USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 ALA N :NH3+ -119:sc= 0.106 (180deg=0) USER MOD Single : A 3 SER OG : rot 62:sc= 0.148 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= -0.112 (180deg=-0.261) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.976 USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0114 (180deg=-0.165) USER MOD Single : A 12 THR OG1 : rot -107:sc= 1.81 USER MOD Single : A 13 TYR OH : rot -131:sc= -0.0332 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.184 K(o=-0.18,f=-4.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0191) USER MOD Single : A 25 LYS NZ :NH3+ -110:sc= -0.544 (180deg=-1.75!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-6.46e-05 X(o=-6.5e-05,f=-0.1) USER MOD Single : A 34 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-2.9) USER MOD Single : A 38 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= -0.0337 (180deg=-0.253) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -66:sc= 1.31 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 137:sc= -0.265 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 100:sc= -0.22 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 153:sc= -0.642 USER MOD Single : A 106 SER OG : rot -61:sc= 0.571 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.341 1.793 4.218 1.00 0.00 N ATOM 2 CA ALA A 1 3.211 0.952 3.406 1.00 0.00 C ATOM 3 C ALA A 1 3.832 1.747 2.263 1.00 0.00 C ATOM 4 O ALA A 1 3.476 2.901 2.030 1.00 0.00 O ATOM 5 CB ALA A 1 2.435 -0.239 2.862 1.00 0.00 C ATOM 0 H1 ALA A 1 2.701 1.825 5.193 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.323 2.755 3.824 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.378 1.400 4.217 1.00 0.00 H new ATOM 0 HA ALA A 1 4.018 0.587 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.097 -0.859 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.044 -0.828 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.608 0.116 2.247 1.00 0.00 H new ATOM 11 N GLY A 2 4.766 1.121 1.551 1.00 0.00 N ATOM 12 CA GLY A 2 5.423 1.786 0.442 1.00 0.00 C ATOM 13 C GLY A 2 6.635 2.584 0.879 1.00 0.00 C ATOM 14 O GLY A 2 6.960 3.610 0.281 1.00 0.00 O ATOM 0 H GLY A 2 5.078 0.165 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.728 1.042 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.713 2.450 -0.051 1.00 0.00 H new ATOM 18 N SER A 3 7.304 2.114 1.927 1.00 0.00 N ATOM 19 CA SER A 3 8.484 2.794 2.448 1.00 0.00 C ATOM 20 C SER A 3 9.092 2.014 3.609 1.00 0.00 C ATOM 21 O SER A 3 8.588 2.053 4.732 1.00 0.00 O ATOM 22 CB SER A 3 8.124 4.210 2.903 1.00 0.00 C ATOM 23 OG SER A 3 8.700 5.182 2.049 1.00 0.00 O ATOM 0 H SER A 3 7.049 1.265 2.432 1.00 0.00 H new ATOM 0 HA SER A 3 9.221 2.854 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.040 4.327 2.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.472 4.367 3.924 1.00 0.00 H new ATOM 0 HG SER A 3 8.340 5.076 1.144 1.00 0.00 H new ATOM 29 N LYS A 4 10.181 1.304 3.331 1.00 0.00 N ATOM 30 CA LYS A 4 10.861 0.514 4.351 1.00 0.00 C ATOM 31 C LYS A 4 12.288 0.186 3.923 1.00 0.00 C ATOM 32 O LYS A 4 12.794 0.733 2.941 1.00 0.00 O ATOM 33 CB LYS A 4 10.089 -0.779 4.623 1.00 0.00 C ATOM 34 CG LYS A 4 10.000 -1.135 6.097 1.00 0.00 C ATOM 35 CD LYS A 4 10.456 -2.561 6.354 1.00 0.00 C ATOM 36 CE LYS A 4 9.568 -3.568 5.640 1.00 0.00 C ATOM 37 NZ LYS A 4 9.007 -4.578 6.580 1.00 0.00 N ATOM 0 H LYS A 4 10.611 1.260 2.407 1.00 0.00 H new ATOM 0 HA LYS A 4 10.901 1.105 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.081 -0.682 4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.569 -1.598 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.614 -0.446 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.973 -1.013 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.486 -2.681 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.445 -2.760 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.753 -3.044 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.143 -4.074 4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.550 -5.340 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.773 -4.977 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.305 -4.124 7.199 1.00 0.00 H new ATOM 51 N LEU A 5 12.931 -0.710 4.663 1.00 0.00 N ATOM 52 CA LEU A 5 14.300 -1.113 4.358 1.00 0.00 C ATOM 53 C LEU A 5 14.457 -2.627 4.456 1.00 0.00 C ATOM 54 O LEU A 5 13.851 -3.271 5.313 1.00 0.00 O ATOM 55 CB LEU A 5 15.279 -0.425 5.312 1.00 0.00 C ATOM 56 CG LEU A 5 16.445 0.316 4.657 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.045 1.742 4.313 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.662 0.307 5.570 1.00 0.00 C ATOM 0 H LEU A 5 12.527 -1.171 5.478 1.00 0.00 H new ATOM 0 HA LEU A 5 14.523 -0.809 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.721 0.284 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.686 -1.177 5.988 1.00 0.00 H new ATOM 0 HG LEU A 5 16.705 -0.199 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.887 2.254 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.203 1.727 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.758 2.269 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.482 0.839 5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.414 0.798 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.962 -0.722 5.766 1.00 0.00 H new ATOM 70 N CYS A 6 15.275 -3.190 3.573 1.00 0.00 N ATOM 71 CA CYS A 6 15.514 -4.628 3.559 1.00 0.00 C ATOM 72 C CYS A 6 16.996 -4.935 3.754 1.00 0.00 C ATOM 73 O CYS A 6 17.859 -4.150 3.363 1.00 0.00 O ATOM 74 CB CYS A 6 15.024 -5.235 2.243 1.00 0.00 C ATOM 75 SG CYS A 6 13.221 -5.134 2.002 1.00 0.00 S ATOM 0 H CYS A 6 15.784 -2.671 2.857 1.00 0.00 H new ATOM 0 HA CYS A 6 14.958 -5.072 4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.519 -4.728 1.415 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.327 -6.281 2.203 1.00 0.00 H new ATOM 80 N GLU A 7 17.282 -6.083 4.360 1.00 0.00 N ATOM 81 CA GLU A 7 18.659 -6.493 4.607 1.00 0.00 C ATOM 82 C GLU A 7 18.840 -7.983 4.335 1.00 0.00 C ATOM 83 O GLU A 7 17.987 -8.799 4.686 1.00 0.00 O ATOM 84 CB GLU A 7 19.059 -6.175 6.050 1.00 0.00 C ATOM 85 CG GLU A 7 18.287 -6.974 7.086 1.00 0.00 C ATOM 86 CD GLU A 7 18.851 -6.816 8.484 1.00 0.00 C ATOM 87 OE1 GLU A 7 20.089 -6.880 8.635 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.055 -6.627 9.428 1.00 0.00 O ATOM 0 H GLU A 7 16.579 -6.745 4.689 1.00 0.00 H new ATOM 0 HA GLU A 7 19.304 -5.936 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.124 -6.369 6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.905 -5.112 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.244 -6.656 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.300 -8.028 6.810 1.00 0.00 H new ATOM 95 N LYS A 8 19.957 -8.332 3.705 1.00 0.00 N ATOM 96 CA LYS A 8 20.253 -9.724 3.385 1.00 0.00 C ATOM 97 C LYS A 8 21.324 -10.281 4.317 1.00 0.00 C ATOM 98 O LYS A 8 22.127 -9.532 4.875 1.00 0.00 O ATOM 99 CB LYS A 8 20.712 -9.847 1.930 1.00 0.00 C ATOM 100 CG LYS A 8 19.680 -9.370 0.923 1.00 0.00 C ATOM 101 CD LYS A 8 18.654 -10.450 0.623 1.00 0.00 C ATOM 102 CE LYS A 8 17.494 -10.406 1.605 1.00 0.00 C ATOM 103 NZ LYS A 8 16.216 -10.032 0.939 1.00 0.00 N ATOM 0 H LYS A 8 20.673 -7.670 3.406 1.00 0.00 H new ATOM 0 HA LYS A 8 19.341 -10.305 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.629 -9.273 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.956 -10.889 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.175 -8.484 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.180 -9.075 0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.278 -10.324 -0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.132 -11.429 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.384 -11.381 2.080 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.715 -9.689 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.450 -10.013 1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.312 -9.091 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.992 -10.730 0.202 1.00 0.00 H new ATOM 117 N THR A 9 21.332 -11.600 4.479 1.00 0.00 N ATOM 118 CA THR A 9 22.305 -12.258 5.343 1.00 0.00 C ATOM 119 C THR A 9 23.172 -13.232 4.553 1.00 0.00 C ATOM 120 O THR A 9 23.350 -14.383 4.952 1.00 0.00 O ATOM 121 CB THR A 9 21.615 -13.017 6.491 1.00 0.00 C ATOM 122 OG1 THR A 9 20.360 -12.401 6.802 1.00 0.00 O ATOM 123 CG2 THR A 9 22.495 -13.040 7.731 1.00 0.00 C ATOM 0 H THR A 9 20.676 -12.234 4.023 1.00 0.00 H new ATOM 0 HA THR A 9 22.935 -11.474 5.763 1.00 0.00 H new ATOM 0 HB THR A 9 21.445 -14.044 6.167 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.927 -12.891 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 9 21.986 -13.582 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.437 -13.536 7.499 1.00 0.00 H new ATOM 0 HG23 THR A 9 22.693 -12.018 8.056 1.00 0.00 H new ATOM 131 N SER A 10 23.709 -12.763 3.431 1.00 0.00 N ATOM 132 CA SER A 10 24.556 -13.595 2.583 1.00 0.00 C ATOM 133 C SER A 10 23.903 -14.949 2.327 1.00 0.00 C ATOM 134 O SER A 10 24.152 -15.918 3.044 1.00 0.00 O ATOM 135 CB SER A 10 25.927 -13.791 3.232 1.00 0.00 C ATOM 136 OG SER A 10 26.686 -14.764 2.535 1.00 0.00 O ATOM 0 H SER A 10 23.573 -11.812 3.088 1.00 0.00 H new ATOM 0 HA SER A 10 24.684 -13.086 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.466 -12.844 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.801 -14.098 4.270 1.00 0.00 H new ATOM 0 HG SER A 10 27.559 -14.870 2.968 1.00 0.00 H new ATOM 142 N LYS A 11 23.065 -15.010 1.297 1.00 0.00 N ATOM 143 CA LYS A 11 22.376 -16.245 0.942 1.00 0.00 C ATOM 144 C LYS A 11 22.797 -16.724 -0.444 1.00 0.00 C ATOM 145 O LYS A 11 22.176 -17.619 -1.018 1.00 0.00 O ATOM 146 CB LYS A 11 20.860 -16.037 0.983 1.00 0.00 C ATOM 147 CG LYS A 11 20.206 -16.576 2.243 1.00 0.00 C ATOM 148 CD LYS A 11 20.884 -16.043 3.495 1.00 0.00 C ATOM 149 CE LYS A 11 21.593 -17.150 4.259 1.00 0.00 C ATOM 150 NZ LYS A 11 20.633 -18.145 4.812 1.00 0.00 N ATOM 0 H LYS A 11 22.847 -14.217 0.693 1.00 0.00 H new ATOM 0 HA LYS A 11 22.652 -17.008 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.646 -14.972 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.412 -16.521 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.152 -16.300 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.250 -17.665 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.603 -15.271 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.142 -15.572 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.298 -17.654 3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.174 -16.715 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.075 -18.650 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 19.779 -17.655 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.374 -18.827 4.070 1.00 0.00 H new ATOM 164 N THR A 12 23.857 -16.123 -0.976 1.00 0.00 N ATOM 165 CA THR A 12 24.361 -16.489 -2.294 1.00 0.00 C ATOM 166 C THR A 12 25.803 -16.030 -2.477 1.00 0.00 C ATOM 167 O THR A 12 26.268 -15.847 -3.603 1.00 0.00 O ATOM 168 CB THR A 12 23.495 -15.883 -3.414 1.00 0.00 C ATOM 169 OG1 THR A 12 23.819 -16.494 -4.668 1.00 0.00 O ATOM 170 CG2 THR A 12 23.704 -14.379 -3.508 1.00 0.00 C ATOM 0 H THR A 12 24.383 -15.381 -0.514 1.00 0.00 H new ATOM 0 HA THR A 12 24.317 -17.576 -2.359 1.00 0.00 H new ATOM 0 HB THR A 12 22.448 -16.073 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.328 -15.862 -5.218 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.082 -13.974 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.429 -13.914 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.752 -14.170 -3.724 1.00 0.00 H new ATOM 178 N TYR A 13 26.506 -15.847 -1.366 1.00 0.00 N ATOM 179 CA TYR A 13 27.896 -15.407 -1.405 1.00 0.00 C ATOM 180 C TYR A 13 28.846 -16.590 -1.245 1.00 0.00 C ATOM 181 O TYR A 13 29.458 -17.044 -2.212 1.00 0.00 O ATOM 182 CB TYR A 13 28.158 -14.377 -0.305 1.00 0.00 C ATOM 183 CG TYR A 13 29.589 -13.891 -0.259 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.001 -12.808 -1.027 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.530 -14.515 0.551 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.308 -12.361 -0.988 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.838 -14.074 0.596 1.00 0.00 C ATOM 188 CZ TYR A 13 32.222 -12.997 -0.175 1.00 0.00 C ATOM 189 OH TYR A 13 33.525 -12.556 -0.133 1.00 0.00 O ATOM 0 H TYR A 13 26.137 -15.996 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 13 28.078 -14.946 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.498 -13.523 -0.454 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.901 -14.814 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.288 -12.308 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 13 30.233 -15.359 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.612 -11.518 -1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.556 -14.570 1.232 1.00 0.00 H new ATOM 0 HH TYR A 13 34.132 -13.317 -0.244 1.00 0.00 H new ATOM 199 N SER A 14 28.963 -17.085 -0.017 1.00 0.00 N ATOM 200 CA SER A 14 29.840 -18.214 0.272 1.00 0.00 C ATOM 201 C SER A 14 31.260 -17.937 -0.215 1.00 0.00 C ATOM 202 O SER A 14 31.555 -16.855 -0.720 1.00 0.00 O ATOM 203 CB SER A 14 29.303 -19.486 -0.386 1.00 0.00 C ATOM 204 OG SER A 14 29.808 -20.645 0.256 1.00 0.00 O ATOM 0 H SER A 14 28.462 -16.722 0.794 1.00 0.00 H new ATOM 0 HA SER A 14 29.865 -18.355 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.214 -19.489 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.582 -19.500 -1.440 1.00 0.00 H new ATOM 0 HG SER A 14 29.449 -21.445 -0.182 1.00 0.00 H new ATOM 210 N GLY A 15 32.136 -18.925 -0.058 1.00 0.00 N ATOM 211 CA GLY A 15 33.514 -18.769 -0.485 1.00 0.00 C ATOM 212 C GLY A 15 34.286 -17.801 0.389 1.00 0.00 C ATOM 213 O GLY A 15 33.741 -17.241 1.340 1.00 0.00 O ATOM 0 H GLY A 15 31.916 -19.830 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 34.008 -19.741 -0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.534 -18.417 -1.517 1.00 0.00 H new ATOM 217 N LYS A 16 35.560 -17.604 0.068 1.00 0.00 N ATOM 218 CA LYS A 16 36.410 -16.697 0.830 1.00 0.00 C ATOM 219 C LYS A 16 35.743 -15.335 0.994 1.00 0.00 C ATOM 220 O LYS A 16 35.420 -14.668 0.010 1.00 0.00 O ATOM 221 CB LYS A 16 37.765 -16.533 0.139 1.00 0.00 C ATOM 222 CG LYS A 16 37.663 -16.017 -1.286 1.00 0.00 C ATOM 223 CD LYS A 16 38.731 -16.627 -2.178 1.00 0.00 C ATOM 224 CE LYS A 16 39.981 -15.762 -2.223 1.00 0.00 C ATOM 225 NZ LYS A 16 41.183 -16.499 -1.743 1.00 0.00 N ATOM 0 H LYS A 16 36.027 -18.061 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 16 36.564 -17.128 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 16 38.380 -15.847 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 16 38.279 -17.494 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.677 -16.248 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.762 -14.931 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.988 -17.621 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.337 -16.751 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.149 -15.419 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.830 -14.874 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 42.014 -15.875 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.033 -16.804 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 41.342 -17.333 -2.344 1.00 0.00 H new ATOM 239 N CYS A 17 35.541 -14.926 2.242 1.00 0.00 N ATOM 240 CA CYS A 17 34.914 -13.643 2.535 1.00 0.00 C ATOM 241 C CYS A 17 35.915 -12.502 2.387 1.00 0.00 C ATOM 242 O CYS A 17 37.125 -12.705 2.495 1.00 0.00 O ATOM 243 CB CYS A 17 34.334 -13.647 3.951 1.00 0.00 C ATOM 244 SG CYS A 17 32.900 -12.546 4.170 1.00 0.00 S ATOM 0 H CYS A 17 35.803 -15.465 3.067 1.00 0.00 H new ATOM 0 HA CYS A 17 34.107 -13.489 1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.040 -14.664 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.115 -13.353 4.653 1.00 0.00 H new ATOM 249 N ASP A 18 35.403 -11.301 2.140 1.00 0.00 N ATOM 250 CA ASP A 18 36.252 -10.126 1.978 1.00 0.00 C ATOM 251 C ASP A 18 35.457 -8.846 2.215 1.00 0.00 C ATOM 252 O ASP A 18 34.329 -8.885 2.704 1.00 0.00 O ATOM 253 CB ASP A 18 36.871 -10.106 0.580 1.00 0.00 C ATOM 254 CG ASP A 18 38.349 -9.772 0.606 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.686 -8.584 0.794 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.170 -10.698 0.439 1.00 0.00 O ATOM 0 H ASP A 18 34.404 -11.115 2.048 1.00 0.00 H new ATOM 0 HA ASP A 18 37.050 -10.179 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.730 -11.079 0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.347 -9.375 -0.036 1.00 0.00 H new ATOM 261 N ASN A 19 36.055 -7.711 1.865 1.00 0.00 N ATOM 262 CA ASN A 19 35.404 -6.418 2.041 1.00 0.00 C ATOM 263 C ASN A 19 34.680 -5.996 0.766 1.00 0.00 C ATOM 264 O ASN A 19 33.451 -5.933 0.728 1.00 0.00 O ATOM 265 CB ASN A 19 36.433 -5.355 2.433 1.00 0.00 C ATOM 266 CG ASN A 19 37.780 -5.585 1.777 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.020 -5.140 0.654 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.668 -6.283 2.476 1.00 0.00 N ATOM 0 H ASN A 19 36.989 -7.661 1.458 1.00 0.00 H new ATOM 0 HA ASN A 19 34.669 -6.514 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.059 -4.370 2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.555 -5.353 3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.592 -6.469 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 19 38.426 -6.633 3.403 1.00 0.00 H new ATOM 275 N LYS A 20 35.451 -5.707 -0.277 1.00 0.00 N ATOM 276 CA LYS A 20 34.885 -5.292 -1.555 1.00 0.00 C ATOM 277 C LYS A 20 34.132 -6.442 -2.216 1.00 0.00 C ATOM 278 O LYS A 20 33.076 -6.243 -2.817 1.00 0.00 O ATOM 279 CB LYS A 20 35.990 -4.790 -2.487 1.00 0.00 C ATOM 280 CG LYS A 20 35.508 -3.782 -3.515 1.00 0.00 C ATOM 281 CD LYS A 20 35.795 -4.249 -4.932 1.00 0.00 C ATOM 282 CE LYS A 20 37.040 -3.583 -5.497 1.00 0.00 C ATOM 283 NZ LYS A 20 38.287 -4.238 -5.015 1.00 0.00 N ATOM 0 H LYS A 20 36.470 -5.753 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 20 34.181 -4.481 -1.366 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.780 -4.336 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.431 -5.641 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.437 -3.622 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 20 35.996 -2.823 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 20 35.924 -5.331 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 20 34.940 -4.025 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 20 37.009 -3.619 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.049 -2.531 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.113 -3.755 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 38.330 -4.182 -3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 38.290 -5.236 -5.308 1.00 0.00 H new ATOM 297 N LYS A 21 34.681 -7.647 -2.100 1.00 0.00 N ATOM 298 CA LYS A 21 34.061 -8.830 -2.683 1.00 0.00 C ATOM 299 C LYS A 21 32.669 -9.057 -2.102 1.00 0.00 C ATOM 300 O LYS A 21 31.777 -9.569 -2.780 1.00 0.00 O ATOM 301 CB LYS A 21 34.934 -10.063 -2.438 1.00 0.00 C ATOM 302 CG LYS A 21 36.260 -10.026 -3.179 1.00 0.00 C ATOM 303 CD LYS A 21 36.058 -9.842 -4.674 1.00 0.00 C ATOM 304 CE LYS A 21 36.188 -8.382 -5.079 1.00 0.00 C ATOM 305 NZ LYS A 21 37.327 -8.165 -6.014 1.00 0.00 N ATOM 0 H LYS A 21 35.555 -7.829 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 21 33.966 -8.667 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.127 -10.155 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.383 -10.954 -2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.872 -9.212 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.806 -10.951 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.791 -10.438 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.073 -10.213 -4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.263 -8.052 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.327 -7.769 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.382 -7.158 -6.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.214 -8.456 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.182 -8.730 -6.875 1.00 0.00 H new ATOM 319 N CYS A 22 32.488 -8.673 -0.843 1.00 0.00 N ATOM 320 CA CYS A 22 31.205 -8.833 -0.170 1.00 0.00 C ATOM 321 C CYS A 22 30.231 -7.736 -0.589 1.00 0.00 C ATOM 322 O CYS A 22 29.167 -8.013 -1.143 1.00 0.00 O ATOM 323 CB CYS A 22 31.395 -8.811 1.348 1.00 0.00 C ATOM 324 SG CYS A 22 29.846 -8.975 2.293 1.00 0.00 S ATOM 0 H CYS A 22 33.215 -8.248 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 22 30.787 -9.796 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.068 -9.620 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.883 -7.878 1.629 1.00 0.00 H new ATOM 329 N ASP A 23 30.602 -6.489 -0.320 1.00 0.00 N ATOM 330 CA ASP A 23 29.762 -5.349 -0.669 1.00 0.00 C ATOM 331 C ASP A 23 29.385 -5.384 -2.147 1.00 0.00 C ATOM 332 O ASP A 23 28.265 -5.036 -2.521 1.00 0.00 O ATOM 333 CB ASP A 23 30.483 -4.039 -0.346 1.00 0.00 C ATOM 334 CG ASP A 23 29.525 -2.931 0.041 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.371 -2.950 -0.437 1.00 0.00 O ATOM 336 OD2 ASP A 23 29.927 -2.044 0.823 1.00 0.00 O ATOM 0 H ASP A 23 31.479 -6.242 0.139 1.00 0.00 H new ATOM 0 HA ASP A 23 28.848 -5.408 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.188 -4.207 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.066 -3.725 -1.212 1.00 0.00 H new ATOM 341 N LYS A 24 30.327 -5.806 -2.983 1.00 0.00 N ATOM 342 CA LYS A 24 30.095 -5.888 -4.420 1.00 0.00 C ATOM 343 C LYS A 24 29.028 -6.930 -4.740 1.00 0.00 C ATOM 344 O LYS A 24 28.082 -6.658 -5.481 1.00 0.00 O ATOM 345 CB LYS A 24 31.395 -6.234 -5.149 1.00 0.00 C ATOM 346 CG LYS A 24 31.201 -6.556 -6.620 1.00 0.00 C ATOM 347 CD LYS A 24 32.527 -6.812 -7.315 1.00 0.00 C ATOM 348 CE LYS A 24 32.329 -7.178 -8.778 1.00 0.00 C ATOM 349 NZ LYS A 24 31.879 -6.011 -9.586 1.00 0.00 N ATOM 0 H LYS A 24 31.260 -6.097 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 24 29.742 -4.915 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.087 -5.397 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.861 -7.088 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.562 -7.433 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.686 -5.729 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.154 -5.923 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.056 -7.618 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.264 -7.563 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.594 -7.979 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.821 -6.284 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 30.942 -5.701 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.559 -5.232 -9.479 1.00 0.00 H new ATOM 363 N LYS A 25 29.184 -8.123 -4.177 1.00 0.00 N ATOM 364 CA LYS A 25 28.233 -9.206 -4.399 1.00 0.00 C ATOM 365 C LYS A 25 26.838 -8.810 -3.927 1.00 0.00 C ATOM 366 O LYS A 25 25.834 -9.310 -4.436 1.00 0.00 O ATOM 367 CB LYS A 25 28.690 -10.471 -3.670 1.00 0.00 C ATOM 368 CG LYS A 25 28.464 -11.746 -4.465 1.00 0.00 C ATOM 369 CD LYS A 25 27.033 -12.241 -4.328 1.00 0.00 C ATOM 370 CE LYS A 25 26.748 -12.740 -2.920 1.00 0.00 C ATOM 371 NZ LYS A 25 26.061 -11.707 -2.095 1.00 0.00 N ATOM 0 H LYS A 25 29.961 -8.365 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 25 28.192 -9.406 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 29.751 -10.382 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 25 28.159 -10.545 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.689 -11.565 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 25 29.152 -12.518 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.343 -11.435 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.855 -13.044 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 25 26.129 -13.636 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.684 -13.026 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.712 -11.357 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.766 -10.916 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.224 -12.125 -1.641 1.00 0.00 H new ATOM 385 N CYS A 26 26.782 -7.909 -2.952 1.00 0.00 N ATOM 386 CA CYS A 26 25.510 -7.444 -2.412 1.00 0.00 C ATOM 387 C CYS A 26 24.723 -6.667 -3.463 1.00 0.00 C ATOM 388 O CYS A 26 23.565 -6.979 -3.742 1.00 0.00 O ATOM 389 CB CYS A 26 25.745 -6.565 -1.182 1.00 0.00 C ATOM 390 SG CYS A 26 26.372 -7.470 0.270 1.00 0.00 S ATOM 0 H CYS A 26 27.603 -7.486 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 26 24.927 -8.318 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.454 -5.779 -1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.809 -6.075 -0.915 1.00 0.00 H new ATOM 395 N ILE A 27 25.360 -5.656 -4.043 1.00 0.00 N ATOM 396 CA ILE A 27 24.721 -4.836 -5.064 1.00 0.00 C ATOM 397 C ILE A 27 24.737 -5.534 -6.420 1.00 0.00 C ATOM 398 O ILE A 27 23.995 -5.163 -7.328 1.00 0.00 O ATOM 399 CB ILE A 27 25.409 -3.464 -5.197 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.634 -2.846 -3.816 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.577 -2.536 -6.070 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.093 -2.615 -3.488 1.00 0.00 C ATOM 0 H ILE A 27 26.318 -5.385 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 27 23.689 -4.686 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 27 26.379 -3.605 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.103 -1.896 -3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.199 -3.499 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.076 -1.571 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.464 -2.974 -7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.594 -2.398 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.177 -2.175 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.626 -3.566 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.528 -1.938 -4.223 1.00 0.00 H new ATOM 414 N GLU A 28 25.588 -6.547 -6.547 1.00 0.00 N ATOM 415 CA GLU A 28 25.700 -7.298 -7.793 1.00 0.00 C ATOM 416 C GLU A 28 24.637 -8.390 -7.867 1.00 0.00 C ATOM 417 O GLU A 28 24.002 -8.584 -8.903 1.00 0.00 O ATOM 418 CB GLU A 28 27.093 -7.918 -7.917 1.00 0.00 C ATOM 419 CG GLU A 28 28.137 -6.964 -8.474 1.00 0.00 C ATOM 420 CD GLU A 28 28.523 -7.291 -9.903 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.430 -8.128 -10.095 1.00 0.00 O ATOM 422 OE2 GLU A 28 27.919 -6.710 -10.829 1.00 0.00 O ATOM 0 H GLU A 28 26.209 -6.867 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 28 25.543 -6.606 -8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.416 -8.264 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.035 -8.796 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.753 -5.945 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.026 -6.997 -7.845 1.00 0.00 H new ATOM 429 N TRP A 29 24.450 -9.101 -6.760 1.00 0.00 N ATOM 430 CA TRP A 29 23.464 -10.174 -6.699 1.00 0.00 C ATOM 431 C TRP A 29 22.217 -9.726 -5.945 1.00 0.00 C ATOM 432 O TRP A 29 21.099 -9.861 -6.442 1.00 0.00 O ATOM 433 CB TRP A 29 24.066 -11.409 -6.027 1.00 0.00 C ATOM 434 CG TRP A 29 25.123 -12.079 -6.851 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.177 -11.477 -7.479 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.228 -13.477 -7.139 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.930 -12.417 -8.139 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.370 -13.652 -7.946 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.470 -14.599 -6.793 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.768 -14.903 -8.411 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.866 -15.839 -7.255 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.007 -15.984 -8.056 1.00 0.00 C ATOM 0 H TRP A 29 24.968 -8.954 -5.894 1.00 0.00 H new ATOM 0 HA TRP A 29 23.176 -10.428 -7.719 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.493 -11.119 -5.067 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.270 -12.124 -5.819 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.387 -10.418 -7.459 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.770 -12.226 -8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.590 -14.498 -6.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.646 -15.016 -9.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 24.286 -16.712 -6.994 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.291 -16.968 -8.400 1.00 0.00 H new ATOM 453 N GLU A 30 22.417 -9.194 -4.744 1.00 0.00 N ATOM 454 CA GLU A 30 21.306 -8.726 -3.922 1.00 0.00 C ATOM 455 C GLU A 30 20.913 -7.301 -4.298 1.00 0.00 C ATOM 456 O GLU A 30 19.985 -6.729 -3.726 1.00 0.00 O ATOM 457 CB GLU A 30 21.678 -8.790 -2.439 1.00 0.00 C ATOM 458 CG GLU A 30 22.116 -10.171 -1.980 1.00 0.00 C ATOM 459 CD GLU A 30 20.968 -10.992 -1.424 1.00 0.00 C ATOM 460 OE1 GLU A 30 19.861 -10.929 -1.997 1.00 0.00 O ATOM 461 OE2 GLU A 30 21.179 -11.698 -0.415 1.00 0.00 O ATOM 0 H GLU A 30 23.336 -9.076 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 30 20.453 -9.379 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.481 -8.080 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.821 -8.474 -1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.566 -10.703 -2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.888 -10.069 -1.217 1.00 0.00 H new ATOM 468 N LYS A 31 21.626 -6.732 -5.264 1.00 0.00 N ATOM 469 CA LYS A 31 21.354 -5.374 -5.719 1.00 0.00 C ATOM 470 C LYS A 31 21.108 -4.443 -4.535 1.00 0.00 C ATOM 471 O LYS A 31 20.302 -3.517 -4.620 1.00 0.00 O ATOM 472 CB LYS A 31 20.142 -5.360 -6.653 1.00 0.00 C ATOM 473 CG LYS A 31 20.195 -6.426 -7.734 1.00 0.00 C ATOM 474 CD LYS A 31 21.511 -6.386 -8.492 1.00 0.00 C ATOM 475 CE LYS A 31 21.745 -5.025 -9.131 1.00 0.00 C ATOM 476 NZ LYS A 31 22.705 -5.104 -10.267 1.00 0.00 N ATOM 0 H LYS A 31 22.398 -7.191 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 31 22.228 -5.018 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.237 -5.498 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.068 -4.380 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.063 -7.410 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.369 -6.281 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.331 -6.616 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.511 -7.156 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 31 20.796 -4.622 -9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.126 -4.332 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.838 -4.157 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.618 -5.465 -9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.330 -5.745 -10.995 1.00 0.00 H new ATOM 490 N ALA A 32 21.808 -4.695 -3.434 1.00 0.00 N ATOM 491 CA ALA A 32 21.668 -3.878 -2.236 1.00 0.00 C ATOM 492 C ALA A 32 22.427 -2.562 -2.376 1.00 0.00 C ATOM 493 O ALA A 32 22.837 -2.187 -3.474 1.00 0.00 O ATOM 494 CB ALA A 32 22.156 -4.643 -1.015 1.00 0.00 C ATOM 0 H ALA A 32 22.478 -5.459 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 32 20.611 -3.646 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.045 -4.020 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.567 -5.552 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.206 -4.905 -1.146 1.00 0.00 H new ATOM 500 N GLN A 33 22.609 -1.867 -1.258 1.00 0.00 N ATOM 501 CA GLN A 33 23.317 -0.593 -1.259 1.00 0.00 C ATOM 502 C GLN A 33 24.695 -0.736 -0.621 1.00 0.00 C ATOM 503 O GLN A 33 25.696 -0.273 -1.169 1.00 0.00 O ATOM 504 CB GLN A 33 22.504 0.467 -0.513 1.00 0.00 C ATOM 505 CG GLN A 33 21.213 0.851 -1.218 1.00 0.00 C ATOM 506 CD GLN A 33 21.282 2.225 -1.854 1.00 0.00 C ATOM 507 OE1 GLN A 33 21.572 3.218 -1.185 1.00 0.00 O ATOM 508 NE2 GLN A 33 21.015 2.291 -3.153 1.00 0.00 N ATOM 0 H GLN A 33 22.276 -2.165 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 33 23.447 -0.279 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 33 22.267 0.096 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.117 1.359 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.989 0.110 -1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.391 0.827 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.779 1.443 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 33 21.046 3.189 -3.635 1.00 0.00 H new ATOM 517 N HIS A 34 24.740 -1.380 0.541 1.00 0.00 N ATOM 518 CA HIS A 34 25.995 -1.584 1.255 1.00 0.00 C ATOM 519 C HIS A 34 25.989 -2.918 1.996 1.00 0.00 C ATOM 520 O HIS A 34 24.931 -3.440 2.345 1.00 0.00 O ATOM 521 CB HIS A 34 26.238 -0.441 2.241 1.00 0.00 C ATOM 522 CG HIS A 34 24.985 0.080 2.874 1.00 0.00 C ATOM 523 ND1 HIS A 34 24.128 0.953 2.239 1.00 0.00 N ATOM 524 CD2 HIS A 34 24.445 -0.156 4.093 1.00 0.00 C ATOM 525 CE1 HIS A 34 23.115 1.234 3.041 1.00 0.00 C ATOM 526 NE2 HIS A 34 23.284 0.573 4.172 1.00 0.00 N ATOM 0 H HIS A 34 23.921 -1.770 1.008 1.00 0.00 H new ATOM 0 HA HIS A 34 26.802 -1.599 0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 34 26.915 -0.785 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.740 0.376 1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 34 24.852 -0.798 4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 34 22.290 1.892 2.811 1.00 0.00 H new ATOM 0 HE2 HIS A 34 22.654 0.600 4.974 1.00 0.00 H new ATOM 534 N GLY A 35 27.178 -3.465 2.231 1.00 0.00 N ATOM 535 CA GLY A 35 27.286 -4.733 2.928 1.00 0.00 C ATOM 536 C GLY A 35 28.549 -4.831 3.761 1.00 0.00 C ATOM 537 O GLY A 35 29.426 -3.973 3.673 1.00 0.00 O ATOM 0 H GLY A 35 28.068 -3.053 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.418 -4.864 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.269 -5.546 2.202 1.00 0.00 H new ATOM 541 N ALA A 36 28.641 -5.880 4.572 1.00 0.00 N ATOM 542 CA ALA A 36 29.805 -6.087 5.424 1.00 0.00 C ATOM 543 C ALA A 36 30.066 -7.573 5.644 1.00 0.00 C ATOM 544 O ALA A 36 29.199 -8.411 5.393 1.00 0.00 O ATOM 545 CB ALA A 36 29.617 -5.378 6.757 1.00 0.00 C ATOM 0 H ALA A 36 27.923 -6.600 4.657 1.00 0.00 H new ATOM 0 HA ALA A 36 30.674 -5.663 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.494 -5.541 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.488 -4.309 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.734 -5.775 7.259 1.00 0.00 H new ATOM 551 N CYS A 37 31.267 -7.895 6.115 1.00 0.00 N ATOM 552 CA CYS A 37 31.643 -9.280 6.369 1.00 0.00 C ATOM 553 C CYS A 37 32.020 -9.482 7.834 1.00 0.00 C ATOM 554 O CYS A 37 32.629 -8.611 8.455 1.00 0.00 O ATOM 555 CB CYS A 37 32.813 -9.685 5.470 1.00 0.00 C ATOM 556 SG CYS A 37 33.342 -11.417 5.674 1.00 0.00 S ATOM 0 H CYS A 37 31.996 -7.214 6.328 1.00 0.00 H new ATOM 0 HA CYS A 37 30.783 -9.911 6.143 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.531 -9.522 4.430 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.660 -9.031 5.677 1.00 0.00 H new ATOM 561 N HIS A 38 31.652 -10.637 8.380 1.00 0.00 N ATOM 562 CA HIS A 38 31.952 -10.954 9.772 1.00 0.00 C ATOM 563 C HIS A 38 32.300 -12.431 9.930 1.00 0.00 C ATOM 564 O HIS A 38 31.946 -13.257 9.088 1.00 0.00 O ATOM 565 CB HIS A 38 30.763 -10.600 10.665 1.00 0.00 C ATOM 566 CG HIS A 38 31.125 -10.442 12.110 1.00 0.00 C ATOM 567 ND1 HIS A 38 30.349 -10.932 13.139 1.00 0.00 N ATOM 568 CD2 HIS A 38 32.189 -9.844 12.695 1.00 0.00 C ATOM 569 CE1 HIS A 38 30.919 -10.641 14.294 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.037 -9.982 14.053 1.00 0.00 N ATOM 0 H HIS A 38 31.146 -11.368 7.880 1.00 0.00 H new ATOM 0 HA HIS A 38 32.815 -10.361 10.076 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.314 -9.673 10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.005 -11.378 10.572 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.005 -9.350 12.188 1.00 0.00 H new ATOM 0 HE1 HIS A 38 30.536 -10.899 15.270 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.683 -9.632 14.760 1.00 0.00 H new ATOM 578 N LYS A 39 32.997 -12.757 11.013 1.00 0.00 N ATOM 579 CA LYS A 39 33.394 -14.134 11.282 1.00 0.00 C ATOM 580 C LYS A 39 32.991 -14.551 12.693 1.00 0.00 C ATOM 581 O LYS A 39 33.250 -13.834 13.660 1.00 0.00 O ATOM 582 CB LYS A 39 34.905 -14.296 11.104 1.00 0.00 C ATOM 583 CG LYS A 39 35.724 -13.522 12.123 1.00 0.00 C ATOM 584 CD LYS A 39 36.187 -14.416 13.261 1.00 0.00 C ATOM 585 CE LYS A 39 37.696 -14.357 13.438 1.00 0.00 C ATOM 586 NZ LYS A 39 38.263 -15.682 13.812 1.00 0.00 N ATOM 0 H LYS A 39 33.299 -12.086 11.719 1.00 0.00 H new ATOM 0 HA LYS A 39 32.879 -14.779 10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.159 -15.354 11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.182 -13.967 10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.590 -13.077 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 35.128 -12.702 12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.699 -14.111 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.883 -15.444 13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 39 38.157 -14.013 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.943 -13.626 14.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 39.294 -15.600 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 37.842 -15.999 14.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 38.050 -16.374 13.066 1.00 0.00 H new ATOM 600 N ARG A 40 32.356 -15.713 12.803 1.00 0.00 N ATOM 601 CA ARG A 40 31.917 -16.224 14.096 1.00 0.00 C ATOM 602 C ARG A 40 31.459 -17.675 13.980 1.00 0.00 C ATOM 603 O ARG A 40 31.736 -18.345 12.986 1.00 0.00 O ATOM 604 CB ARG A 40 30.782 -15.362 14.651 1.00 0.00 C ATOM 605 CG ARG A 40 30.961 -14.987 16.113 1.00 0.00 C ATOM 606 CD ARG A 40 31.424 -13.547 16.266 1.00 0.00 C ATOM 607 NE ARG A 40 31.133 -13.017 17.596 1.00 0.00 N ATOM 608 CZ ARG A 40 29.940 -12.559 17.960 1.00 0.00 C ATOM 609 NH1 ARG A 40 28.933 -12.567 17.098 1.00 0.00 N ATOM 610 NH2 ARG A 40 29.754 -12.093 19.188 1.00 0.00 N ATOM 0 H ARG A 40 32.134 -16.318 12.013 1.00 0.00 H new ATOM 0 HA ARG A 40 32.764 -16.182 14.781 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.706 -14.451 14.058 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.840 -15.898 14.535 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.019 -15.126 16.643 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.688 -15.655 16.575 1.00 0.00 H new ATOM 0 HD2 ARG A 40 32.496 -13.489 16.079 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.936 -12.927 15.514 1.00 0.00 H new ATOM 0 HE ARG A 40 31.887 -12.997 18.283 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.073 -12.925 16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 40 28.018 -12.215 17.379 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.527 -12.086 19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.838 -11.742 19.467 1.00 0.00 H new ATOM 624 N GLU A 41 30.756 -18.152 15.003 1.00 0.00 N ATOM 625 CA GLU A 41 30.261 -19.524 15.015 1.00 0.00 C ATOM 626 C GLU A 41 31.306 -20.484 14.455 1.00 0.00 C ATOM 627 O GLU A 41 31.309 -20.788 13.262 1.00 0.00 O ATOM 628 CB GLU A 41 28.968 -19.629 14.203 1.00 0.00 C ATOM 629 CG GLU A 41 29.038 -18.935 12.853 1.00 0.00 C ATOM 630 CD GLU A 41 27.756 -19.078 12.057 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.797 -19.683 12.580 1.00 0.00 O ATOM 632 OE2 GLU A 41 27.711 -18.586 10.910 1.00 0.00 O ATOM 0 H GLU A 41 30.517 -17.609 15.833 1.00 0.00 H new ATOM 0 HA GLU A 41 30.056 -19.801 16.049 1.00 0.00 H new ATOM 0 HB2 GLU A 41 28.730 -20.682 14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.150 -19.199 14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.252 -17.877 13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 41 29.866 -19.349 12.278 1.00 0.00 H new ATOM 639 N ALA A 42 32.191 -20.959 15.325 1.00 0.00 N ATOM 640 CA ALA A 42 33.240 -21.886 14.919 1.00 0.00 C ATOM 641 C ALA A 42 34.266 -21.197 14.027 1.00 0.00 C ATOM 642 O ALA A 42 35.390 -20.928 14.449 1.00 0.00 O ATOM 643 CB ALA A 42 32.636 -23.085 14.203 1.00 0.00 C ATOM 0 H ALA A 42 32.202 -20.717 16.316 1.00 0.00 H new ATOM 0 HA ALA A 42 33.752 -22.232 15.817 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.431 -23.769 13.905 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.946 -23.599 14.872 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.098 -22.747 13.318 1.00 0.00 H new ATOM 649 N GLY A 43 33.873 -20.914 12.788 1.00 0.00 N ATOM 650 CA GLY A 43 34.771 -20.259 11.856 1.00 0.00 C ATOM 651 C GLY A 43 34.113 -19.972 10.521 1.00 0.00 C ATOM 652 O GLY A 43 34.739 -20.106 9.469 1.00 0.00 O ATOM 0 H GLY A 43 32.948 -21.127 12.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.124 -19.324 12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.647 -20.888 11.698 1.00 0.00 H new ATOM 656 N LYS A 44 32.845 -19.577 10.561 1.00 0.00 N ATOM 657 CA LYS A 44 32.099 -19.271 9.346 1.00 0.00 C ATOM 658 C LYS A 44 31.987 -17.764 9.141 1.00 0.00 C ATOM 659 O LYS A 44 31.835 -17.009 10.100 1.00 0.00 O ATOM 660 CB LYS A 44 30.702 -19.893 9.409 1.00 0.00 C ATOM 661 CG LYS A 44 30.624 -21.122 10.298 1.00 0.00 C ATOM 662 CD LYS A 44 31.548 -22.224 9.809 1.00 0.00 C ATOM 663 CE LYS A 44 32.047 -23.085 10.960 1.00 0.00 C ATOM 664 NZ LYS A 44 33.495 -23.407 10.824 1.00 0.00 N ATOM 0 H LYS A 44 32.312 -19.461 11.423 1.00 0.00 H new ATOM 0 HA LYS A 44 32.641 -19.696 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.997 -19.146 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.388 -20.163 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.889 -20.850 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 44 29.598 -21.490 10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 44 31.021 -22.849 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 44 32.398 -21.783 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.878 -22.565 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 44 31.471 -24.010 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 33.908 -23.555 11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 33.607 -24.272 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 33.983 -22.619 10.353 1.00 0.00 H new ATOM 678 N GLU A 45 32.063 -17.334 7.885 1.00 0.00 N ATOM 679 CA GLU A 45 31.969 -15.917 7.557 1.00 0.00 C ATOM 680 C GLU A 45 30.555 -15.553 7.115 1.00 0.00 C ATOM 681 O GLU A 45 29.995 -16.175 6.212 1.00 0.00 O ATOM 682 CB GLU A 45 32.968 -15.559 6.454 1.00 0.00 C ATOM 683 CG GLU A 45 34.338 -15.165 6.978 1.00 0.00 C ATOM 684 CD GLU A 45 35.394 -16.216 6.698 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.184 -17.385 7.085 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.430 -15.871 6.092 1.00 0.00 O ATOM 0 H GLU A 45 32.189 -17.946 7.079 1.00 0.00 H new ATOM 0 HA GLU A 45 32.209 -15.346 8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.076 -16.411 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.564 -14.737 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.640 -14.222 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.277 -14.994 8.053 1.00 0.00 H new ATOM 693 N SER A 46 29.982 -14.541 7.759 1.00 0.00 N ATOM 694 CA SER A 46 28.631 -14.097 7.437 1.00 0.00 C ATOM 695 C SER A 46 28.645 -12.676 6.881 1.00 0.00 C ATOM 696 O SER A 46 29.213 -11.765 7.486 1.00 0.00 O ATOM 697 CB SER A 46 27.740 -14.162 8.679 1.00 0.00 C ATOM 698 OG SER A 46 28.504 -14.428 9.842 1.00 0.00 O ATOM 0 H SER A 46 30.432 -14.013 8.507 1.00 0.00 H new ATOM 0 HA SER A 46 28.228 -14.764 6.675 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.208 -13.218 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.987 -14.939 8.550 1.00 0.00 H new ATOM 0 HG SER A 46 27.911 -14.463 10.622 1.00 0.00 H new ATOM 704 N CYS A 47 28.015 -12.493 5.725 1.00 0.00 N ATOM 705 CA CYS A 47 27.954 -11.185 5.086 1.00 0.00 C ATOM 706 C CYS A 47 26.530 -10.637 5.103 1.00 0.00 C ATOM 707 O CYS A 47 25.589 -11.310 4.682 1.00 0.00 O ATOM 708 CB CYS A 47 28.460 -11.274 3.645 1.00 0.00 C ATOM 709 SG CYS A 47 30.128 -10.584 3.398 1.00 0.00 S ATOM 0 H CYS A 47 27.539 -13.235 5.212 1.00 0.00 H new ATOM 0 HA CYS A 47 28.594 -10.504 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.461 -12.319 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.761 -10.750 2.993 1.00 0.00 H new ATOM 714 N PHE A 48 26.379 -9.410 5.593 1.00 0.00 N ATOM 715 CA PHE A 48 25.071 -8.771 5.666 1.00 0.00 C ATOM 716 C PHE A 48 25.029 -7.515 4.801 1.00 0.00 C ATOM 717 O PHE A 48 25.989 -6.746 4.757 1.00 0.00 O ATOM 718 CB PHE A 48 24.733 -8.417 7.116 1.00 0.00 C ATOM 719 CG PHE A 48 25.938 -8.075 7.945 1.00 0.00 C ATOM 720 CD1 PHE A 48 26.658 -9.070 8.587 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.350 -6.760 8.084 1.00 0.00 C ATOM 722 CE1 PHE A 48 27.767 -8.759 9.351 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.458 -6.443 8.846 1.00 0.00 C ATOM 724 CZ PHE A 48 28.167 -7.444 9.481 1.00 0.00 C ATOM 0 H PHE A 48 27.147 -8.839 5.945 1.00 0.00 H new ATOM 0 HA PHE A 48 24.329 -9.475 5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.044 -7.572 7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.212 -9.257 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 48 26.349 -10.100 8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.799 -5.973 7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 48 28.320 -9.544 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.769 -5.414 8.945 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.033 -7.198 10.078 1.00 0.00 H new ATOM 734 N CYS A 49 23.910 -7.315 4.113 1.00 0.00 N ATOM 735 CA CYS A 49 23.742 -6.154 3.247 1.00 0.00 C ATOM 736 C CYS A 49 22.464 -5.396 3.596 1.00 0.00 C ATOM 737 O CYS A 49 21.525 -5.965 4.153 1.00 0.00 O ATOM 738 CB CYS A 49 23.707 -6.586 1.780 1.00 0.00 C ATOM 739 SG CYS A 49 24.841 -7.954 1.381 1.00 0.00 S ATOM 0 H CYS A 49 23.106 -7.942 4.138 1.00 0.00 H new ATOM 0 HA CYS A 49 24.592 -5.490 3.403 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.690 -6.885 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.954 -5.729 1.154 1.00 0.00 H new ATOM 744 N TYR A 50 22.436 -4.110 3.265 1.00 0.00 N ATOM 745 CA TYR A 50 21.275 -3.273 3.545 1.00 0.00 C ATOM 746 C TYR A 50 20.970 -2.354 2.367 1.00 0.00 C ATOM 747 O TYR A 50 21.872 -1.751 1.784 1.00 0.00 O ATOM 748 CB TYR A 50 21.512 -2.442 4.807 1.00 0.00 C ATOM 749 CG TYR A 50 22.167 -3.217 5.928 1.00 0.00 C ATOM 750 CD1 TYR A 50 23.548 -3.346 5.996 1.00 0.00 C ATOM 751 CD2 TYR A 50 21.403 -3.820 6.921 1.00 0.00 C ATOM 752 CE1 TYR A 50 24.150 -4.053 7.019 1.00 0.00 C ATOM 753 CE2 TYR A 50 21.997 -4.528 7.947 1.00 0.00 C ATOM 754 CZ TYR A 50 23.370 -4.642 7.992 1.00 0.00 C ATOM 755 OH TYR A 50 23.966 -5.347 9.013 1.00 0.00 O ATOM 0 H TYR A 50 23.204 -3.624 2.802 1.00 0.00 H new ATOM 0 HA TYR A 50 20.417 -3.926 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.137 -1.585 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.558 -2.049 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 50 24.162 -2.886 5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 50 20.327 -3.733 6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 50 25.226 -4.144 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 50 21.389 -4.990 8.710 1.00 0.00 H new ATOM 0 HH TYR A 50 24.399 -6.147 8.649 1.00 0.00 H new ATOM 765 N PHE A 51 19.691 -2.250 2.021 1.00 0.00 N ATOM 766 CA PHE A 51 19.264 -1.405 0.912 1.00 0.00 C ATOM 767 C PHE A 51 17.855 -0.868 1.149 1.00 0.00 C ATOM 768 O PHE A 51 17.064 -1.469 1.876 1.00 0.00 O ATOM 769 CB PHE A 51 19.310 -2.188 -0.401 1.00 0.00 C ATOM 770 CG PHE A 51 18.516 -3.462 -0.368 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.024 -4.594 0.250 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.262 -3.529 -0.953 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.296 -5.768 0.281 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.529 -4.700 -0.924 1.00 0.00 C ATOM 775 CZ PHE A 51 17.046 -5.821 -0.305 1.00 0.00 C ATOM 0 H PHE A 51 18.932 -2.741 2.493 1.00 0.00 H new ATOM 0 HA PHE A 51 19.950 -0.560 0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 51 18.934 -1.556 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.348 -2.422 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.999 -4.558 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 51 16.852 -2.655 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.704 -6.644 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.553 -4.739 -1.385 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.474 -6.737 -0.279 1.00 0.00 H new ATOM 785 N ASP A 52 17.550 0.267 0.530 1.00 0.00 N ATOM 786 CA ASP A 52 16.237 0.885 0.671 1.00 0.00 C ATOM 787 C ASP A 52 15.162 0.041 -0.007 1.00 0.00 C ATOM 788 O ASP A 52 15.317 -0.374 -1.156 1.00 0.00 O ATOM 789 CB ASP A 52 16.246 2.294 0.076 1.00 0.00 C ATOM 790 CG ASP A 52 16.954 2.353 -1.263 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.198 2.463 -1.273 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.264 2.286 -2.302 1.00 0.00 O ATOM 0 H ASP A 52 18.194 0.778 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 52 16.006 0.949 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.220 2.641 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.734 2.976 0.772 1.00 0.00 H new ATOM 797 N CYS A 53 14.074 -0.211 0.712 1.00 0.00 N ATOM 798 CA CYS A 53 12.974 -1.007 0.181 1.00 0.00 C ATOM 799 C CYS A 53 11.719 -0.156 0.010 1.00 0.00 C ATOM 800 O CYS A 53 11.521 0.827 0.723 1.00 0.00 O ATOM 801 CB CYS A 53 12.678 -2.189 1.107 1.00 0.00 C ATOM 802 SG CYS A 53 13.057 -3.816 0.381 1.00 0.00 S ATOM 0 H CYS A 53 13.930 0.125 1.664 1.00 0.00 H new ATOM 0 HA CYS A 53 13.272 -1.385 -0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.253 -2.070 2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.624 -2.164 1.385 1.00 0.00 H new ATOM 807 N SER A 54 10.875 -0.541 -0.942 1.00 0.00 N ATOM 808 CA SER A 54 9.641 0.189 -1.210 1.00 0.00 C ATOM 809 C SER A 54 9.903 1.690 -1.289 1.00 0.00 C ATOM 810 O SER A 54 9.134 2.495 -0.764 1.00 0.00 O ATOM 811 CB SER A 54 8.604 -0.103 -0.124 1.00 0.00 C ATOM 812 OG SER A 54 8.354 -1.494 -0.018 1.00 0.00 O ATOM 0 H SER A 54 11.023 -1.354 -1.540 1.00 0.00 H new ATOM 0 HA SER A 54 9.253 -0.145 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.958 0.280 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.676 0.420 -0.353 1.00 0.00 H new ATOM 0 HG SER A 54 7.689 -1.654 0.684 1.00 0.00 H new ATOM 818 N LYS A 55 10.996 2.059 -1.948 1.00 0.00 N ATOM 819 CA LYS A 55 11.362 3.463 -2.098 1.00 0.00 C ATOM 820 C LYS A 55 11.726 4.077 -0.750 1.00 0.00 C ATOM 821 O LYS A 55 10.896 4.719 -0.106 1.00 0.00 O ATOM 822 CB LYS A 55 10.211 4.246 -2.734 1.00 0.00 C ATOM 823 CG LYS A 55 10.662 5.488 -3.483 1.00 0.00 C ATOM 824 CD LYS A 55 10.054 5.551 -4.874 1.00 0.00 C ATOM 825 CE LYS A 55 8.545 5.360 -4.832 1.00 0.00 C ATOM 826 NZ LYS A 55 7.897 5.785 -6.104 1.00 0.00 N ATOM 0 H LYS A 55 11.644 1.405 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 55 12.234 3.518 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.674 3.592 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.507 4.537 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.378 6.377 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.749 5.493 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.288 6.513 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.502 4.782 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.317 4.311 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.129 5.933 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.870 5.639 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.093 6.792 -6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.275 5.221 -6.892 1.00 0.00 H new ATOM 840 N SER A 56 12.971 3.877 -0.330 1.00 0.00 N ATOM 841 CA SER A 56 13.444 4.410 0.942 1.00 0.00 C ATOM 842 C SER A 56 14.708 5.242 0.747 1.00 0.00 C ATOM 843 O SER A 56 15.458 5.062 -0.212 1.00 0.00 O ATOM 844 CB SER A 56 13.716 3.270 1.926 1.00 0.00 C ATOM 845 OG SER A 56 12.984 3.447 3.127 1.00 0.00 O ATOM 0 H SER A 56 13.671 3.350 -0.852 1.00 0.00 H new ATOM 0 HA SER A 56 12.666 5.055 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.446 2.318 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.782 3.225 2.149 1.00 0.00 H new ATOM 0 HG SER A 56 12.597 2.590 3.404 1.00 0.00 H new ATOM 851 N PRO A 57 14.950 6.175 1.679 1.00 0.00 N ATOM 852 CA PRO A 57 16.122 7.054 1.633 1.00 0.00 C ATOM 853 C PRO A 57 17.421 6.303 1.908 1.00 0.00 C ATOM 854 O PRO A 57 17.421 5.169 2.387 1.00 0.00 O ATOM 855 CB PRO A 57 15.848 8.070 2.745 1.00 0.00 C ATOM 856 CG PRO A 57 14.943 7.361 3.692 1.00 0.00 C ATOM 857 CD PRO A 57 14.098 6.445 2.850 1.00 0.00 C ATOM 0 HA PRO A 57 16.255 7.503 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.771 8.378 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.380 8.972 2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.514 6.797 4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.323 8.068 4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.845 5.528 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.158 6.916 2.563 1.00 0.00 H new ATOM 865 N PRO A 58 18.555 6.947 1.597 1.00 0.00 N ATOM 866 CA PRO A 58 19.882 6.359 1.803 1.00 0.00 C ATOM 867 C PRO A 58 20.240 6.238 3.281 1.00 0.00 C ATOM 868 O PRO A 58 21.003 7.042 3.812 1.00 0.00 O ATOM 869 CB PRO A 58 20.820 7.346 1.105 1.00 0.00 C ATOM 870 CG PRO A 58 20.090 8.645 1.130 1.00 0.00 C ATOM 871 CD PRO A 58 18.630 8.301 1.022 1.00 0.00 C ATOM 0 HA PRO A 58 19.942 5.343 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 58 21.776 7.419 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 58 21.035 7.033 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.295 9.191 2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.403 9.284 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.009 9.007 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.289 8.317 -0.013 1.00 0.00 H new ATOM 879 N GLY A 59 19.682 5.226 3.939 1.00 0.00 N ATOM 880 CA GLY A 59 19.955 5.018 5.349 1.00 0.00 C ATOM 881 C GLY A 59 18.889 4.181 6.029 1.00 0.00 C ATOM 882 O GLY A 59 18.550 3.095 5.559 1.00 0.00 O ATOM 0 H GLY A 59 19.046 4.547 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 59 20.923 4.529 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.027 5.984 5.848 1.00 0.00 H new ATOM 886 N ALA A 60 18.361 4.686 7.139 1.00 0.00 N ATOM 887 CA ALA A 60 17.328 3.978 7.884 1.00 0.00 C ATOM 888 C ALA A 60 17.811 2.598 8.317 1.00 0.00 C ATOM 889 O ALA A 60 18.961 2.227 8.076 1.00 0.00 O ATOM 890 CB ALA A 60 16.063 3.857 7.047 1.00 0.00 C ATOM 0 H ALA A 60 18.632 5.583 7.542 1.00 0.00 H new ATOM 0 HA ALA A 60 17.104 4.554 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 60 15.300 3.326 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.699 4.852 6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.283 3.306 6.133 1.00 0.00 H new ATOM 896 N THR A 61 16.927 1.841 8.959 1.00 0.00 N ATOM 897 CA THR A 61 17.265 0.503 9.428 1.00 0.00 C ATOM 898 C THR A 61 16.344 -0.544 8.812 1.00 0.00 C ATOM 899 O THR A 61 15.244 -0.242 8.346 1.00 0.00 O ATOM 900 CB THR A 61 17.178 0.407 10.963 1.00 0.00 C ATOM 901 OG1 THR A 61 16.385 1.483 11.477 1.00 0.00 O ATOM 902 CG2 THR A 61 18.565 0.449 11.586 1.00 0.00 C ATOM 0 H THR A 61 15.971 2.132 9.166 1.00 0.00 H new ATOM 0 HA THR A 61 18.291 0.309 9.117 1.00 0.00 H new ATOM 0 HB THR A 61 16.710 -0.543 11.220 1.00 0.00 H new ATOM 0 HG1 THR A 61 16.333 1.414 12.453 1.00 0.00 H new ATOM 0 HG21 THR A 61 18.479 0.380 12.670 1.00 0.00 H new ATOM 0 HG22 THR A 61 19.156 -0.388 11.215 1.00 0.00 H new ATOM 0 HG23 THR A 61 19.055 1.386 11.320 1.00 0.00 H new ATOM 910 N PRO A 62 16.800 -1.806 8.807 1.00 0.00 N ATOM 911 CA PRO A 62 16.031 -2.923 8.252 1.00 0.00 C ATOM 912 C PRO A 62 14.809 -3.264 9.099 1.00 0.00 C ATOM 913 O PRO A 62 14.891 -3.329 10.325 1.00 0.00 O ATOM 914 CB PRO A 62 17.030 -4.083 8.265 1.00 0.00 C ATOM 915 CG PRO A 62 17.996 -3.738 9.346 1.00 0.00 C ATOM 916 CD PRO A 62 18.101 -2.238 9.345 1.00 0.00 C ATOM 0 HA PRO A 62 15.636 -2.693 7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.533 -5.032 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.532 -4.184 7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 62 17.648 -4.104 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 62 18.967 -4.197 9.162 1.00 0.00 H new ATOM 0 HD2 PRO A 62 18.271 -1.846 10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.927 -1.893 8.724 1.00 0.00 H new ATOM 924 N ALA A 63 13.678 -3.481 8.437 1.00 0.00 N ATOM 925 CA ALA A 63 12.440 -3.818 9.129 1.00 0.00 C ATOM 926 C ALA A 63 11.999 -2.684 10.048 1.00 0.00 C ATOM 927 O ALA A 63 12.787 -1.815 10.424 1.00 0.00 O ATOM 928 CB ALA A 63 12.611 -5.106 9.920 1.00 0.00 C ATOM 0 H ALA A 63 13.593 -3.429 7.422 1.00 0.00 H new ATOM 0 HA ALA A 63 11.662 -3.966 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.679 -5.345 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.871 -5.918 9.241 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.406 -4.979 10.655 1.00 0.00 H new ATOM 934 N PRO A 64 10.711 -2.689 10.421 1.00 0.00 N ATOM 935 CA PRO A 64 10.137 -1.667 11.301 1.00 0.00 C ATOM 936 C PRO A 64 10.652 -1.779 12.732 1.00 0.00 C ATOM 937 O PRO A 64 11.281 -2.765 13.116 1.00 0.00 O ATOM 938 CB PRO A 64 8.635 -1.958 11.250 1.00 0.00 C ATOM 939 CG PRO A 64 8.540 -3.404 10.905 1.00 0.00 C ATOM 940 CD PRO A 64 9.715 -3.694 10.012 1.00 0.00 C ATOM 0 HA PRO A 64 10.401 -0.659 10.981 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.158 -1.747 12.207 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.137 -1.339 10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.570 -4.022 11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.601 -3.623 10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.087 -4.709 10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.453 -3.595 8.959 1.00 0.00 H new ATOM 948 N PRO A 65 10.382 -0.744 13.541 1.00 0.00 N ATOM 949 CA PRO A 65 10.809 -0.703 14.943 1.00 0.00 C ATOM 950 C PRO A 65 10.053 -1.705 15.809 1.00 0.00 C ATOM 951 O PRO A 65 8.842 -1.592 15.993 1.00 0.00 O ATOM 952 CB PRO A 65 10.480 0.729 15.372 1.00 0.00 C ATOM 953 CG PRO A 65 9.380 1.154 14.462 1.00 0.00 C ATOM 954 CD PRO A 65 9.637 0.465 13.151 1.00 0.00 C ATOM 0 HA PRO A 65 11.861 -0.966 15.056 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.168 0.768 16.416 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.348 1.381 15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.408 0.872 14.867 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.372 2.237 14.339 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.708 0.216 12.639 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.216 1.093 12.474 1.00 0.00 H new ATOM 962 N GLY A 66 10.777 -2.685 16.340 1.00 0.00 N ATOM 963 CA GLY A 66 10.157 -3.693 17.181 1.00 0.00 C ATOM 964 C GLY A 66 10.394 -3.442 18.657 1.00 0.00 C ATOM 965 O GLY A 66 9.458 -3.155 19.403 1.00 0.00 O ATOM 0 H GLY A 66 11.781 -2.799 16.203 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.085 -3.714 16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.549 -4.675 16.915 1.00 0.00 H new ATOM 969 N ALA A 67 11.649 -3.551 19.081 1.00 0.00 N ATOM 970 CA ALA A 67 12.005 -3.334 20.477 1.00 0.00 C ATOM 971 C ALA A 67 13.509 -3.479 20.689 1.00 0.00 C ATOM 972 O ALA A 67 14.099 -2.780 21.512 1.00 0.00 O ATOM 973 CB ALA A 67 11.248 -4.303 21.373 1.00 0.00 C ATOM 0 H ALA A 67 12.436 -3.788 18.477 1.00 0.00 H new ATOM 0 HA ALA A 67 11.723 -2.315 20.743 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.524 -4.129 22.413 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.176 -4.149 21.252 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.501 -5.327 21.097 1.00 0.00 H new ATOM 979 N ALA A 68 14.121 -4.391 19.942 1.00 0.00 N ATOM 980 CA ALA A 68 15.556 -4.627 20.048 1.00 0.00 C ATOM 981 C ALA A 68 16.220 -4.593 18.676 1.00 0.00 C ATOM 982 O ALA A 68 16.602 -5.622 18.118 1.00 0.00 O ATOM 983 CB ALA A 68 15.823 -5.959 20.732 1.00 0.00 C ATOM 0 H ALA A 68 13.646 -4.979 19.257 1.00 0.00 H new ATOM 0 HA ALA A 68 15.987 -3.828 20.652 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.898 -6.122 20.804 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.390 -5.948 21.732 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.372 -6.763 20.151 1.00 0.00 H new ATOM 989 N PRO A 69 16.362 -3.382 18.116 1.00 0.00 N ATOM 990 CA PRO A 69 16.980 -3.185 16.802 1.00 0.00 C ATOM 991 C PRO A 69 18.480 -3.460 16.820 1.00 0.00 C ATOM 992 O PRO A 69 19.099 -3.589 17.876 1.00 0.00 O ATOM 993 CB PRO A 69 16.711 -1.708 16.501 1.00 0.00 C ATOM 994 CG PRO A 69 16.557 -1.071 17.839 1.00 0.00 C ATOM 995 CD PRO A 69 15.929 -2.112 18.724 1.00 0.00 C ATOM 0 HA PRO A 69 16.575 -3.867 16.055 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.534 -1.262 15.942 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.812 -1.584 15.898 1.00 0.00 H new ATOM 0 HG2 PRO A 69 17.522 -0.754 18.234 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.930 -0.181 17.778 1.00 0.00 H new ATOM 0 HD2 PRO A 69 16.271 -2.023 19.755 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.843 -2.024 18.740 1.00 0.00 H new ATOM 1003 N PRO A 70 19.080 -3.552 15.623 1.00 0.00 N ATOM 1004 CA PRO A 70 20.515 -3.811 15.475 1.00 0.00 C ATOM 1005 C PRO A 70 21.367 -2.628 15.921 1.00 0.00 C ATOM 1006 O PRO A 70 20.871 -1.522 16.139 1.00 0.00 O ATOM 1007 CB PRO A 70 20.679 -4.052 13.973 1.00 0.00 C ATOM 1008 CG PRO A 70 19.542 -3.320 13.346 1.00 0.00 C ATOM 1009 CD PRO A 70 18.403 -3.409 14.323 1.00 0.00 C ATOM 0 HA PRO A 70 20.844 -4.646 16.093 1.00 0.00 H new ATOM 0 HB2 PRO A 70 21.637 -3.677 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 70 20.644 -5.115 13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 70 19.807 -2.281 13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 70 19.271 -3.766 12.389 1.00 0.00 H new ATOM 0 HD2 PRO A 70 17.776 -2.518 14.292 1.00 0.00 H new ATOM 0 HD3 PRO A 70 17.757 -4.261 14.110 1.00 0.00 H new ATOM 1017 N PRO A 71 22.680 -2.863 16.061 1.00 0.00 N ATOM 1018 CA PRO A 71 23.629 -1.827 16.482 1.00 0.00 C ATOM 1019 C PRO A 71 23.834 -0.760 15.412 1.00 0.00 C ATOM 1020 O PRO A 71 23.787 0.436 15.698 1.00 0.00 O ATOM 1021 CB PRO A 71 24.925 -2.607 16.714 1.00 0.00 C ATOM 1022 CG PRO A 71 24.803 -3.812 15.846 1.00 0.00 C ATOM 1023 CD PRO A 71 23.340 -4.157 15.819 1.00 0.00 C ATOM 0 HA PRO A 71 23.278 -1.285 17.360 1.00 0.00 H new ATOM 0 HB2 PRO A 71 25.798 -2.013 16.445 1.00 0.00 H new ATOM 0 HB3 PRO A 71 25.038 -2.884 17.762 1.00 0.00 H new ATOM 0 HG2 PRO A 71 25.174 -3.609 14.842 1.00 0.00 H new ATOM 0 HG3 PRO A 71 25.392 -4.639 16.242 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.046 -4.585 14.861 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.085 -4.888 16.586 1.00 0.00 H new ATOM 1031 N ALA A 72 24.061 -1.200 14.179 1.00 0.00 N ATOM 1032 CA ALA A 72 24.270 -0.282 13.066 1.00 0.00 C ATOM 1033 C ALA A 72 24.458 -1.041 11.757 1.00 0.00 C ATOM 1034 O ALA A 72 24.258 -2.254 11.697 1.00 0.00 O ATOM 1035 CB ALA A 72 25.472 0.611 13.338 1.00 0.00 C ATOM 0 H ALA A 72 24.105 -2.187 13.925 1.00 0.00 H new ATOM 0 HA ALA A 72 23.382 0.342 12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.617 1.292 12.499 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.299 1.187 14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 72 26.362 -0.005 13.463 1.00 0.00 H new ATOM 1041 N ALA A 73 24.843 -0.318 10.710 1.00 0.00 N ATOM 1042 CA ALA A 73 25.059 -0.924 9.402 1.00 0.00 C ATOM 1043 C ALA A 73 25.991 -0.069 8.548 1.00 0.00 C ATOM 1044 O ALA A 73 25.781 1.134 8.398 1.00 0.00 O ATOM 1045 CB ALA A 73 23.731 -1.132 8.690 1.00 0.00 C ATOM 0 H ALA A 73 25.012 0.687 10.742 1.00 0.00 H new ATOM 0 HA ALA A 73 25.533 -1.894 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 73 23.908 -1.585 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 73 23.098 -1.789 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.234 -0.171 8.559 1.00 0.00 H new ATOM 1051 N GLY A 74 27.021 -0.699 7.992 1.00 0.00 N ATOM 1052 CA GLY A 74 27.969 0.019 7.161 1.00 0.00 C ATOM 1053 C GLY A 74 29.369 -0.555 7.249 1.00 0.00 C ATOM 1054 O GLY A 74 29.847 -0.881 8.335 1.00 0.00 O ATOM 0 H GLY A 74 27.216 -1.694 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 74 27.633 -0.009 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 74 27.990 1.067 7.461 1.00 0.00 H new ATOM 1058 N GLY A 75 30.029 -0.682 6.102 1.00 0.00 N ATOM 1059 CA GLY A 75 31.375 -1.223 6.076 1.00 0.00 C ATOM 1060 C GLY A 75 31.808 -1.632 4.682 1.00 0.00 C ATOM 1061 O GLY A 75 30.979 -1.779 3.785 1.00 0.00 O ATOM 0 H GLY A 75 29.655 -0.420 5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 75 32.070 -0.479 6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 75 31.429 -2.087 6.738 1.00 0.00 H new ATOM 1065 N SER A 76 33.112 -1.815 4.499 1.00 0.00 N ATOM 1066 CA SER A 76 33.655 -2.204 3.203 1.00 0.00 C ATOM 1067 C SER A 76 33.385 -1.129 2.155 1.00 0.00 C ATOM 1068 O SER A 76 32.507 -0.280 2.312 1.00 0.00 O ATOM 1069 CB SER A 76 33.050 -3.535 2.752 1.00 0.00 C ATOM 1070 OG SER A 76 32.454 -4.219 3.840 1.00 0.00 O ATOM 0 H SER A 76 33.812 -1.700 5.232 1.00 0.00 H new ATOM 0 HA SER A 76 34.734 -2.320 3.309 1.00 0.00 H new ATOM 0 HB2 SER A 76 32.303 -3.355 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 76 33.826 -4.159 2.307 1.00 0.00 H new ATOM 0 HG SER A 76 31.484 -4.083 3.820 1.00 0.00 H new ATOM 1076 N PRO A 77 34.157 -1.164 1.060 1.00 0.00 N ATOM 1077 CA PRO A 77 34.021 -0.200 -0.036 1.00 0.00 C ATOM 1078 C PRO A 77 32.729 -0.395 -0.822 1.00 0.00 C ATOM 1079 O PRO A 77 32.078 -1.434 -0.717 1.00 0.00 O ATOM 1080 CB PRO A 77 35.234 -0.495 -0.922 1.00 0.00 C ATOM 1081 CG PRO A 77 35.572 -1.918 -0.639 1.00 0.00 C ATOM 1082 CD PRO A 77 35.224 -2.147 0.806 1.00 0.00 C ATOM 0 HA PRO A 77 33.981 0.827 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 77 35.000 -0.346 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 77 36.068 0.165 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 77 35.009 -2.589 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 77 36.629 -2.112 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 77 34.881 -3.167 0.980 1.00 0.00 H new ATOM 0 HD3 PRO A 77 36.083 -1.985 1.457 1.00 0.00 H new ATOM 1090 N SER A 78 32.363 0.612 -1.609 1.00 0.00 N ATOM 1091 CA SER A 78 31.146 0.552 -2.410 1.00 0.00 C ATOM 1092 C SER A 78 31.118 1.678 -3.440 1.00 0.00 C ATOM 1093 O SER A 78 31.821 2.681 -3.320 1.00 0.00 O ATOM 1094 CB SER A 78 29.912 0.639 -1.510 1.00 0.00 C ATOM 1095 OG SER A 78 29.338 1.934 -1.554 1.00 0.00 O ATOM 0 H SER A 78 32.892 1.479 -1.709 1.00 0.00 H new ATOM 0 HA SER A 78 31.135 -0.402 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 78 29.175 -0.100 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 78 30.188 0.395 -0.484 1.00 0.00 H new ATOM 0 HG SER A 78 28.550 1.963 -0.972 1.00 0.00 H new ATOM 1101 N PRO A 79 30.285 1.508 -4.478 1.00 0.00 N ATOM 1102 CA PRO A 79 30.144 2.498 -5.550 1.00 0.00 C ATOM 1103 C PRO A 79 29.451 3.771 -5.076 1.00 0.00 C ATOM 1104 O PRO A 79 28.876 3.825 -3.988 1.00 0.00 O ATOM 1105 CB PRO A 79 29.284 1.776 -6.589 1.00 0.00 C ATOM 1106 CG PRO A 79 28.515 0.766 -5.809 1.00 0.00 C ATOM 1107 CD PRO A 79 29.418 0.337 -4.686 1.00 0.00 C ATOM 0 HA PRO A 79 31.111 2.826 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 79 28.619 2.470 -7.103 1.00 0.00 H new ATOM 0 HB3 PRO A 79 29.901 1.301 -7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 79 27.589 1.193 -5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 79 28.239 -0.083 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 79 28.852 0.091 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 79 29.996 -0.549 -4.951 1.00 0.00 H new ATOM 1115 N PRO A 80 29.503 4.820 -5.909 1.00 0.00 N ATOM 1116 CA PRO A 80 28.884 6.112 -5.596 1.00 0.00 C ATOM 1117 C PRO A 80 27.361 6.045 -5.620 1.00 0.00 C ATOM 1118 O PRO A 80 26.779 4.968 -5.753 1.00 0.00 O ATOM 1119 CB PRO A 80 29.396 7.029 -6.709 1.00 0.00 C ATOM 1120 CG PRO A 80 29.705 6.114 -7.843 1.00 0.00 C ATOM 1121 CD PRO A 80 30.171 4.827 -7.222 1.00 0.00 C ATOM 0 HA PRO A 80 29.138 6.454 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 80 28.645 7.768 -6.990 1.00 0.00 H new ATOM 0 HB3 PRO A 80 30.282 7.579 -6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 80 28.824 5.951 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 80 30.475 6.538 -8.487 1.00 0.00 H new ATOM 0 HD2 PRO A 80 29.885 3.964 -7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 80 31.256 4.799 -7.121 1.00 0.00 H new ATOM 1129 N ALA A 81 26.720 7.202 -5.490 1.00 0.00 N ATOM 1130 CA ALA A 81 25.265 7.275 -5.499 1.00 0.00 C ATOM 1131 C ALA A 81 24.711 7.020 -6.897 1.00 0.00 C ATOM 1132 O ALA A 81 25.112 7.671 -7.862 1.00 0.00 O ATOM 1133 CB ALA A 81 24.800 8.629 -4.984 1.00 0.00 C ATOM 0 H ALA A 81 27.186 8.102 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 81 24.884 6.497 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 81 23.711 8.669 -4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 81 25.157 8.772 -3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 81 25.199 9.418 -5.622 1.00 0.00 H new ATOM 1139 N ASP A 82 23.788 6.070 -6.999 1.00 0.00 N ATOM 1140 CA ASP A 82 23.179 5.730 -8.280 1.00 0.00 C ATOM 1141 C ASP A 82 21.749 5.234 -8.087 1.00 0.00 C ATOM 1142 O ASP A 82 20.790 5.939 -8.396 1.00 0.00 O ATOM 1143 CB ASP A 82 24.010 4.664 -8.997 1.00 0.00 C ATOM 1144 CG ASP A 82 25.079 5.266 -9.887 1.00 0.00 C ATOM 1145 OD1 ASP A 82 24.789 6.274 -10.564 1.00 0.00 O ATOM 1146 OD2 ASP A 82 26.206 4.728 -9.908 1.00 0.00 O ATOM 0 H ASP A 82 23.445 5.522 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 82 23.152 6.631 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 82 24.480 4.015 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 82 23.351 4.037 -9.598 1.00 0.00 H new ATOM 1151 N GLY A 83 21.615 4.015 -7.574 1.00 0.00 N ATOM 1152 CA GLY A 83 20.300 3.445 -7.350 1.00 0.00 C ATOM 1153 C GLY A 83 20.272 1.945 -7.571 1.00 0.00 C ATOM 1154 O GLY A 83 21.221 1.242 -7.227 1.00 0.00 O ATOM 0 H GLY A 83 22.394 3.412 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.981 3.665 -6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.583 3.921 -8.018 1.00 0.00 H new ATOM 1158 N GLY A 84 19.179 1.453 -8.146 1.00 0.00 N ATOM 1159 CA GLY A 84 19.051 0.031 -8.401 1.00 0.00 C ATOM 1160 C GLY A 84 17.613 -0.390 -8.631 1.00 0.00 C ATOM 1161 O GLY A 84 17.191 -0.582 -9.771 1.00 0.00 O ATOM 0 H GLY A 84 18.380 2.015 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.648 -0.234 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.458 -0.525 -7.556 1.00 0.00 H new ATOM 1165 N SER A 85 16.859 -0.535 -7.546 1.00 0.00 N ATOM 1166 CA SER A 85 15.462 -0.942 -7.635 1.00 0.00 C ATOM 1167 C SER A 85 15.339 -2.339 -8.236 1.00 0.00 C ATOM 1168 O SER A 85 14.867 -2.521 -9.358 1.00 0.00 O ATOM 1169 CB SER A 85 14.670 0.059 -8.478 1.00 0.00 C ATOM 1170 OG SER A 85 14.976 1.393 -8.108 1.00 0.00 O ATOM 0 H SER A 85 17.192 -0.377 -6.595 1.00 0.00 H new ATOM 0 HA SER A 85 15.051 -0.963 -6.626 1.00 0.00 H new ATOM 0 HB2 SER A 85 14.897 -0.090 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.602 -0.120 -8.353 1.00 0.00 H new ATOM 0 HG SER A 85 14.458 2.013 -8.663 1.00 0.00 H new ATOM 1176 N PRO A 86 15.776 -3.351 -7.472 1.00 0.00 N ATOM 1177 CA PRO A 86 15.725 -4.750 -7.907 1.00 0.00 C ATOM 1178 C PRO A 86 14.299 -5.286 -7.973 1.00 0.00 C ATOM 1179 O PRO A 86 13.355 -4.669 -7.479 1.00 0.00 O ATOM 1180 CB PRO A 86 16.523 -5.486 -6.827 1.00 0.00 C ATOM 1181 CG PRO A 86 16.410 -4.623 -5.618 1.00 0.00 C ATOM 1182 CD PRO A 86 16.351 -3.208 -6.124 1.00 0.00 C ATOM 0 HA PRO A 86 16.123 -4.878 -8.914 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.116 -6.480 -6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 86 17.564 -5.617 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.517 -4.870 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.264 -4.765 -4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.729 -2.579 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 86 17.340 -2.751 -6.155 1.00 0.00 H new ATOM 1190 N PRO A 87 14.136 -6.461 -8.599 1.00 0.00 N ATOM 1191 CA PRO A 87 12.828 -7.106 -8.743 1.00 0.00 C ATOM 1192 C PRO A 87 12.288 -7.626 -7.416 1.00 0.00 C ATOM 1193 O PRO A 87 13.000 -7.698 -6.414 1.00 0.00 O ATOM 1194 CB PRO A 87 13.109 -8.269 -9.698 1.00 0.00 C ATOM 1195 CG PRO A 87 14.557 -8.568 -9.514 1.00 0.00 C ATOM 1196 CD PRO A 87 15.217 -7.251 -9.212 1.00 0.00 C ATOM 0 HA PRO A 87 12.070 -6.412 -9.106 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.492 -9.135 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.889 -7.996 -10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.709 -9.276 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.979 -9.019 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.062 -7.371 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.599 -6.776 -10.116 1.00 0.00 H new ATOM 1204 N PRO A 88 10.999 -7.998 -7.405 1.00 0.00 N ATOM 1205 CA PRO A 88 10.336 -8.520 -6.207 1.00 0.00 C ATOM 1206 C PRO A 88 10.841 -9.905 -5.820 1.00 0.00 C ATOM 1207 O PRO A 88 11.539 -10.573 -6.584 1.00 0.00 O ATOM 1208 CB PRO A 88 8.862 -8.582 -6.616 1.00 0.00 C ATOM 1209 CG PRO A 88 8.886 -8.711 -8.100 1.00 0.00 C ATOM 1210 CD PRO A 88 10.091 -7.940 -8.563 1.00 0.00 C ATOM 0 HA PRO A 88 10.524 -7.896 -5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.358 -9.430 -6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.327 -7.685 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.953 -9.757 -8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.973 -8.311 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.540 -8.390 -9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.835 -6.913 -8.822 1.00 0.00 H new ATOM 1218 N PRO A 89 10.481 -10.350 -4.607 1.00 0.00 N ATOM 1219 CA PRO A 89 10.886 -11.662 -4.093 1.00 0.00 C ATOM 1220 C PRO A 89 10.199 -12.809 -4.826 1.00 0.00 C ATOM 1221 O PRO A 89 9.503 -12.596 -5.817 1.00 0.00 O ATOM 1222 CB PRO A 89 10.443 -11.621 -2.628 1.00 0.00 C ATOM 1223 CG PRO A 89 9.325 -10.638 -2.598 1.00 0.00 C ATOM 1224 CD PRO A 89 9.651 -9.608 -3.644 1.00 0.00 C ATOM 0 HA PRO A 89 11.953 -11.840 -4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.116 -12.603 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 89 11.260 -11.312 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.373 -11.123 -2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.235 -10.179 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.750 -9.212 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.189 -8.760 -3.219 1.00 0.00 H new ATOM 1232 N ALA A 90 10.400 -14.026 -4.330 1.00 0.00 N ATOM 1233 CA ALA A 90 9.797 -15.207 -4.936 1.00 0.00 C ATOM 1234 C ALA A 90 8.940 -15.965 -3.928 1.00 0.00 C ATOM 1235 O ALA A 90 7.905 -16.530 -4.281 1.00 0.00 O ATOM 1236 CB ALA A 90 10.876 -16.117 -5.504 1.00 0.00 C ATOM 0 H ALA A 90 10.976 -14.220 -3.510 1.00 0.00 H new ATOM 0 HA ALA A 90 9.149 -14.878 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.412 -16.995 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.444 -15.578 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.546 -16.431 -4.703 1.00 0.00 H new ATOM 1242 N ASP A 91 9.378 -15.973 -2.674 1.00 0.00 N ATOM 1243 CA ASP A 91 8.650 -16.661 -1.614 1.00 0.00 C ATOM 1244 C ASP A 91 8.503 -18.146 -1.932 1.00 0.00 C ATOM 1245 O ASP A 91 8.965 -18.618 -2.970 1.00 0.00 O ATOM 1246 CB ASP A 91 7.270 -16.029 -1.421 1.00 0.00 C ATOM 1247 CG ASP A 91 6.835 -16.023 0.031 1.00 0.00 C ATOM 1248 OD1 ASP A 91 7.641 -15.608 0.890 1.00 0.00 O ATOM 1249 OD2 ASP A 91 5.689 -16.433 0.310 1.00 0.00 O ATOM 0 H ASP A 91 10.234 -15.511 -2.366 1.00 0.00 H new ATOM 0 HA ASP A 91 9.220 -16.560 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.286 -15.006 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.537 -16.575 -2.015 1.00 0.00 H new ATOM 1254 N GLY A 92 7.857 -18.878 -1.029 1.00 0.00 N ATOM 1255 CA GLY A 92 7.662 -20.302 -1.231 1.00 0.00 C ATOM 1256 C GLY A 92 6.580 -20.601 -2.249 1.00 0.00 C ATOM 1257 O GLY A 92 5.433 -20.187 -2.086 1.00 0.00 O ATOM 0 H GLY A 92 7.466 -18.510 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.599 -20.751 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.401 -20.768 -0.281 1.00 0.00 H new ATOM 1261 N GLY A 93 6.946 -21.321 -3.306 1.00 0.00 N ATOM 1262 CA GLY A 93 5.986 -21.660 -4.340 1.00 0.00 C ATOM 1263 C GLY A 93 6.582 -21.580 -5.732 1.00 0.00 C ATOM 1264 O GLY A 93 7.110 -22.566 -6.246 1.00 0.00 O ATOM 0 H GLY A 93 7.889 -21.675 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.610 -22.668 -4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.132 -20.986 -4.274 1.00 0.00 H new ATOM 1268 N SER A 94 6.495 -20.403 -6.344 1.00 0.00 N ATOM 1269 CA SER A 94 7.025 -20.200 -7.687 1.00 0.00 C ATOM 1270 C SER A 94 6.394 -21.177 -8.674 1.00 0.00 C ATOM 1271 O SER A 94 6.920 -22.259 -8.938 1.00 0.00 O ATOM 1272 CB SER A 94 8.545 -20.365 -7.689 1.00 0.00 C ATOM 1273 OG SER A 94 9.140 -19.630 -6.634 1.00 0.00 O ATOM 0 H SER A 94 6.063 -19.576 -5.931 1.00 0.00 H new ATOM 0 HA SER A 94 6.777 -19.185 -7.999 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.799 -21.420 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.949 -20.028 -8.644 1.00 0.00 H new ATOM 0 HG SER A 94 10.112 -19.754 -6.657 1.00 0.00 H new ATOM 1279 N PRO A 95 5.237 -20.790 -9.232 1.00 0.00 N ATOM 1280 CA PRO A 95 4.601 -19.505 -8.925 1.00 0.00 C ATOM 1281 C PRO A 95 4.045 -19.459 -7.506 1.00 0.00 C ATOM 1282 O PRO A 95 3.842 -20.487 -6.859 1.00 0.00 O ATOM 1283 CB PRO A 95 3.466 -19.418 -9.948 1.00 0.00 C ATOM 1284 CG PRO A 95 3.157 -20.834 -10.292 1.00 0.00 C ATOM 1285 CD PRO A 95 4.462 -21.575 -10.207 1.00 0.00 C ATOM 0 HA PRO A 95 5.307 -18.676 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.595 -18.913 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.770 -18.854 -10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.425 -21.253 -9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.730 -20.908 -11.292 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.320 -22.603 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.962 -21.621 -11.174 1.00 0.00 H new ATOM 1293 N PRO A 96 3.791 -18.240 -7.008 1.00 0.00 N ATOM 1294 CA PRO A 96 3.253 -18.031 -5.661 1.00 0.00 C ATOM 1295 C PRO A 96 1.804 -18.490 -5.537 1.00 0.00 C ATOM 1296 O PRO A 96 1.197 -18.931 -6.513 1.00 0.00 O ATOM 1297 CB PRO A 96 3.352 -16.515 -5.470 1.00 0.00 C ATOM 1298 CG PRO A 96 3.321 -15.957 -6.851 1.00 0.00 C ATOM 1299 CD PRO A 96 4.009 -16.971 -7.723 1.00 0.00 C ATOM 0 HA PRO A 96 3.798 -18.605 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.524 -16.136 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.271 -16.240 -4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.296 -15.790 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.831 -14.995 -6.895 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.581 -16.996 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.070 -16.750 -7.835 1.00 0.00 H new ATOM 1307 N VAL A 97 1.255 -18.383 -4.331 1.00 0.00 N ATOM 1308 CA VAL A 97 -0.124 -18.786 -4.081 1.00 0.00 C ATOM 1309 C VAL A 97 -0.765 -17.913 -3.008 1.00 0.00 C ATOM 1310 O VAL A 97 -0.250 -17.801 -1.895 1.00 0.00 O ATOM 1311 CB VAL A 97 -0.207 -20.261 -3.644 1.00 0.00 C ATOM 1312 CG1 VAL A 97 0.665 -20.506 -2.422 1.00 0.00 C ATOM 1313 CG2 VAL A 97 -1.650 -20.654 -3.368 1.00 0.00 C ATOM 0 H VAL A 97 1.744 -18.021 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.666 -18.661 -5.019 1.00 0.00 H new ATOM 0 HB VAL A 97 0.166 -20.884 -4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.593 -21.553 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.701 -20.266 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.326 -19.875 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.690 -21.699 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.052 -20.026 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.243 -20.519 -4.272 1.00 0.00 H new ATOM 1323 N ASP A 98 -1.891 -17.298 -3.349 1.00 0.00 N ATOM 1324 CA ASP A 98 -2.605 -16.435 -2.415 1.00 0.00 C ATOM 1325 C ASP A 98 -1.763 -15.217 -2.048 1.00 0.00 C ATOM 1326 O ASP A 98 -0.770 -15.329 -1.330 1.00 0.00 O ATOM 1327 CB ASP A 98 -2.977 -17.213 -1.152 1.00 0.00 C ATOM 1328 CG ASP A 98 -4.442 -17.601 -1.120 1.00 0.00 C ATOM 1329 OD1 ASP A 98 -4.856 -18.428 -1.960 1.00 0.00 O ATOM 1330 OD2 ASP A 98 -5.175 -17.077 -0.255 1.00 0.00 O ATOM 0 H ASP A 98 -2.330 -17.381 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.517 -16.090 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.365 -18.113 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.745 -16.608 -0.275 1.00 0.00 H new ATOM 1335 N GLY A 99 -2.167 -14.053 -2.548 1.00 0.00 N ATOM 1336 CA GLY A 99 -1.437 -12.831 -2.263 1.00 0.00 C ATOM 1337 C GLY A 99 -0.534 -12.415 -3.406 1.00 0.00 C ATOM 1338 O GLY A 99 -0.656 -12.923 -4.520 1.00 0.00 O ATOM 0 H GLY A 99 -2.986 -13.934 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.145 -12.029 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.838 -12.971 -1.363 1.00 0.00 H new ATOM 1342 N GLY A 100 0.376 -11.485 -3.131 1.00 0.00 N ATOM 1343 CA GLY A 100 1.290 -11.015 -4.156 1.00 0.00 C ATOM 1344 C GLY A 100 2.722 -11.438 -3.895 1.00 0.00 C ATOM 1345 O GLY A 100 3.659 -10.847 -4.432 1.00 0.00 O ATOM 0 H GLY A 100 0.496 -11.049 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.972 -11.399 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.240 -9.928 -4.212 1.00 0.00 H new ATOM 1349 N SER A 101 2.893 -12.462 -3.065 1.00 0.00 N ATOM 1350 CA SER A 101 4.222 -12.959 -2.728 1.00 0.00 C ATOM 1351 C SER A 101 5.101 -11.836 -2.186 1.00 0.00 C ATOM 1352 O SER A 101 6.068 -11.410 -2.818 1.00 0.00 O ATOM 1353 CB SER A 101 4.880 -13.590 -3.957 1.00 0.00 C ATOM 1354 OG SER A 101 6.037 -14.324 -3.595 1.00 0.00 O ATOM 0 H SER A 101 2.128 -12.964 -2.614 1.00 0.00 H new ATOM 0 HA SER A 101 4.114 -13.718 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.169 -14.248 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.148 -12.811 -4.670 1.00 0.00 H new ATOM 0 HG SER A 101 6.190 -15.038 -4.249 1.00 0.00 H new ATOM 1360 N PRO A 102 4.758 -11.345 -0.986 1.00 0.00 N ATOM 1361 CA PRO A 102 5.503 -10.265 -0.331 1.00 0.00 C ATOM 1362 C PRO A 102 6.883 -10.714 0.138 1.00 0.00 C ATOM 1363 O PRO A 102 7.203 -11.903 0.153 1.00 0.00 O ATOM 1364 CB PRO A 102 4.623 -9.903 0.868 1.00 0.00 C ATOM 1365 CG PRO A 102 3.845 -11.141 1.154 1.00 0.00 C ATOM 1366 CD PRO A 102 3.618 -11.805 -0.176 1.00 0.00 C ATOM 0 HA PRO A 102 5.690 -9.431 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.226 -9.607 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.964 -9.066 0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.392 -11.798 1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 102 2.898 -10.903 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.602 -12.891 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.666 -11.508 -0.616 1.00 0.00 H new ATOM 1374 N PRO A 103 7.720 -9.743 0.531 1.00 0.00 N ATOM 1375 CA PRO A 103 7.350 -8.325 0.517 1.00 0.00 C ATOM 1376 C PRO A 103 7.219 -7.774 -0.898 1.00 0.00 C ATOM 1377 O PRO A 103 7.623 -8.404 -1.876 1.00 0.00 O ATOM 1378 CB PRO A 103 8.511 -7.648 1.249 1.00 0.00 C ATOM 1379 CG PRO A 103 9.668 -8.566 1.055 1.00 0.00 C ATOM 1380 CD PRO A 103 9.094 -9.955 1.019 1.00 0.00 C ATOM 0 HA PRO A 103 6.378 -8.153 0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.716 -6.660 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.287 -7.512 2.307 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.196 -8.338 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.388 -8.463 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.661 -10.607 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.103 -10.419 2.005 1.00 0.00 H new ATOM 1388 N PRO A 104 6.641 -6.569 -1.014 1.00 0.00 N ATOM 1389 CA PRO A 104 6.445 -5.906 -2.307 1.00 0.00 C ATOM 1390 C PRO A 104 7.759 -5.444 -2.927 1.00 0.00 C ATOM 1391 O PRO A 104 8.806 -5.425 -2.280 1.00 0.00 O ATOM 1392 CB PRO A 104 5.566 -4.702 -1.958 1.00 0.00 C ATOM 1393 CG PRO A 104 5.855 -4.425 -0.523 1.00 0.00 C ATOM 1394 CD PRO A 104 6.136 -5.760 0.108 1.00 0.00 C ATOM 0 HA PRO A 104 6.003 -6.575 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.806 -3.842 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.510 -4.924 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.710 -3.757 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.008 -3.936 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.872 -5.679 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.237 -6.195 0.544 1.00 0.00 H new ATOM 1402 N PRO A 105 7.706 -5.061 -4.211 1.00 0.00 N ATOM 1403 CA PRO A 105 8.884 -4.591 -4.947 1.00 0.00 C ATOM 1404 C PRO A 105 9.366 -3.229 -4.459 1.00 0.00 C ATOM 1405 O PRO A 105 8.891 -2.718 -3.445 1.00 0.00 O ATOM 1406 CB PRO A 105 8.386 -4.496 -6.391 1.00 0.00 C ATOM 1407 CG PRO A 105 6.914 -4.298 -6.272 1.00 0.00 C ATOM 1408 CD PRO A 105 6.492 -5.057 -5.045 1.00 0.00 C ATOM 0 HA PRO A 105 9.737 -5.257 -4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 105 8.856 -3.665 -6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.620 -5.402 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 105 6.669 -3.240 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.398 -4.669 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.658 -4.570 -4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.169 -6.069 -5.290 1.00 0.00 H new ATOM 1416 N SER A 106 10.313 -2.646 -5.187 1.00 0.00 N ATOM 1417 CA SER A 106 10.862 -1.344 -4.827 1.00 0.00 C ATOM 1418 C SER A 106 10.081 -0.220 -5.500 1.00 0.00 C ATOM 1419 O SER A 106 10.658 0.644 -6.162 1.00 0.00 O ATOM 1420 CB SER A 106 12.338 -1.263 -5.221 1.00 0.00 C ATOM 1421 OG SER A 106 12.899 -0.018 -4.843 1.00 0.00 O ATOM 0 H SER A 106 10.716 -3.055 -6.030 1.00 0.00 H new ATOM 0 HA SER A 106 10.775 -1.226 -3.747 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.890 -2.074 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.438 -1.399 -6.298 1.00 0.00 H new ATOM 0 HG SER A 106 12.429 0.707 -5.306 1.00 0.00 H new ATOM 1427 N THR A 107 8.763 -0.237 -5.327 1.00 0.00 N ATOM 1428 CA THR A 107 7.901 0.779 -5.918 1.00 0.00 C ATOM 1429 C THR A 107 6.452 0.590 -5.485 1.00 0.00 C ATOM 1430 O THR A 107 5.724 1.561 -5.276 1.00 0.00 O ATOM 1431 CB THR A 107 7.973 0.751 -7.456 1.00 0.00 C ATOM 1432 OG1 THR A 107 7.041 1.688 -8.007 1.00 0.00 O ATOM 1433 CG2 THR A 107 7.672 -0.643 -7.987 1.00 0.00 C ATOM 0 H THR A 107 8.269 -0.944 -4.782 1.00 0.00 H new ATOM 0 HA THR A 107 8.261 1.745 -5.562 1.00 0.00 H new ATOM 0 HB THR A 107 8.984 1.026 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.094 1.665 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.729 -0.638 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 107 8.401 -1.349 -7.589 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.671 -0.942 -7.677 1.00 0.00 H new ATOM 1441 N HIS A 108 6.038 -0.666 -5.350 1.00 0.00 N ATOM 1442 CA HIS A 108 4.674 -0.982 -4.940 1.00 0.00 C ATOM 1443 C HIS A 108 3.665 -0.450 -5.953 1.00 0.00 C ATOM 1444 O HIS A 108 3.839 -0.615 -7.161 1.00 0.00 O ATOM 1445 CB HIS A 108 4.386 -0.393 -3.558 1.00 0.00 C ATOM 1446 CG HIS A 108 3.155 -0.953 -2.914 1.00 0.00 C ATOM 1447 ND1 HIS A 108 3.128 -1.407 -1.612 1.00 0.00 N ATOM 1448 CD2 HIS A 108 1.904 -1.131 -3.399 1.00 0.00 C ATOM 1449 CE1 HIS A 108 1.913 -1.840 -1.325 1.00 0.00 C ATOM 1450 NE2 HIS A 108 1.151 -1.683 -2.392 1.00 0.00 N ATOM 0 H HIS A 108 6.627 -1.481 -5.518 1.00 0.00 H new ATOM 0 HA HIS A 108 4.577 -2.067 -4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 108 5.242 -0.576 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.280 0.688 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 108 1.562 -0.885 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 108 1.597 -2.252 -0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 108 0.164 -1.931 -2.458 1.00 0.00 H new TER 1458 HIS A 108