USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 HIS :FLIP no HD1:sc= -3.22! C(o=-6!,f=-3.1!) USER MOD Set 1.2: A 27 TYR OH : rot 58:sc= 0.121 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.98! C(o=-7!,f=-7.3!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -120:sc= -2.47! USER MOD Single : A 13 MET CE :methyl 140:sc= -0.328 (180deg=-2.17) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 149:sc= -4.59! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 156:sc=-0.00905 (180deg=-0.847) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 157:sc= -0.179 (180deg=-1.57!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.61) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.15! C(o=-2.2!,f=-6.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.7!) USER MOD Single : A 61 MET CE :methyl -173:sc= -9.47! (180deg=-9.73!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1 F(o=-3.1!,f=-1) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 140:sc= -2.59! USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.786 13.058 1.977 1.00 0.00 N ATOM 31 CA PRO A 3 66.830 11.647 1.527 1.00 0.00 C ATOM 32 C PRO A 3 65.682 11.364 0.556 1.00 0.00 C ATOM 33 O PRO A 3 65.749 10.465 -0.257 1.00 0.00 O ATOM 34 CB PRO A 3 66.652 10.871 2.835 1.00 0.00 C ATOM 35 CG PRO A 3 66.509 11.876 3.994 1.00 0.00 C ATOM 36 CD PRO A 3 66.601 13.298 3.427 1.00 0.00 C ATOM 0 HA PRO A 3 67.743 11.382 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.770 10.233 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.508 10.218 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.555 11.733 4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 3 67.292 11.713 4.734 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.698 13.874 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.436 13.852 3.856 1.00 0.00 H new ATOM 44 N GLU A 4 64.629 12.130 0.634 1.00 0.00 N ATOM 45 CA GLU A 4 63.479 11.910 -0.287 1.00 0.00 C ATOM 46 C GLU A 4 63.844 12.380 -1.695 1.00 0.00 C ATOM 47 O GLU A 4 63.391 11.832 -2.681 1.00 0.00 O ATOM 48 CB GLU A 4 62.345 12.760 0.285 1.00 0.00 C ATOM 49 CG GLU A 4 61.138 11.871 0.588 1.00 0.00 C ATOM 50 CD GLU A 4 59.859 12.707 0.522 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.731 13.622 1.320 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.030 12.421 -0.325 1.00 0.00 O ATOM 0 H GLU A 4 64.515 12.898 1.295 1.00 0.00 H new ATOM 0 HA GLU A 4 63.200 10.859 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.677 13.262 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.067 13.538 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.087 11.052 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.242 11.423 1.576 1.00 0.00 H new ATOM 59 N VAL A 5 64.664 13.391 -1.796 1.00 0.00 N ATOM 60 CA VAL A 5 65.063 13.893 -3.139 1.00 0.00 C ATOM 61 C VAL A 5 66.000 12.894 -3.814 1.00 0.00 C ATOM 62 O VAL A 5 65.846 12.570 -4.975 1.00 0.00 O ATOM 63 CB VAL A 5 65.787 15.212 -2.880 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.184 15.846 -4.215 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.858 16.162 -2.121 1.00 0.00 C ATOM 0 H VAL A 5 65.074 13.890 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 5 64.205 14.027 -3.798 1.00 0.00 H new ATOM 0 HB VAL A 5 66.682 15.026 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.701 16.788 -4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.845 15.169 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.290 16.033 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.374 17.104 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.964 16.349 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.574 15.711 -1.170 1.00 0.00 H new ATOM 75 N LEU A 6 66.967 12.399 -3.096 1.00 0.00 N ATOM 76 CA LEU A 6 67.907 11.416 -3.703 1.00 0.00 C ATOM 77 C LEU A 6 67.167 10.103 -3.970 1.00 0.00 C ATOM 78 O LEU A 6 67.460 9.390 -4.909 1.00 0.00 O ATOM 79 CB LEU A 6 69.025 11.230 -2.669 1.00 0.00 C ATOM 80 CG LEU A 6 68.590 10.231 -1.594 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.829 8.808 -2.098 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.409 10.465 -0.322 1.00 0.00 C ATOM 0 H LEU A 6 67.148 12.631 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 6 68.313 11.752 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.930 10.874 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.268 12.188 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 6 67.531 10.367 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.520 8.095 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.249 8.641 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.889 8.672 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 6 69.101 9.755 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.468 10.327 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.242 11.481 0.036 1.00 0.00 H new ATOM 94 N ALA A 7 66.198 9.788 -3.156 1.00 0.00 N ATOM 95 CA ALA A 7 65.426 8.534 -3.368 1.00 0.00 C ATOM 96 C ALA A 7 64.762 8.568 -4.743 1.00 0.00 C ATOM 97 O ALA A 7 64.955 7.692 -5.562 1.00 0.00 O ATOM 98 CB ALA A 7 64.370 8.530 -2.263 1.00 0.00 C ATOM 0 H ALA A 7 65.908 10.346 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 7 66.053 7.643 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.756 7.633 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.861 8.541 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.738 9.413 -2.360 1.00 0.00 H new ATOM 104 N LYS A 8 63.983 9.582 -5.005 1.00 0.00 N ATOM 105 CA LYS A 8 63.307 9.683 -6.328 1.00 0.00 C ATOM 106 C LYS A 8 64.340 9.620 -7.456 1.00 0.00 C ATOM 107 O LYS A 8 64.138 8.967 -8.461 1.00 0.00 O ATOM 108 CB LYS A 8 62.618 11.047 -6.314 1.00 0.00 C ATOM 109 CG LYS A 8 61.294 10.945 -5.557 1.00 0.00 C ATOM 110 CD LYS A 8 60.133 11.140 -6.533 1.00 0.00 C ATOM 111 CE LYS A 8 58.854 11.457 -5.752 1.00 0.00 C ATOM 112 NZ LYS A 8 58.797 12.946 -5.687 1.00 0.00 N ATOM 0 H LYS A 8 63.786 10.346 -4.358 1.00 0.00 H new ATOM 0 HA LYS A 8 62.602 8.868 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.263 11.787 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 8 62.440 11.386 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.215 9.973 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.253 11.699 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 8 60.359 11.951 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 8 59.992 10.240 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 8 57.975 11.050 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 8 58.883 11.020 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 57.946 13.238 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.642 13.305 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.763 13.335 -6.651 1.00 0.00 H new ATOM 126 N ASN A 9 65.442 10.301 -7.300 1.00 0.00 N ATOM 127 CA ASN A 9 66.486 10.287 -8.368 1.00 0.00 C ATOM 128 C ASN A 9 66.983 8.860 -8.614 1.00 0.00 C ATOM 129 O ASN A 9 67.416 8.525 -9.699 1.00 0.00 O ATOM 130 CB ASN A 9 67.623 11.160 -7.833 1.00 0.00 C ATOM 131 CG ASN A 9 67.052 12.449 -7.236 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.708 13.113 -6.458 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.849 12.834 -7.566 1.00 0.00 N ATOM 0 H ASN A 9 65.666 10.866 -6.481 1.00 0.00 H new ATOM 0 HA ASN A 9 66.099 10.657 -9.317 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.186 10.615 -7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.320 11.398 -8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.461 13.691 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.297 12.278 -8.219 1.00 0.00 H new ATOM 140 N LYS A 10 66.927 8.015 -7.621 1.00 0.00 N ATOM 141 CA LYS A 10 67.402 6.615 -7.816 1.00 0.00 C ATOM 142 C LYS A 10 66.231 5.712 -8.213 1.00 0.00 C ATOM 143 O LYS A 10 66.418 4.619 -8.707 1.00 0.00 O ATOM 144 CB LYS A 10 67.975 6.193 -6.462 1.00 0.00 C ATOM 145 CG LYS A 10 69.110 7.142 -6.069 1.00 0.00 C ATOM 146 CD LYS A 10 70.226 7.071 -7.113 1.00 0.00 C ATOM 147 CE LYS A 10 71.325 8.074 -6.754 1.00 0.00 C ATOM 148 NZ LYS A 10 72.311 7.981 -7.866 1.00 0.00 N ATOM 0 H LYS A 10 66.575 8.231 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 10 68.145 6.538 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.193 6.211 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.345 5.169 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.734 8.162 -5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.499 6.872 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.638 6.063 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.827 7.291 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 10 70.924 9.084 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.785 7.829 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.095 8.641 -7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 72.681 7.011 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.846 8.226 -8.763 1.00 0.00 H new ATOM 162 N GLY A 11 65.026 6.166 -8.006 1.00 0.00 N ATOM 163 CA GLY A 11 63.845 5.337 -8.379 1.00 0.00 C ATOM 164 C GLY A 11 63.357 4.546 -7.165 1.00 0.00 C ATOM 165 O GLY A 11 62.637 3.577 -7.299 1.00 0.00 O ATOM 0 H GLY A 11 64.808 7.074 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.045 5.976 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.110 4.654 -9.186 1.00 0.00 H new ATOM 169 N CYS A 12 63.735 4.946 -5.980 1.00 0.00 N ATOM 170 CA CYS A 12 63.273 4.199 -4.775 1.00 0.00 C ATOM 171 C CYS A 12 61.767 4.401 -4.579 1.00 0.00 C ATOM 172 O CYS A 12 61.041 3.478 -4.266 1.00 0.00 O ATOM 173 CB CYS A 12 64.039 4.796 -3.589 1.00 0.00 C ATOM 174 SG CYS A 12 65.791 5.015 -3.999 1.00 0.00 S ATOM 0 H CYS A 12 64.337 5.749 -5.795 1.00 0.00 H new ATOM 0 HA CYS A 12 63.455 3.129 -4.873 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.602 5.756 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.943 4.142 -2.722 1.00 0.00 H new ATOM 0 HG CYS A 12 66.519 4.319 -3.177 1.00 0.00 H new ATOM 179 N MET A 13 61.295 5.604 -4.756 1.00 0.00 N ATOM 180 CA MET A 13 59.841 5.876 -4.576 1.00 0.00 C ATOM 181 C MET A 13 59.061 5.458 -5.825 1.00 0.00 C ATOM 182 O MET A 13 57.872 5.686 -5.931 1.00 0.00 O ATOM 183 CB MET A 13 59.751 7.387 -4.373 1.00 0.00 C ATOM 184 CG MET A 13 60.641 7.798 -3.198 1.00 0.00 C ATOM 185 SD MET A 13 59.640 8.646 -1.951 1.00 0.00 S ATOM 186 CE MET A 13 58.619 7.228 -1.479 1.00 0.00 C ATOM 0 H MET A 13 61.856 6.414 -5.019 1.00 0.00 H new ATOM 0 HA MET A 13 59.417 5.320 -3.739 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.064 7.906 -5.279 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.718 7.678 -4.180 1.00 0.00 H new ATOM 0 HG2 MET A 13 61.116 6.919 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.440 8.453 -3.545 1.00 0.00 H new ATOM 0 HE1 MET A 13 58.471 7.229 -0.399 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.652 7.294 -1.978 1.00 0.00 H new ATOM 0 HE3 MET A 13 59.118 6.305 -1.776 1.00 0.00 H new ATOM 196 N ALA A 14 59.720 4.857 -6.778 1.00 0.00 N ATOM 197 CA ALA A 14 59.014 4.435 -8.019 1.00 0.00 C ATOM 198 C ALA A 14 58.412 3.040 -7.849 1.00 0.00 C ATOM 199 O ALA A 14 57.285 2.789 -8.225 1.00 0.00 O ATOM 200 CB ALA A 14 60.090 4.428 -9.105 1.00 0.00 C ATOM 0 H ALA A 14 60.716 4.640 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 14 58.188 5.102 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.647 4.126 -10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.514 5.427 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.878 3.726 -8.832 1.00 0.00 H new ATOM 206 N CYS A 15 59.156 2.131 -7.287 1.00 0.00 N ATOM 207 CA CYS A 15 58.630 0.748 -7.095 1.00 0.00 C ATOM 208 C CYS A 15 58.076 0.575 -5.681 1.00 0.00 C ATOM 209 O CYS A 15 57.324 -0.341 -5.410 1.00 0.00 O ATOM 210 CB CYS A 15 59.842 -0.166 -7.268 1.00 0.00 C ATOM 211 SG CYS A 15 60.297 -0.296 -9.017 1.00 0.00 S ATOM 0 H CYS A 15 60.107 2.284 -6.951 1.00 0.00 H new ATOM 0 HA CYS A 15 57.826 0.527 -7.797 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.683 0.224 -6.696 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.618 -1.156 -6.870 1.00 0.00 H new ATOM 0 HG CYS A 15 61.330 -1.075 -9.140 1.00 0.00 H new ATOM 216 N HIS A 16 58.469 1.417 -4.768 1.00 0.00 N ATOM 217 CA HIS A 16 57.988 1.257 -3.367 1.00 0.00 C ATOM 218 C HIS A 16 56.817 2.189 -3.053 1.00 0.00 C ATOM 219 O HIS A 16 56.533 3.131 -3.766 1.00 0.00 O ATOM 220 CB HIS A 16 59.191 1.622 -2.500 1.00 0.00 C ATOM 221 CG HIS A 16 60.050 0.407 -2.291 1.00 0.00 C ATOM 222 ND1 HIS A 16 61.362 0.144 -2.604 1.00 0.00 N flip ATOM 223 CD2 HIS A 16 59.570 -0.738 -1.676 1.00 0.00 C flip ATOM 224 CE1 HIS A 16 61.691 -1.143 -2.189 1.00 0.00 C flip ATOM 225 NE2 HIS A 16 60.577 -1.630 -1.638 1.00 0.00 N flip ATOM 0 H HIS A 16 59.098 2.204 -4.928 1.00 0.00 H new ATOM 0 HA HIS A 16 57.623 0.245 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.771 2.411 -2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.855 2.011 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 16 58.570 -0.887 -1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 16 62.644 -1.641 -2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 16 60.499 -2.565 -1.237 1.00 0.00 H new ATOM 233 N ALA A 17 56.151 1.924 -1.962 1.00 0.00 N ATOM 234 CA ALA A 17 55.004 2.772 -1.537 1.00 0.00 C ATOM 235 C ALA A 17 55.108 3.014 -0.029 1.00 0.00 C ATOM 236 O ALA A 17 55.013 2.095 0.759 1.00 0.00 O ATOM 237 CB ALA A 17 53.758 1.954 -1.875 1.00 0.00 C ATOM 0 H ALA A 17 56.358 1.143 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 17 54.980 3.745 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.867 2.514 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.734 1.754 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.783 1.010 -1.330 1.00 0.00 H new ATOM 243 N ILE A 18 55.326 4.238 0.373 1.00 0.00 N ATOM 244 CA ILE A 18 55.469 4.549 1.830 1.00 0.00 C ATOM 245 C ILE A 18 54.515 3.697 2.665 1.00 0.00 C ATOM 246 O ILE A 18 54.833 3.289 3.763 1.00 0.00 O ATOM 247 CB ILE A 18 55.116 6.032 1.956 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.963 6.846 0.974 1.00 0.00 C ATOM 249 CG2 ILE A 18 55.398 6.506 3.383 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.062 7.432 -0.115 1.00 0.00 C ATOM 0 H ILE A 18 55.412 5.043 -0.248 1.00 0.00 H new ATOM 0 HA ILE A 18 56.474 4.334 2.194 1.00 0.00 H new ATOM 0 HB ILE A 18 54.059 6.172 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.481 7.647 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.728 6.212 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 18 55.146 7.563 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.795 5.929 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 18 56.454 6.364 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.665 8.011 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.564 6.623 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.314 8.080 0.342 1.00 0.00 H new ATOM 262 N ASP A 19 53.349 3.424 2.157 1.00 0.00 N ATOM 263 CA ASP A 19 52.383 2.596 2.942 1.00 0.00 C ATOM 264 C ASP A 19 51.440 1.817 2.016 1.00 0.00 C ATOM 265 O ASP A 19 50.483 1.215 2.462 1.00 0.00 O ATOM 266 CB ASP A 19 51.595 3.601 3.783 1.00 0.00 C ATOM 267 CG ASP A 19 51.344 3.019 5.176 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.716 1.878 5.396 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.784 3.725 5.998 1.00 0.00 O ATOM 0 H ASP A 19 53.021 3.732 1.242 1.00 0.00 H new ATOM 0 HA ASP A 19 52.894 1.853 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 19 52.148 4.537 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.647 3.832 3.298 1.00 0.00 H new ATOM 274 N THR A 20 51.698 1.815 0.738 1.00 0.00 N ATOM 275 CA THR A 20 50.809 1.066 -0.197 1.00 0.00 C ATOM 276 C THR A 20 51.567 -0.121 -0.798 1.00 0.00 C ATOM 277 O THR A 20 52.568 -0.561 -0.268 1.00 0.00 O ATOM 278 CB THR A 20 50.423 2.073 -1.279 1.00 0.00 C ATOM 279 OG1 THR A 20 51.285 3.201 -1.208 1.00 0.00 O ATOM 280 CG2 THR A 20 48.978 2.523 -1.068 1.00 0.00 C ATOM 0 H THR A 20 52.483 2.297 0.300 1.00 0.00 H new ATOM 0 HA THR A 20 49.928 0.660 0.301 1.00 0.00 H new ATOM 0 HB THR A 20 50.518 1.604 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.402 3.580 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.704 3.241 -1.841 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.316 1.659 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.882 2.990 -0.088 1.00 0.00 H new ATOM 288 N LYS A 21 51.102 -0.647 -1.899 1.00 0.00 N ATOM 289 CA LYS A 21 51.802 -1.804 -2.518 1.00 0.00 C ATOM 290 C LYS A 21 51.921 -1.614 -4.031 1.00 0.00 C ATOM 291 O LYS A 21 50.963 -1.298 -4.707 1.00 0.00 O ATOM 292 CB LYS A 21 50.930 -3.018 -2.195 1.00 0.00 C ATOM 293 CG LYS A 21 51.685 -4.301 -2.554 1.00 0.00 C ATOM 294 CD LYS A 21 50.816 -5.164 -3.472 1.00 0.00 C ATOM 295 CE LYS A 21 51.649 -5.644 -4.663 1.00 0.00 C ATOM 296 NZ LYS A 21 51.643 -7.130 -4.564 1.00 0.00 N ATOM 0 H LYS A 21 50.270 -0.325 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 21 52.817 -1.918 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.670 -3.021 -1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 49.995 -2.966 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.625 -4.056 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 21 51.936 -4.853 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.424 -6.019 -2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 21 49.958 -4.590 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.218 -5.310 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.664 -5.250 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 52.195 -7.532 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 52.066 -7.419 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.664 -7.477 -4.616 1.00 0.00 H new ATOM 310 N MET A 22 53.094 -1.810 -4.567 1.00 0.00 N ATOM 311 CA MET A 22 53.286 -1.647 -6.035 1.00 0.00 C ATOM 312 C MET A 22 54.230 -2.736 -6.559 1.00 0.00 C ATOM 313 O MET A 22 53.826 -3.862 -6.776 1.00 0.00 O ATOM 314 CB MET A 22 53.902 -0.257 -6.198 1.00 0.00 C ATOM 315 CG MET A 22 52.788 0.776 -6.364 1.00 0.00 C ATOM 316 SD MET A 22 53.253 2.304 -5.514 1.00 0.00 S ATOM 317 CE MET A 22 54.819 2.568 -6.380 1.00 0.00 C ATOM 0 H MET A 22 53.931 -2.077 -4.049 1.00 0.00 H new ATOM 0 HA MET A 22 52.356 -1.740 -6.596 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.512 -0.013 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.562 -0.239 -7.065 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.615 0.974 -7.422 1.00 0.00 H new ATOM 0 HG3 MET A 22 51.855 0.389 -5.955 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.079 3.626 -6.347 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.604 1.986 -5.897 1.00 0.00 H new ATOM 0 HE3 MET A 22 54.719 2.251 -7.418 1.00 0.00 H new ATOM 327 N VAL A 23 55.482 -2.421 -6.754 1.00 0.00 N ATOM 328 CA VAL A 23 56.438 -3.447 -7.247 1.00 0.00 C ATOM 329 C VAL A 23 57.138 -4.098 -6.053 1.00 0.00 C ATOM 330 O VAL A 23 57.493 -5.260 -6.081 1.00 0.00 O ATOM 331 CB VAL A 23 57.438 -2.681 -8.112 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.253 -3.669 -8.948 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.682 -1.729 -9.043 1.00 0.00 C ATOM 0 H VAL A 23 55.882 -1.497 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 23 55.952 -4.241 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 23 58.108 -2.108 -7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 23 58.966 -3.122 -9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.791 -4.348 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.583 -4.242 -9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.394 -1.182 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.012 -2.302 -9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.101 -1.024 -8.449 1.00 0.00 H new ATOM 343 N GLY A 24 57.324 -3.352 -5.001 1.00 0.00 N ATOM 344 CA GLY A 24 57.987 -3.912 -3.790 1.00 0.00 C ATOM 345 C GLY A 24 57.090 -3.659 -2.574 1.00 0.00 C ATOM 346 O GLY A 24 56.103 -2.957 -2.674 1.00 0.00 O ATOM 0 H GLY A 24 57.044 -2.374 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.161 -4.981 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.961 -3.446 -3.644 1.00 0.00 H new ATOM 350 N PRO A 25 57.456 -4.239 -1.460 1.00 0.00 N ATOM 351 CA PRO A 25 56.664 -4.071 -0.220 1.00 0.00 C ATOM 352 C PRO A 25 56.715 -2.616 0.252 1.00 0.00 C ATOM 353 O PRO A 25 57.756 -1.990 0.247 1.00 0.00 O ATOM 354 CB PRO A 25 57.385 -4.995 0.766 1.00 0.00 C ATOM 355 CG PRO A 25 58.572 -5.659 0.042 1.00 0.00 C ATOM 356 CD PRO A 25 58.666 -5.087 -1.378 1.00 0.00 C ATOM 0 HA PRO A 25 55.607 -4.309 -0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.737 -4.428 1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.700 -5.754 1.143 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.498 -5.473 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.435 -6.740 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.578 -4.508 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.663 -5.873 -2.133 1.00 0.00 H new ATOM 364 N ALA A 26 55.600 -2.073 0.658 1.00 0.00 N ATOM 365 CA ALA A 26 55.589 -0.658 1.130 1.00 0.00 C ATOM 366 C ALA A 26 56.808 -0.391 2.016 1.00 0.00 C ATOM 367 O ALA A 26 57.338 -1.286 2.645 1.00 0.00 O ATOM 368 CB ALA A 26 54.297 -0.520 1.935 1.00 0.00 C ATOM 0 H ALA A 26 54.697 -2.547 0.684 1.00 0.00 H new ATOM 0 HA ALA A 26 55.632 0.055 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.214 0.497 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.443 -0.736 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.311 -1.222 2.769 1.00 0.00 H new ATOM 374 N TYR A 27 57.263 0.831 2.067 1.00 0.00 N ATOM 375 CA TYR A 27 58.450 1.149 2.908 1.00 0.00 C ATOM 376 C TYR A 27 58.106 0.986 4.393 1.00 0.00 C ATOM 377 O TYR A 27 58.733 0.223 5.104 1.00 0.00 O ATOM 378 CB TYR A 27 58.784 2.605 2.575 1.00 0.00 C ATOM 379 CG TYR A 27 59.665 2.657 1.346 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.715 1.742 1.189 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.430 3.626 0.360 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.528 1.797 0.049 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.244 3.679 -0.777 1.00 0.00 C ATOM 384 CZ TYR A 27 61.293 2.765 -0.933 1.00 0.00 C ATOM 385 OH TYR A 27 62.094 2.819 -2.055 1.00 0.00 O ATOM 0 H TYR A 27 56.864 1.622 1.562 1.00 0.00 H new ATOM 0 HA TYR A 27 59.293 0.486 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.867 3.168 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.291 3.074 3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.898 0.994 1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.621 4.331 0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.337 1.091 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.063 4.426 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 27 62.061 1.958 -2.522 1.00 0.00 H new ATOM 395 N LYS A 28 57.114 1.686 4.873 1.00 0.00 N ATOM 396 CA LYS A 28 56.746 1.547 6.310 1.00 0.00 C ATOM 397 C LYS A 28 56.559 0.068 6.652 1.00 0.00 C ATOM 398 O LYS A 28 57.115 -0.435 7.608 1.00 0.00 O ATOM 399 CB LYS A 28 55.432 2.312 6.467 1.00 0.00 C ATOM 400 CG LYS A 28 55.323 2.848 7.897 1.00 0.00 C ATOM 401 CD LYS A 28 54.966 1.705 8.850 1.00 0.00 C ATOM 402 CE LYS A 28 53.491 1.337 8.678 1.00 0.00 C ATOM 403 NZ LYS A 28 53.017 1.003 10.050 1.00 0.00 N ATOM 0 H LYS A 28 56.547 2.343 4.337 1.00 0.00 H new ATOM 0 HA LYS A 28 57.514 1.937 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.391 3.136 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.589 1.657 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.266 3.304 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.562 3.627 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 55.594 0.838 8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 28 55.159 2.003 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.924 2.166 8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 28 53.371 0.491 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 52.011 0.740 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.571 0.206 10.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 53.137 1.830 10.670 1.00 0.00 H new ATOM 417 N ASP A 29 55.788 -0.633 5.870 1.00 0.00 N ATOM 418 CA ASP A 29 55.576 -2.085 6.145 1.00 0.00 C ATOM 419 C ASP A 29 56.926 -2.803 6.238 1.00 0.00 C ATOM 420 O ASP A 29 57.153 -3.608 7.119 1.00 0.00 O ATOM 421 CB ASP A 29 54.775 -2.607 4.951 1.00 0.00 C ATOM 422 CG ASP A 29 53.278 -2.478 5.241 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.913 -1.578 5.980 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.522 -3.281 4.720 1.00 0.00 O ATOM 0 H ASP A 29 55.296 -0.267 5.055 1.00 0.00 H new ATOM 0 HA ASP A 29 55.055 -2.255 7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.032 -2.044 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.030 -3.649 4.757 1.00 0.00 H new ATOM 429 N VAL A 30 57.824 -2.512 5.336 1.00 0.00 N ATOM 430 CA VAL A 30 59.162 -3.174 5.371 1.00 0.00 C ATOM 431 C VAL A 30 59.804 -2.984 6.745 1.00 0.00 C ATOM 432 O VAL A 30 60.513 -3.840 7.236 1.00 0.00 O ATOM 433 CB VAL A 30 59.980 -2.466 4.289 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.467 -2.754 4.497 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.551 -2.974 2.911 1.00 0.00 C ATOM 0 H VAL A 30 57.690 -1.845 4.576 1.00 0.00 H new ATOM 0 HA VAL A 30 59.101 -4.248 5.196 1.00 0.00 H new ATOM 0 HB VAL A 30 59.808 -1.392 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.047 -2.248 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.774 -2.391 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.641 -3.828 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.133 -2.470 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.722 -4.049 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.492 -2.766 2.760 1.00 0.00 H new ATOM 445 N ALA A 31 59.563 -1.866 7.369 1.00 0.00 N ATOM 446 CA ALA A 31 60.158 -1.615 8.712 1.00 0.00 C ATOM 447 C ALA A 31 59.343 -2.324 9.797 1.00 0.00 C ATOM 448 O ALA A 31 59.850 -2.659 10.848 1.00 0.00 O ATOM 449 CB ALA A 31 60.089 -0.100 8.900 1.00 0.00 C ATOM 0 H ALA A 31 58.978 -1.113 7.007 1.00 0.00 H new ATOM 0 HA ALA A 31 61.179 -1.991 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.510 0.166 9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.658 0.391 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.050 0.225 8.854 1.00 0.00 H new ATOM 455 N ALA A 32 58.082 -2.550 9.553 1.00 0.00 N ATOM 456 CA ALA A 32 57.239 -3.233 10.577 1.00 0.00 C ATOM 457 C ALA A 32 57.606 -4.716 10.666 1.00 0.00 C ATOM 458 O ALA A 32 57.482 -5.334 11.705 1.00 0.00 O ATOM 459 CB ALA A 32 55.802 -3.065 10.084 1.00 0.00 C ATOM 0 H ALA A 32 57.599 -2.293 8.692 1.00 0.00 H new ATOM 0 HA ALA A 32 57.381 -2.813 11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.118 -3.542 10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.564 -2.004 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.697 -3.529 9.103 1.00 0.00 H new ATOM 465 N LYS A 33 58.061 -5.289 9.588 1.00 0.00 N ATOM 466 CA LYS A 33 58.440 -6.730 9.612 1.00 0.00 C ATOM 467 C LYS A 33 59.877 -6.878 10.113 1.00 0.00 C ATOM 468 O LYS A 33 60.201 -7.793 10.843 1.00 0.00 O ATOM 469 CB LYS A 33 58.324 -7.196 8.161 1.00 0.00 C ATOM 470 CG LYS A 33 58.013 -8.693 8.128 1.00 0.00 C ATOM 471 CD LYS A 33 56.633 -8.916 7.506 1.00 0.00 C ATOM 472 CE LYS A 33 56.336 -10.416 7.446 1.00 0.00 C ATOM 473 NZ LYS A 33 56.486 -10.896 8.848 1.00 0.00 N ATOM 0 H LYS A 33 58.187 -4.822 8.690 1.00 0.00 H new ATOM 0 HA LYS A 33 57.806 -7.318 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.538 -6.639 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.253 -6.995 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.773 -9.220 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.039 -9.103 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.870 -8.407 8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.600 -8.488 6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 33 55.330 -10.604 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.028 -10.929 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 55.944 -11.775 8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 57.491 -11.077 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 56.128 -10.172 9.503 1.00 0.00 H new ATOM 487 N TYR A 34 60.738 -5.977 9.729 1.00 0.00 N ATOM 488 CA TYR A 34 62.152 -6.054 10.187 1.00 0.00 C ATOM 489 C TYR A 34 62.305 -5.316 11.519 1.00 0.00 C ATOM 490 O TYR A 34 63.362 -5.310 12.121 1.00 0.00 O ATOM 491 CB TYR A 34 62.962 -5.361 9.090 1.00 0.00 C ATOM 492 CG TYR A 34 63.381 -6.377 8.056 1.00 0.00 C ATOM 493 CD1 TYR A 34 64.433 -7.260 8.327 1.00 0.00 C ATOM 494 CD2 TYR A 34 62.718 -6.437 6.824 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.823 -8.202 7.368 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.107 -7.379 5.865 1.00 0.00 C ATOM 497 CZ TYR A 34 64.159 -8.262 6.136 1.00 0.00 C ATOM 498 OH TYR A 34 64.542 -9.190 5.190 1.00 0.00 O ATOM 0 H TYR A 34 60.522 -5.190 9.117 1.00 0.00 H new ATOM 0 HA TYR A 34 62.485 -7.079 10.348 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.366 -4.576 8.624 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.841 -4.881 9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 34 64.944 -7.214 9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 34 61.906 -5.756 6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 34 65.635 -8.882 7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 34 62.595 -7.425 4.915 1.00 0.00 H new ATOM 0 HH TYR A 34 63.978 -9.097 4.394 1.00 0.00 H new ATOM 508 N ALA A 35 61.256 -4.693 11.984 1.00 0.00 N ATOM 509 CA ALA A 35 61.339 -3.956 13.278 1.00 0.00 C ATOM 510 C ALA A 35 61.772 -4.904 14.400 1.00 0.00 C ATOM 511 O ALA A 35 61.025 -5.765 14.821 1.00 0.00 O ATOM 512 CB ALA A 35 59.923 -3.439 13.530 1.00 0.00 C ATOM 0 H ALA A 35 60.346 -4.662 11.524 1.00 0.00 H new ATOM 0 HA ALA A 35 62.069 -3.147 13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.900 -2.883 14.467 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.624 -2.783 12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.234 -4.281 13.590 1.00 0.00 H new ATOM 518 N GLY A 36 62.974 -4.754 14.886 1.00 0.00 N ATOM 519 CA GLY A 36 63.452 -5.649 15.979 1.00 0.00 C ATOM 520 C GLY A 36 64.909 -6.035 15.722 1.00 0.00 C ATOM 521 O GLY A 36 65.640 -6.381 16.629 1.00 0.00 O ATOM 0 H GLY A 36 63.645 -4.052 14.574 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.363 -5.145 16.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.831 -6.543 16.029 1.00 0.00 H new ATOM 525 N GLN A 37 65.338 -5.979 14.490 1.00 0.00 N ATOM 526 CA GLN A 37 66.750 -6.343 14.175 1.00 0.00 C ATOM 527 C GLN A 37 67.704 -5.298 14.761 1.00 0.00 C ATOM 528 O GLN A 37 67.364 -4.139 14.891 1.00 0.00 O ATOM 529 CB GLN A 37 66.828 -6.344 12.647 1.00 0.00 C ATOM 530 CG GLN A 37 66.505 -7.745 12.122 1.00 0.00 C ATOM 531 CD GLN A 37 67.774 -8.384 11.554 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.754 -8.542 12.255 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.798 -8.763 10.306 1.00 0.00 N ATOM 0 H GLN A 37 64.773 -5.697 13.689 1.00 0.00 H new ATOM 0 HA GLN A 37 67.034 -7.307 14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.126 -5.619 12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.824 -6.043 12.323 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.103 -8.362 12.926 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.738 -7.687 11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.976 -8.631 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.639 -9.192 9.919 1.00 0.00 H new ATOM 542 N ALA A 38 68.895 -5.697 15.119 1.00 0.00 N ATOM 543 CA ALA A 38 69.864 -4.725 15.696 1.00 0.00 C ATOM 544 C ALA A 38 70.684 -4.066 14.585 1.00 0.00 C ATOM 545 O ALA A 38 71.870 -3.841 14.725 1.00 0.00 O ATOM 546 CB ALA A 38 70.767 -5.559 16.607 1.00 0.00 C ATOM 0 H ALA A 38 69.237 -6.654 15.036 1.00 0.00 H new ATOM 0 HA ALA A 38 69.366 -3.921 16.239 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.511 -4.913 17.072 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.164 -6.033 17.381 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.270 -6.326 16.018 1.00 0.00 H new ATOM 552 N GLY A 39 70.062 -3.751 13.480 1.00 0.00 N ATOM 553 CA GLY A 39 70.811 -3.107 12.364 1.00 0.00 C ATOM 554 C GLY A 39 70.249 -3.585 11.025 1.00 0.00 C ATOM 555 O GLY A 39 70.984 -3.890 10.107 1.00 0.00 O ATOM 0 H GLY A 39 69.070 -3.912 13.303 1.00 0.00 H new ATOM 0 HA2 GLY A 39 70.731 -2.022 12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.870 -3.354 12.434 1.00 0.00 H new ATOM 559 N ALA A 40 68.951 -3.652 10.903 1.00 0.00 N ATOM 560 CA ALA A 40 68.348 -4.108 9.618 1.00 0.00 C ATOM 561 C ALA A 40 68.570 -3.057 8.532 1.00 0.00 C ATOM 562 O ALA A 40 68.419 -3.324 7.358 1.00 0.00 O ATOM 563 CB ALA A 40 66.856 -4.274 9.913 1.00 0.00 C ATOM 0 H ALA A 40 68.283 -3.411 11.636 1.00 0.00 H new ATOM 0 HA ALA A 40 68.794 -5.035 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.342 -4.609 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.721 -5.013 10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.440 -3.319 10.234 1.00 0.00 H new ATOM 569 N GLU A 41 68.940 -1.865 8.913 1.00 0.00 N ATOM 570 CA GLU A 41 69.186 -0.806 7.896 1.00 0.00 C ATOM 571 C GLU A 41 70.580 -1.002 7.297 1.00 0.00 C ATOM 572 O GLU A 41 70.801 -0.767 6.125 1.00 0.00 O ATOM 573 CB GLU A 41 69.091 0.520 8.655 1.00 0.00 C ATOM 574 CG GLU A 41 70.056 0.513 9.843 1.00 0.00 C ATOM 575 CD GLU A 41 70.243 1.941 10.356 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.250 2.639 10.482 1.00 0.00 O ATOM 577 OE2 GLU A 41 71.375 2.315 10.616 1.00 0.00 O ATOM 0 H GLU A 41 69.082 -1.580 9.882 1.00 0.00 H new ATOM 0 HA GLU A 41 68.471 -0.834 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.329 1.348 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.071 0.676 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 41 69.666 -0.122 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.017 0.094 9.543 1.00 0.00 H new ATOM 584 N ALA A 42 71.515 -1.458 8.087 1.00 0.00 N ATOM 585 CA ALA A 42 72.885 -1.695 7.553 1.00 0.00 C ATOM 586 C ALA A 42 72.819 -2.812 6.513 1.00 0.00 C ATOM 587 O ALA A 42 73.312 -2.681 5.409 1.00 0.00 O ATOM 588 CB ALA A 42 73.718 -2.125 8.761 1.00 0.00 C ATOM 0 H ALA A 42 71.389 -1.676 9.076 1.00 0.00 H new ATOM 0 HA ALA A 42 73.315 -0.817 7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.743 -2.318 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.712 -1.332 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.294 -3.032 9.191 1.00 0.00 H new ATOM 594 N TYR A 43 72.184 -3.902 6.849 1.00 0.00 N ATOM 595 CA TYR A 43 72.053 -5.014 5.870 1.00 0.00 C ATOM 596 C TYR A 43 71.210 -4.522 4.704 1.00 0.00 C ATOM 597 O TYR A 43 71.557 -4.694 3.554 1.00 0.00 O ATOM 598 CB TYR A 43 71.340 -6.130 6.638 1.00 0.00 C ATOM 599 CG TYR A 43 71.558 -7.456 5.950 1.00 0.00 C ATOM 600 CD1 TYR A 43 71.301 -7.588 4.581 1.00 0.00 C ATOM 601 CD2 TYR A 43 72.010 -8.557 6.687 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.497 -8.821 3.948 1.00 0.00 C ATOM 603 CE2 TYR A 43 72.204 -9.789 6.056 1.00 0.00 C ATOM 604 CZ TYR A 43 71.949 -9.922 4.686 1.00 0.00 C ATOM 605 OH TYR A 43 72.140 -11.139 4.064 1.00 0.00 O ATOM 0 H TYR A 43 71.752 -4.069 7.758 1.00 0.00 H new ATOM 0 HA TYR A 43 73.004 -5.363 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 43 71.716 -6.176 7.660 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.273 -5.915 6.700 1.00 0.00 H new ATOM 0 HD1 TYR A 43 70.951 -6.739 4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.209 -8.454 7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 43 71.300 -8.923 2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 43 72.551 -10.639 6.626 1.00 0.00 H new ATOM 0 HH TYR A 43 72.457 -11.795 4.719 1.00 0.00 H new ATOM 615 N LEU A 44 70.121 -3.873 4.995 1.00 0.00 N ATOM 616 CA LEU A 44 69.280 -3.324 3.905 1.00 0.00 C ATOM 617 C LEU A 44 70.159 -2.418 3.050 1.00 0.00 C ATOM 618 O LEU A 44 69.878 -2.156 1.901 1.00 0.00 O ATOM 619 CB LEU A 44 68.188 -2.526 4.621 1.00 0.00 C ATOM 620 CG LEU A 44 67.070 -3.476 5.056 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.101 -2.739 5.982 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.315 -3.975 3.822 1.00 0.00 C ATOM 0 H LEU A 44 69.779 -3.700 5.940 1.00 0.00 H new ATOM 0 HA LEU A 44 68.843 -4.080 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.605 -2.015 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 44 67.790 -1.757 3.959 1.00 0.00 H new ATOM 0 HG LEU A 44 67.503 -4.324 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.306 -3.417 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 44 66.637 -2.385 6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.669 -1.889 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.519 -4.652 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.884 -3.126 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.004 -4.503 3.163 1.00 0.00 H new ATOM 634 N ALA A 45 71.244 -1.955 3.611 1.00 0.00 N ATOM 635 CA ALA A 45 72.170 -1.079 2.845 1.00 0.00 C ATOM 636 C ALA A 45 72.971 -1.914 1.846 1.00 0.00 C ATOM 637 O ALA A 45 73.150 -1.531 0.706 1.00 0.00 O ATOM 638 CB ALA A 45 73.093 -0.460 3.895 1.00 0.00 C ATOM 0 H ALA A 45 71.528 -2.148 4.571 1.00 0.00 H new ATOM 0 HA ALA A 45 71.643 -0.316 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.808 0.202 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.500 0.111 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.630 -1.251 4.419 1.00 0.00 H new ATOM 644 N GLN A 46 73.451 -3.058 2.257 1.00 0.00 N ATOM 645 CA GLN A 46 74.233 -3.902 1.309 1.00 0.00 C ATOM 646 C GLN A 46 73.291 -4.589 0.319 1.00 0.00 C ATOM 647 O GLN A 46 73.692 -5.004 -0.750 1.00 0.00 O ATOM 648 CB GLN A 46 74.963 -4.926 2.182 1.00 0.00 C ATOM 649 CG GLN A 46 73.960 -5.920 2.772 1.00 0.00 C ATOM 650 CD GLN A 46 74.692 -7.203 3.168 1.00 0.00 C ATOM 651 OE1 GLN A 46 74.185 -8.290 2.976 1.00 0.00 O ATOM 652 NE2 GLN A 46 75.873 -7.120 3.716 1.00 0.00 N ATOM 0 H GLN A 46 73.337 -3.440 3.196 1.00 0.00 H new ATOM 0 HA GLN A 46 74.936 -3.317 0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 46 75.708 -5.457 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 46 75.498 -4.417 2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 46 73.469 -5.485 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 46 73.180 -6.143 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.298 -6.207 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.372 -7.969 3.984 1.00 0.00 H new ATOM 661 N ARG A 47 72.037 -4.699 0.661 1.00 0.00 N ATOM 662 CA ARG A 47 71.063 -5.341 -0.266 1.00 0.00 C ATOM 663 C ARG A 47 70.447 -4.274 -1.170 1.00 0.00 C ATOM 664 O ARG A 47 69.874 -4.572 -2.198 1.00 0.00 O ATOM 665 CB ARG A 47 70.000 -5.968 0.636 1.00 0.00 C ATOM 666 CG ARG A 47 70.535 -7.277 1.222 1.00 0.00 C ATOM 667 CD ARG A 47 70.309 -8.414 0.222 1.00 0.00 C ATOM 668 NE ARG A 47 70.300 -9.655 1.047 1.00 0.00 N ATOM 669 CZ ARG A 47 69.319 -9.884 1.878 1.00 0.00 C ATOM 670 NH1 ARG A 47 68.339 -9.026 1.991 1.00 0.00 N ATOM 671 NH2 ARG A 47 69.316 -10.973 2.598 1.00 0.00 N ATOM 0 H ARG A 47 71.644 -4.372 1.544 1.00 0.00 H new ATOM 0 HA ARG A 47 71.525 -6.088 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.736 -5.279 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.090 -6.157 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.598 -7.180 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 47 70.031 -7.500 2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 47 69.368 -8.288 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 47 71.100 -8.444 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 47 71.062 -10.327 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 47 68.339 -8.175 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 47 67.574 -9.208 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 70.079 -11.644 2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 47 68.550 -11.153 3.247 1.00 0.00 H new ATOM 685 N ILE A 48 70.573 -3.031 -0.794 1.00 0.00 N ATOM 686 CA ILE A 48 70.010 -1.934 -1.630 1.00 0.00 C ATOM 687 C ILE A 48 71.027 -1.537 -2.702 1.00 0.00 C ATOM 688 O ILE A 48 70.669 -1.145 -3.796 1.00 0.00 O ATOM 689 CB ILE A 48 69.763 -0.778 -0.657 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.459 -1.028 0.106 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.652 0.538 -1.432 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.410 -0.122 1.339 1.00 0.00 C ATOM 0 H ILE A 48 71.043 -2.727 0.059 1.00 0.00 H new ATOM 0 HA ILE A 48 69.094 -2.223 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 48 70.595 -0.714 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.603 -0.829 -0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.395 -2.074 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.476 1.357 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.578 0.718 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.822 0.477 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.482 -0.298 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.259 -0.343 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.454 0.921 1.026 1.00 0.00 H new ATOM 704 N LYS A 49 72.293 -1.640 -2.399 1.00 0.00 N ATOM 705 CA LYS A 49 73.327 -1.272 -3.406 1.00 0.00 C ATOM 706 C LYS A 49 73.553 -2.432 -4.381 1.00 0.00 C ATOM 707 O LYS A 49 74.043 -2.245 -5.478 1.00 0.00 O ATOM 708 CB LYS A 49 74.594 -0.996 -2.595 1.00 0.00 C ATOM 709 CG LYS A 49 75.084 0.422 -2.889 1.00 0.00 C ATOM 710 CD LYS A 49 76.602 0.409 -3.082 1.00 0.00 C ATOM 711 CE LYS A 49 76.964 1.172 -4.359 1.00 0.00 C ATOM 712 NZ LYS A 49 78.440 1.014 -4.496 1.00 0.00 N ATOM 0 H LYS A 49 72.654 -1.962 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 49 73.032 -0.409 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.390 -1.109 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.368 -1.720 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.596 0.808 -3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 49 74.817 1.088 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.092 0.866 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.962 -0.618 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 49 76.441 0.764 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.685 2.223 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 78.764 1.511 -5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.911 1.417 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.675 0.004 -4.572 1.00 0.00 H new ATOM 726 N ASN A 50 73.201 -3.629 -3.993 1.00 0.00 N ATOM 727 CA ASN A 50 73.399 -4.794 -4.904 1.00 0.00 C ATOM 728 C ASN A 50 72.050 -5.420 -5.276 1.00 0.00 C ATOM 729 O ASN A 50 71.963 -6.246 -6.162 1.00 0.00 O ATOM 730 CB ASN A 50 74.245 -5.784 -4.103 1.00 0.00 C ATOM 731 CG ASN A 50 75.421 -5.051 -3.456 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.228 -4.136 -2.680 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.639 -5.418 -3.744 1.00 0.00 N ATOM 0 H ASN A 50 72.786 -3.850 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 50 73.880 -4.506 -5.839 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.635 -6.261 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 50 74.612 -6.575 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.431 -4.937 -3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 50 76.800 -6.186 -4.396 1.00 0.00 H new ATOM 740 N GLY A 51 70.997 -5.035 -4.605 1.00 0.00 N ATOM 741 CA GLY A 51 69.658 -5.614 -4.925 1.00 0.00 C ATOM 742 C GLY A 51 69.700 -7.129 -4.696 1.00 0.00 C ATOM 743 O GLY A 51 70.764 -7.714 -4.645 1.00 0.00 O ATOM 0 H GLY A 51 71.005 -4.347 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.892 -5.160 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.392 -5.397 -5.960 1.00 0.00 H new ATOM 747 N SER A 52 68.568 -7.783 -4.552 1.00 0.00 N ATOM 748 CA SER A 52 68.626 -9.268 -4.320 1.00 0.00 C ATOM 749 C SER A 52 67.231 -9.901 -4.189 1.00 0.00 C ATOM 750 O SER A 52 66.248 -9.227 -3.955 1.00 0.00 O ATOM 751 CB SER A 52 69.388 -9.421 -3.005 1.00 0.00 C ATOM 752 OG SER A 52 70.073 -10.668 -3.002 1.00 0.00 O ATOM 0 H SER A 52 67.635 -7.371 -4.583 1.00 0.00 H new ATOM 0 HA SER A 52 69.101 -9.773 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 52 70.098 -8.603 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.698 -9.370 -2.163 1.00 0.00 H new ATOM 0 HG SER A 52 70.565 -10.769 -2.160 1.00 0.00 H new ATOM 758 N GLN A 53 67.156 -11.208 -4.323 1.00 0.00 N ATOM 759 CA GLN A 53 65.844 -11.917 -4.195 1.00 0.00 C ATOM 760 C GLN A 53 65.776 -12.635 -2.839 1.00 0.00 C ATOM 761 O GLN A 53 66.685 -12.549 -2.038 1.00 0.00 O ATOM 762 CB GLN A 53 65.802 -12.906 -5.388 1.00 0.00 C ATOM 763 CG GLN A 53 65.872 -14.372 -4.930 1.00 0.00 C ATOM 764 CD GLN A 53 67.190 -14.621 -4.193 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.194 -15.024 -3.047 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.320 -14.395 -4.807 1.00 0.00 N ATOM 0 H GLN A 53 67.953 -11.814 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 53 64.987 -11.244 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.885 -12.748 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.634 -12.697 -6.060 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.030 -14.599 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.795 -15.036 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.319 -14.057 -5.769 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.204 -14.557 -4.324 1.00 0.00 H new ATOM 775 N GLY A 54 64.710 -13.340 -2.577 1.00 0.00 N ATOM 776 CA GLY A 54 64.597 -14.054 -1.275 1.00 0.00 C ATOM 777 C GLY A 54 64.378 -13.027 -0.169 1.00 0.00 C ATOM 778 O GLY A 54 64.613 -13.285 0.994 1.00 0.00 O ATOM 0 H GLY A 54 63.915 -13.452 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.768 -14.761 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.501 -14.631 -1.081 1.00 0.00 H new ATOM 782 N VAL A 55 63.927 -11.861 -0.532 1.00 0.00 N ATOM 783 CA VAL A 55 63.685 -10.803 0.483 1.00 0.00 C ATOM 784 C VAL A 55 62.208 -10.797 0.876 1.00 0.00 C ATOM 785 O VAL A 55 61.841 -11.177 1.970 1.00 0.00 O ATOM 786 CB VAL A 55 64.061 -9.501 -0.223 1.00 0.00 C ATOM 787 CG1 VAL A 55 63.947 -8.335 0.755 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.500 -9.597 -0.734 1.00 0.00 C ATOM 0 H VAL A 55 63.715 -11.595 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 55 64.259 -10.951 1.398 1.00 0.00 H new ATOM 0 HB VAL A 55 63.385 -9.337 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.216 -7.408 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.922 -8.265 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.621 -8.498 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.770 -8.669 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.174 -9.763 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.583 -10.428 -1.435 1.00 0.00 H new ATOM 798 N TRP A 56 61.360 -10.374 -0.018 1.00 0.00 N ATOM 799 CA TRP A 56 59.907 -10.344 0.280 1.00 0.00 C ATOM 800 C TRP A 56 59.174 -11.333 -0.629 1.00 0.00 C ATOM 801 O TRP A 56 58.237 -11.991 -0.226 1.00 0.00 O ATOM 802 CB TRP A 56 59.492 -8.914 -0.039 1.00 0.00 C ATOM 803 CG TRP A 56 60.106 -7.984 0.957 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.236 -7.269 0.754 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.653 -7.655 2.302 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.505 -6.522 1.887 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.557 -6.725 2.869 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.554 -8.068 3.079 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.378 -6.222 4.158 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.372 -7.563 4.378 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.283 -6.643 4.915 1.00 0.00 C ATOM 0 H TRP A 56 61.616 -10.046 -0.949 1.00 0.00 H new ATOM 0 HA TRP A 56 59.674 -10.623 1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.811 -8.647 -1.047 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.406 -8.825 -0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.832 -7.280 -0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.306 -5.898 1.984 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.847 -8.777 2.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.081 -5.512 4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.525 -7.886 4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.138 -6.260 5.914 1.00 0.00 H new ATOM 822 N GLY A 57 59.605 -11.436 -1.855 1.00 0.00 N ATOM 823 CA GLY A 57 58.949 -12.377 -2.807 1.00 0.00 C ATOM 824 C GLY A 57 59.942 -12.764 -3.909 1.00 0.00 C ATOM 825 O GLY A 57 61.117 -12.470 -3.809 1.00 0.00 O ATOM 0 H GLY A 57 60.387 -10.907 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.610 -13.268 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.066 -11.911 -3.245 1.00 0.00 H new ATOM 829 N PRO A 58 59.439 -13.415 -4.932 1.00 0.00 N ATOM 830 CA PRO A 58 60.290 -13.851 -6.073 1.00 0.00 C ATOM 831 C PRO A 58 60.768 -12.662 -6.925 1.00 0.00 C ATOM 832 O PRO A 58 61.284 -12.850 -8.009 1.00 0.00 O ATOM 833 CB PRO A 58 59.328 -14.721 -6.888 1.00 0.00 C ATOM 834 CG PRO A 58 57.954 -14.732 -6.191 1.00 0.00 C ATOM 835 CD PRO A 58 58.000 -13.765 -5.002 1.00 0.00 C ATOM 0 HA PRO A 58 61.198 -14.359 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.234 -14.331 -7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.716 -15.736 -6.972 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.173 -14.434 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.711 -15.739 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.376 -12.887 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.651 -14.235 -4.082 1.00 0.00 H new ATOM 843 N ILE A 59 60.598 -11.448 -6.469 1.00 0.00 N ATOM 844 CA ILE A 59 61.049 -10.282 -7.284 1.00 0.00 C ATOM 845 C ILE A 59 62.271 -9.614 -6.640 1.00 0.00 C ATOM 846 O ILE A 59 62.131 -8.664 -5.893 1.00 0.00 O ATOM 847 CB ILE A 59 59.862 -9.316 -7.292 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.583 -10.073 -7.658 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.111 -8.213 -8.322 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.427 -9.081 -7.815 1.00 0.00 C ATOM 0 H ILE A 59 60.169 -11.215 -5.573 1.00 0.00 H new ATOM 0 HA ILE A 59 61.344 -10.581 -8.290 1.00 0.00 H new ATOM 0 HB ILE A 59 59.750 -8.874 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.729 -10.627 -8.585 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.346 -10.803 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.266 -7.524 -8.329 1.00 0.00 H new ATOM 0 HG22 ILE A 59 61.020 -7.670 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.225 -8.657 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.517 -9.621 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.276 -8.547 -6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.664 -8.368 -8.604 1.00 0.00 H new ATOM 862 N PRO A 60 63.438 -10.123 -6.954 1.00 0.00 N ATOM 863 CA PRO A 60 64.693 -9.557 -6.404 1.00 0.00 C ATOM 864 C PRO A 60 64.854 -8.094 -6.803 1.00 0.00 C ATOM 865 O PRO A 60 64.658 -7.725 -7.944 1.00 0.00 O ATOM 866 CB PRO A 60 65.772 -10.403 -7.082 1.00 0.00 C ATOM 867 CG PRO A 60 65.089 -11.437 -7.997 1.00 0.00 C ATOM 868 CD PRO A 60 63.568 -11.284 -7.865 1.00 0.00 C ATOM 0 HA PRO A 60 64.729 -9.582 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.440 -9.768 -7.663 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.383 -10.907 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.395 -11.286 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.393 -12.446 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.094 -11.098 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.105 -12.179 -7.450 1.00 0.00 H new ATOM 876 N MET A 61 65.232 -7.260 -5.879 1.00 0.00 N ATOM 877 CA MET A 61 65.429 -5.830 -6.221 1.00 0.00 C ATOM 878 C MET A 61 66.690 -5.679 -7.073 1.00 0.00 C ATOM 879 O MET A 61 67.725 -6.197 -6.709 1.00 0.00 O ATOM 880 CB MET A 61 65.632 -5.138 -4.879 1.00 0.00 C ATOM 881 CG MET A 61 66.115 -3.706 -5.114 1.00 0.00 C ATOM 882 SD MET A 61 66.145 -2.814 -3.542 1.00 0.00 S ATOM 883 CE MET A 61 67.467 -3.770 -2.766 1.00 0.00 C ATOM 0 H MET A 61 65.412 -7.506 -4.906 1.00 0.00 H new ATOM 0 HA MET A 61 64.593 -5.413 -6.783 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.699 -5.131 -4.316 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.361 -5.686 -4.281 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.110 -3.715 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.456 -3.200 -5.819 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.572 -3.467 -1.724 1.00 0.00 H new ATOM 0 HE2 MET A 61 67.224 -4.832 -2.813 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.404 -3.589 -3.292 1.00 0.00 H new ATOM 893 N PRO A 62 66.578 -4.975 -8.172 1.00 0.00 N ATOM 894 CA PRO A 62 67.751 -4.757 -9.047 1.00 0.00 C ATOM 895 C PRO A 62 68.774 -3.877 -8.316 1.00 0.00 C ATOM 896 O PRO A 62 68.399 -2.924 -7.660 1.00 0.00 O ATOM 897 CB PRO A 62 67.147 -4.012 -10.242 1.00 0.00 C ATOM 898 CG PRO A 62 65.640 -3.819 -9.993 1.00 0.00 C ATOM 899 CD PRO A 62 65.295 -4.375 -8.605 1.00 0.00 C ATOM 0 HA PRO A 62 68.272 -5.670 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.635 -3.046 -10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.309 -4.576 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.380 -2.762 -10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 62 65.061 -4.333 -10.760 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.964 -3.591 -7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.496 -5.115 -8.651 1.00 0.00 H new ATOM 907 N PRO A 63 70.031 -4.214 -8.440 1.00 0.00 N ATOM 908 CA PRO A 63 71.090 -3.426 -7.768 1.00 0.00 C ATOM 909 C PRO A 63 71.062 -1.977 -8.265 1.00 0.00 C ATOM 910 O PRO A 63 70.914 -1.718 -9.442 1.00 0.00 O ATOM 911 CB PRO A 63 72.370 -4.144 -8.200 1.00 0.00 C ATOM 912 CG PRO A 63 71.991 -5.326 -9.116 1.00 0.00 C ATOM 913 CD PRO A 63 70.463 -5.380 -9.246 1.00 0.00 C ATOM 0 HA PRO A 63 70.984 -3.369 -6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 63 73.030 -3.455 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.915 -4.503 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.449 -5.205 -10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.368 -6.261 -8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 63 70.141 -5.297 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 63 70.056 -6.314 -8.859 1.00 0.00 H new ATOM 921 N ASN A 64 71.190 -1.028 -7.377 1.00 0.00 N ATOM 922 CA ASN A 64 71.154 0.401 -7.804 1.00 0.00 C ATOM 923 C ASN A 64 72.546 1.030 -7.720 1.00 0.00 C ATOM 924 O ASN A 64 73.525 0.368 -7.437 1.00 0.00 O ATOM 925 CB ASN A 64 70.204 1.080 -6.820 1.00 0.00 C ATOM 926 CG ASN A 64 68.854 0.361 -6.833 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.749 -0.811 -6.270 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.885 0.871 -7.358 1.00 0.00 N flip ATOM 0 H ASN A 64 71.318 -1.180 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 64 70.827 0.508 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.629 1.060 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.072 2.128 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.967 1.787 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 64 66.989 0.383 -7.359 1.00 0.00 H new ATOM 935 N ALA A 65 72.635 2.310 -7.964 1.00 0.00 N ATOM 936 CA ALA A 65 73.957 2.997 -7.899 1.00 0.00 C ATOM 937 C ALA A 65 73.979 3.981 -6.727 1.00 0.00 C ATOM 938 O ALA A 65 74.549 5.050 -6.811 1.00 0.00 O ATOM 939 CB ALA A 65 74.077 3.742 -9.228 1.00 0.00 C ATOM 0 H ALA A 65 71.847 2.911 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 65 74.782 2.301 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.026 4.276 -9.261 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.033 3.028 -10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.257 4.454 -9.321 1.00 0.00 H new ATOM 945 N VAL A 66 73.360 3.625 -5.636 1.00 0.00 N ATOM 946 CA VAL A 66 73.341 4.534 -4.456 1.00 0.00 C ATOM 947 C VAL A 66 74.646 4.398 -3.668 1.00 0.00 C ATOM 948 O VAL A 66 74.936 3.360 -3.109 1.00 0.00 O ATOM 949 CB VAL A 66 72.155 4.065 -3.614 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.854 4.326 -4.375 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.289 2.565 -3.336 1.00 0.00 C ATOM 0 H VAL A 66 72.865 2.742 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 66 73.248 5.582 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 66 72.141 4.611 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.008 3.992 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.757 5.393 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.868 3.780 -5.318 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.444 2.229 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.303 2.020 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.216 2.377 -2.795 1.00 0.00 H new ATOM 961 N SER A 67 75.434 5.438 -3.616 1.00 0.00 N ATOM 962 CA SER A 67 76.716 5.359 -2.857 1.00 0.00 C ATOM 963 C SER A 67 76.464 4.727 -1.487 1.00 0.00 C ATOM 964 O SER A 67 75.340 4.466 -1.116 1.00 0.00 O ATOM 965 CB SER A 67 77.181 6.807 -2.706 1.00 0.00 C ATOM 966 OG SER A 67 78.450 6.961 -3.328 1.00 0.00 O ATOM 0 H SER A 67 75.247 6.335 -4.064 1.00 0.00 H new ATOM 0 HA SER A 67 77.464 4.748 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.456 7.483 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.246 7.072 -1.651 1.00 0.00 H new ATOM 0 HG SER A 67 78.750 7.889 -3.234 1.00 0.00 H new ATOM 972 N ASP A 68 77.495 4.475 -0.732 1.00 0.00 N ATOM 973 CA ASP A 68 77.293 3.854 0.609 1.00 0.00 C ATOM 974 C ASP A 68 76.452 4.772 1.501 1.00 0.00 C ATOM 975 O ASP A 68 75.584 4.323 2.222 1.00 0.00 O ATOM 976 CB ASP A 68 78.698 3.682 1.186 1.00 0.00 C ATOM 977 CG ASP A 68 79.335 5.054 1.410 1.00 0.00 C ATOM 978 OD1 ASP A 68 79.663 5.701 0.428 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.485 5.436 2.559 1.00 0.00 O ATOM 0 H ASP A 68 78.465 4.670 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 68 76.762 2.904 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.650 3.134 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.312 3.092 0.505 1.00 0.00 H new ATOM 984 N ASP A 69 76.701 6.051 1.458 1.00 0.00 N ATOM 985 CA ASP A 69 75.913 6.990 2.307 1.00 0.00 C ATOM 986 C ASP A 69 74.480 7.111 1.777 1.00 0.00 C ATOM 987 O ASP A 69 73.571 7.460 2.502 1.00 0.00 O ATOM 988 CB ASP A 69 76.643 8.331 2.202 1.00 0.00 C ATOM 989 CG ASP A 69 76.371 8.956 0.832 1.00 0.00 C ATOM 990 OD1 ASP A 69 75.229 9.296 0.575 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.311 9.085 0.064 1.00 0.00 O ATOM 0 H ASP A 69 77.414 6.487 0.873 1.00 0.00 H new ATOM 0 HA ASP A 69 75.839 6.648 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 69 76.308 9.002 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.714 8.185 2.341 1.00 0.00 H new ATOM 996 N GLU A 70 74.271 6.825 0.521 1.00 0.00 N ATOM 997 CA GLU A 70 72.894 6.926 -0.042 1.00 0.00 C ATOM 998 C GLU A 70 72.089 5.672 0.306 1.00 0.00 C ATOM 999 O GLU A 70 70.908 5.738 0.583 1.00 0.00 O ATOM 1000 CB GLU A 70 73.085 7.049 -1.554 1.00 0.00 C ATOM 1001 CG GLU A 70 72.715 8.468 -1.996 1.00 0.00 C ATOM 1002 CD GLU A 70 73.570 8.873 -3.199 1.00 0.00 C ATOM 1003 OE1 GLU A 70 74.536 8.182 -3.473 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.244 9.868 -3.824 1.00 0.00 O ATOM 0 H GLU A 70 74.991 6.527 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 70 72.344 7.776 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.119 6.830 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.461 6.320 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 70 71.658 8.514 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 70 72.871 9.167 -1.175 1.00 0.00 H new ATOM 1011 N ALA A 71 72.721 4.532 0.309 1.00 0.00 N ATOM 1012 CA ALA A 71 71.991 3.281 0.656 1.00 0.00 C ATOM 1013 C ALA A 71 71.786 3.227 2.169 1.00 0.00 C ATOM 1014 O ALA A 71 70.836 2.653 2.661 1.00 0.00 O ATOM 1015 CB ALA A 71 72.904 2.145 0.192 1.00 0.00 C ATOM 0 H ALA A 71 73.709 4.412 0.087 1.00 0.00 H new ATOM 0 HA ALA A 71 71.009 3.217 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.434 1.187 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.070 2.228 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.859 2.210 0.713 1.00 0.00 H new ATOM 1021 N GLN A 72 72.667 3.846 2.908 1.00 0.00 N ATOM 1022 CA GLN A 72 72.520 3.858 4.387 1.00 0.00 C ATOM 1023 C GLN A 72 71.392 4.814 4.752 1.00 0.00 C ATOM 1024 O GLN A 72 70.560 4.528 5.590 1.00 0.00 O ATOM 1025 CB GLN A 72 73.858 4.369 4.922 1.00 0.00 C ATOM 1026 CG GLN A 72 74.729 3.182 5.338 1.00 0.00 C ATOM 1027 CD GLN A 72 75.760 3.644 6.369 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.577 3.451 7.554 1.00 0.00 O ATOM 1029 NE2 GLN A 72 76.841 4.251 5.966 1.00 0.00 N ATOM 0 H GLN A 72 73.482 4.343 2.549 1.00 0.00 H new ATOM 0 HA GLN A 72 72.281 2.879 4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.367 4.957 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.693 5.029 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.108 2.391 5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.232 2.763 4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.994 4.413 4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.534 4.564 6.646 1.00 0.00 H new ATOM 1038 N THR A 73 71.347 5.940 4.099 1.00 0.00 N ATOM 1039 CA THR A 73 70.260 6.912 4.373 1.00 0.00 C ATOM 1040 C THR A 73 68.967 6.379 3.759 1.00 0.00 C ATOM 1041 O THR A 73 67.877 6.706 4.186 1.00 0.00 O ATOM 1042 CB THR A 73 70.696 8.209 3.688 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.904 8.672 4.277 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.606 9.267 3.853 1.00 0.00 C ATOM 0 H THR A 73 72.018 6.228 3.387 1.00 0.00 H new ATOM 0 HA THR A 73 70.084 7.073 5.437 1.00 0.00 H new ATOM 0 HB THR A 73 70.858 8.022 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.663 8.412 3.714 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.918 10.190 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.681 8.911 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.440 9.456 4.914 1.00 0.00 H new ATOM 1052 N LEU A 74 69.089 5.538 2.765 1.00 0.00 N ATOM 1053 CA LEU A 74 67.876 4.956 2.127 1.00 0.00 C ATOM 1054 C LEU A 74 67.279 3.899 3.057 1.00 0.00 C ATOM 1055 O LEU A 74 66.079 3.724 3.128 1.00 0.00 O ATOM 1056 CB LEU A 74 68.372 4.322 0.823 1.00 0.00 C ATOM 1057 CG LEU A 74 68.442 5.393 -0.269 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.218 4.852 -1.469 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.023 5.767 -0.708 1.00 0.00 C ATOM 0 H LEU A 74 69.977 5.230 2.369 1.00 0.00 H new ATOM 0 HA LEU A 74 67.100 5.697 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.355 3.876 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.701 3.519 0.518 1.00 0.00 H new ATOM 0 HG LEU A 74 68.948 6.276 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.267 5.616 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.228 4.585 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.713 3.969 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.072 6.529 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.518 4.883 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.468 6.155 0.146 1.00 0.00 H new ATOM 1071 N ALA A 75 68.112 3.202 3.782 1.00 0.00 N ATOM 1072 CA ALA A 75 67.598 2.167 4.722 1.00 0.00 C ATOM 1073 C ALA A 75 66.939 2.852 5.921 1.00 0.00 C ATOM 1074 O ALA A 75 65.819 2.550 6.284 1.00 0.00 O ATOM 1075 CB ALA A 75 68.831 1.375 5.162 1.00 0.00 C ATOM 0 H ALA A 75 69.127 3.305 3.763 1.00 0.00 H new ATOM 0 HA ALA A 75 66.851 1.518 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.531 0.592 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.304 0.924 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.538 2.045 5.652 1.00 0.00 H new ATOM 1081 N LYS A 76 67.618 3.788 6.527 1.00 0.00 N ATOM 1082 CA LYS A 76 67.015 4.504 7.687 1.00 0.00 C ATOM 1083 C LYS A 76 65.839 5.349 7.198 1.00 0.00 C ATOM 1084 O LYS A 76 64.939 5.678 7.945 1.00 0.00 O ATOM 1085 CB LYS A 76 68.132 5.392 8.237 1.00 0.00 C ATOM 1086 CG LYS A 76 68.765 6.179 7.091 1.00 0.00 C ATOM 1087 CD LYS A 76 68.656 7.678 7.379 1.00 0.00 C ATOM 1088 CE LYS A 76 69.875 8.133 8.187 1.00 0.00 C ATOM 1089 NZ LYS A 76 69.342 9.116 9.169 1.00 0.00 N ATOM 0 H LYS A 76 68.559 4.087 6.271 1.00 0.00 H new ATOM 0 HA LYS A 76 66.636 3.827 8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 76 67.732 6.076 8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 68.886 4.781 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 69.811 5.895 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 76 68.265 5.941 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.597 8.235 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 76 67.741 7.887 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.351 7.292 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.628 8.587 7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 70.120 9.473 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 68.901 9.909 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 68.633 8.654 9.773 1.00 0.00 H new ATOM 1103 N TRP A 77 65.839 5.693 5.937 1.00 0.00 N ATOM 1104 CA TRP A 77 64.722 6.504 5.377 1.00 0.00 C ATOM 1105 C TRP A 77 63.492 5.617 5.181 1.00 0.00 C ATOM 1106 O TRP A 77 62.370 6.037 5.386 1.00 0.00 O ATOM 1107 CB TRP A 77 65.237 7.011 4.030 1.00 0.00 C ATOM 1108 CG TRP A 77 64.104 7.607 3.257 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.514 8.790 3.538 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.417 7.073 2.087 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.508 9.017 2.615 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.409 7.988 1.701 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.569 5.897 1.332 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.582 7.746 0.604 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.738 5.650 0.227 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.746 6.573 -0.136 1.00 0.00 C ATOM 0 H TRP A 77 66.569 5.445 5.269 1.00 0.00 H new ATOM 0 HA TRP A 77 64.430 7.324 6.032 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.018 7.756 4.184 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.684 6.191 3.467 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.783 9.450 4.349 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.912 9.845 2.611 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.329 5.179 1.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.820 8.461 0.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.864 4.744 -0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.110 6.377 -0.987 1.00 0.00 H new ATOM 1127 N ILE A 78 63.697 4.389 4.790 1.00 0.00 N ATOM 1128 CA ILE A 78 62.543 3.470 4.584 1.00 0.00 C ATOM 1129 C ILE A 78 61.853 3.197 5.921 1.00 0.00 C ATOM 1130 O ILE A 78 60.644 3.253 6.032 1.00 0.00 O ATOM 1131 CB ILE A 78 63.154 2.181 4.030 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.670 2.414 2.605 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.090 1.082 4.010 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.876 1.510 2.348 1.00 0.00 C ATOM 0 H ILE A 78 64.614 3.983 4.604 1.00 0.00 H new ATOM 0 HA ILE A 78 61.795 3.888 3.911 1.00 0.00 H new ATOM 0 HB ILE A 78 63.986 1.878 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.882 2.202 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.950 3.459 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.524 0.163 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.729 0.907 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.259 1.392 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.244 1.674 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.665 1.743 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.580 0.467 2.462 1.00 0.00 H new ATOM 1146 N LEU A 79 62.615 2.901 6.940 1.00 0.00 N ATOM 1147 CA LEU A 79 62.006 2.626 8.273 1.00 0.00 C ATOM 1148 C LEU A 79 61.526 3.931 8.914 1.00 0.00 C ATOM 1149 O LEU A 79 60.792 3.925 9.881 1.00 0.00 O ATOM 1150 CB LEU A 79 63.133 2.003 9.101 1.00 0.00 C ATOM 1151 CG LEU A 79 63.262 0.518 8.753 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.621 0.263 8.096 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.152 -0.315 10.033 1.00 0.00 C ATOM 0 H LEU A 79 63.632 2.838 6.907 1.00 0.00 H new ATOM 0 HA LEU A 79 61.139 1.969 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.073 2.517 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.925 2.121 10.164 1.00 0.00 H new ATOM 0 HG LEU A 79 62.466 0.236 8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.713 -0.795 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.702 0.857 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.417 0.544 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.244 -1.373 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.949 -0.032 10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.185 -0.134 10.503 1.00 0.00 H new ATOM 1165 N SER A 80 61.938 5.050 8.381 1.00 0.00 N ATOM 1166 CA SER A 80 61.506 6.355 8.959 1.00 0.00 C ATOM 1167 C SER A 80 60.397 6.978 8.105 1.00 0.00 C ATOM 1168 O SER A 80 59.831 7.994 8.458 1.00 0.00 O ATOM 1169 CB SER A 80 62.756 7.232 8.934 1.00 0.00 C ATOM 1170 OG SER A 80 63.106 7.514 7.586 1.00 0.00 O ATOM 0 H SER A 80 62.554 5.117 7.571 1.00 0.00 H new ATOM 0 HA SER A 80 61.103 6.244 9.966 1.00 0.00 H new ATOM 0 HB2 SER A 80 62.574 8.160 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.580 6.725 9.437 1.00 0.00 H new ATOM 0 HG SER A 80 63.397 8.447 7.512 1.00 0.00 H new