21.40 H new ATOM 0 HD22 ASN A 7 6.324 -5.656 -13.183 1.00 21.40 H new ATOM 102 N ASP A 8 2.827 -3.121 -15.339 1.00 32.15 N ATOM 103 CA ASP A 8 2.398 -1.915 -16.026 1.00 12.12 C ATOM 104 C ASP A 8 2.324 -0.761 -15.024 1.00 23.02 C ATOM 105 O ASP A 8 1.657 0.241 -15.274 1.00 52.40 O ATOM 106 CB ASP A 8 1.009 -2.096 -16.641 1.00 71.01 C ATOM 107 CG ASP A 8 -0.107 -2.399 -15.640 1.00 35.43 C ATOM 108 OD1 ASP A 8 -0.175 -1.670 -14.627 1.00 23.23 O ATOM 109 OD2 ASP A 8 -0.868 -3.354 -15.910 1.00 14.50 O ATOM 0 H ASP A 8 2.124 -3.536 -14.728 1.00 32.15 H new ATOM 0 HA ASP A 8 3.118 -1.703 -16.817 1.00 12.12 H new ATOM 0 HB2 ASP A 8 0.750 -1.190 -17.188 1.00 71.01 H new ATOM 0 HB3 ASP A 8 1.053 -2.906 -17.369 1.00 71.01 H new ATOM 114 N GLY A 9 3.020 -0.941 -13.910 1.00 75.05 N ATOM 115 CA GLY A 9 3.041 0.073 -12.870 1.00 24.44 C ATOM 116 C GLY A 9 1.647 0.665 -12.651 1.00 65.43 C ATOM 117 O GLY A 9 1.504 1.873 -12.469 1.00 73.51 O ATOM 0 H GLY A 9 3.573 -1.773 -13.706 1.00 75.05 H new ATOM 0 HA2 GLY A 9 3.405 -0.363 -11.940 1.00 24.44 H new ATOM 0 HA3 GLY A 9 3.737 0.866 -13.144 1.00 24.44 H new ATOM 121 N ALA A 10 0.656 -0.214 -12.677 1.00 51.30 N ATOM 122 CA ALA A 10 -0.722 0.207 -12.484 1.00 64.12 C ATOM 123 C ALA A 10 -1.478 -0.877 -11.714 1.00 73.33 C ATOM 124 O ALA A 10 -1.397 -2.057 -12.054 1.00 41.44 O ATOM 125 CB ALA A 10 -1.358 0.509 -13.842 1.00 40.43 C ATOM 0 H ALA A 10 0.779 -1.215 -12.829 1.00 51.30 H new ATOM 0 HA ALA A 10 -0.765 1.122 -11.893 1.00 64.12 H new ATOM 0 HB1 ALA A 10 -2.391 0.825 -13.698 1.00 40.43 H new ATOM 0 HB2 ALA A 10 -0.801 1.305 -14.336 1.00 40.43 H new ATOM 0 HB3 ALA A 10 -1.336 -0.387 -14.462 1.00 40.43 H new ATOM 131 N TYR A 11 -2.197 -0.439 -10.691 1.00 72.23 N ATOM 132 CA TYR A 11 -2.968 -1.358 -9.870 1.00 41.43 C ATOM 133 C TYR A 11 -4.430 -1.400 -10.320 1.00 22.13 C ATOM 134 O TYR A 11 -5.113 -0.377 -10.321 1.00 4.04 O ATOM 135 CB TYR A 11 -2.901 -0.807 -8.445 1.00 2.44 C ATOM 136 CG TYR A 11 -1.477 -0.606 -7.921 1.00 72.43 C ATOM 137 CD1 TYR A 11 -0.577 -1.653 -7.951 1.00 14.40 C ATOM 138 CD2 TYR A 11 -1.093 0.620 -7.420 1.00 5.45 C ATOM 139 CE1 TYR A 11 0.763 -1.464 -7.458 1.00 75.24 C ATOM 140 CE2 TYR A 11 0.247 0.809 -6.927 1.00 24.20 C ATOM 141 CZ TYR A 11 1.109 -0.243 -6.971 1.00 12.32 C ATOM 142 OH TYR A 11 2.374 -0.065 -6.506 1.00 3.24 O ATOM 0 H TYR A 11 -2.262 0.540 -10.412 1.00 72.23 H new ATOM 0 HA TYR A 11 -2.569 -2.369 -9.946 1.00 41.43 H new ATOM 0 HB2 TYR A 11 -3.428 0.147 -8.410 1.00 2.44 H new ATOM 0 HB3 TYR A 11 -3.430 -1.488 -7.778 1.00 2.44 H new ATOM 0 HD1 TYR A 11 -0.878 -2.613 -8.344 1.00 14.40 H new ATOM 0 HD2 TYR A 11 -1.797 1.439 -7.397 1.00 5.45 H new ATOM 0 HE1 TYR A 11 1.477 -2.274 -7.475 1.00 75.24 H new ATOM 0 HE2 TYR A 11 0.560 1.764 -6.531 1.00 24.20 H new ATOM 0 HH TYR A 11 2.678 -0.885 -6.064 1.00 3.24 H new ATOM 152 N GLU A 12 -4.867 -2.594 -10.691 1.00 31.42 N ATOM 153 CA GLU A 12 -6.235 -2.784 -11.141 1.00 55.33 C ATOM 154 C GLU A 12 -6.606 -4.268 -11.106 1.00 4.23 C ATOM 155 O GLU A 12 -6.038 -5.071 -11.845 1.00 52.41 O ATOM 156 CB GLU A 12 -6.437 -2.202 -12.542 1.00 11.22 C ATOM 157 CG GLU A 12 -5.788 -3.091 -13.604 1.00 21.51 C ATOM 158 CD GLU A 12 -4.352 -3.449 -13.216 1.00 63.31 C ATOM 159 OE1 GLU A 12 -3.612 -2.510 -12.850 1.00 60.41 O ATOM 160 OE2 GLU A 12 -4.026 -4.654 -13.295 1.00 10.44 O ATOM 0 H GLU A 12 -4.297 -3.440 -10.689 1.00 31.42 H new ATOM 0 HA GLU A 12 -6.897 -2.248 -10.461 1.00 55.33 H new ATOM 0 HB2 GLU A 12 -7.503 -2.102 -12.748 1.00 11.22 H new ATOM 0 HB3 GLU A 12 -6.008 -1.201 -12.589 1.00 11.22 H new ATOM 0 HG2 GLU A 12 -6.373 -4.002 -13.728 1.00 21.51 H new ATOM 0 HG3 GLU A 12 -5.791 -2.577 -14.565 1.00 21.51 H new ATOM 167 N GLY A 13 -7.555 -4.588 -10.239 1.00 1.43 N ATOM 168 CA GLY A 13 -8.007 -5.961 -10.097 1.00 74.21 C ATOM 169 C GLY A 13 -7.548 -6.555 -8.764 1.00 64.32 C ATOM 170 O GLY A 13 -7.877 -6.032 -7.701 1.00 30.33 O ATOM 0 H GLY A 13 -8.024 -3.919 -9.627 1.00 1.43 H new ATOM 0 HA2 GLY A 13 -9.095 -5.998 -10.160 1.00 74.21 H new ATOM 0 HA3 GLY A 13 -7.619 -6.562 -10.920 1.00 74.21 H new ATOM 174 N ASP A 14 -6.794 -7.640 -8.865 1.00 45.01 N ATOM 175 CA ASP A 14 -6.285 -8.311 -7.681 1.00 11.14 C ATOM 176 C ASP A 14 -5.085 -7.534 -7.136 1.00 23.43 C ATOM 177 O ASP A 14 -4.686 -7.726 -5.988 1.00 12.11 O ATOM 178 CB ASP A 14 -5.820 -9.731 -8.009 1.00 11.10 C ATOM 179 CG ASP A 14 -5.522 -10.611 -6.793 1.00 72.14 C ATOM 180 OD1 ASP A 14 -4.463 -10.489 -6.161 1.00 24.30 O ATOM 181 OD2 ASP A 14 -6.445 -11.463 -6.498 1.00 1.11 O ATOM 0 H ASP A 14 -6.523 -8.071 -9.749 1.00 45.01 H new ATOM 0 HA ASP A 14 -7.090 -8.356 -6.947 1.00 11.14 H new ATOM 0 HB2 ASP A 14 -6.586 -10.218 -8.612 1.00 11.10 H new ATOM 0 HB3 ASP A 14 -4.922 -9.670 -8.624 1.00 11.10 H new ATOM 187 N GLU A 15 -4.542 -6.674 -7.985 1.00 20.31 N ATOM 188 CA GLU A 15 -3.395 -5.868 -7.603 1.00 31.02 C ATOM 189 C GLU A 15 -3.784 -4.880 -6.502 1.00 12.43 C ATOM 190 O GLU A 15 -2.921 -4.233 -5.910 1.00 53.21 O ATOM 191 CB GLU A 15 -2.810 -5.138 -8.814 1.00 15.25 C ATOM 192 CG GLU A 15 -2.512 -6.116 -9.952 1.00 4.52 C ATOM 193 CD GLU A 15 -2.373 -5.378 -11.285 1.00 62.44 C ATOM 194 OE1 GLU A 15 -2.282 -4.133 -11.238 1.00 50.44 O ATOM 195 OE2 GLU A 15 -2.360 -6.077 -12.322 1.00 35.54 O ATOM 0 H GLU A 15 -4.875 -6.518 -8.936 1.00 20.31 H new ATOM 0 HA GLU A 15 -2.623 -6.531 -7.213 1.00 31.02 H new ATOM 0 HB2 GLU A 15 -3.511 -4.377 -9.158 1.00 15.25 H new ATOM 0 HB3 GLU A 15 -1.895 -4.621 -8.525 1.00 15.25 H new ATOM 0 HG2 GLU A 15 -1.593 -6.662 -9.737 1.00 4.52 H new ATOM 0 HG3 GLU A 15 -3.312 -6.853 -10.022 1.00 4.52 H new ATOM 202 N LEU A 16 -5.084 -4.794 -6.260 1.00 50.20 N ATOM 203 CA LEU A 16 -5.598 -3.895 -5.240 1.00 61.14 C ATOM 204 C LEU A 16 -6.047 -4.711 -4.027 1.00 32.32 C ATOM 205 O LEU A 16 -6.983 -4.327 -3.328 1.00 12.34 O ATOM 206 CB LEU A 16 -6.695 -2.999 -5.819 1.00 61.33 C ATOM 207 CG LEU A 16 -6.265 -2.053 -6.942 1.00 1.42 C ATOM 208 CD1 LEU A 16 -7.448 -1.700 -7.845 1.00 73.11 C ATOM 209 CD2 LEU A 16 -5.584 -0.805 -6.376 1.00 51.20 C ATOM 0 H LEU A 16 -5.797 -5.332 -6.753 1.00 50.20 H new ATOM 0 HA LEU A 16 -4.814 -3.219 -4.898 1.00 61.14 H new ATOM 0 HB2 LEU A 16 -7.496 -3.636 -6.194 1.00 61.33 H new ATOM 0 HB3 LEU A 16 -7.115 -2.402 -5.009 1.00 61.33 H new ATOM 0 HG LEU A 16 -5.531 -2.569 -7.561 1.00 1.42 H new ATOM 0 HD11 LEU A 16 -7.115 -1.027 -8.635 1.00 73.11 H new ATOM 0 HD12 LEU A 16 -7.850 -2.610 -8.290 1.00 73.11 H new ATOM 0 HD13 LEU A 16 -8.223 -1.211 -7.255 1.00 73.11 H new ATOM 0 HD21 LEU A 16 -5.288 -0.149 -7.195 1.00 51.20 H new ATOM 0 HD22 LEU A 16 -6.277 -0.278 -5.721 1.00 51.20 H new ATOM 0 HD23 LEU A 16 -4.701 -1.098 -5.809 1.00 51.20 H new ATOM 221 N SER A 17 -5.359 -5.823 -3.814 1.00 23.12 N ATOM 222 CA SER A 17 -5.675 -6.697 -2.697 1.00 11.12 C ATOM 223 C SER A 17 -4.889 -6.266 -1.457 1.00 30.53 C ATOM 224 O SER A 17 -5.279 -6.576 -0.332 1.00 23.11 O ATOM 225 CB SER A 17 -5.372 -8.157 -3.037 1.00 21.41 C ATOM 226 OG SER A 17 -5.878 -9.052 -2.050 1.00 14.32 O ATOM 0 H SER A 17 -4.583 -6.139 -4.396 1.00 23.12 H new ATOM 0 HA SER A 17 -6.742 -6.615 -2.490 1.00 11.12 H new ATOM 0 HB2 SER A 17 -5.808 -8.402 -4.006 1.00 21.41 H new ATOM 0 HB3 SER A 17 -4.294 -8.291 -3.130 1.00 21.41 H new ATOM 0 HG SER A 17 -5.665 -9.974 -2.305 1.00 14.32 H new ATOM 232 N GLY A 18 -3.796 -5.559 -1.704 1.00 74.11 N ATOM 233 CA GLY A 18 -2.952 -5.083 -0.622 1.00 11.14 C ATOM 234 C GLY A 18 -1.624 -5.842 -0.588 1.00 1.32 C ATOM 235 O GLY A 18 -1.602 -7.066 -0.700 1.00 65.42 O ATOM 0 H GLY A 18 -3.476 -5.304 -2.638 1.00 74.11 H new ATOM 0 HA2 GLY A 18 -2.762 -4.017 -0.746 1.00 11.14 H new ATOM 0 HA3 GLY A 18 -3.470 -5.206 0.329 1.00 11.14 H new ATOM 239 N THR A 19 -0.549 -5.083 -0.433 1.00 12.34 N ATOM 240 CA THR A 19 0.780 -5.668 -0.383 1.00 32.24 C ATOM 241 C THR A 19 1.531 -5.180 0.857 1.00 5.51 C ATOM 242 O THR A 19 1.051 -4.303 1.573 1.00 11.44 O ATOM 243 CB THR A 19 1.492 -5.337 -1.695 1.00 42.53 C ATOM 244 OG1 THR A 19 0.463 -5.411 -2.678 1.00 14.05 O ATOM 245 CG2 THR A 19 2.485 -6.423 -2.113 1.00 42.13 C ATOM 0 H THR A 19 -0.571 -4.067 -0.340 1.00 12.34 H new ATOM 0 HA THR A 19 0.732 -6.753 -0.288 1.00 32.24 H new ATOM 0 HB THR A 19 2.015 -4.386 -1.593 1.00 42.53 H new ATOM 0 HG1 THR A 19 0.516 -6.272 -3.143 1.00 14.05 H new ATOM 0 HG21 THR A 19 2.963 -6.138 -3.050 1.00 42.13 H new ATOM 0 HG22 THR A 19 3.244 -6.539 -1.340 1.00 42.13 H new ATOM 0 HG23 THR A 19 1.957 -7.367 -2.247 1.00 42.13 H new ATOM 253 N MET A 20 2.699 -5.768 1.072 1.00 33.34 N ATOM 254 CA MET A 20 3.522 -5.404 2.213 1.00 14.11 C ATOM 255 C MET A 20 4.880 -4.864 1.760 1.00 75.15 C ATOM 256 O MET A 20 5.583 -5.513 0.987 1.00 30.20 O ATOM 257 CB MET A 20 3.731 -6.630 3.104 1.00 2.00 C ATOM 258 CG MET A 20 2.400 -7.132 3.667 1.00 22.34 C ATOM 259 SD MET A 20 2.694 -8.396 4.893 1.00 22.20 S ATOM 260 CE MET A 20 3.151 -7.377 6.286 1.00 74.23 C ATOM 0 H MET A 20 3.095 -6.494 0.475 1.00 33.34 H new ATOM 0 HA MET A 20 3.009 -4.621 2.772 1.00 14.11 H new ATOM 0 HB2 MET A 20 4.210 -7.424 2.530 1.00 2.00 H new ATOM 0 HB3 MET A 20 4.405 -6.378 3.923 1.00 2.00 H new ATOM 0 HG2 MET A 20 1.848 -6.304 4.112 1.00 22.34 H new ATOM 0 HG3 MET A 20 1.782 -7.531 2.862 1.00 22.34 H new ATOM 0 HE1 MET A 20 4.185 -7.583 6.564 1.00 74.23 H new ATOM 0 HE2 MET A 20 3.050 -6.326 6.016 1.00 74.23 H new ATOM 0 HE3 MET A 20 2.497 -7.600 7.130 1.00 74.23 H new ATOM 270 N GLU A 21 5.207 -3.682 2.259 1.00 2.51 N ATOM 271 CA GLU A 21 6.468 -3.047 1.915 1.00 63.12 C ATOM 272 C GLU A 21 7.489 -3.251 3.036 1.00 32.43 C ATOM 273 O GLU A 21 7.227 -2.908 4.188 1.00 25.53 O ATOM 274 CB GLU A 21 6.270 -1.559 1.618 1.00 25.30 C ATOM 275 CG GLU A 21 7.593 -0.798 1.725 1.00 24.14 C ATOM 276 CD GLU A 21 7.400 0.685 1.402 1.00 64.11 C ATOM 277 OE1 GLU A 21 6.939 1.025 0.302 1.00 35.54 O ATOM 278 OE2 GLU A 21 7.748 1.498 2.341 1.00 24.44 O ATOM 0 H GLU A 21 4.621 -3.147 2.899 1.00 2.51 H new ATOM 0 HA GLU A 21 6.853 -3.516 1.010 1.00 63.12 H new ATOM 0 HB2 GLU A 21 5.856 -1.436 0.617 1.00 25.30 H new ATOM 0 HB3 GLU A 21 5.547 -1.138 2.316 1.00 25.30 H new ATOM 0 HG2 GLU A 21 7.998 -0.905 2.731 1.00 24.14 H new ATOM 0 HG3 GLU A 21 8.322 -1.231 1.040 1.00 24.14 H new ATOM 286 N TYR A 22 8.630 -3.809 2.660 1.00 61.30 N ATOM 287 CA TYR A 22 9.691 -4.063 3.620 1.00 61.43 C ATOM 288 C TYR A 22 10.949 -3.266 3.270 1.00 2.22 C ATOM 289 O TYR A 22 11.214 -2.999 2.099 1.00 21.20 O ATOM 290 CB TYR A 22 10.004 -5.557 3.517 1.00 71.53 C ATOM 291 CG TYR A 22 8.766 -6.456 3.550 1.00 61.13 C ATOM 292 CD1 TYR A 22 8.070 -6.714 2.386 1.00 34.55 C ATOM 293 CD2 TYR A 22 8.346 -7.008 4.743 1.00 71.34 C ATOM 294 CE1 TYR A 22 6.905 -7.560 2.418 1.00 74.25 C ATOM 295 CE2 TYR A 22 7.181 -7.854 4.774 1.00 71.13 C ATOM 296 CZ TYR A 22 6.518 -8.088 3.610 1.00 72.34 C ATOM 297 OH TYR A 22 5.417 -8.887 3.639 1.00 65.10 O ATOM 0 H TYR A 22 8.843 -4.092 1.704 1.00 61.30 H new ATOM 0 HA TYR A 22 9.380 -3.769 4.622 1.00 61.43 H new ATOM 0 HB2 TYR A 22 10.549 -5.741 2.591 1.00 71.53 H new ATOM 0 HB3 TYR A 22 10.665 -5.837 4.337 1.00 71.53 H new ATOM 0 HD1 TYR A 22 8.399 -6.282 1.452 1.00 34.55 H new ATOM 0 HD2 TYR A 22 8.891 -6.806 5.653 1.00 71.34 H new ATOM 0 HE1 TYR A 22 6.351 -7.770 1.515 1.00 74.25 H new ATOM 0 HE2 TYR A 22 6.842 -8.293 5.701 1.00 71.13 H new ATOM 0 HH TYR A 22 4.811 -8.583 4.346 1.00 65.10 H new ATOM 307 N LYS A 23 11.691 -2.907 4.308 1.00 61.32 N ATOM 308 CA LYS A 23 12.915 -2.146 4.125 1.00 11.41 C ATOM 309 C LYS A 23 14.118 -3.081 4.260 1.00 71.41 C ATOM 310 O LYS A 23 14.361 -3.636 5.331 1.00 54.13 O ATOM 311 CB LYS A 23 12.952 -0.954 5.084 1.00 44.11 C ATOM 312 CG LYS A 23 13.750 0.206 4.485 1.00 3.45 C ATOM 313 CD LYS A 23 14.428 1.029 5.583 1.00 44.11 C ATOM 314 CE LYS A 23 13.508 2.146 6.079 1.00 73.20 C ATOM 315 NZ LYS A 23 13.193 3.085 4.979 1.00 1.13 N ATOM 0 H LYS A 23 11.468 -3.129 5.278 1.00 61.32 H new ATOM 0 HA LYS A 23 12.953 -1.721 3.122 1.00 11.41 H new ATOM 0 HB2 LYS A 23 11.936 -0.627 5.302 1.00 44.11 H new ATOM 0 HB3 LYS A 23 13.399 -1.258 6.030 1.00 44.11 H new ATOM 0 HG2 LYS A 23 14.503 -0.182 3.799 1.00 3.45 H new ATOM 0 HG3 LYS A 23 13.087 0.846 3.903 1.00 3.45 H new ATOM 0 HD2 LYS A 23 14.698 0.379 6.415 1.00 44.11 H new ATOM 0 HD3 LYS A 23 15.354 1.459 5.201 1.00 44.11 H new ATOM 0 HE2 LYS A 23 12.587 1.718 6.474 1.00 73.20 H new ATOM 0 HE3 LYS A 23 13.987 2.683 6.898 1.00 73.20 H new ATOM 0 HZ1 LYS A 23 13.067 4.042 5.365 1.00 1.13 H new ATOM 0 HZ2 LYS A 23 13.974 3.089 4.292 1.00 1.13 H new ATOM 0 HZ3 LYS A 23 12.317 2.784 4.506 1.00 1.13 H new ATOM 328 N LEU A 24 14.839 -3.228 3.158 1.00 22.24 N ATOM 329 CA LEU A 24 16.011 -4.087 3.140 1.00 30.31 C ATOM 330 C LEU A 24 17.268 -3.231 3.302 1.00 45.10 C ATOM 331 O LEU A 24 17.594 -2.429 2.428 1.00 25.11 O ATOM 332 CB LEU A 24 16.018 -4.958 1.882 1.00 55.22 C ATOM 333 CG LEU A 24 17.303 -5.744 1.617 1.00 43.44 C ATOM 334 CD1 LEU A 24 18.220 -4.986 0.655 1.00 43.34 C ATOM 335 CD2 LEU A 24 18.011 -6.095 2.927 1.00 44.24 C ATOM 0 H LEU A 24 14.634 -2.767 2.272 1.00 22.24 H new ATOM 0 HA LEU A 24 15.987 -4.781 3.980 1.00 30.31 H new ATOM 0 HB2 LEU A 24 15.191 -5.665 1.949 1.00 55.22 H new ATOM 0 HB3 LEU A 24 15.822 -4.319 1.021 1.00 55.22 H new ATOM 0 HG LEU A 24 17.036 -6.684 1.134 1.00 43.44 H new ATOM 0 HD11 LEU A 24 19.127 -5.566 0.483 1.00 43.34 H new ATOM 0 HD12 LEU A 24 17.704 -4.830 -0.292 1.00 43.34 H new ATOM 0 HD13 LEU A 24 18.484 -4.021 1.088 1.00 43.34 H new ATOM 0 HD21 LEU A 24 18.922 -6.654 2.710 1.00 44.24 H new ATOM 0 HD22 LEU A 24 18.266 -5.179 3.460 1.00 44.24 H new ATOM 0 HD23 LEU A 24 17.351 -6.703 3.546 1.00 44.24 H new ATOM 347 N ILE A 25 17.941 -3.430 4.426 1.00 34.12 N ATOM 348 CA ILE A 25 19.155 -2.686 4.714 1.00 62.12 C ATOM 349 C ILE A 25 20.348 -3.644 4.708 1.00 43.13 C ATOM 350 O ILE A 25 20.371 -4.618 5.458 1.00 33.22 O ATOM 351 CB ILE A 25 19.005 -1.899 6.017 1.00 2.12 C ATOM 352 CG1 ILE A 25 17.877 -0.871 5.910 1.00 32.11 C ATOM 353 CG2 ILE A 25 20.332 -1.254 6.424 1.00 54.44 C ATOM 354 CD1 ILE A 25 17.198 -0.659 7.265 1.00 44.40 C ATOM 0 H ILE A 25 17.668 -4.096 5.148 1.00 34.12 H new ATOM 0 HA ILE A 25 19.339 -1.942 3.939 1.00 62.12 H new ATOM 0 HB ILE A 25 18.730 -2.597 6.808 1.00 2.12 H new ATOM 0 HG12 ILE A 25 18.276 0.076 5.547 1.00 32.11 H new ATOM 0 HG13 ILE A 25 17.142 -1.208 5.179 1.00 32.11 H new ATOM 0 HG21 ILE A 25 20.198 -0.701 7.353 1.00 54.44 H new ATOM 0 HG22 ILE A 25 21.084 -2.029 6.569 1.00 54.44 H new ATOM 0 HG23 ILE A 25 20.661 -0.572 5.640 1.00 54.44 H new ATOM 0 HD11 ILE A 25 16.400 0.076 7.161 1.00 44.40 H new ATOM 0 HD12 ILE A 25 16.779 -1.603 7.613 1.00 44.40 H new ATOM 0 HD13 ILE A 25 17.931 -0.299 7.987 1.00 44.40 H new ATOM 366 N LEU A 26 21.311 -3.333 3.852 1.00 22.33 N ATOM 367 CA LEU A 26 22.505 -4.154 3.739 1.00 73.25 C ATOM 368 C LEU A 26 23.704 -3.382 4.290 1.00 4.53 C ATOM 369 O LEU A 26 24.146 -2.402 3.691 1.00 73.33 O ATOM 370 CB LEU A 26 22.691 -4.632 2.297 1.00 40.10 C ATOM 371 CG LEU A 26 21.413 -5.003 1.543 1.00 55.22 C ATOM 372 CD1 LEU A 26 20.963 -3.860 0.630 1.00 65.21 C ATOM 373 CD2 LEU A 26 21.590 -6.314 0.775 1.00 71.23 C ATOM 0 H LEU A 26 21.289 -2.524 3.231 1.00 22.33 H new ATOM 0 HA LEU A 26 22.404 -5.058 4.340 1.00 73.25 H new ATOM 0 HB2 LEU A 26 23.204 -3.849 1.739 1.00 40.10 H new ATOM 0 HB3 LEU A 26 23.349 -5.501 2.305 1.00 40.10 H new ATOM 0 HG LEU A 26 20.620 -5.163 2.274 1.00 55.22 H new ATOM 0 HD11 LEU A 26 20.052 -4.150 0.106 1.00 65.21 H new ATOM 0 HD12 LEU A 26 20.769 -2.970 1.229 1.00 65.21 H new ATOM 0 HD13 LEU A 26 21.747 -3.644 -0.096 1.00 65.21 H new ATOM 0 HD21 LEU A 26 20.667 -6.554 0.248 1.00 71.23 H new ATOM 0 HD22 LEU A 26 22.401 -6.207 0.055 1.00 71.23 H new ATOM 0 HD23 LEU A 26 21.828 -7.116 1.474 1.00 71.23 H new ATOM 385 N ASN A 27 24.198 -3.851 5.427 1.00 42.14 N ATOM 386 CA ASN A 27 25.338 -3.216 6.066 1.00 63.20 C ATOM 387 C ASN A 27 26.587 -4.069 5.835 1.00 22.41 C ATOM 388 O ASN A 27 26.792 -5.073 6.516 1.00 61.22 O ATOM 389 CB ASN A 27 25.124 -3.091 7.576 1.00 52.14 C ATOM 390 CG ASN A 27 24.582 -1.707 7.939 1.00 33.24 C ATOM 391 OD1 ASN A 27 25.120 -0.681 7.558 1.00 50.04 O ATOM 392 ND2 ASN A 27 23.489 -1.736 8.697 1.00 71.32 N ATOM 0 H ASN A 27 23.829 -4.663 5.922 1.00 42.14 H new ATOM 0 HA ASN A 27 25.456 -2.222 5.635 1.00 63.20 H new ATOM 0 HB2 ASN A 27 24.427 -3.858 7.913 1.00 52.14 H new ATOM 0 HB3 ASN A 27 26.066 -3.265 8.096 1.00 52.14 H new ATOM 0 HD21 ASN A 27 23.051 -0.864 8.994 1.00 71.32 H new ATOM 0 HD22 ASN A 27 23.089 -2.630 8.981 1.00 71.32 H new ATOM 399 N GLY A 28 27.389 -3.639 4.873 1.00 44.34 N ATOM 400 CA GLY A 28 28.613 -4.350 4.543 1.00 33.55 C ATOM 401 C GLY A 28 29.787 -3.382 4.393 1.00 3.40 C ATOM 402 O GLY A 28 29.591 -2.202 4.104 1.00 73.31 O ATOM 0 H GLY A 28 27.215 -2.806 4.310 1.00 44.34 H new ATOM 0 HA2 GLY A 28 28.836 -5.079 5.322 1.00 33.55 H new ATOM 0 HA3 GLY A 28 28.476 -4.907 3.616 1.00 33.55 H new ATOM 406 N LYS A 29 30.983 -3.915 4.596 1.00 32.31 N ATOM 407 CA LYS A 29 32.189 -3.113 4.487 1.00 41.43 C ATOM 408 C LYS A 29 32.409 -2.727 3.022 1.00 14.35 C ATOM 409 O LYS A 29 32.862 -1.621 2.729 1.00 35.34 O ATOM 410 CB LYS A 29 33.378 -3.843 5.115 1.00 74.21 C ATOM 411 CG LYS A 29 33.007 -4.417 6.484 1.00 2.52 C ATOM 412 CD LYS A 29 32.418 -3.334 7.391 1.00 42.12 C ATOM 413 CE LYS A 29 30.889 -3.353 7.346 1.00 70.24 C ATOM 414 NZ LYS A 29 30.327 -3.040 8.679 1.00 61.25 N ATOM 0 H LYS A 29 31.142 -4.894 4.836 1.00 32.31 H new ATOM 0 HA LYS A 29 32.081 -2.186 5.050 1.00 41.43 H new ATOM 0 HB2 LYS A 29 33.705 -4.647 4.456 1.00 74.21 H new ATOM 0 HB3 LYS A 29 34.217 -3.156 5.220 1.00 74.21 H new ATOM 0 HG2 LYS A 29 32.286 -5.225 6.360 1.00 2.52 H new ATOM 0 HG3 LYS A 29 33.891 -4.848 6.953 1.00 2.52 H new ATOM 0 HD2 LYS A 29 32.757 -3.488 8.415 1.00 42.12 H new ATOM 0 HD3 LYS A 29 32.782 -2.355 7.079 1.00 42.12 H new ATOM 0 HE2 LYS A 29 30.532 -2.628 6.615 1.00 70.24 H new ATOM 0 HE3 LYS A 29 30.541 -4.333 7.019 1.00 70.24 H new ATOM 0 HZ1 LYS A 29 29.288 -3.057 8.631 1.00 61.25 H new ATOM 0 HZ2 LYS A 29 30.653 -3.747 9.368 1.00 61.25 H new ATOM 0 HZ3 LYS A 29 30.644 -2.095 8.976 1.00 61.25 H new ATOM 427 N THR A 30 32.077 -3.659 2.142 1.00 62.41 N ATOM 428 CA THR A 30 32.232 -3.431 0.715 1.00 4.23 C ATOM 429 C THR A 30 30.881 -3.102 0.078 1.00 60.42 C ATOM 430 O THR A 30 30.825 -2.468 -0.974 1.00 52.53 O ATOM 431 CB THR A 30 32.907 -4.663 0.110 1.00 74.44 C ATOM 432 OG1 THR A 30 31.907 -5.676 0.181 1.00 30.34 O ATOM 433 CG2 THR A 30 34.043 -5.198 0.984 1.00 73.44 C ATOM 0 H THR A 30 31.701 -4.574 2.389 1.00 62.41 H new ATOM 0 HA THR A 30 32.867 -2.567 0.519 1.00 4.23 H new ATOM 0 HB THR A 30 33.296 -4.415 -0.878 1.00 74.44 H new ATOM 0 HG1 THR A 30 32.260 -6.511 -0.193 1.00 30.34 H new ATOM 0 HG21 THR A 30 34.487 -6.072 0.508 1.00 73.44 H new ATOM 0 HG22 THR A 30 34.803 -4.426 1.106 1.00 73.44 H new ATOM 0 HG23 THR A 30 33.649 -5.478 1.961 1.00 73.44 H new ATOM 441 N LEU A 31 29.825 -3.550 0.742 1.00 43.43 N ATOM 442 CA LEU A 31 28.478 -3.311 0.253 1.00 32.21 C ATOM 443 C LEU A 31 27.617 -2.761 1.392 1.00 40.42 C ATOM 444 O LEU A 31 27.220 -3.502 2.289 1.00 32.31 O ATOM 445 CB LEU A 31 27.909 -4.578 -0.390 1.00 44.45 C ATOM 446 CG LEU A 31 27.125 -4.376 -1.689 1.00 22.22 C ATOM 447 CD1 LEU A 31 25.907 -3.480 -1.460 1.00 35.13 C ATOM 448 CD2 LEU A 31 28.031 -3.839 -2.799 1.00 30.22 C ATOM 0 H LEU A 31 29.875 -4.077 1.614 1.00 43.43 H new ATOM 0 HA LEU A 31 28.487 -2.557 -0.534 1.00 32.21 H new ATOM 0 HB2 LEU A 31 28.734 -5.263 -0.589 1.00 44.45 H new ATOM 0 HB3 LEU A 31 27.256 -5.067 0.333 1.00 44.45 H new ATOM 0 HG LEU A 31 26.754 -5.347 -2.018 1.00 22.22 H new ATOM 0 HD11 LEU A 31 25.367 -3.353 -2.398 1.00 35.13 H new ATOM 0 HD12 LEU A 31 25.249 -3.941 -0.723 1.00 35.13 H new ATOM 0 HD13 LEU A 31 26.235 -2.507 -1.095 1.00 35.13 H new ATOM 0 HD21 LEU A 31 27.449 -3.705 -3.711 1.00 30.22 H new ATOM 0 HD22 LEU A 31 28.453 -2.881 -2.493 1.00 30.22 H new ATOM 0 HD23 LEU A 31 28.838 -4.548 -2.985 1.00 30.22 H new ATOM 460 N LYS A 32 27.354 -1.464 1.318 1.00 21.14 N ATOM 461 CA LYS A 32 26.548 -0.805 2.332 1.00 74.41 C ATOM 462 C LYS A 32 25.509 0.087 1.650 1.00 35.02 C ATOM 463 O LYS A 32 25.859 0.962 0.860 1.00 2.12 O ATOM 464 CB LYS A 32 27.440 -0.061 3.326 1.00 4.54 C ATOM 465 CG LYS A 32 28.717 0.442 2.648 1.00 74.30 C ATOM 466 CD LYS A 32 29.678 1.051 3.671 1.00 70.33 C ATOM 467 CE LYS A 32 30.404 2.264 3.086 1.00 62.31 C ATOM 468 NZ LYS A 32 31.320 2.853 4.089 1.00 75.23 N ATOM 0 H LYS A 32 27.685 -0.852 0.572 1.00 21.14 H new ATOM 0 HA LYS A 32 26.000 -1.541 2.921 1.00 74.41 H new ATOM 0 HB2 LYS A 32 26.894 0.781 3.751 1.00 4.54 H new ATOM 0 HB3 LYS A 32 27.699 -0.722 4.153 1.00 4.54 H new ATOM 0 HG2 LYS A 32 29.207 -0.382 2.130 1.00 74.30 H new ATOM 0 HG3 LYS A 32 28.463 1.187 1.894 1.00 74.30 H new ATOM 0 HD2 LYS A 32 29.126 1.348 4.562 1.00 70.33 H new ATOM 0 HD3 LYS A 32 30.406 0.302 3.982 1.00 70.33 H new ATOM 0 HE2 LYS A 32 30.967 1.967 2.201 1.00 62.31 H new ATOM 0 HE3 LYS A 32 29.677 3.011 2.766 1.00 62.31 H new ATOM 0 HZ1 LYS A 32 31.805 3.675 3.676 1.00 75.23 H new ATOM 0 HZ2 LYS A 32 30.775 3.155 4.922 1.00 75.23 H new ATOM 0 HZ3 LYS A 32 32.024 2.143 4.375 1.00 75.23 H new ATOM 481 N GLY A 33 24.251 -0.165 1.981 1.00 74.55 N ATOM 482 CA GLY A 33 23.158 0.604 1.410 1.00 41.10 C ATOM 483 C GLY A 33 21.808 0.119 1.943 1.00 25.11 C ATOM 484 O GLY A 33 21.748 -0.845 2.704 1.00 22.34 O ATOM 0 H GLY A 33 23.964 -0.891 2.638 1.00 74.55 H new ATOM 0 HA2 GLY A 33 23.289 1.660 1.648 1.00 41.10 H new ATOM 0 HA3 GLY A 33 23.176 0.517 0.324 1.00 41.10 H new ATOM 488 N GLU A 34 20.759 0.809 1.522 1.00 1.52 N ATOM 489 CA GLU A 34 19.414 0.461 1.948 1.00 42.03 C ATOM 490 C GLU A 34 18.482 0.369 0.738 1.00 13.32 C ATOM 491 O GLU A 34 18.848 0.773 -0.364 1.00 51.34 O ATOM 492 CB GLU A 34 18.886 1.467 2.973 1.00 74.45 C ATOM 493 CG GLU A 34 18.424 2.755 2.289 1.00 74.13 C ATOM 494 CD GLU A 34 18.541 3.951 3.236 1.00 75.21 C ATOM 495 OE1 GLU A 34 17.986 3.920 4.344 1.00 14.24 O ATOM 496 OE2 GLU A 34 19.239 4.937 2.785 1.00 11.20 O ATOM 0 H GLU A 34 20.813 1.608 0.890 1.00 1.52 H new ATOM 0 HA GLU A 34 19.447 -0.515 2.431 1.00 42.03 H new ATOM 0 HB2 GLU A 34 18.056 1.027 3.526 1.00 74.45 H new ATOM 0 HB3 GLU A 34 19.667 1.696 3.699 1.00 74.45 H new ATOM 0 HG2 GLU A 34 19.025 2.933 1.397 1.00 74.13 H new ATOM 0 HG3 GLU A 34 17.390 2.646 1.961 1.00 74.13 H new ATOM 504 N THR A 35 17.295 -0.164 0.986 1.00 75.44 N ATOM 505 CA THR A 35 16.307 -0.314 -0.070 1.00 32.24 C ATOM 506 C THR A 35 14.991 -0.845 0.503 1.00 21.01 C ATOM 507 O THR A 35 14.893 -1.109 1.700 1.00 13.24 O ATOM 508 CB THR A 35 16.905 -1.214 -1.153 1.00 30.02 C ATOM 509 OG1 THR A 35 15.804 -1.505 -2.009 1.00 60.32 O ATOM 510 CG2 THR A 35 17.327 -2.581 -0.611 1.00 24.20 C ATOM 0 H THR A 35 16.995 -0.497 1.902 1.00 75.44 H new ATOM 0 HA THR A 35 16.064 0.647 -0.524 1.00 32.24 H new ATOM 0 HB THR A 35 17.767 -0.719 -1.601 1.00 30.02 H new ATOM 0 HG1 THR A 35 16.117 -2.020 -2.782 1.00 60.32 H new ATOM 0 HG21 THR A 35 17.745 -3.180 -1.420 1.00 24.20 H new ATOM 0 HG22 THR A 35 18.079 -2.448 0.167 1.00 24.20 H new ATOM 0 HG23 THR A 35 16.459 -3.091 -0.193 1.00 24.20 H new ATOM 518 N THR A 36 14.013 -0.986 -0.379 1.00 51.13 N ATOM 519 CA THR A 36 12.707 -1.480 0.023 1.00 23.54 C ATOM 520 C THR A 36 12.075 -2.297 -1.106 1.00 11.24 C ATOM 521 O THR A 36 12.414 -2.115 -2.274 1.00 5.53 O ATOM 522 CB THR A 36 11.860 -0.282 0.455 1.00 41.23 C ATOM 523 OG1 THR A 36 11.414 0.288 -0.773 1.00 34.41 O ATOM 524 CG2 THR A 36 12.697 0.826 1.097 1.00 43.33 C ATOM 0 H THR A 36 14.099 -0.767 -1.371 1.00 51.13 H new ATOM 0 HA THR A 36 12.786 -2.162 0.870 1.00 23.54 H new ATOM 0 HB THR A 36 11.095 -0.613 1.158 1.00 41.23 H new ATOM 0 HG1 THR A 36 10.855 1.071 -0.586 1.00 34.41 H new ATOM 0 HG21 THR A 36 12.047 1.652 1.385 1.00 43.33 H new ATOM 0 HG22 THR A 36 13.201 0.435 1.981 1.00 43.33 H new ATOM 0 HG23 THR A 36 13.440 1.181 0.383 1.00 43.33 H new ATOM 532 N THR A 37 11.166 -3.179 -0.717 1.00 63.41 N ATOM 533 CA THR A 37 10.483 -4.024 -1.682 1.00 23.30 C ATOM 534 C THR A 37 9.048 -4.299 -1.229 1.00 1.33 C ATOM 535 O THR A 37 8.759 -4.293 -0.033 1.00 50.31 O ATOM 536 CB THR A 37 11.315 -5.295 -1.870 1.00 14.22 C ATOM 537 OG1 THR A 37 10.618 -6.019 -2.880 1.00 63.13 O ATOM 538 CG2 THR A 37 11.262 -6.215 -0.649 1.00 31.14 C ATOM 0 H THR A 37 10.887 -3.327 0.253 1.00 63.41 H new ATOM 0 HA THR A 37 10.396 -3.529 -2.649 1.00 23.30 H new ATOM 0 HB THR A 37 12.351 -5.024 -2.076 1.00 14.22 H new ATOM 0 HG1 THR A 37 10.341 -6.890 -2.526 1.00 63.13 H new ATOM 0 HG21 THR A 37 11.869 -7.101 -0.835 1.00 31.14 H new ATOM 0 HG22 THR A 37 11.649 -5.686 0.222 1.00 31.14 H new ATOM 0 HG23 THR A 37 10.230 -6.514 -0.463 1.00 31.14 H new ATOM 546 N CYS A 38 8.187 -4.533 -2.208 1.00 12.22 N ATOM 547 CA CYS A 38 6.789 -4.809 -1.925 1.00 14.14 C ATOM 548 C CYS A 38 6.507 -6.272 -2.275 1.00 3.54 C ATOM 549 O CYS A 38 6.908 -6.748 -3.336 1.00 14.42 O ATOM 550 CB CYS A 38 5.860 -3.853 -2.676 1.00 72.44 C ATOM 551 SG CYS A 38 5.474 -2.301 -1.788 1.00 44.52 S ATOM 0 H CYS A 38 8.431 -4.537 -3.198 1.00 12.22 H new ATOM 0 HA CYS A 38 6.591 -4.646 -0.866 1.00 14.14 H new ATOM 0 HB2 CYS A 38 6.316 -3.603 -3.634 1.00 72.44 H new ATOM 0 HB3 CYS A 38 4.927 -4.372 -2.894 1.00 72.44 H new ATOM 556 N ALA A 39 5.821 -6.944 -1.362 1.00 51.42 N ATOM 557 CA ALA A 39 5.481 -8.342 -1.561 1.00 64.32 C ATOM 558 C ALA A 39 4.119 -8.627 -0.926 1.00 72.33 C ATOM 559 O ALA A 39 3.797 -8.087 0.131 1.00 43.32 O ATOM 560 CB ALA A 39 6.590 -9.224 -0.983 1.00 31.12 C ATOM 0 H ALA A 39 5.492 -6.546 -0.483 1.00 51.42 H new ATOM 0 HA ALA A 39 5.403 -8.570 -2.624 1.00 64.32 H new ATOM 0 HB1 ALA A 39 6.335 -10.273 -1.132 1.00 31.12 H new ATOM 0 HB2 ALA A 39 7.531 -9.004 -1.488 1.00 31.12 H new ATOM 0 HB3 ALA A 39 6.695 -9.024 0.083 1.00 31.12 H new ATOM 566 N VAL A 40 3.355 -9.476 -1.598 1.00 55.31 N ATOM 567 CA VAL A 40 2.034 -9.839 -1.113 1.00 11.02 C ATOM 568 C VAL A 40 2.175 -10.663 0.168 1.00 21.43 C ATOM 569 O VAL A 40 1.282 -10.660 1.014 1.00 23.04 O ATOM 570 CB VAL A 40 1.255 -10.568 -2.210 1.00 44.20 C ATOM 571 CG1 VAL A 40 0.720 -9.581 -3.250 1.00 34.44 C ATOM 572 CG2 VAL A 40 2.117 -11.646 -2.870 1.00 45.21 C ATOM 0 H VAL A 40 3.625 -9.923 -2.474 1.00 55.31 H new ATOM 0 HA VAL A 40 1.460 -8.946 -0.864 1.00 11.02 H new ATOM 0 HB VAL A 40 0.401 -11.060 -1.744 1.00 44.20 H new ATOM 0 HG11 VAL A 40 0.170 -10.125 -4.018 1.00 34.44 H new ATOM 0 HG12 VAL A 40 0.055 -8.866 -2.765 1.00 34.44 H new ATOM 0 HG13 VAL A 40 1.553 -9.048 -3.708 1.00 34.44 H new ATOM 0 HG21 VAL A 40 1.540 -12.149 -3.646 1.00 45.21 H new ATOM 0 HG22 VAL A 40 2.999 -11.185 -3.315 1.00 45.21 H new ATOM 0 HG23 VAL A 40 2.428 -12.373 -2.120 1.00 45.21 H new ATOM 582 N ASP A 41 3.303 -11.350 0.271 1.00 65.12 N ATOM 583 CA ASP A 41 3.573 -12.177 1.434 1.00 20.45 C ATOM 584 C ASP A 41 5.024 -11.974 1.874 1.00 23.13 C ATOM 585 O ASP A 41 5.912 -11.809 1.039 1.00 3.24 O ATOM 586 CB ASP A 41 3.380 -13.661 1.112 1.00 10.54 C ATOM 587 CG ASP A 41 1.951 -14.061 0.740 1.00 50.31 C ATOM 588 OD1 ASP A 41 1.139 -14.410 1.609 1.00 35.20 O ATOM 589 OD2 ASP A 41 1.679 -14.003 -0.520 1.00 4.42 O ATOM 0 H ASP A 41 4.041 -11.351 -0.433 1.00 65.12 H new ATOM 0 HA ASP A 41 2.879 -11.886 2.223 1.00 20.45 H new ATOM 0 HB2 ASP A 41 4.042 -13.928 0.288 1.00 10.54 H new ATOM 0 HB3 ASP A 41 3.693 -14.248 1.975 1.00 10.54 H new ATOM 595 N ALA A 42 5.220 -11.993 3.184 1.00 22.05 N ATOM 596 CA ALA A 42 6.548 -11.813 3.745 1.00 5.23 C ATOM 597 C ALA A 42 7.481 -12.892 3.193 1.00 64.32 C ATOM 598 O ALA A 42 8.701 -12.737 3.221 1.00 23.51 O ATOM 599 CB ALA A 42 6.466 -11.840 5.273 1.00 52.32 C ATOM 0 H ALA A 42 4.481 -12.130 3.873 1.00 22.05 H new ATOM 0 HA ALA A 42 6.957 -10.844 3.458 1.00 5.23 H new ATOM 0 HB1 ALA A 42 7.463 -11.705 5.693 1.00 52.32 H new ATOM 0 HB2 ALA A 42 5.815 -11.036 5.617 1.00 52.32 H new ATOM 0 HB3 ALA A 42 6.062 -12.798 5.599 1.00 52.32 H new ATOM 605 N ALA A 43 6.872 -13.962 2.703 1.00 51.10 N ATOM 606 CA ALA A 43 7.633 -15.067 2.145 1.00 53.13 C ATOM 607 C ALA A 43 8.322 -14.607 0.859 1.00 64.23 C ATOM 608 O ALA A 43 9.474 -14.959 0.608 1.00 72.54 O ATOM 609 CB ALA A 43 6.704 -16.261 1.914 1.00 44.12 C ATOM 0 H ALA A 43 5.860 -14.087 2.681 1.00 51.10 H new ATOM 0 HA ALA A 43 8.410 -15.388 2.839 1.00 53.13 H new ATOM 0 HB1 ALA A 43 7.274 -17.090 1.495 1.00 44.12 H new ATOM 0 HB2 ALA A 43 6.262 -16.567 2.862 1.00 44.12 H new ATOM 0 HB3 ALA A 43 5.913 -15.978 1.220 1.00 44.12 H new ATOM 615 N THR A 44 7.589 -13.827 0.078 1.00 21.40 N ATOM 616 CA THR A 44 8.116 -13.316 -1.176 1.00 12.21 C ATOM 617 C THR A 44 9.174 -12.243 -0.912 1.00 12.34 C ATOM 618 O THR A 44 10.224 -12.230 -1.552 1.00 30.32 O ATOM 619 CB THR A 44 6.938 -12.815 -2.014 1.00 0.40 C ATOM 620 OG1 THR A 44 6.341 -14.005 -2.521 1.00 63.11 O ATOM 621 CG2 THR A 44 7.389 -12.061 -3.267 1.00 25.22 C ATOM 0 H THR A 44 6.634 -13.536 0.289 1.00 21.40 H new ATOM 0 HA THR A 44 8.625 -14.098 -1.739 1.00 12.21 H new ATOM 0 HB THR A 44 6.311 -12.164 -1.405 1.00 0.40 H new ATOM 0 HG1 THR A 44 5.567 -13.772 -3.075 1.00 63.11 H new ATOM 0 HG21 THR A 44 6.514 -11.727 -3.825 1.00 25.22 H new ATOM 0 HG22 THR A 44 7.986 -11.196 -2.976 1.00 25.22 H new ATOM 0 HG23 THR A 44 7.989 -12.722 -3.893 1.00 25.22 H new ATOM 629 N ALA A 45 8.860 -11.368 0.033 1.00 42.13 N ATOM 630 CA ALA A 45 9.771 -10.293 0.390 1.00 72.34 C ATOM 631 C ALA A 45 11.030 -10.887 1.023 1.00 22.34 C ATOM 632 O ALA A 45 12.134 -10.390 0.804 1.00 73.35 O ATOM 633 CB ALA A 45 9.059 -9.308 1.319 1.00 20.53 C ATOM 0 H ALA A 45 7.988 -11.382 0.562 1.00 42.13 H new ATOM 0 HA ALA A 45 10.079 -9.739 -0.497 1.00 72.34 H new ATOM 0 HB1 ALA A 45 9.742 -8.502 1.587 1.00 20.53 H new ATOM 0 HB2 ALA A 45 8.189 -8.893 0.811 1.00 20.53 H new ATOM 0 HB3 ALA A 45 8.738 -9.827 2.222 1.00 20.53 H new ATOM 639 N GLU A 46 10.823 -11.942 1.798 1.00 62.34 N ATOM 640 CA GLU A 46 11.928 -12.609 2.465 1.00 63.41 C ATOM 641 C GLU A 46 12.943 -13.113 1.437 1.00 42.04 C ATOM 642 O GLU A 46 14.137 -12.840 1.553 1.00 70.35 O ATOM 643 CB GLU A 46 11.426 -13.755 3.346 1.00 52.12 C ATOM 644 CG GLU A 46 12.584 -14.425 4.087 1.00 23.31 C ATOM 645 CD GLU A 46 12.114 -15.690 4.810 1.00 45.45 C ATOM 646 OE1 GLU A 46 12.109 -15.730 6.049 1.00 52.41 O ATOM 647 OE2 GLU A 46 11.745 -16.654 4.036 1.00 11.24 O ATOM 0 H GLU A 46 9.906 -12.351 1.979 1.00 62.34 H new ATOM 0 HA GLU A 46 12.424 -11.886 3.113 1.00 63.41 H new ATOM 0 HB2 GLU A 46 10.701 -13.375 4.065 1.00 52.12 H new ATOM 0 HB3 GLU A 46 10.909 -14.491 2.731 1.00 52.12 H new ATOM 0 HG2 GLU A 46 13.375 -14.678 3.381 1.00 23.31 H new ATOM 0 HG3 GLU A 46 13.011 -13.728 4.807 1.00 23.31 H new ATOM 655 N LYS A 47 12.431 -13.839 0.454 1.00 62.03 N ATOM 656 CA LYS A 47 13.278 -14.383 -0.594 1.00 61.22 C ATOM 657 C LYS A 47 13.950 -13.234 -1.349 1.00 21.41 C ATOM 658 O LYS A 47 15.090 -13.362 -1.794 1.00 54.01 O ATOM 659 CB LYS A 47 12.477 -15.326 -1.495 1.00 42.50 C ATOM 660 CG LYS A 47 11.267 -14.610 -2.099 1.00 31.03 C ATOM 661 CD LYS A 47 10.605 -15.468 -3.179 1.00 31.35 C ATOM 662 CE LYS A 47 11.354 -15.351 -4.507 1.00 60.34 C ATOM 663 NZ LYS A 47 12.434 -16.361 -4.584 1.00 52.44 N ATOM 0 H LYS A 47 11.440 -14.063 0.361 1.00 62.03 H new ATOM 0 HA LYS A 47 14.074 -14.990 -0.163 1.00 61.22 H new ATOM 0 HB2 LYS A 47 13.117 -15.703 -2.293 1.00 42.50 H new ATOM 0 HB3 LYS A 47 12.143 -16.189 -0.919 1.00 42.50 H new ATOM 0 HG2 LYS A 47 10.544 -14.385 -1.315 1.00 31.03 H new ATOM 0 HG3 LYS A 47 11.580 -13.658 -2.527 1.00 31.03 H new ATOM 0 HD2 LYS A 47 10.585 -16.510 -2.859 1.00 31.35 H new ATOM 0 HD3 LYS A 47 9.569 -15.156 -3.313 1.00 31.35 H new ATOM 0 HE2 LYS A 47 10.660 -15.488 -5.336 1.00 60.34 H new ATOM 0 HE3 LYS A 47 11.776 -14.351 -4.607 1.00 60.34 H new ATOM 0 HZ1 LYS A 47 13.358 -15.883 -4.574 1.00 52.44 H new ATOM 0 HZ2 LYS A 47 12.368 -17.003 -3.769 1.00 52.44 H new ATOM 0 HZ3 LYS A 47 12.336 -16.907 -5.464 1.00 52.44 H new ATOM 676 N VAL A 48 13.216 -12.138 -1.469 1.00 74.35 N ATOM 677 CA VAL A 48 13.726 -10.968 -2.163 1.00 3.24 C ATOM 678 C VAL A 48 14.880 -10.367 -1.358 1.00 2.25 C ATOM 679 O VAL A 48 15.894 -9.963 -1.925 1.00 70.24 O ATOM 680 CB VAL A 48 12.592 -9.973 -2.415 1.00 53.23 C ATOM 681 CG1 VAL A 48 13.133 -8.653 -2.968 1.00 70.05 C ATOM 682 CG2 VAL A 48 11.538 -10.569 -3.351 1.00 42.21 C ATOM 0 H VAL A 48 12.272 -12.035 -1.097 1.00 74.35 H new ATOM 0 HA VAL A 48 14.120 -11.245 -3.141 1.00 3.24 H new ATOM 0 HB VAL A 48 12.112 -9.763 -1.459 1.00 53.23 H new ATOM 0 HG11 VAL A 48 12.306 -7.964 -3.138 1.00 70.05 H new ATOM 0 HG12 VAL A 48 13.828 -8.216 -2.251 1.00 70.05 H new ATOM 0 HG13 VAL A 48 13.651 -8.838 -3.909 1.00 70.05 H new ATOM 0 HG21 VAL A 48 10.743 -9.841 -3.514 1.00 42.21 H new ATOM 0 HG22 VAL A 48 12.000 -10.821 -4.305 1.00 42.21 H new ATOM 0 HG23 VAL A 48 11.119 -11.469 -2.901 1.00 42.21 H new ATOM 692 N PHE A 49 14.687 -10.326 -0.047 1.00 64.24 N ATOM 693 CA PHE A 49 15.699 -9.781 0.842 1.00 64.25 C ATOM 694 C PHE A 49 16.934 -10.684 0.886 1.00 40.13 C ATOM 695 O PHE A 49 18.064 -10.197 0.885 1.00 34.24 O ATOM 696 CB PHE A 49 15.079 -9.716 2.239 1.00 65.43 C ATOM 697 CG PHE A 49 16.105 -9.636 3.371 1.00 10.44 C ATOM 698 CD1 PHE A 49 17.288 -8.994 3.173 1.00 14.34 C ATOM 699 CD2 PHE A 49 15.834 -10.206 4.576 1.00 40.30 C ATOM 700 CE1 PHE A 49 18.239 -8.919 4.225 1.00 43.34 C ATOM 701 CE2 PHE A 49 16.786 -10.131 5.627 1.00 12.21 C ATOM 702 CZ PHE A 49 17.968 -9.489 5.429 1.00 4.12 C ATOM 0 H PHE A 49 13.845 -10.661 0.420 1.00 64.24 H new ATOM 0 HA PHE A 49 16.013 -8.798 0.490 1.00 64.25 H new ATOM 0 HB2 PHE A 49 14.423 -8.847 2.294 1.00 65.43 H new ATOM 0 HB3 PHE A 49 14.455 -10.597 2.390 1.00 65.43 H new ATOM 0 HD1 PHE A 49 17.504 -8.542 2.216 1.00 14.34 H new ATOM 0 HD2 PHE A 49 14.895 -10.716 4.733 1.00 40.30 H new ATOM 0 HE1 PHE A 49 19.178 -8.409 4.068 1.00 43.34 H new ATOM 0 HE2 PHE A 49 16.571 -10.584 6.584 1.00 12.21 H new ATOM 0 HZ PHE A 49 18.692 -9.432 6.228 1.00 4.12 H new ATOM 712 N LYS A 50 16.677 -11.983 0.923 1.00 74.14 N ATOM 713 CA LYS A 50 17.753 -12.958 0.967 1.00 71.31 C ATOM 714 C LYS A 50 18.508 -12.939 -0.364 1.00 33.22 C ATOM 715 O LYS A 50 19.723 -13.128 -0.395 1.00 73.41 O ATOM 716 CB LYS A 50 17.211 -14.338 1.347 1.00 52.32 C ATOM 717 CG LYS A 50 16.321 -14.254 2.589 1.00 61.23 C ATOM 718 CD LYS A 50 17.062 -14.758 3.829 1.00 61.01 C ATOM 719 CE LYS A 50 16.302 -14.396 5.106 1.00 2.35 C ATOM 720 NZ LYS A 50 16.744 -13.079 5.617 1.00 43.45 N ATOM 0 H LYS A 50 15.739 -12.383 0.923 1.00 74.14 H new ATOM 0 HA LYS A 50 18.471 -12.698 1.745 1.00 71.31 H new ATOM 0 HB2 LYS A 50 16.642 -14.751 0.514 1.00 52.32 H new ATOM 0 HB3 LYS A 50 18.041 -15.019 1.535 1.00 52.32 H new ATOM 0 HG2 LYS A 50 16.004 -13.223 2.744 1.00 61.23 H new ATOM 0 HG3 LYS A 50 15.418 -14.845 2.435 1.00 61.23 H new ATOM 0 HD2 LYS A 50 17.185 -15.839 3.769 1.00 61.01 H new ATOM 0 HD3 LYS A 50 18.062 -14.325 3.861 1.00 61.01 H new ATOM 0 HE2 LYS A 50 15.231 -14.374 4.905 1.00 2.35 H new ATOM 0 HE3 LYS A 50 16.468 -15.161 5.864 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 16.617 -13.046 6.649 1.00 43.45 H new ATOM 0 HZ2 LYS A 50 17.748 -12.937 5.387 1.00 43.45 H new ATOM 0 HZ3 LYS A 50 16.178 -12.327 5.174 1.00 43.45 H new ATOM 733 N GLN A 51 17.756 -12.709 -1.430 1.00 63.14 N ATOM 734 CA GLN A 51 18.339 -12.663 -2.761 1.00 2.13 C ATOM 735 C GLN A 51 19.132 -11.368 -2.948 1.00 55.53 C ATOM 736 O GLN A 51 20.081 -11.324 -3.730 1.00 14.15 O ATOM 737 CB GLN A 51 17.261 -12.807 -3.837 1.00 3.01 C ATOM 738 CG GLN A 51 17.863 -13.306 -5.152 1.00 50.02 C ATOM 739 CD GLN A 51 18.020 -14.828 -5.141 1.00 11.12 C ATOM 740 OE1 GLN A 51 17.105 -15.570 -4.823 1.00 52.23 O ATOM 741 NE2 GLN A 51 19.228 -15.250 -5.504 1.00 33.01 N ATOM 0 H GLN A 51 16.749 -12.552 -1.400 1.00 63.14 H new ATOM 0 HA GLN A 51 19.024 -13.504 -2.866 1.00 2.13 H new ATOM 0 HB2 GLN A 51 16.493 -13.502 -3.497 1.00 3.01 H new ATOM 0 HB3 GLN A 51 16.772 -11.846 -3.998 1.00 3.01 H new ATOM 0 HG2 GLN A 51 17.225 -13.009 -5.984 1.00 50.02 H new ATOM 0 HG3 GLN A 51 18.834 -12.838 -5.312 1.00 50.02 H new ATOM 0 HE21 GLN A 51 19.949 -14.575 -5.758 1.00 33.01 H new ATOM 0 HE22 GLN A 51 19.433 -16.249 -5.528 1.00 33.01 H new ATOM 750 N TYR A 52 18.713 -10.344 -2.219 1.00 34.15 N ATOM 751 CA TYR A 52 19.371 -9.051 -2.295 1.00 23.22 C ATOM 752 C TYR A 52 20.763 -9.107 -1.662 1.00 65.05 C ATOM 753 O TYR A 52 21.749 -8.717 -2.287 1.00 12.22 O ATOM 754 CB TYR A 52 18.498 -8.085 -1.492 1.00 30.11 C ATOM 755 CG TYR A 52 18.366 -6.697 -2.121 1.00 1.54 C ATOM 756 CD1 TYR A 52 19.336 -5.741 -1.893 1.00 60.15 C ATOM 757 CD2 TYR A 52 17.277 -6.399 -2.915 1.00 24.21 C ATOM 758 CE1 TYR A 52 19.212 -4.434 -2.485 1.00 71.22 C ATOM 759 CE2 TYR A 52 17.153 -5.092 -3.507 1.00 23.33 C ATOM 760 CZ TYR A 52 18.127 -4.174 -3.263 1.00 33.33 C ATOM 761 OH TYR A 52 18.010 -2.940 -3.822 1.00 34.05 O ATOM 0 H TYR A 52 17.925 -10.384 -1.572 1.00 34.15 H new ATOM 0 HA TYR A 52 19.490 -8.742 -3.333 1.00 23.22 H new ATOM 0 HB2 TYR A 52 17.504 -8.518 -1.379 1.00 30.11 H new ATOM 0 HB3 TYR A 52 18.916 -7.981 -0.491 1.00 30.11 H new ATOM 0 HD1 TYR A 52 20.188 -5.973 -1.271 1.00 60.15 H new ATOM 0 HD2 TYR A 52 16.518 -7.146 -3.092 1.00 24.21 H new ATOM 0 HE1 TYR A 52 19.964 -3.677 -2.315 1.00 71.22 H new ATOM 0 HE2 TYR A 52 16.306 -4.846 -4.130 1.00 23.33 H new ATOM 0 HH TYR A 52 17.187 -2.898 -4.352 1.00 34.05 H new ATOM 771 N ALA A 53 20.800 -9.595 -0.431 1.00 62.44 N ATOM 772 CA ALA A 53 22.055 -9.707 0.292 1.00 22.32 C ATOM 773 C ALA A 53 23.009 -10.614 -0.488 1.00 25.15 C ATOM 774 O ALA A 53 24.218 -10.383 -0.503 1.00 35.35 O ATOM 775 CB ALA A 53 21.785 -10.224 1.707 1.00 72.34 C ATOM 0 H ALA A 53 19.981 -9.917 0.084 1.00 62.44 H new ATOM 0 HA ALA A 53 22.532 -8.731 0.387 1.00 22.32 H new ATOM 0 HB1 ALA A 53 22.727 -10.308 2.250 1.00 72.34 H new ATOM 0 HB2 ALA A 53 21.126 -9.530 2.229 1.00 72.34 H new ATOM 0 HB3 ALA A 53 21.309 -11.203 1.652 1.00 72.34 H new ATOM 781 N ASN A 54 22.431 -11.627 -1.116 1.00 40.44 N ATOM 782 CA ASN A 54 23.215 -12.569 -1.896 1.00 71.34 C ATOM 783 C ASN A 54 23.831 -11.845 -3.095 1.00 54.22 C ATOM 784 O ASN A 54 24.999 -12.054 -3.419 1.00 33.24 O ATOM 785 CB ASN A 54 22.340 -13.705 -2.429 1.00 73.41 C ATOM 786 CG ASN A 54 22.850 -15.064 -1.945 1.00 65.14 C ATOM 787 OD1 ASN A 54 24.027 -15.257 -1.686 1.00 33.44 O ATOM 788 ND2 ASN A 54 21.903 -15.992 -1.840 1.00 3.44 N ATOM 0 H ASN A 54 21.429 -11.816 -1.101 1.00 40.44 H new ATOM 0 HA ASN A 54 23.988 -12.982 -1.248 1.00 71.34 H new ATOM 0 HB2 ASN A 54 21.311 -13.561 -2.100 1.00 73.41 H new ATOM 0 HB3 ASN A 54 22.333 -13.682 -3.519 1.00 73.41 H new ATOM 0 HD21 ASN A 54 22.143 -16.932 -1.526 1.00 3.44 H new ATOM 0 HD22 ASN A 54 20.937 -15.763 -2.073 1.00 3.44 H new ATOM 795 N ASP A 55 23.017 -11.008 -3.722 1.00 10.44 N ATOM 796 CA ASP A 55 23.467 -10.251 -4.878 1.00 0.03 C ATOM 797 C ASP A 55 24.616 -9.330 -4.463 1.00 41.20 C ATOM 798 O ASP A 55 25.404 -8.898 -5.303 1.00 2.11 O ATOM 799 CB ASP A 55 22.341 -9.380 -5.438 1.00 2.41 C ATOM 800 CG ASP A 55 22.804 -8.180 -6.268 1.00 34.15 C ATOM 801 OD1 ASP A 55 23.091 -8.306 -7.467 1.00 61.11 O ATOM 802 OD2 ASP A 55 22.864 -7.063 -5.624 1.00 65.55 O ATOM 0 H ASP A 55 22.048 -10.837 -3.451 1.00 10.44 H new ATOM 0 HA ASP A 55 23.788 -10.960 -5.641 1.00 0.03 H new ATOM 0 HB2 ASP A 55 21.694 -10.002 -6.056 1.00 2.41 H new ATOM 0 HB3 ASP A 55 21.736 -9.017 -4.608 1.00 2.41 H new ATOM 808 N ASN A 56 24.675 -9.056 -3.168 1.00 70.10 N ATOM 809 CA ASN A 56 25.715 -8.194 -2.632 1.00 35.12 C ATOM 810 C ASN A 56 26.896 -9.052 -2.173 1.00 51.53 C ATOM 811 O ASN A 56 28.007 -8.549 -2.011 1.00 55.50 O ATOM 812 CB ASN A 56 25.206 -7.405 -1.424 1.00 5.42 C ATOM 813 CG ASN A 56 24.131 -6.399 -1.839 1.00 12.10 C ATOM 814 OD1 ASN A 56 24.045 -5.295 -1.326 1.00 61.22 O ATOM 815 ND2 ASN A 56 23.317 -6.840 -2.794 1.00 23.40 N ATOM 0 H ASN A 56 24.020 -9.416 -2.474 1.00 70.10 H new ATOM 0 HA ASN A 56 26.016 -7.499 -3.416 1.00 35.12 H new ATOM 0 HB2 ASN A 56 24.799 -8.092 -0.682 1.00 5.42 H new ATOM 0 HB3 ASN A 56 26.037 -6.881 -0.951 1.00 5.42 H new ATOM 0 HD21 ASN A 56 22.566 -6.243 -3.140 1.00 23.40 H new ATOM 0 HD22 ASN A 56 23.444 -7.775 -3.181 1.00 23.40 H new ATOM 822 N GLY A 57 26.616 -10.332 -1.978 1.00 11.45 N ATOM 823 CA GLY A 57 27.642 -11.264 -1.541 1.00 54.20 C ATOM 824 C GLY A 57 28.071 -10.972 -0.102 1.00 5.40 C ATOM 825 O GLY A 57 29.216 -11.224 0.271 1.00 1.11 O ATOM 0 H GLY A 57 25.694 -10.746 -2.114 1.00 11.45 H new ATOM 0 HA2 GLY A 57 27.265 -12.284 -1.612 1.00 54.20 H new ATOM 0 HA3 GLY A 57 28.506 -11.196 -2.203 1.00 54.20 H new ATOM 829 N VAL A 58 27.131 -10.444 0.667 1.00 13.42 N ATOM 830 CA VAL A 58 27.398 -10.114 2.057 1.00 32.40 C ATOM 831 C VAL A 58 26.503 -10.966 2.959 1.00 14.15 C ATOM 832 O VAL A 58 25.300 -11.073 2.724 1.00 40.10 O ATOM 833 CB VAL A 58 27.218 -8.612 2.283 1.00 51.22 C ATOM 834 CG1 VAL A 58 27.304 -8.267 3.771 1.00 41.22 C ATOM 835 CG2 VAL A 58 28.239 -7.810 1.474 1.00 43.22 C ATOM 0 H VAL A 58 26.183 -10.236 0.354 1.00 13.42 H new ATOM 0 HA VAL A 58 28.432 -10.345 2.313 1.00 32.40 H new ATOM 0 HB VAL A 58 26.223 -8.337 1.933 1.00 51.22 H new ATOM 0 HG11 VAL A 58 27.173 -7.193 3.904 1.00 41.22 H new ATOM 0 HG12 VAL A 58 26.522 -8.798 4.313 1.00 41.22 H new ATOM 0 HG13 VAL A 58 28.279 -8.564 4.158 1.00 41.22 H new ATOM 0 HG21 VAL A 58 28.089 -6.745 1.653 1.00 43.22 H new ATOM 0 HG22 VAL A 58 29.247 -8.091 1.779 1.00 43.22 H new ATOM 0 HG23 VAL A 58 28.109 -8.022 0.413 1.00 43.22 H new ATOM 845 N ASP A 59 27.124 -11.550 3.974 1.00 55.13 N ATOM 846 CA ASP A 59 26.398 -12.389 4.913 1.00 50.44 C ATOM 847 C ASP A 59 26.991 -12.211 6.312 1.00 53.01 C ATOM 848 O ASP A 59 28.202 -12.058 6.462 1.00 30.31 O ATOM 849 CB ASP A 59 26.514 -13.866 4.534 1.00 33.42 C ATOM 850 CG ASP A 59 27.943 -14.409 4.478 1.00 60.53 C ATOM 851 OD1 ASP A 59 28.513 -14.816 5.501 1.00 34.22 O ATOM 852 OD2 ASP A 59 28.482 -14.405 3.306 1.00 50.23 O ATOM 0 H ASP A 59 28.121 -11.459 4.167 1.00 55.13 H new ATOM 0 HA ASP A 59 25.349 -12.093 4.891 1.00 50.44 H new ATOM 0 HB2 ASP A 59 25.945 -14.456 5.253 1.00 33.42 H new ATOM 0 HB3 ASP A 59 26.047 -14.013 3.560 1.00 33.42 H new ATOM 858 N GLY A 60 26.109 -12.237 7.301 1.00 43.12 N ATOM 859 CA GLY A 60 26.530 -12.081 8.683 1.00 42.43 C ATOM 860 C GLY A 60 25.342 -12.218 9.637 1.00 52.43 C ATOM 861 O GLY A 60 24.717 -13.275 9.707 1.00 14.53 O ATOM 0 H GLY A 60 25.105 -12.364 7.173 1.00 43.12 H new ATOM 0 HA2 GLY A 60 27.283 -12.831 8.924 1.00 42.43 H new ATOM 0 HA3 GLY A 60 26.998 -11.105 8.817 1.00 42.43 H new ATOM 865 N GLU A 61 25.066 -11.134 10.347 1.00 50.43 N ATOM 866 CA GLU A 61 23.964 -11.119 11.293 1.00 33.44 C ATOM 867 C GLU A 61 22.699 -10.574 10.627 1.00 32.51 C ATOM 868 O GLU A 61 22.635 -9.397 10.278 1.00 11.31 O ATOM 869 CB GLU A 61 24.321 -10.306 12.539 1.00 21.20 C ATOM 870 CG GLU A 61 23.378 -10.635 13.698 1.00 72.11 C ATOM 871 CD GLU A 61 23.669 -9.748 14.910 1.00 31.43 C ATOM 872 OE1 GLU A 61 24.477 -10.123 15.773 1.00 63.13 O ATOM 873 OE2 GLU A 61 23.022 -8.633 14.938 1.00 52.32 O ATOM 0 H GLU A 61 25.587 -10.259 10.286 1.00 50.43 H new ATOM 0 HA GLU A 61 23.771 -12.144 11.611 1.00 33.44 H new ATOM 0 HB2 GLU A 61 25.350 -10.516 12.832 1.00 21.20 H new ATOM 0 HB3 GLU A 61 24.265 -9.242 12.311 1.00 21.20 H new ATOM 0 HG2 GLU A 61 22.344 -10.496 13.381 1.00 72.11 H new ATOM 0 HG3 GLU A 61 23.489 -11.683 13.975 1.00 72.11 H new ATOM 881 N TRP A 62 21.723 -11.457 10.471 1.00 64.43 N ATOM 882 CA TRP A 62 20.464 -11.080 9.853 1.00 51.45 C ATOM 883 C TRP A 62 19.461 -10.777 10.968 1.00 24.52 C ATOM 884 O TRP A 62 19.225 -11.614 11.838 1.00 30.04 O ATOM 885 CB TRP A 62 19.978 -12.165 8.890 1.00 21.22 C ATOM 886 CG TRP A 62 20.910 -12.405 7.701 1.00 42.02 C ATOM 887 CD1 TRP A 62 22.195 -12.786 7.723 1.00 74.41 C ATOM 888 CD2 TRP A 62 20.576 -12.263 6.304 1.00 33.10 C ATOM 889 NE1 TRP A 62 22.710 -12.900 6.448 1.00 64.21 N ATOM 890 CE2 TRP A 62 21.695 -12.572 5.558 1.00 75.03 C ATOM 891 CE3 TRP A 62 19.367 -11.886 5.692 1.00 65.55 C ATOM 892 CZ2 TRP A 62 21.717 -12.536 4.158 1.00 13.24 C ATOM 893 CZ3 TRP A 62 19.406 -11.855 4.292 1.00 20.03 C ATOM 894 CH2 TRP A 62 20.524 -12.163 3.526 1.00 3.05 C ATOM 0 H TRP A 62 21.779 -12.433 10.762 1.00 64.43 H new ATOM 0 HA TRP A 62 20.587 -10.185 9.243 1.00 51.45 H new ATOM 0 HB2 TRP A 62 19.860 -13.098 9.440 1.00 21.22 H new ATOM 0 HB3 TRP A 62 18.992 -11.889 8.516 1.00 21.22 H new ATOM 0 HD1 TRP A 62 22.756 -12.979 8.625 1.00 74.41 H new ATOM 0 HE1 TRP A 62 23.661 -13.175 6.204 1.00 64.21 H new ATOM 0 HE3 TRP A 62 18.480 -11.640 6.256 1.00 65.55 H new ATOM 0 HZ2 TRP A 62 22.606 -12.783 3.596 1.00 13.24 H new ATOM 0 HZ3 TRP A 62 18.503 -11.572 3.771 1.00 20.03 H new ATOM 0 HH2 TRP A 62 20.473 -12.115 2.448 1.00 3.05 H new ATOM 905 N THR A 63 18.899 -9.579 10.906 1.00 20.53 N ATOM 906 CA THR A 63 17.927 -9.157 11.901 1.00 45.54 C ATOM 907 C THR A 63 16.743 -8.461 11.227 1.00 42.23 C ATOM 908 O THR A 63 16.931 -7.599 10.369 1.00 33.12 O ATOM 909 CB THR A 63 18.649 -8.275 12.922 1.00 62.02 C ATOM 910 OG1 THR A 63 17.618 -7.860 13.813 1.00 34.30 O ATOM 911 CG2 THR A 63 19.161 -6.969 12.310 1.00 33.14 C ATOM 0 H THR A 63 19.098 -8.887 10.183 1.00 20.53 H new ATOM 0 HA THR A 63 17.504 -10.012 12.429 1.00 45.54 H new ATOM 0 HB THR A 63 19.485 -8.827 13.351 1.00 62.02 H new ATOM 0 HG1 THR A 63 17.999 -7.285 14.509 1.00 34.30 H new ATOM 0 HG21 THR A 63 19.665 -6.381 13.077 1.00 33.14 H new ATOM 0 HG22 THR A 63 19.862 -7.194 11.506 1.00 33.14 H new ATOM 0 HG23 THR A 63 18.321 -6.401 11.910 1.00 33.14 H new ATOM 919 N TYR A 64 15.550 -8.861 11.640 1.00 13.12 N ATOM 920 CA TYR A 64 14.335 -8.287 11.087 1.00 11.42 C ATOM 921 C TYR A 64 13.374 -7.861 12.199 1.00 2.43 C ATOM 922 O TYR A 64 13.193 -8.583 13.178 1.00 11.13 O ATOM 923 CB TYR A 64 13.681 -9.397 10.262 1.00 21.05 C ATOM 924 CG TYR A 64 12.158 -9.288 10.169 1.00 51.24 C ATOM 925 CD1 TYR A 64 11.582 -8.484 9.206 1.00 73.24 C ATOM 926 CD2 TYR A 64 11.360 -9.993 11.047 1.00 41.43 C ATOM 927 CE1 TYR A 64 10.148 -8.381 9.117 1.00 21.42 C ATOM 928 CE2 TYR A 64 9.926 -9.890 10.958 1.00 5.23 C ATOM 929 CZ TYR A 64 9.391 -9.089 9.998 1.00 62.31 C ATOM 930 OH TYR A 64 8.037 -8.992 9.914 1.00 23.14 O ATOM 0 H TYR A 64 15.398 -9.576 12.351 1.00 13.12 H new ATOM 0 HA TYR A 64 14.565 -7.404 10.491 1.00 11.42 H new ATOM 0 HB2 TYR A 64 14.098 -9.381 9.255 1.00 21.05 H new ATOM 0 HB3 TYR A 64 13.940 -10.361 10.699 1.00 21.05 H new ATOM 0 HD1 TYR A 64 12.207 -7.932 8.519 1.00 73.24 H new ATOM 0 HD2 TYR A 64 11.811 -10.622 11.801 1.00 41.43 H new ATOM 0 HE1 TYR A 64 9.684 -7.756 8.368 1.00 21.42 H new ATOM 0 HE2 TYR A 64 9.290 -10.437 11.638 1.00 5.23 H new ATOM 0 HH TYR A 64 7.624 -9.646 10.516 1.00 23.14 H new ATOM 940 N ASP A 65 12.784 -6.689 12.011 1.00 21.42 N ATOM 941 CA ASP A 65 11.847 -6.159 12.986 1.00 14.43 C ATOM 942 C ASP A 65 10.467 -6.022 12.339 1.00 50.10 C ATOM 943 O ASP A 65 10.254 -5.146 11.502 1.00 62.54 O ATOM 944 CB ASP A 65 12.281 -4.774 13.471 1.00 52.13 C ATOM 945 CG ASP A 65 13.134 -4.771 14.741 1.00 71.33 C ATOM 946 OD1 ASP A 65 14.355 -4.562 14.689 1.00 21.44 O ATOM 947 OD2 ASP A 65 12.486 -4.999 15.833 1.00 43.10 O ATOM 0 H ASP A 65 12.937 -6.092 11.198 1.00 21.42 H new ATOM 0 HA ASP A 65 11.818 -6.845 13.833 1.00 14.43 H new ATOM 0 HB2 ASP A 65 12.842 -4.286 12.674 1.00 52.13 H new ATOM 0 HB3 ASP A 65 11.390 -4.172 13.649 1.00 52.13 H new ATOM 953 N ASP A 66 9.565 -6.901 12.752 1.00 44.34 N ATOM 954 CA ASP A 66 8.212 -6.889 12.222 1.00 21.14 C ATOM 955 C ASP A 66 7.516 -5.592 12.641 1.00 25.32 C ATOM 956 O ASP A 66 6.527 -5.190 12.032 1.00 52.23 O ATOM 957 CB ASP A 66 7.396 -8.062 12.771 1.00 43.53 C ATOM 958 CG ASP A 66 6.120 -8.383 11.990 1.00 43.51 C ATOM 959 OD1 ASP A 66 5.208 -7.549 11.887 1.00 71.20 O ATOM 960 OD2 ASP A 66 6.083 -9.561 11.466 1.00 24.05 O ATOM 0 H ASP A 66 9.745 -7.626 13.447 1.00 44.34 H new ATOM 0 HA ASP A 66 8.274 -6.968 11.137 1.00 21.14 H new ATOM 0 HB2 ASP A 66 8.028 -8.950 12.786 1.00 43.53 H new ATOM 0 HB3 ASP A 66 7.127 -7.846 13.805 1.00 43.53 H new ATOM 966 N ALA A 67 8.062 -4.974 13.679 1.00 73.25 N ATOM 967 CA ALA A 67 7.506 -3.731 14.186 1.00 72.31 C ATOM 968 C ALA A 67 7.503 -2.685 13.069 1.00 23.42 C ATOM 969 O ALA A 67 6.716 -1.741 13.100 1.00 32.01 O ATOM 970 CB ALA A 67 8.305 -3.276 15.409 1.00 74.30 C ATOM 0 H ALA A 67 8.883 -5.311 14.182 1.00 73.25 H new ATOM 0 HA ALA A 67 6.474 -3.874 14.506 1.00 72.31 H new ATOM 0 HB1 ALA A 67 7.888 -2.344 15.790 1.00 74.30 H new ATOM 0 HB2 ALA A 67 8.251 -4.041 16.184 1.00 74.30 H new ATOM 0 HB3 ALA A 67 9.346 -3.119 15.126 1.00 74.30 H new ATOM 976 N THR A 68 8.393 -2.889 12.109 1.00 24.22 N ATOM 977 CA THR A 68 8.504 -1.976 10.985 1.00 53.43 C ATOM 978 C THR A 68 8.873 -2.739 9.711 1.00 31.34 C ATOM 979 O THR A 68 9.316 -2.142 8.732 1.00 71.25 O ATOM 980 CB THR A 68 9.514 -0.889 11.356 1.00 45.30 C ATOM 981 OG1 THR A 68 10.678 -1.614 11.744 1.00 70.44 O ATOM 982 CG2 THR A 68 9.114 -0.124 12.619 1.00 4.13 C ATOM 0 H THR A 68 9.044 -3.674 12.087 1.00 24.22 H new ATOM 0 HA THR A 68 7.550 -1.494 10.772 1.00 53.43 H new ATOM 0 HB THR A 68 9.616 -0.190 10.525 1.00 45.30 H new ATOM 0 HG1 THR A 68 11.385 -0.985 11.999 1.00 70.44 H new ATOM 0 HG21 THR A 68 9.865 0.635 12.838 1.00 4.13 H new ATOM 0 HG22 THR A 68 8.148 0.355 12.463 1.00 4.13 H new ATOM 0 HG23 THR A 68 9.044 -0.817 13.457 1.00 4.13 H new ATOM 990 N LYS A 69 8.677 -4.048 9.767 1.00 33.41 N ATOM 991 CA LYS A 69 8.983 -4.900 8.630 1.00 25.04 C ATOM 992 C LYS A 69 10.270 -4.409 7.963 1.00 54.20 C ATOM 993 O LYS A 69 10.256 -4.008 6.800 1.00 32.31 O ATOM 994 CB LYS A 69 7.787 -4.976 7.679 1.00 3.15 C ATOM 995 CG LYS A 69 6.745 -5.974 8.188 1.00 10.10 C ATOM 996 CD LYS A 69 5.615 -5.257 8.930 1.00 4.30 C ATOM 997 CE LYS A 69 4.374 -6.145 9.029 1.00 32.12 C ATOM 998 NZ LYS A 69 3.695 -5.944 10.329 1.00 53.44 N ATOM 0 H LYS A 69 8.310 -4.540 10.582 1.00 33.41 H new ATOM 0 HA LYS A 69 9.164 -5.924 8.958 1.00 25.04 H new ATOM 0 HB2 LYS A 69 7.333 -3.990 7.580 1.00 3.15 H new ATOM 0 HB3 LYS A 69 8.125 -5.273 6.686 1.00 3.15 H new ATOM 0 HG2 LYS A 69 6.335 -6.536 7.349 1.00 10.10 H new ATOM 0 HG3 LYS A 69 7.221 -6.695 8.853 1.00 10.10 H new ATOM 0 HD2 LYS A 69 5.950 -4.981 9.930 1.00 4.30 H new ATOM 0 HD3 LYS A 69 5.364 -4.332 8.411 1.00 4.30 H new ATOM 0 HE2 LYS A 69 3.688 -5.914 8.214 1.00 32.12 H new ATOM 0 HE3 LYS A 69 4.659 -7.191 8.919 1.00 32.12 H new ATOM 0 HZ1 LYS A 69 2.665 -5.992 10.194 1.00 53.44 H new ATOM 0 HZ2 LYS A 69 3.992 -6.686 10.994 1.00 53.44 H new ATOM 0 HZ3 LYS A 69 3.951 -5.012 10.714 1.00 53.44 H new ATOM 1011 N THR A 70 11.350 -4.456 8.728 1.00 45.33 N ATOM 1012 CA THR A 70 12.642 -4.020 8.225 1.00 64.40 C ATOM 1013 C THR A 70 13.719 -5.057 8.552 1.00 32.21 C ATOM 1014 O THR A 70 13.754 -5.593 9.659 1.00 74.34 O ATOM 1015 CB THR A 70 12.935 -2.636 8.808 1.00 73.40 C ATOM 1016 OG1 THR A 70 12.087 -1.762 8.069 1.00 75.04 O ATOM 1017 CG2 THR A 70 14.348 -2.150 8.481 1.00 52.54 C ATOM 0 H THR A 70 11.358 -4.789 9.692 1.00 45.33 H new ATOM 0 HA THR A 70 12.635 -3.936 7.138 1.00 64.40 H new ATOM 0 HB THR A 70 12.802 -2.662 9.890 1.00 73.40 H new ATOM 0 HG1 THR A 70 11.156 -1.900 8.344 1.00 75.04 H new ATOM 0 HG21 THR A 70 14.504 -1.164 8.918 1.00 52.54 H new ATOM 0 HG22 THR A 70 15.077 -2.848 8.892 1.00 52.54 H new ATOM 0 HG23 THR A 70 14.471 -2.091 7.400 1.00 52.54 H new ATOM 1025 N PHE A 71 14.571 -5.309 7.569 1.00 0.42 N ATOM 1026 CA PHE A 71 15.646 -6.272 7.739 1.00 53.24 C ATOM 1027 C PHE A 71 17.012 -5.605 7.564 1.00 71.31 C ATOM 1028 O PHE A 71 17.180 -4.742 6.704 1.00 11.01 O ATOM 1029 CB PHE A 71 15.468 -7.336 6.654 1.00 40.44 C ATOM 1030 CG PHE A 71 14.063 -7.939 6.598 1.00 51.34 C ATOM 1031 CD1 PHE A 71 13.008 -7.170 6.217 1.00 14.34 C ATOM 1032 CD2 PHE A 71 13.869 -9.244 6.928 1.00 44.30 C ATOM 1033 CE1 PHE A 71 11.704 -7.729 6.165 1.00 35.44 C ATOM 1034 CE2 PHE A 71 12.565 -9.803 6.876 1.00 64.31 C ATOM 1035 CZ PHE A 71 11.510 -9.034 6.496 1.00 60.53 C ATOM 0 H PHE A 71 14.539 -4.863 6.652 1.00 0.42 H new ATOM 0 HA PHE A 71 15.607 -6.701 8.740 1.00 53.24 H new ATOM 0 HB2 PHE A 71 15.702 -6.895 5.685 1.00 40.44 H new ATOM 0 HB3 PHE A 71 16.189 -8.136 6.822 1.00 40.44 H new ATOM 0 HD1 PHE A 71 13.162 -6.134 5.954 1.00 14.34 H new ATOM 0 HD2 PHE A 71 14.707 -9.855 7.230 1.00 44.30 H new ATOM 0 HE1 PHE A 71 10.866 -7.118 5.863 1.00 35.44 H new ATOM 0 HE2 PHE A 71 12.411 -10.839 7.138 1.00 64.31 H new ATOM 0 HZ PHE A 71 10.518 -9.459 6.457 1.00 60.53 H new ATOM 1045 N THR A 72 17.953 -6.032 8.393 1.00 10.54 N ATOM 1046 CA THR A 72 19.299 -5.487 8.341 1.00 1.15 C ATOM 1047 C THR A 72 20.332 -6.616 8.344 1.00 14.21 C ATOM 1048 O THR A 72 20.212 -7.570 9.112 1.00 51.44 O ATOM 1049 CB THR A 72 19.460 -4.513 9.510 1.00 25.04 C ATOM 1050 OG1 THR A 72 18.199 -3.854 9.590 1.00 24.42 O ATOM 1051 CG2 THR A 72 20.450 -3.387 9.202 1.00 31.34 C ATOM 0 H THR A 72 17.810 -6.749 9.104 1.00 10.54 H new ATOM 0 HA THR A 72 19.468 -4.937 7.415 1.00 1.15 H new ATOM 0 HB THR A 72 19.793 -5.058 10.393 1.00 25.04 H new ATOM 0 HG1 THR A 72 18.215 -3.205 10.324 1.00 24.42 H new ATOM 0 HG21 THR A 72 20.527 -2.724 10.064 1.00 31.34 H new ATOM 0 HG22 THR A 72 21.429 -3.813 8.983 1.00 31.34 H new ATOM 0 HG23 THR A 72 20.100 -2.820 8.339 1.00 31.34 H new ATOM 1059 N VAL A 73 21.323 -6.470 7.477 1.00 75.32 N ATOM 1060 CA VAL A 73 22.375 -7.466 7.369 1.00 4.14 C ATOM 1061 C VAL A 73 23.708 -6.839 7.782 1.00 5.32 C ATOM 1062 O VAL A 73 24.172 -5.887 7.155 1.00 74.40 O ATOM 1063 CB VAL A 73 22.402 -8.049 5.955 1.00 34.32 C ATOM 1064 CG1 VAL A 73 23.687 -7.656 5.224 1.00 74.23 C ATOM 1065 CG2 VAL A 73 22.231 -9.569 5.986 1.00 23.50 C ATOM 0 H VAL A 73 21.420 -5.677 6.843 1.00 75.32 H new ATOM 0 HA VAL A 73 22.183 -8.299 8.045 1.00 4.14 H new ATOM 0 HB VAL A 73 21.561 -7.629 5.403 1.00 34.32 H new ATOM 0 HG11 VAL A 73 23.680 -8.083 4.221 1.00 74.23 H new ATOM 0 HG12 VAL A 73 23.749 -6.570 5.155 1.00 74.23 H new ATOM 0 HG13 VAL A 73 24.549 -8.034 5.774 1.00 74.23 H new ATOM 0 HG21 VAL A 73 22.254 -9.959 4.968 1.00 23.50 H new ATOM 0 HG22 VAL A 73 23.041 -10.015 6.563 1.00 23.50 H new ATOM 0 HG23 VAL A 73 21.276 -9.818 6.449 1.00 23.50 H new ATOM 1075 N THR A 74 24.288 -7.397 8.835 1.00 71.13 N ATOM 1076 CA THR A 74 25.559 -6.904 9.339 1.00 74.43 C ATOM 1077 C THR A 74 26.676 -7.905 9.038 1.00 72.33 C ATOM 1078 O THR A 74 26.628 -9.048 9.489 1.00 23.51 O ATOM 1079 CB THR A 74 25.393 -6.609 10.831 1.00 70.23 C ATOM 1080 OG1 THR A 74 24.082 -6.060 10.933 1.00 72.54 O ATOM 1081 CG2 THR A 74 26.308 -5.480 11.309 1.00 13.13 C ATOM 0 H THR A 74 23.901 -8.186 9.353 1.00 71.13 H new ATOM 0 HA THR A 74 25.851 -5.980 8.841 1.00 74.43 H new ATOM 0 HB THR A 74 25.600 -7.512 11.405 1.00 70.23 H new ATOM 0 HG1 THR A 74 23.891 -5.841 11.869 1.00 72.54 H new ATOM 0 HG21 THR A 74 26.151 -5.311 12.374 1.00 13.13 H new ATOM 0 HG22 THR A 74 27.348 -5.756 11.135 1.00 13.13 H new ATOM 0 HG23 THR A 74 26.078 -4.568 10.759 1.00 13.13 H new ATOM 1089 N GLU A 75 27.655 -7.439 8.277 1.00 61.13 N ATOM 1090 CA GLU A 75 28.783 -8.279 7.910 1.00 34.10 C ATOM 1091 C GLU A 75 29.867 -8.212 8.987 1.00 2.31 C ATOM 1092 O GLU A 75 31.016 -7.881 8.697 1.00 71.44 O ATOM 1093 CB GLU A 75 29.342 -7.880 6.543 1.00 11.00 C ATOM 1094 CG GLU A 75 29.929 -9.091 5.816 1.00 23.30 C ATOM 1095 CD GLU A 75 31.394 -9.306 6.203 1.00 40.32 C ATOM 1096 OE1 GLU A 75 31.738 -10.351 6.774 1.00 33.20 O ATOM 1097 OE2 GLU A 75 32.188 -8.339 5.888 1.00 1.12 O ATOM 0 H GLU A 75 27.691 -6.490 7.904 1.00 61.13 H new ATOM 0 HA GLU A 75 28.435 -9.309 7.836 1.00 34.10 H new ATOM 0 HB2 GLU A 75 28.551 -7.436 5.938 1.00 11.00 H new ATOM 0 HB3 GLU A 75 30.112 -7.119 6.669 1.00 11.00 H new ATOM 0 HG2 GLU A 75 29.350 -9.982 6.060 1.00 23.30 H new ATOM 0 HG3 GLU A 75 29.851 -8.946 4.739 1.00 23.30 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -1.519 -3.944 -13.459 1.00 30.04 LA