USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 579 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 60 GLN : amide:sc= -2.18! K(o=-3.4!,f=-4.4) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.2 K(o=-3.4,f=-4.4) USER MOD Set 2.1: A 17 THR OG1 : rot -139:sc= 0.936 USER MOD Set 2.2: A 20 SER OG : rot 128:sc= 1.08 USER MOD Single : A 1 ALA N :NH3+ 133:sc= 0.0476 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -2.81! C(o=-2.8!,f=-8.1!) USER MOD Single : A 8 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 9 SER OG : rot -78:sc= 1.28 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.5) USER MOD Single : A 21 CYS SG : rot -1:sc= 0.352 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 74:sc= 1.2 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.00911 K(o=0.0091,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0818 (180deg=-0.391) USER MOD Single : A 37 SER OG : rot 180:sc= -0.261 USER MOD Single : A 38 MET CE :methyl -143:sc= -0.309 (180deg=-1.52!) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc=-0.00219 (180deg=-0.132) USER MOD Single : A 41 SER OG : rot 180:sc= 0.168 USER MOD Single : A 44 GLN : amide:sc= -0.0928 K(o=-0.093,f=-0.82) USER MOD Single : A 46 SER OG : rot 160:sc= -0.0349 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.736) USER MOD Single : A 51 TYR OH : rot 15:sc= -0.287 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 62 CYS SG : rot 75:sc= 0.0598 USER MOD Single : A 63 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.516 -12.332 -7.049 1.00 0.00 N ATOM 2 CA ALA A 1 10.321 -13.179 -6.971 1.00 0.00 C ATOM 3 C ALA A 1 10.393 -14.069 -5.747 1.00 0.00 C ATOM 4 O ALA A 1 11.474 -14.505 -5.356 1.00 0.00 O ATOM 5 CB ALA A 1 10.177 -14.016 -8.234 1.00 0.00 C ATOM 0 H1 ALA A 1 11.898 -12.359 -8.016 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.264 -11.353 -6.803 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.234 -12.682 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 1 9.443 -12.539 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.285 -14.638 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.088 -13.358 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.054 -14.652 -8.351 1.00 0.00 H new ATOM 13 N GLY A 2 9.250 -14.334 -5.142 1.00 0.00 N ATOM 14 CA GLY A 2 9.217 -15.160 -3.962 1.00 0.00 C ATOM 15 C GLY A 2 7.863 -15.773 -3.738 1.00 0.00 C ATOM 16 O GLY A 2 6.912 -15.472 -4.464 1.00 0.00 O ATOM 0 H GLY A 2 8.341 -13.989 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.962 -15.951 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.492 -14.562 -3.093 1.00 0.00 H new ATOM 20 N HIS A 3 7.766 -16.627 -2.740 1.00 0.00 N ATOM 21 CA HIS A 3 6.512 -17.292 -2.426 1.00 0.00 C ATOM 22 C HIS A 3 5.666 -16.384 -1.561 1.00 0.00 C ATOM 23 O HIS A 3 6.145 -15.879 -0.540 1.00 0.00 O ATOM 24 CB HIS A 3 6.768 -18.608 -1.696 1.00 0.00 C ATOM 25 CG HIS A 3 7.585 -19.584 -2.476 1.00 0.00 C ATOM 26 ND1 HIS A 3 8.957 -19.641 -2.391 1.00 0.00 N ATOM 27 CD2 HIS A 3 7.226 -20.537 -3.365 1.00 0.00 C ATOM 28 CE1 HIS A 3 9.406 -20.583 -3.194 1.00 0.00 C ATOM 29 NE2 HIS A 3 8.377 -21.143 -3.798 1.00 0.00 N ATOM 0 H HIS A 3 8.542 -16.880 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 3 5.987 -17.510 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.274 -18.397 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.811 -19.067 -1.448 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.220 -20.776 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.443 -20.852 -3.334 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.429 -21.903 -4.477 1.00 0.00 H new ATOM 37 N MET A 4 4.410 -16.186 -1.964 1.00 0.00 N ATOM 38 CA MET A 4 3.501 -15.271 -1.272 1.00 0.00 C ATOM 39 C MET A 4 4.153 -13.894 -1.190 1.00 0.00 C ATOM 40 O MET A 4 4.212 -13.268 -0.126 1.00 0.00 O ATOM 41 CB MET A 4 3.142 -15.798 0.131 1.00 0.00 C ATOM 42 CG MET A 4 1.986 -15.056 0.793 1.00 0.00 C ATOM 43 SD MET A 4 1.554 -15.732 2.408 1.00 0.00 S ATOM 44 CE MET A 4 0.156 -14.698 2.836 1.00 0.00 C ATOM 0 H MET A 4 3.997 -16.651 -2.772 1.00 0.00 H new ATOM 0 HA MET A 4 2.570 -15.197 -1.833 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.887 -16.855 0.057 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.021 -15.726 0.771 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.251 -14.005 0.904 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.113 -15.098 0.142 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.228 -14.991 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.471 -13.655 2.868 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.627 -14.817 2.088 1.00 0.00 H new ATOM 54 N GLN A 5 4.654 -13.443 -2.328 1.00 0.00 N ATOM 55 CA GLN A 5 5.359 -12.185 -2.411 1.00 0.00 C ATOM 56 C GLN A 5 4.400 -11.025 -2.240 1.00 0.00 C ATOM 57 O GLN A 5 3.417 -10.898 -2.977 1.00 0.00 O ATOM 58 CB GLN A 5 6.076 -12.076 -3.752 1.00 0.00 C ATOM 59 CG GLN A 5 6.944 -10.840 -3.889 1.00 0.00 C ATOM 60 CD GLN A 5 7.626 -10.761 -5.234 1.00 0.00 C ATOM 61 OE1 GLN A 5 7.906 -11.783 -5.863 1.00 0.00 O ATOM 62 NE2 GLN A 5 7.896 -9.558 -5.686 1.00 0.00 N ATOM 0 H GLN A 5 4.581 -13.941 -3.215 1.00 0.00 H new ATOM 0 HA GLN A 5 6.096 -12.147 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.697 -12.961 -3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.334 -12.076 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.331 -9.951 -3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.698 -10.840 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.647 -8.738 -5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.355 -9.444 -6.590 1.00 0.00 H new ATOM 71 N VAL A 6 4.688 -10.186 -1.273 1.00 0.00 N ATOM 72 CA VAL A 6 3.868 -9.038 -0.990 1.00 0.00 C ATOM 73 C VAL A 6 4.724 -7.781 -0.980 1.00 0.00 C ATOM 74 O VAL A 6 5.769 -7.728 -0.317 1.00 0.00 O ATOM 75 CB VAL A 6 3.139 -9.183 0.369 1.00 0.00 C ATOM 76 CG1 VAL A 6 2.282 -7.964 0.657 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.294 -10.448 0.398 1.00 0.00 C ATOM 0 H VAL A 6 5.499 -10.283 -0.661 1.00 0.00 H new ATOM 0 HA VAL A 6 3.113 -8.964 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 6 3.897 -9.259 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.781 -8.090 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.913 -7.076 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.536 -7.849 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.792 -10.528 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.549 -10.406 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.935 -11.317 0.249 1.00 0.00 H new ATOM 87 N ALA A 7 4.294 -6.784 -1.713 1.00 0.00 N ATOM 88 CA ALA A 7 5.008 -5.537 -1.792 1.00 0.00 C ATOM 89 C ALA A 7 4.352 -4.505 -0.905 1.00 0.00 C ATOM 90 O ALA A 7 3.123 -4.371 -0.895 1.00 0.00 O ATOM 91 CB ALA A 7 5.055 -5.044 -3.228 1.00 0.00 C ATOM 0 H ALA A 7 3.440 -6.815 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 7 6.030 -5.697 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.598 -4.100 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.561 -5.783 -3.850 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.039 -4.895 -3.595 1.00 0.00 H new ATOM 97 N THR A 8 5.157 -3.799 -0.145 1.00 0.00 N ATOM 98 CA THR A 8 4.655 -2.763 0.720 1.00 0.00 C ATOM 99 C THR A 8 5.340 -1.454 0.404 1.00 0.00 C ATOM 100 O THR A 8 6.551 -1.418 0.183 1.00 0.00 O ATOM 101 CB THR A 8 4.894 -3.099 2.209 1.00 0.00 C ATOM 102 OG1 THR A 8 6.303 -3.265 2.453 1.00 0.00 O ATOM 103 CG2 THR A 8 4.157 -4.370 2.607 1.00 0.00 C ATOM 0 H THR A 8 6.168 -3.927 -0.110 1.00 0.00 H new ATOM 0 HA THR A 8 3.582 -2.684 0.547 1.00 0.00 H new ATOM 0 HB THR A 8 4.511 -2.274 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.658 -2.458 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.342 -4.584 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.087 -4.236 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.513 -5.202 2.000 1.00 0.00 H new ATOM 111 N SER A 9 4.577 -0.398 0.372 1.00 0.00 N ATOM 112 CA SER A 9 5.111 0.917 0.121 1.00 0.00 C ATOM 113 C SER A 9 4.324 1.958 0.876 1.00 0.00 C ATOM 114 O SER A 9 3.168 1.729 1.250 1.00 0.00 O ATOM 115 CB SER A 9 5.117 1.234 -1.379 1.00 0.00 C ATOM 116 OG SER A 9 6.023 0.391 -2.074 1.00 0.00 O ATOM 0 H SER A 9 3.568 -0.421 0.519 1.00 0.00 H new ATOM 0 HA SER A 9 6.142 0.935 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.113 1.108 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.394 2.277 -1.533 1.00 0.00 H new ATOM 0 HG SER A 9 6.939 0.713 -1.939 1.00 0.00 H new ATOM 122 N THR A 10 4.943 3.083 1.113 1.00 0.00 N ATOM 123 CA THR A 10 4.286 4.174 1.767 1.00 0.00 C ATOM 124 C THR A 10 4.063 5.292 0.776 1.00 0.00 C ATOM 125 O THR A 10 4.928 5.581 -0.049 1.00 0.00 O ATOM 126 CB THR A 10 5.109 4.689 2.967 1.00 0.00 C ATOM 127 OG1 THR A 10 6.446 4.991 2.545 1.00 0.00 O ATOM 128 CG2 THR A 10 5.149 3.654 4.081 1.00 0.00 C ATOM 0 H THR A 10 5.914 3.265 0.858 1.00 0.00 H new ATOM 0 HA THR A 10 3.328 3.820 2.148 1.00 0.00 H new ATOM 0 HB THR A 10 4.631 5.592 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.964 5.319 3.309 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.735 4.040 4.915 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.134 3.442 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.607 2.737 3.710 1.00 0.00 H new ATOM 136 N VAL A 11 2.922 5.905 0.843 1.00 0.00 N ATOM 137 CA VAL A 11 2.599 6.971 -0.057 1.00 0.00 C ATOM 138 C VAL A 11 2.098 8.177 0.717 1.00 0.00 C ATOM 139 O VAL A 11 1.107 8.096 1.446 1.00 0.00 O ATOM 140 CB VAL A 11 1.556 6.513 -1.123 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.293 5.957 -0.472 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.215 7.646 -2.070 1.00 0.00 C ATOM 0 H VAL A 11 2.191 5.683 1.519 1.00 0.00 H new ATOM 0 HA VAL A 11 3.506 7.257 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 11 2.013 5.709 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.410 5.648 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.551 5.098 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.166 6.727 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.486 7.301 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.795 8.478 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.118 7.975 -2.584 1.00 0.00 H new ATOM 152 N ARG A 12 2.800 9.285 0.583 1.00 0.00 N ATOM 153 CA ARG A 12 2.419 10.490 1.289 1.00 0.00 C ATOM 154 C ARG A 12 1.326 11.199 0.525 1.00 0.00 C ATOM 155 O ARG A 12 1.285 11.135 -0.705 1.00 0.00 O ATOM 156 CB ARG A 12 3.617 11.420 1.501 1.00 0.00 C ATOM 157 CG ARG A 12 4.143 12.046 0.229 1.00 0.00 C ATOM 158 CD ARG A 12 5.412 12.845 0.483 1.00 0.00 C ATOM 159 NE ARG A 12 5.190 13.910 1.459 1.00 0.00 N ATOM 160 CZ ARG A 12 4.724 15.131 1.166 1.00 0.00 C ATOM 161 NH1 ARG A 12 4.441 15.467 -0.096 1.00 0.00 N ATOM 162 NH2 ARG A 12 4.543 16.014 2.139 1.00 0.00 N ATOM 0 H ARG A 12 3.630 9.375 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 12 2.048 10.208 2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.331 12.213 2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.421 10.858 1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.344 11.266 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.381 12.698 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.196 12.179 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.765 13.277 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 12 5.406 13.709 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.579 14.791 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.087 16.400 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.758 15.761 3.103 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.188 16.946 1.923 1.00 0.00 H new ATOM 176 N ILE A 13 0.462 11.878 1.233 1.00 0.00 N ATOM 177 CA ILE A 13 -0.638 12.564 0.602 1.00 0.00 C ATOM 178 C ILE A 13 -0.489 14.070 0.729 1.00 0.00 C ATOM 179 O ILE A 13 -0.002 14.582 1.739 1.00 0.00 O ATOM 180 CB ILE A 13 -2.002 12.117 1.189 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.052 12.375 2.704 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.257 10.644 0.882 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.402 12.097 3.331 1.00 0.00 C ATOM 0 H ILE A 13 0.498 11.972 2.248 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.616 12.297 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.789 12.707 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.301 11.755 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.781 13.413 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.218 10.346 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.270 10.494 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.466 10.038 1.323 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.356 12.303 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.155 12.736 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.668 11.052 3.174 1.00 0.00 H new ATOM 195 N LEU A 14 -0.875 14.762 -0.315 1.00 0.00 N ATOM 196 CA LEU A 14 -0.823 16.203 -0.357 1.00 0.00 C ATOM 197 C LEU A 14 -2.144 16.734 -0.881 1.00 0.00 C ATOM 198 O LEU A 14 -2.541 16.414 -2.008 1.00 0.00 O ATOM 199 CB LEU A 14 0.321 16.649 -1.274 1.00 0.00 C ATOM 200 CG LEU A 14 0.493 18.156 -1.457 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.835 18.824 -0.136 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.560 18.444 -2.497 1.00 0.00 C ATOM 0 H LEU A 14 -1.238 14.336 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.647 16.595 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.253 16.244 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.168 16.200 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.452 18.570 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.953 19.897 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.033 18.646 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.765 18.409 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.671 19.522 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.509 18.015 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.268 18.002 -3.450 1.00 0.00 H new ATOM 214 N GLY A 15 -2.832 17.531 -0.085 1.00 0.00 N ATOM 215 CA GLY A 15 -4.093 18.053 -0.533 1.00 0.00 C ATOM 216 C GLY A 15 -4.789 18.915 0.483 1.00 0.00 C ATOM 217 O GLY A 15 -4.333 19.051 1.625 1.00 0.00 O ATOM 0 H GLY A 15 -2.543 17.821 0.849 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.933 18.635 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.746 17.222 -0.799 1.00 0.00 H new ATOM 221 N MET A 16 -5.898 19.505 0.058 1.00 0.00 N ATOM 222 CA MET A 16 -6.712 20.366 0.904 1.00 0.00 C ATOM 223 C MET A 16 -7.272 19.603 2.101 1.00 0.00 C ATOM 224 O MET A 16 -7.181 20.061 3.237 1.00 0.00 O ATOM 225 CB MET A 16 -7.854 20.956 0.079 1.00 0.00 C ATOM 226 CG MET A 16 -8.780 21.877 0.850 1.00 0.00 C ATOM 227 SD MET A 16 -10.078 22.559 -0.196 1.00 0.00 S ATOM 228 CE MET A 16 -10.993 23.530 0.996 1.00 0.00 C ATOM 0 H MET A 16 -6.260 19.399 -0.890 1.00 0.00 H new ATOM 0 HA MET A 16 -6.080 21.168 1.287 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.431 21.508 -0.761 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.442 20.139 -0.340 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.231 21.328 1.677 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.201 22.691 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.833 24.017 0.501 1.00 0.00 H new ATOM 0 HE2 MET A 16 -11.366 22.879 1.786 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.338 24.287 1.428 1.00 0.00 H new ATOM 238 N THR A 17 -7.841 18.439 1.840 1.00 0.00 N ATOM 239 CA THR A 17 -8.415 17.623 2.888 1.00 0.00 C ATOM 240 C THR A 17 -7.893 16.188 2.823 1.00 0.00 C ATOM 241 O THR A 17 -8.079 15.486 1.822 1.00 0.00 O ATOM 242 CB THR A 17 -9.959 17.628 2.806 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.374 17.478 1.440 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.534 18.919 3.376 1.00 0.00 C ATOM 0 H THR A 17 -7.916 18.039 0.905 1.00 0.00 H new ATOM 0 HA THR A 17 -8.112 18.055 3.842 1.00 0.00 H new ATOM 0 HB THR A 17 -10.334 16.793 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.132 18.073 1.261 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.621 18.895 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.240 19.018 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.152 19.769 2.810 1.00 0.00 H new ATOM 252 N CYS A 18 -7.238 15.765 3.892 1.00 0.00 N ATOM 253 CA CYS A 18 -6.682 14.426 3.982 1.00 0.00 C ATOM 254 C CYS A 18 -7.787 13.370 3.986 1.00 0.00 C ATOM 255 O CYS A 18 -7.657 12.313 3.364 1.00 0.00 O ATOM 256 CB CYS A 18 -5.820 14.295 5.238 1.00 0.00 C ATOM 257 SG CYS A 18 -4.290 15.258 5.185 1.00 0.00 S ATOM 0 H CYS A 18 -7.077 16.339 4.720 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.058 14.259 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.405 14.610 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.571 13.244 5.387 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.630 15.085 6.291 1.00 0.00 H new ATOM 263 N GLN A 19 -8.877 13.669 4.673 1.00 0.00 N ATOM 264 CA GLN A 19 -9.977 12.727 4.805 1.00 0.00 C ATOM 265 C GLN A 19 -10.612 12.418 3.453 1.00 0.00 C ATOM 266 O GLN A 19 -10.961 11.272 3.169 1.00 0.00 O ATOM 267 CB GLN A 19 -11.034 13.262 5.770 1.00 0.00 C ATOM 268 CG GLN A 19 -10.539 13.395 7.200 1.00 0.00 C ATOM 269 CD GLN A 19 -9.931 12.113 7.727 1.00 0.00 C ATOM 270 OE1 GLN A 19 -8.723 11.907 7.630 1.00 0.00 O ATOM 271 NE2 GLN A 19 -10.752 11.252 8.285 1.00 0.00 N ATOM 0 H GLN A 19 -9.024 14.559 5.149 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.567 11.801 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.374 14.237 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.898 12.598 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.798 14.192 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.369 13.690 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.748 11.463 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.393 10.373 8.658 1.00 0.00 H new ATOM 280 N SER A 20 -10.742 13.435 2.620 1.00 0.00 N ATOM 281 CA SER A 20 -11.364 13.274 1.319 1.00 0.00 C ATOM 282 C SER A 20 -10.571 12.304 0.431 1.00 0.00 C ATOM 283 O SER A 20 -11.152 11.432 -0.222 1.00 0.00 O ATOM 284 CB SER A 20 -11.480 14.631 0.633 1.00 0.00 C ATOM 285 OG SER A 20 -12.287 15.518 1.395 1.00 0.00 O ATOM 0 H SER A 20 -10.424 14.383 2.822 1.00 0.00 H new ATOM 0 HA SER A 20 -12.358 12.852 1.469 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.487 15.061 0.499 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.910 14.505 -0.361 1.00 0.00 H new ATOM 0 HG SER A 20 -11.801 16.356 1.544 1.00 0.00 H new ATOM 291 N CYS A 21 -9.245 12.440 0.425 1.00 0.00 N ATOM 292 CA CYS A 21 -8.410 11.592 -0.413 1.00 0.00 C ATOM 293 C CYS A 21 -8.339 10.154 0.100 1.00 0.00 C ATOM 294 O CYS A 21 -8.394 9.212 -0.690 1.00 0.00 O ATOM 295 CB CYS A 21 -7.004 12.184 -0.580 1.00 0.00 C ATOM 296 SG CYS A 21 -6.104 12.450 0.958 1.00 0.00 S ATOM 0 H CYS A 21 -8.734 13.122 0.985 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.885 11.558 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.419 11.519 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.087 13.136 -1.105 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.848 12.096 1.963 1.00 0.00 H new ATOM 302 N VAL A 22 -8.256 9.978 1.423 1.00 0.00 N ATOM 303 CA VAL A 22 -8.146 8.635 1.981 1.00 0.00 C ATOM 304 C VAL A 22 -9.448 7.866 1.815 1.00 0.00 C ATOM 305 O VAL A 22 -9.441 6.652 1.646 1.00 0.00 O ATOM 306 CB VAL A 22 -7.703 8.627 3.473 1.00 0.00 C ATOM 307 CG1 VAL A 22 -6.326 9.255 3.627 1.00 0.00 C ATOM 308 CG2 VAL A 22 -8.716 9.332 4.361 1.00 0.00 C ATOM 0 H VAL A 22 -8.263 10.732 2.110 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.360 8.137 1.414 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.649 7.587 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.035 9.240 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.601 8.690 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.355 10.286 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.373 9.307 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.823 10.368 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.679 8.828 4.286 1.00 0.00 H new ATOM 318 N LYS A 23 -10.563 8.573 1.873 1.00 0.00 N ATOM 319 CA LYS A 23 -11.862 7.950 1.667 1.00 0.00 C ATOM 320 C LYS A 23 -12.052 7.557 0.198 1.00 0.00 C ATOM 321 O LYS A 23 -12.539 6.460 -0.114 1.00 0.00 O ATOM 322 CB LYS A 23 -12.985 8.877 2.142 1.00 0.00 C ATOM 323 CG LYS A 23 -14.379 8.279 2.019 1.00 0.00 C ATOM 324 CD LYS A 23 -15.440 9.221 2.567 1.00 0.00 C ATOM 325 CE LYS A 23 -15.325 9.366 4.081 1.00 0.00 C ATOM 326 NZ LYS A 23 -16.382 10.244 4.636 1.00 0.00 N ATOM 0 H LYS A 23 -10.597 9.575 2.060 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.904 7.038 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.806 9.142 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.946 9.802 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.591 8.060 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.419 7.332 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.338 10.199 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.430 8.845 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.390 8.382 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.346 9.773 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.268 10.316 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.305 11.191 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.316 9.843 4.418 1.00 0.00 H new ATOM 340 N SER A 24 -11.642 8.450 -0.699 1.00 0.00 N ATOM 341 CA SER A 24 -11.770 8.214 -2.131 1.00 0.00 C ATOM 342 C SER A 24 -10.943 7.002 -2.564 1.00 0.00 C ATOM 343 O SER A 24 -11.411 6.159 -3.334 1.00 0.00 O ATOM 344 CB SER A 24 -11.328 9.459 -2.905 1.00 0.00 C ATOM 345 OG SER A 24 -12.174 10.562 -2.619 1.00 0.00 O ATOM 0 H SER A 24 -11.218 9.345 -0.457 1.00 0.00 H new ATOM 0 HA SER A 24 -12.817 8.005 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.299 9.708 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.344 9.251 -3.975 1.00 0.00 H new ATOM 0 HG SER A 24 -11.981 10.898 -1.719 1.00 0.00 H new ATOM 351 N ILE A 25 -9.721 6.912 -2.054 1.00 0.00 N ATOM 352 CA ILE A 25 -8.850 5.794 -2.369 1.00 0.00 C ATOM 353 C ILE A 25 -9.344 4.517 -1.686 1.00 0.00 C ATOM 354 O ILE A 25 -9.183 3.421 -2.209 1.00 0.00 O ATOM 355 CB ILE A 25 -7.375 6.089 -1.967 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.424 5.059 -2.571 1.00 0.00 C ATOM 357 CG2 ILE A 25 -7.212 6.132 -0.455 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.964 5.425 -2.414 1.00 0.00 C ATOM 0 H ILE A 25 -9.314 7.601 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.879 5.648 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.120 7.071 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.601 4.092 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.650 4.944 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.171 6.340 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.847 6.916 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.501 5.171 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.344 4.650 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.772 6.377 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.723 5.512 -1.355 1.00 0.00 H new ATOM 370 N GLU A 26 -9.994 4.686 -0.532 1.00 0.00 N ATOM 371 CA GLU A 26 -10.484 3.565 0.259 1.00 0.00 C ATOM 372 C GLU A 26 -11.470 2.733 -0.547 1.00 0.00 C ATOM 373 O GLU A 26 -11.391 1.501 -0.561 1.00 0.00 O ATOM 374 CB GLU A 26 -11.171 4.090 1.525 1.00 0.00 C ATOM 375 CG GLU A 26 -11.639 3.010 2.485 1.00 0.00 C ATOM 376 CD GLU A 26 -10.493 2.202 3.044 1.00 0.00 C ATOM 377 OE1 GLU A 26 -9.548 2.807 3.597 1.00 0.00 O ATOM 378 OE2 GLU A 26 -10.528 0.960 2.934 1.00 0.00 O ATOM 0 H GLU A 26 -10.192 5.600 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.638 2.936 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.480 4.750 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.030 4.695 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.190 3.470 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.332 2.345 1.970 1.00 0.00 H new ATOM 385 N ASP A 27 -12.390 3.409 -1.229 1.00 0.00 N ATOM 386 CA ASP A 27 -13.387 2.714 -2.037 1.00 0.00 C ATOM 387 C ASP A 27 -12.744 1.908 -3.159 1.00 0.00 C ATOM 388 O ASP A 27 -13.007 0.716 -3.303 1.00 0.00 O ATOM 389 CB ASP A 27 -14.400 3.698 -2.626 1.00 0.00 C ATOM 390 CG ASP A 27 -15.426 3.005 -3.505 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.233 2.213 -2.972 1.00 0.00 O ATOM 392 OD2 ASP A 27 -15.417 3.232 -4.733 1.00 0.00 O ATOM 0 H ASP A 27 -12.466 4.426 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.906 2.023 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.910 4.220 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.874 4.453 -3.210 1.00 0.00 H new ATOM 397 N ARG A 28 -11.872 2.552 -3.926 1.00 0.00 N ATOM 398 CA ARG A 28 -11.226 1.896 -5.060 1.00 0.00 C ATOM 399 C ARG A 28 -10.305 0.758 -4.617 1.00 0.00 C ATOM 400 O ARG A 28 -10.265 -0.295 -5.250 1.00 0.00 O ATOM 401 CB ARG A 28 -10.481 2.906 -5.920 1.00 0.00 C ATOM 402 CG ARG A 28 -11.403 3.864 -6.656 1.00 0.00 C ATOM 403 CD ARG A 28 -10.623 4.831 -7.523 1.00 0.00 C ATOM 404 NE ARG A 28 -11.500 5.766 -8.226 1.00 0.00 N ATOM 405 CZ ARG A 28 -11.078 6.695 -9.085 1.00 0.00 C ATOM 406 NH1 ARG A 28 -9.795 6.770 -9.406 1.00 0.00 N ATOM 407 NH2 ARG A 28 -11.946 7.528 -9.645 1.00 0.00 N ATOM 0 H ARG A 28 -11.596 3.524 -3.785 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.013 1.449 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.802 3.479 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.868 2.372 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.098 3.297 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.001 4.421 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.921 5.389 -6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.033 4.272 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.502 5.704 -8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.128 6.117 -8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.474 7.481 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.938 7.459 -9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.621 8.238 -10.302 1.00 0.00 H new ATOM 421 N ILE A 29 -9.578 0.973 -3.528 1.00 0.00 N ATOM 422 CA ILE A 29 -8.720 -0.065 -2.960 1.00 0.00 C ATOM 423 C ILE A 29 -9.553 -1.272 -2.545 1.00 0.00 C ATOM 424 O ILE A 29 -9.191 -2.413 -2.816 1.00 0.00 O ATOM 425 CB ILE A 29 -7.911 0.464 -1.741 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.853 1.478 -2.195 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.268 -0.674 -0.959 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.818 0.912 -3.151 1.00 0.00 C ATOM 0 H ILE A 29 -9.564 1.856 -3.018 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.010 -0.364 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.610 0.967 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.354 2.318 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.342 1.872 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.711 -0.267 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.043 -1.347 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.589 -1.224 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.108 1.693 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.287 0.091 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.315 0.545 -4.049 1.00 0.00 H new ATOM 440 N SER A 30 -10.668 -1.007 -1.897 1.00 0.00 N ATOM 441 CA SER A 30 -11.577 -2.052 -1.476 1.00 0.00 C ATOM 442 C SER A 30 -12.134 -2.801 -2.697 1.00 0.00 C ATOM 443 O SER A 30 -12.279 -4.024 -2.679 1.00 0.00 O ATOM 444 CB SER A 30 -12.714 -1.453 -0.639 1.00 0.00 C ATOM 445 OG SER A 30 -13.607 -2.451 -0.171 1.00 0.00 O ATOM 0 H SER A 30 -10.969 -0.065 -1.648 1.00 0.00 H new ATOM 0 HA SER A 30 -11.033 -2.767 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.295 -0.914 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.263 -0.727 -1.239 1.00 0.00 H new ATOM 0 HG SER A 30 -14.317 -2.032 0.359 1.00 0.00 H new ATOM 451 N ASN A 31 -12.440 -2.051 -3.751 1.00 0.00 N ATOM 452 CA ASN A 31 -13.020 -2.618 -4.973 1.00 0.00 C ATOM 453 C ASN A 31 -12.027 -3.498 -5.721 1.00 0.00 C ATOM 454 O ASN A 31 -12.425 -4.446 -6.404 1.00 0.00 O ATOM 455 CB ASN A 31 -13.469 -1.501 -5.917 1.00 0.00 C ATOM 456 CG ASN A 31 -14.660 -0.730 -5.411 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.479 -1.244 -4.647 1.00 0.00 O ATOM 458 ND2 ASN A 31 -14.762 0.515 -5.828 1.00 0.00 N ATOM 0 H ASN A 31 -12.296 -1.042 -3.787 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.870 -3.226 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.639 -0.812 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.711 -1.932 -6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.542 1.094 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.061 0.900 -6.461 1.00 0.00 H new ATOM 465 N LEU A 32 -10.747 -3.202 -5.585 1.00 0.00 N ATOM 466 CA LEU A 32 -9.724 -3.935 -6.313 1.00 0.00 C ATOM 467 C LEU A 32 -9.054 -4.978 -5.433 1.00 0.00 C ATOM 468 O LEU A 32 -8.428 -4.653 -4.427 1.00 0.00 O ATOM 469 CB LEU A 32 -8.675 -2.965 -6.875 1.00 0.00 C ATOM 470 CG LEU A 32 -7.519 -3.604 -7.656 1.00 0.00 C ATOM 471 CD1 LEU A 32 -8.036 -4.342 -8.883 1.00 0.00 C ATOM 472 CD2 LEU A 32 -6.500 -2.549 -8.056 1.00 0.00 C ATOM 0 H LEU A 32 -10.391 -2.462 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.210 -4.455 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.180 -2.254 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.256 -2.394 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.029 -4.329 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.198 -4.786 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.725 -5.127 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.556 -3.642 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.687 -3.020 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.980 -1.799 -8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.101 -2.071 -7.161 1.00 0.00 H new ATOM 484 N LYS A 33 -9.187 -6.228 -5.818 1.00 0.00 N ATOM 485 CA LYS A 33 -8.571 -7.313 -5.091 1.00 0.00 C ATOM 486 C LYS A 33 -7.115 -7.472 -5.522 1.00 0.00 C ATOM 487 O LYS A 33 -6.754 -7.138 -6.653 1.00 0.00 O ATOM 488 CB LYS A 33 -9.341 -8.625 -5.277 1.00 0.00 C ATOM 489 CG LYS A 33 -8.814 -9.746 -4.399 1.00 0.00 C ATOM 490 CD LYS A 33 -9.618 -11.019 -4.535 1.00 0.00 C ATOM 491 CE LYS A 33 -9.057 -12.102 -3.628 1.00 0.00 C ATOM 492 NZ LYS A 33 -9.117 -11.707 -2.192 1.00 0.00 N ATOM 0 H LYS A 33 -9.721 -6.518 -6.637 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.600 -7.069 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.394 -8.458 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.283 -8.930 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.775 -9.948 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.826 -9.423 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.660 -10.827 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.600 -11.358 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.617 -13.025 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.023 -12.309 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.004 -12.551 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.353 -11.032 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.036 -11.262 -1.992 1.00 0.00 H new ATOM 506 N GLY A 34 -6.295 -7.993 -4.631 1.00 0.00 N ATOM 507 CA GLY A 34 -4.883 -8.125 -4.901 1.00 0.00 C ATOM 508 C GLY A 34 -4.074 -7.323 -3.926 1.00 0.00 C ATOM 509 O GLY A 34 -2.852 -7.461 -3.845 1.00 0.00 O ATOM 0 H GLY A 34 -6.586 -8.331 -3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.594 -9.174 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.670 -7.792 -5.917 1.00 0.00 H new ATOM 513 N ILE A 35 -4.756 -6.484 -3.180 1.00 0.00 N ATOM 514 CA ILE A 35 -4.138 -5.750 -2.115 1.00 0.00 C ATOM 515 C ILE A 35 -4.625 -6.319 -0.793 1.00 0.00 C ATOM 516 O ILE A 35 -5.798 -6.203 -0.441 1.00 0.00 O ATOM 517 CB ILE A 35 -4.399 -4.217 -2.214 1.00 0.00 C ATOM 518 CG1 ILE A 35 -3.800 -3.487 -1.001 1.00 0.00 C ATOM 519 CG2 ILE A 35 -5.885 -3.913 -2.365 1.00 0.00 C ATOM 520 CD1 ILE A 35 -3.740 -1.983 -1.153 1.00 0.00 C ATOM 0 H ILE A 35 -5.751 -6.296 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.057 -5.864 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.902 -3.849 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.390 -3.729 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.793 -3.864 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.031 -2.835 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.263 -4.387 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.425 -4.300 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.305 -1.544 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.125 -1.729 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.747 -1.591 -1.297 1.00 0.00 H new ATOM 532 N ILE A 36 -3.726 -6.975 -0.092 1.00 0.00 N ATOM 533 CA ILE A 36 -4.062 -7.667 1.133 1.00 0.00 C ATOM 534 C ILE A 36 -4.576 -6.711 2.202 1.00 0.00 C ATOM 535 O ILE A 36 -5.599 -6.969 2.827 1.00 0.00 O ATOM 536 CB ILE A 36 -2.853 -8.471 1.665 1.00 0.00 C ATOM 537 CG1 ILE A 36 -2.522 -9.608 0.692 1.00 0.00 C ATOM 538 CG2 ILE A 36 -3.142 -9.029 3.053 1.00 0.00 C ATOM 539 CD1 ILE A 36 -1.230 -10.324 1.003 1.00 0.00 C ATOM 0 H ILE A 36 -2.743 -7.044 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.866 -8.364 0.897 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.995 -7.803 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.338 -10.331 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.467 -9.204 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.277 -9.591 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.347 -8.208 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.009 -9.688 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.066 -11.114 0.270 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.403 -9.615 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.287 -10.760 2.000 1.00 0.00 H new ATOM 551 N SER A 37 -3.887 -5.611 2.402 1.00 0.00 N ATOM 552 CA SER A 37 -4.305 -4.653 3.397 1.00 0.00 C ATOM 553 C SER A 37 -3.719 -3.278 3.126 1.00 0.00 C ATOM 554 O SER A 37 -2.744 -3.138 2.385 1.00 0.00 O ATOM 555 CB SER A 37 -3.925 -5.145 4.800 1.00 0.00 C ATOM 556 OG SER A 37 -2.519 -5.301 4.930 1.00 0.00 O ATOM 0 H SER A 37 -3.040 -5.359 1.892 1.00 0.00 H new ATOM 0 HA SER A 37 -5.390 -4.560 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.285 -4.436 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.418 -6.096 5.000 1.00 0.00 H new ATOM 0 HG SER A 37 -2.307 -5.614 5.834 1.00 0.00 H new ATOM 562 N MET A 38 -4.328 -2.271 3.709 1.00 0.00 N ATOM 563 CA MET A 38 -3.856 -0.914 3.583 1.00 0.00 C ATOM 564 C MET A 38 -4.139 -0.158 4.864 1.00 0.00 C ATOM 565 O MET A 38 -5.260 -0.182 5.372 1.00 0.00 O ATOM 566 CB MET A 38 -4.533 -0.217 2.403 1.00 0.00 C ATOM 567 CG MET A 38 -4.084 1.222 2.202 1.00 0.00 C ATOM 568 SD MET A 38 -4.894 2.014 0.800 1.00 0.00 S ATOM 569 CE MET A 38 -4.164 3.645 0.868 1.00 0.00 C ATOM 0 H MET A 38 -5.165 -2.371 4.284 1.00 0.00 H new ATOM 0 HA MET A 38 -2.781 -0.930 3.402 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.329 -0.782 1.493 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.612 -0.234 2.554 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.292 1.793 3.107 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.005 1.244 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.912 4.390 0.597 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.806 3.841 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.329 3.699 0.170 1.00 0.00 H new ATOM 579 N LYS A 39 -3.135 0.501 5.385 1.00 0.00 N ATOM 580 CA LYS A 39 -3.284 1.274 6.600 1.00 0.00 C ATOM 581 C LYS A 39 -2.922 2.718 6.327 1.00 0.00 C ATOM 582 O LYS A 39 -1.968 2.993 5.606 1.00 0.00 O ATOM 583 CB LYS A 39 -2.394 0.704 7.714 1.00 0.00 C ATOM 584 CG LYS A 39 -2.770 -0.709 8.146 1.00 0.00 C ATOM 585 CD LYS A 39 -1.850 -1.218 9.247 1.00 0.00 C ATOM 586 CE LYS A 39 -2.234 -2.625 9.699 1.00 0.00 C ATOM 587 NZ LYS A 39 -2.106 -3.620 8.603 1.00 0.00 N ATOM 0 H LYS A 39 -2.197 0.520 4.985 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.321 1.219 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.358 0.706 7.374 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.446 1.364 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.802 -0.721 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.718 -1.379 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.820 -1.219 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.891 -0.539 10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.599 -2.923 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.261 -2.620 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.194 -4.580 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.857 -3.462 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.178 -3.516 8.146 1.00 0.00 H new ATOM 601 N VAL A 40 -3.671 3.637 6.890 1.00 0.00 N ATOM 602 CA VAL A 40 -3.409 5.045 6.670 1.00 0.00 C ATOM 603 C VAL A 40 -3.027 5.734 7.968 1.00 0.00 C ATOM 604 O VAL A 40 -3.578 5.433 9.031 1.00 0.00 O ATOM 605 CB VAL A 40 -4.629 5.776 6.030 1.00 0.00 C ATOM 606 CG1 VAL A 40 -4.961 5.185 4.668 1.00 0.00 C ATOM 607 CG2 VAL A 40 -5.849 5.723 6.944 1.00 0.00 C ATOM 0 H VAL A 40 -4.463 3.439 7.501 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.575 5.103 5.971 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.353 6.822 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.815 5.711 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.102 5.291 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.204 4.128 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.682 6.241 6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.124 4.684 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.614 6.206 7.892 1.00 0.00 H new ATOM 617 N SER A 41 -2.064 6.630 7.887 1.00 0.00 N ATOM 618 CA SER A 41 -1.639 7.380 9.038 1.00 0.00 C ATOM 619 C SER A 41 -1.848 8.861 8.791 1.00 0.00 C ATOM 620 O SER A 41 -1.129 9.481 8.003 1.00 0.00 O ATOM 621 CB SER A 41 -0.166 7.097 9.354 1.00 0.00 C ATOM 622 OG SER A 41 0.277 7.859 10.471 1.00 0.00 O ATOM 0 H SER A 41 -1.562 6.853 7.028 1.00 0.00 H new ATOM 0 HA SER A 41 -2.237 7.073 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.033 6.035 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.447 7.332 8.484 1.00 0.00 H new ATOM 0 HG SER A 41 1.219 7.658 10.651 1.00 0.00 H new ATOM 628 N LEU A 42 -2.847 9.414 9.444 1.00 0.00 N ATOM 629 CA LEU A 42 -3.157 10.829 9.331 1.00 0.00 C ATOM 630 C LEU A 42 -2.015 11.666 9.893 1.00 0.00 C ATOM 631 O LEU A 42 -1.651 12.703 9.337 1.00 0.00 O ATOM 632 CB LEU A 42 -4.469 11.155 10.065 1.00 0.00 C ATOM 633 CG LEU A 42 -5.781 10.693 9.389 1.00 0.00 C ATOM 634 CD1 LEU A 42 -5.829 9.182 9.211 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.971 11.156 10.200 1.00 0.00 C ATOM 0 H LEU A 42 -3.468 8.899 10.068 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.283 11.072 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.423 10.707 11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.521 12.235 10.204 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.816 11.142 8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.767 8.902 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.994 8.862 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.760 8.698 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.891 10.826 9.717 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.915 10.732 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.965 12.244 10.266 1.00 0.00 H new ATOM 647 N GLU A 43 -1.454 11.193 10.993 1.00 0.00 N ATOM 648 CA GLU A 43 -0.352 11.862 11.666 1.00 0.00 C ATOM 649 C GLU A 43 0.884 11.947 10.769 1.00 0.00 C ATOM 650 O GLU A 43 1.535 12.990 10.687 1.00 0.00 O ATOM 651 CB GLU A 43 -0.018 11.112 12.949 1.00 0.00 C ATOM 652 CG GLU A 43 1.118 11.707 13.747 1.00 0.00 C ATOM 653 CD GLU A 43 1.380 10.937 15.011 1.00 0.00 C ATOM 654 OE1 GLU A 43 1.709 9.736 14.924 1.00 0.00 O ATOM 655 OE2 GLU A 43 1.238 11.517 16.099 1.00 0.00 O ATOM 0 H GLU A 43 -1.751 10.329 11.447 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.658 12.881 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.908 11.079 13.577 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.233 10.082 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.021 11.721 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.884 12.742 13.995 1.00 0.00 H new ATOM 662 N GLN A 44 1.207 10.849 10.113 1.00 0.00 N ATOM 663 CA GLN A 44 2.357 10.804 9.223 1.00 0.00 C ATOM 664 C GLN A 44 2.060 11.518 7.907 1.00 0.00 C ATOM 665 O GLN A 44 2.960 12.068 7.268 1.00 0.00 O ATOM 666 CB GLN A 44 2.778 9.354 8.967 1.00 0.00 C ATOM 667 CG GLN A 44 4.073 9.207 8.178 1.00 0.00 C ATOM 668 CD GLN A 44 4.488 7.758 8.007 1.00 0.00 C ATOM 669 OE1 GLN A 44 4.206 6.917 8.856 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.154 7.458 6.910 1.00 0.00 N ATOM 0 H GLN A 44 0.689 9.973 10.178 1.00 0.00 H new ATOM 0 HA GLN A 44 3.182 11.325 9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.890 8.846 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.978 8.846 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.950 9.665 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.868 9.752 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.369 8.186 6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.455 6.498 6.742 1.00 0.00 H new ATOM 679 N GLY A 45 0.791 11.524 7.518 1.00 0.00 N ATOM 680 CA GLY A 45 0.417 12.098 6.245 1.00 0.00 C ATOM 681 C GLY A 45 0.784 11.161 5.122 1.00 0.00 C ATOM 682 O GLY A 45 1.003 11.578 3.986 1.00 0.00 O ATOM 0 H GLY A 45 0.017 11.142 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.655 12.295 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.920 13.056 6.108 1.00 0.00 H new ATOM 686 N SER A 46 0.850 9.883 5.457 1.00 0.00 N ATOM 687 CA SER A 46 1.249 8.858 4.528 1.00 0.00 C ATOM 688 C SER A 46 0.480 7.576 4.805 1.00 0.00 C ATOM 689 O SER A 46 0.062 7.317 5.941 1.00 0.00 O ATOM 690 CB SER A 46 2.760 8.616 4.645 1.00 0.00 C ATOM 691 OG SER A 46 3.214 7.623 3.739 1.00 0.00 O ATOM 0 H SER A 46 0.625 9.533 6.388 1.00 0.00 H new ATOM 0 HA SER A 46 1.022 9.183 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.292 9.549 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.000 8.313 5.664 1.00 0.00 H new ATOM 0 HG SER A 46 4.181 7.717 3.608 1.00 0.00 H new ATOM 697 N ALA A 47 0.273 6.795 3.773 1.00 0.00 N ATOM 698 CA ALA A 47 -0.443 5.551 3.890 1.00 0.00 C ATOM 699 C ALA A 47 0.447 4.391 3.492 1.00 0.00 C ATOM 700 O ALA A 47 1.293 4.522 2.611 1.00 0.00 O ATOM 701 CB ALA A 47 -1.691 5.581 3.024 1.00 0.00 C ATOM 0 H ALA A 47 0.597 7.005 2.829 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.742 5.417 4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.224 4.635 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.338 6.397 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.408 5.733 1.982 1.00 0.00 H new ATOM 707 N THR A 48 0.263 3.269 4.143 1.00 0.00 N ATOM 708 CA THR A 48 1.032 2.087 3.854 1.00 0.00 C ATOM 709 C THR A 48 0.167 1.094 3.101 1.00 0.00 C ATOM 710 O THR A 48 -0.929 0.745 3.552 1.00 0.00 O ATOM 711 CB THR A 48 1.537 1.422 5.154 1.00 0.00 C ATOM 712 OG1 THR A 48 2.332 2.355 5.898 1.00 0.00 O ATOM 713 CG2 THR A 48 2.373 0.188 4.836 1.00 0.00 C ATOM 0 H THR A 48 -0.424 3.151 4.888 1.00 0.00 H new ATOM 0 HA THR A 48 1.892 2.379 3.251 1.00 0.00 H new ATOM 0 HB THR A 48 0.673 1.120 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.649 1.930 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.719 -0.266 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.766 -0.530 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.232 0.477 4.231 1.00 0.00 H new ATOM 721 N VAL A 49 0.642 0.652 1.961 1.00 0.00 N ATOM 722 CA VAL A 49 -0.089 -0.306 1.170 1.00 0.00 C ATOM 723 C VAL A 49 0.619 -1.648 1.178 1.00 0.00 C ATOM 724 O VAL A 49 1.848 -1.718 1.092 1.00 0.00 O ATOM 725 CB VAL A 49 -0.290 0.181 -0.291 1.00 0.00 C ATOM 726 CG1 VAL A 49 -1.204 1.396 -0.329 1.00 0.00 C ATOM 727 CG2 VAL A 49 1.046 0.511 -0.943 1.00 0.00 C ATOM 0 H VAL A 49 1.534 0.942 1.560 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.075 -0.415 1.622 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.757 -0.628 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.333 1.722 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.175 1.134 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.761 2.203 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.878 0.850 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.542 1.299 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.675 -0.379 -0.954 1.00 0.00 H new ATOM 737 N LYS A 50 -0.156 -2.700 1.299 1.00 0.00 N ATOM 738 CA LYS A 50 0.361 -4.047 1.335 1.00 0.00 C ATOM 739 C LYS A 50 -0.395 -4.871 0.303 1.00 0.00 C ATOM 740 O LYS A 50 -1.565 -5.201 0.494 1.00 0.00 O ATOM 741 CB LYS A 50 0.168 -4.597 2.752 1.00 0.00 C ATOM 742 CG LYS A 50 0.810 -5.935 3.028 1.00 0.00 C ATOM 743 CD LYS A 50 0.670 -6.289 4.499 1.00 0.00 C ATOM 744 CE LYS A 50 1.389 -7.575 4.841 1.00 0.00 C ATOM 745 NZ LYS A 50 0.788 -8.744 4.166 1.00 0.00 N ATOM 0 H LYS A 50 -1.172 -2.644 1.376 1.00 0.00 H new ATOM 0 HA LYS A 50 1.424 -4.083 1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.566 -3.871 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.901 -4.681 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.342 -6.705 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.864 -5.905 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.069 -5.477 5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.386 -6.386 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.437 -7.491 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.365 -7.728 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.536 -9.463 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.068 -8.448 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.472 -9.146 3.493 1.00 0.00 H new ATOM 759 N TYR A 51 0.276 -5.211 -0.781 1.00 0.00 N ATOM 760 CA TYR A 51 -0.388 -5.829 -1.921 1.00 0.00 C ATOM 761 C TYR A 51 0.532 -6.775 -2.672 1.00 0.00 C ATOM 762 O TYR A 51 1.740 -6.772 -2.472 1.00 0.00 O ATOM 763 CB TYR A 51 -0.841 -4.721 -2.882 1.00 0.00 C ATOM 764 CG TYR A 51 0.321 -3.904 -3.425 1.00 0.00 C ATOM 765 CD1 TYR A 51 0.970 -4.274 -4.591 1.00 0.00 C ATOM 766 CD2 TYR A 51 0.785 -2.782 -2.750 1.00 0.00 C ATOM 767 CE1 TYR A 51 2.043 -3.559 -5.067 1.00 0.00 C ATOM 768 CE2 TYR A 51 1.859 -2.058 -3.229 1.00 0.00 C ATOM 769 CZ TYR A 51 2.483 -2.455 -4.387 1.00 0.00 C ATOM 770 OH TYR A 51 3.560 -1.751 -4.865 1.00 0.00 O ATOM 0 H TYR A 51 1.279 -5.071 -0.900 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.234 -6.406 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.386 -5.167 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.535 -4.059 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.627 -5.141 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.299 -2.471 -1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.538 -3.867 -5.976 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.206 -1.185 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 51 3.737 -2.014 -5.792 1.00 0.00 H new ATOM 780 N VAL A 52 -0.056 -7.586 -3.530 1.00 0.00 N ATOM 781 CA VAL A 52 0.707 -8.449 -4.405 1.00 0.00 C ATOM 782 C VAL A 52 1.203 -7.605 -5.582 1.00 0.00 C ATOM 783 O VAL A 52 0.392 -7.038 -6.326 1.00 0.00 O ATOM 784 CB VAL A 52 -0.161 -9.616 -4.937 1.00 0.00 C ATOM 785 CG1 VAL A 52 0.660 -10.552 -5.812 1.00 0.00 C ATOM 786 CG2 VAL A 52 -0.799 -10.376 -3.783 1.00 0.00 C ATOM 0 H VAL A 52 -1.067 -7.664 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 52 1.541 -8.880 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.956 -9.195 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.026 -11.362 -6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.060 -9.999 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.483 -10.966 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.405 -11.192 -4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.019 -10.781 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.431 -9.700 -3.207 1.00 0.00 H new ATOM 796 N PRO A 53 2.532 -7.505 -5.772 1.00 0.00 N ATOM 797 CA PRO A 53 3.125 -6.627 -6.797 1.00 0.00 C ATOM 798 C PRO A 53 2.693 -6.980 -8.216 1.00 0.00 C ATOM 799 O PRO A 53 2.577 -6.102 -9.075 1.00 0.00 O ATOM 800 CB PRO A 53 4.636 -6.839 -6.624 1.00 0.00 C ATOM 801 CG PRO A 53 4.760 -8.142 -5.910 1.00 0.00 C ATOM 802 CD PRO A 53 3.562 -8.235 -5.015 1.00 0.00 C ATOM 0 HA PRO A 53 2.805 -5.593 -6.666 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.144 -6.866 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.086 -6.029 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.786 -8.973 -6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.683 -8.185 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.273 -9.270 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.748 -7.780 -4.042 1.00 0.00 H new ATOM 810 N SER A 54 2.458 -8.252 -8.457 1.00 0.00 N ATOM 811 CA SER A 54 2.004 -8.704 -9.754 1.00 0.00 C ATOM 812 C SER A 54 0.610 -8.150 -10.070 1.00 0.00 C ATOM 813 O SER A 54 0.339 -7.720 -11.187 1.00 0.00 O ATOM 814 CB SER A 54 1.998 -10.238 -9.810 1.00 0.00 C ATOM 815 OG SER A 54 1.567 -10.709 -11.076 1.00 0.00 O ATOM 0 H SER A 54 2.575 -8.995 -7.768 1.00 0.00 H new ATOM 0 HA SER A 54 2.695 -8.329 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.999 -10.615 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.342 -10.629 -9.032 1.00 0.00 H new ATOM 0 HG SER A 54 1.575 -11.689 -11.081 1.00 0.00 H new ATOM 821 N VAL A 55 -0.261 -8.160 -9.071 1.00 0.00 N ATOM 822 CA VAL A 55 -1.648 -7.754 -9.253 1.00 0.00 C ATOM 823 C VAL A 55 -1.837 -6.228 -9.218 1.00 0.00 C ATOM 824 O VAL A 55 -2.515 -5.662 -10.075 1.00 0.00 O ATOM 825 CB VAL A 55 -2.561 -8.397 -8.182 1.00 0.00 C ATOM 826 CG1 VAL A 55 -4.009 -7.990 -8.394 1.00 0.00 C ATOM 827 CG2 VAL A 55 -2.419 -9.911 -8.185 1.00 0.00 C ATOM 0 H VAL A 55 -0.030 -8.447 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.931 -8.106 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.245 -8.031 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.633 -8.454 -7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.096 -6.906 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.339 -8.318 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.071 -10.339 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.699 -10.301 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.385 -10.180 -7.970 1.00 0.00 H new ATOM 837 N VAL A 56 -1.225 -5.569 -8.243 1.00 0.00 N ATOM 838 CA VAL A 56 -1.451 -4.136 -8.033 1.00 0.00 C ATOM 839 C VAL A 56 -0.192 -3.305 -8.285 1.00 0.00 C ATOM 840 O VAL A 56 0.903 -3.665 -7.852 1.00 0.00 O ATOM 841 CB VAL A 56 -1.975 -3.857 -6.596 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.195 -2.366 -6.369 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.260 -4.630 -6.334 1.00 0.00 C ATOM 0 H VAL A 56 -0.572 -5.996 -7.586 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.206 -3.836 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.215 -4.197 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.561 -2.202 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.253 -1.834 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.928 -1.993 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.611 -4.421 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.021 -4.325 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.070 -5.698 -6.439 1.00 0.00 H new ATOM 853 N CYS A 57 -0.352 -2.213 -9.023 1.00 0.00 N ATOM 854 CA CYS A 57 0.746 -1.306 -9.292 1.00 0.00 C ATOM 855 C CYS A 57 0.547 0.011 -8.530 1.00 0.00 C ATOM 856 O CYS A 57 -0.589 0.453 -8.313 1.00 0.00 O ATOM 857 CB CYS A 57 0.882 -1.049 -10.795 1.00 0.00 C ATOM 858 SG CYS A 57 -0.553 -0.263 -11.558 1.00 0.00 S ATOM 0 H CYS A 57 -1.238 -1.937 -9.446 1.00 0.00 H new ATOM 0 HA CYS A 57 1.670 -1.769 -8.945 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.757 -0.421 -10.965 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.069 -1.998 -11.297 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.330 -0.091 -12.827 1.00 0.00 H new ATOM 864 N LEU A 58 1.652 0.627 -8.133 1.00 0.00 N ATOM 865 CA LEU A 58 1.628 1.856 -7.335 1.00 0.00 C ATOM 866 C LEU A 58 1.013 3.045 -8.071 1.00 0.00 C ATOM 867 O LEU A 58 0.258 3.821 -7.478 1.00 0.00 O ATOM 868 CB LEU A 58 3.038 2.204 -6.870 1.00 0.00 C ATOM 869 CG LEU A 58 3.637 1.263 -5.828 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.108 1.564 -5.622 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.883 1.386 -4.510 1.00 0.00 C ATOM 0 H LEU A 58 2.591 0.294 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 58 0.987 1.656 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.695 2.220 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.028 3.214 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 58 3.542 0.240 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.518 0.883 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.641 1.434 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.224 2.592 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.321 0.709 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.952 2.411 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.836 1.126 -4.664 1.00 0.00 H new ATOM 883 N GLN A 59 1.320 3.182 -9.355 1.00 0.00 N ATOM 884 CA GLN A 59 0.831 4.317 -10.135 1.00 0.00 C ATOM 885 C GLN A 59 -0.686 4.330 -10.227 1.00 0.00 C ATOM 886 O GLN A 59 -1.305 5.387 -10.136 1.00 0.00 O ATOM 887 CB GLN A 59 1.458 4.341 -11.522 1.00 0.00 C ATOM 888 CG GLN A 59 2.936 4.689 -11.504 1.00 0.00 C ATOM 889 CD GLN A 59 3.587 4.559 -12.861 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.186 3.735 -13.689 1.00 0.00 O ATOM 891 NE2 GLN A 59 4.597 5.367 -13.099 1.00 0.00 N ATOM 0 H GLN A 59 1.901 2.527 -9.878 1.00 0.00 H new ATOM 0 HA GLN A 59 1.134 5.222 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.327 3.365 -11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.928 5.065 -12.141 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.059 5.710 -11.144 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.449 4.037 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.896 6.033 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.081 5.328 -13.996 1.00 0.00 H new ATOM 900 N GLN A 60 -1.283 3.160 -10.391 1.00 0.00 N ATOM 901 CA GLN A 60 -2.734 3.054 -10.458 1.00 0.00 C ATOM 902 C GLN A 60 -3.356 3.536 -9.143 1.00 0.00 C ATOM 903 O GLN A 60 -4.357 4.248 -9.141 1.00 0.00 O ATOM 904 CB GLN A 60 -3.142 1.604 -10.783 1.00 0.00 C ATOM 905 CG GLN A 60 -4.643 1.373 -10.946 1.00 0.00 C ATOM 906 CD GLN A 60 -5.356 1.090 -9.633 1.00 0.00 C ATOM 907 OE1 GLN A 60 -6.507 1.466 -9.448 1.00 0.00 O ATOM 908 NE2 GLN A 60 -4.684 0.404 -8.724 1.00 0.00 N ATOM 0 H GLN A 60 -0.788 2.273 -10.480 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.110 3.693 -11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.642 1.300 -11.702 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.774 0.953 -9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.090 2.251 -11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.803 0.536 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.727 0.108 -8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.123 0.171 -7.833 1.00 0.00 H new ATOM 917 N VAL A 61 -2.735 3.152 -8.034 1.00 0.00 N ATOM 918 CA VAL A 61 -3.182 3.570 -6.704 1.00 0.00 C ATOM 919 C VAL A 61 -3.065 5.098 -6.554 1.00 0.00 C ATOM 920 O VAL A 61 -3.994 5.778 -6.076 1.00 0.00 O ATOM 921 CB VAL A 61 -2.348 2.867 -5.600 1.00 0.00 C ATOM 922 CG1 VAL A 61 -2.676 3.417 -4.224 1.00 0.00 C ATOM 923 CG2 VAL A 61 -2.572 1.363 -5.641 1.00 0.00 C ATOM 0 H VAL A 61 -1.914 2.547 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.227 3.281 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.295 3.070 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.075 2.903 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.456 4.484 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.733 3.259 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.980 0.886 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.628 1.148 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.269 0.976 -6.614 1.00 0.00 H new ATOM 933 N CYS A 62 -1.939 5.629 -7.004 1.00 0.00 N ATOM 934 CA CYS A 62 -1.684 7.059 -6.951 1.00 0.00 C ATOM 935 C CYS A 62 -2.717 7.807 -7.782 1.00 0.00 C ATOM 936 O CYS A 62 -3.182 8.876 -7.400 1.00 0.00 O ATOM 937 CB CYS A 62 -0.272 7.369 -7.450 1.00 0.00 C ATOM 938 SG CYS A 62 1.038 6.794 -6.344 1.00 0.00 S ATOM 0 H CYS A 62 -1.180 5.084 -7.414 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.763 7.389 -5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.134 6.911 -8.429 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.173 8.446 -7.585 1.00 0.00 H new ATOM 0 HG CYS A 62 1.157 5.504 -6.447 1.00 0.00 H new ATOM 944 N HIS A 63 -3.082 7.226 -8.915 1.00 0.00 N ATOM 945 CA HIS A 63 -4.065 7.828 -9.805 1.00 0.00 C ATOM 946 C HIS A 63 -5.444 7.857 -9.159 1.00 0.00 C ATOM 947 O HIS A 63 -6.265 8.711 -9.483 1.00 0.00 O ATOM 948 CB HIS A 63 -4.134 7.084 -11.141 1.00 0.00 C ATOM 949 CG HIS A 63 -2.929 7.263 -12.012 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.737 6.555 -13.178 1.00 0.00 N ATOM 951 CD2 HIS A 63 -1.846 8.067 -11.884 1.00 0.00 C ATOM 952 CE1 HIS A 63 -1.591 6.916 -13.726 1.00 0.00 C ATOM 953 NE2 HIS A 63 -1.033 7.829 -12.962 1.00 0.00 N ATOM 0 H HIS A 63 -2.710 6.334 -9.241 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.744 8.852 -9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.270 6.021 -10.944 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.015 7.423 -11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -1.658 8.765 -11.082 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.181 6.527 -14.646 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.139 8.286 -13.142 1.00 0.00 H new ATOM 961 N GLN A 64 -5.693 6.928 -8.231 1.00 0.00 N ATOM 962 CA GLN A 64 -6.985 6.861 -7.557 1.00 0.00 C ATOM 963 C GLN A 64 -7.256 8.149 -6.802 1.00 0.00 C ATOM 964 O GLN A 64 -8.360 8.689 -6.854 1.00 0.00 O ATOM 965 CB GLN A 64 -7.039 5.674 -6.591 1.00 0.00 C ATOM 966 CG GLN A 64 -7.065 4.318 -7.269 1.00 0.00 C ATOM 967 CD GLN A 64 -7.030 3.179 -6.272 1.00 0.00 C ATOM 968 OE1 GLN A 64 -7.479 3.317 -5.143 1.00 0.00 O ATOM 969 NE2 GLN A 64 -6.524 2.044 -6.691 1.00 0.00 N ATOM 0 H GLN A 64 -5.021 6.220 -7.934 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.753 6.724 -8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.174 5.720 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.925 5.771 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.964 4.236 -7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.213 4.235 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.159 1.968 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.496 1.237 -6.067 1.00 0.00 H new ATOM 978 N ILE A 65 -6.247 8.651 -6.109 1.00 0.00 N ATOM 979 CA ILE A 65 -6.394 9.924 -5.407 1.00 0.00 C ATOM 980 C ILE A 65 -6.053 11.101 -6.318 1.00 0.00 C ATOM 981 O ILE A 65 -6.555 12.216 -6.134 1.00 0.00 O ATOM 982 CB ILE A 65 -5.560 9.982 -4.110 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.080 9.737 -4.394 1.00 0.00 C ATOM 984 CG2 ILE A 65 -6.081 8.977 -3.111 1.00 0.00 C ATOM 985 CD1 ILE A 65 -3.203 9.875 -3.174 1.00 0.00 C ATOM 0 H ILE A 65 -5.332 8.210 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.443 10.000 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.657 10.982 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.958 8.736 -4.808 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.743 10.440 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.485 9.027 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.121 9.203 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.013 7.975 -3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.165 9.688 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.295 10.884 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.514 9.153 -2.419 1.00 0.00 H new ATOM 997 N GLY A 66 -5.215 10.833 -7.314 1.00 0.00 N ATOM 998 CA GLY A 66 -4.819 11.846 -8.277 1.00 0.00 C ATOM 999 C GLY A 66 -5.996 12.389 -9.064 1.00 0.00 C ATOM 1000 O GLY A 66 -6.040 13.577 -9.389 1.00 0.00 O ATOM 0 H GLY A 66 -4.797 9.916 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.325 12.666 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.089 11.422 -8.967 1.00 0.00 H new ATOM 1004 N ASP A 67 -6.953 11.516 -9.368 1.00 0.00 N ATOM 1005 CA ASP A 67 -8.164 11.901 -10.109 1.00 0.00 C ATOM 1006 C ASP A 67 -8.927 12.982 -9.374 1.00 0.00 C ATOM 1007 O ASP A 67 -9.476 13.895 -9.988 1.00 0.00 O ATOM 1008 CB ASP A 67 -9.094 10.700 -10.311 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.577 9.687 -11.303 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -7.785 10.059 -12.190 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -8.979 8.508 -11.211 1.00 0.00 O ATOM 0 H ASP A 67 -6.918 10.529 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.838 12.276 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.249 10.208 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.067 11.059 -10.646 1.00 0.00 H new ATOM 1016 N MET A 68 -8.946 12.884 -8.057 1.00 0.00 N ATOM 1017 CA MET A 68 -9.671 13.836 -7.224 1.00 0.00 C ATOM 1018 C MET A 68 -8.887 15.133 -7.034 1.00 0.00 C ATOM 1019 O MET A 68 -9.337 16.040 -6.339 1.00 0.00 O ATOM 1020 CB MET A 68 -10.022 13.218 -5.871 1.00 0.00 C ATOM 1021 CG MET A 68 -10.968 12.032 -5.962 1.00 0.00 C ATOM 1022 SD MET A 68 -12.555 12.466 -6.705 1.00 0.00 S ATOM 1023 CE MET A 68 -13.387 10.879 -6.667 1.00 0.00 C ATOM 0 H MET A 68 -8.465 12.151 -7.535 1.00 0.00 H new ATOM 0 HA MET A 68 -10.597 14.083 -7.744 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.103 12.900 -5.379 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.474 13.983 -5.240 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.500 11.242 -6.550 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.137 11.629 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.385 10.981 -7.094 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.816 10.155 -7.248 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.467 10.535 -5.636 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.715 15.215 -7.651 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.919 16.424 -7.566 1.00 0.00 C ATOM 1035 C GLY A 69 -5.916 16.392 -6.441 1.00 0.00 C ATOM 1036 O GLY A 69 -5.298 17.408 -6.122 1.00 0.00 O ATOM 0 H GLY A 69 -7.302 14.467 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.394 16.573 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.581 17.279 -7.431 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.743 15.237 -5.836 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.807 15.104 -4.743 1.00 0.00 C ATOM 1042 C PHE A 70 -3.498 14.518 -5.241 1.00 0.00 C ATOM 1043 O PHE A 70 -3.490 13.619 -6.080 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.401 14.246 -3.625 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.645 14.837 -3.022 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.578 15.995 -2.276 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.879 14.242 -3.215 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.714 16.552 -1.723 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -9.023 14.791 -2.666 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.939 15.949 -1.918 1.00 0.00 C ATOM 0 H PHE A 70 -6.237 14.379 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.606 16.094 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.631 13.256 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.654 14.112 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.622 16.474 -2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.950 13.338 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.643 17.458 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.980 14.315 -2.822 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.830 16.381 -1.487 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.398 15.044 -4.745 1.00 0.00 N ATOM 1061 CA GLU A 71 -1.080 14.597 -5.165 1.00 0.00 C ATOM 1062 C GLU A 71 -0.488 13.648 -4.131 1.00 0.00 C ATOM 1063 O GLU A 71 -0.798 13.745 -2.943 1.00 0.00 O ATOM 1064 CB GLU A 71 -0.143 15.791 -5.365 1.00 0.00 C ATOM 1065 CG GLU A 71 1.230 15.402 -5.886 1.00 0.00 C ATOM 1066 CD GLU A 71 2.176 16.565 -5.983 1.00 0.00 C ATOM 1067 OE1 GLU A 71 2.103 17.317 -6.969 1.00 0.00 O ATOM 1068 OE2 GLU A 71 3.023 16.719 -5.075 1.00 0.00 O ATOM 0 H GLU A 71 -2.388 15.787 -4.046 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.187 14.071 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.603 16.491 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.028 16.316 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.660 14.646 -5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.123 14.946 -6.870 1.00 0.00 H new ATOM 1075 N ALA A 72 0.357 12.737 -4.580 1.00 0.00 N ATOM 1076 CA ALA A 72 0.976 11.776 -3.696 1.00 0.00 C ATOM 1077 C ALA A 72 2.397 11.459 -4.135 1.00 0.00 C ATOM 1078 O ALA A 72 2.756 11.655 -5.295 1.00 0.00 O ATOM 1079 CB ALA A 72 0.151 10.514 -3.660 1.00 0.00 C ATOM 0 H ALA A 72 0.629 12.646 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 72 1.023 12.209 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.620 9.791 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.851 10.745 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.087 10.093 -4.663 1.00 0.00 H new ATOM 1085 N SER A 73 3.209 10.998 -3.197 1.00 0.00 N ATOM 1086 CA SER A 73 4.574 10.602 -3.495 1.00 0.00 C ATOM 1087 C SER A 73 4.834 9.208 -2.938 1.00 0.00 C ATOM 1088 O SER A 73 4.300 8.844 -1.888 1.00 0.00 O ATOM 1089 CB SER A 73 5.569 11.611 -2.925 1.00 0.00 C ATOM 1090 OG SER A 73 5.308 12.911 -3.426 1.00 0.00 O ATOM 0 H SER A 73 2.943 10.889 -2.218 1.00 0.00 H new ATOM 0 HA SER A 73 4.709 10.581 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.506 11.616 -1.837 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.585 11.313 -3.184 1.00 0.00 H new ATOM 0 HG SER A 73 5.955 13.543 -3.048 1.00 0.00 H new ATOM 1096 N ILE A 74 5.661 8.448 -3.624 1.00 0.00 N ATOM 1097 CA ILE A 74 5.909 7.063 -3.262 1.00 0.00 C ATOM 1098 C ILE A 74 7.237 6.894 -2.529 1.00 0.00 C ATOM 1099 O ILE A 74 8.290 7.326 -3.005 1.00 0.00 O ATOM 1100 CB ILE A 74 5.918 6.166 -4.520 1.00 0.00 C ATOM 1101 CG1 ILE A 74 4.573 6.256 -5.249 1.00 0.00 C ATOM 1102 CG2 ILE A 74 6.226 4.723 -4.146 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.567 5.579 -6.604 1.00 0.00 C ATOM 0 H ILE A 74 6.178 8.767 -4.443 1.00 0.00 H new ATOM 0 HA ILE A 74 5.101 6.763 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 74 6.700 6.521 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.801 5.806 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.309 7.306 -5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.228 4.107 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.205 4.672 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.466 4.356 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.582 5.684 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.315 6.044 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.799 4.521 -6.483 1.00 0.00 H new ATOM 1115 N ALA A 75 7.168 6.263 -1.377 1.00 0.00 N ATOM 1116 CA ALA A 75 8.333 5.959 -0.579 1.00 0.00 C ATOM 1117 C ALA A 75 8.321 4.475 -0.221 1.00 0.00 C ATOM 1118 O ALA A 75 7.260 3.846 -0.234 1.00 0.00 O ATOM 1119 CB ALA A 75 8.361 6.821 0.675 1.00 0.00 C ATOM 0 H ALA A 75 6.291 5.944 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 75 9.234 6.180 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.246 6.578 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.391 7.873 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.467 6.630 1.268 1.00 0.00 H new ATOM 1125 N GLU A 76 9.492 3.931 0.085 1.00 0.00 N ATOM 1126 CA GLU A 76 9.665 2.507 0.389 1.00 0.00 C ATOM 1127 C GLU A 76 9.475 1.669 -0.874 1.00 0.00 C ATOM 1128 O GLU A 76 8.401 1.072 -1.054 1.00 0.00 O ATOM 1129 CB GLU A 76 8.724 2.032 1.521 1.00 0.00 C ATOM 1130 CG GLU A 76 9.020 0.616 2.009 1.00 0.00 C ATOM 1131 CD GLU A 76 8.108 0.162 3.133 1.00 0.00 C ATOM 1132 OE1 GLU A 76 7.911 0.936 4.095 1.00 0.00 O ATOM 1133 OE2 GLU A 76 7.607 -0.988 3.074 1.00 0.00 O ATOM 1134 OXT GLU A 76 10.410 1.634 -1.699 1.00 0.00 O ATOM 0 H GLU A 76 10.359 4.466 0.131 1.00 0.00 H new ATOM 0 HA GLU A 76 10.684 2.369 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.804 2.721 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.694 2.078 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.925 -0.076 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.055 0.566 2.348 1.00 0.00 H new TER 1141 GLU A 76