USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 40 GLN : amide:sc= -0.656 K(o=-0.66,f=-4.7!) USER MOD Set 1.2: A 44 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0.827 USER MOD Set 2.2: A 7 THR OG1 : rot 130:sc= 0.946 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0629 (180deg=-0.0794) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= -0.033 (180deg=-0.27) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 17 GLN : amide:sc= -2.69 K(o=-2.7,f=-6.5!) USER MOD Single : A 18 ASN : amide:sc= 0.431 K(o=0.43,f=-1.4!) USER MOD Single : A 19 MET CE :methyl -157:sc= -0.171 (180deg=-0.73) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0486) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.226 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.82! C(o=-1.8!,f=-6.8!) USER MOD Single : A 49 HIS : no HE2:sc= 0.943 K(o=0.94,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.852! K(o=-0.85!,f=-2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.532 -1.105 0.382 1.00 0.00 N ATOM 2 CA MET A 1 -23.367 -0.171 0.357 1.00 52.33 C ATOM 3 C MET A 1 -22.099 -0.862 -0.160 1.00 72.42 C ATOM 4 O MET A 1 -22.085 -2.075 -0.373 1.00 51.43 O ATOM 5 CB MET A 1 -23.103 0.392 1.762 1.00 60.31 C ATOM 6 CG MET A 1 -24.232 1.250 2.310 1.00 75.03 C ATOM 7 SD MET A 1 -23.856 1.915 3.946 1.00 10.42 S ATOM 8 CE MET A 1 -25.379 2.785 4.312 1.00 11.54 C ATOM 0 H1 MET A 1 -25.312 -0.703 -0.176 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.252 -2.021 -0.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.845 -1.243 1.364 1.00 0.00 H new ATOM 0 HA MET A 1 -23.617 0.642 -0.324 1.00 52.33 H new ATOM 0 HB2 MET A 1 -22.926 -0.438 2.447 1.00 60.31 H new ATOM 0 HB3 MET A 1 -22.189 0.985 1.738 1.00 60.31 H new ATOM 0 HG2 MET A 1 -24.427 2.073 1.622 1.00 75.03 H new ATOM 0 HG3 MET A 1 -25.144 0.656 2.363 1.00 75.03 H new ATOM 0 HE1 MET A 1 -25.304 3.252 5.294 1.00 11.54 H new ATOM 0 HE2 MET A 1 -25.550 3.553 3.557 1.00 11.54 H new ATOM 0 HE3 MET A 1 -26.211 2.080 4.308 1.00 11.54 H new ATOM 20 N SER A 2 -21.039 -0.083 -0.364 1.00 0.05 N ATOM 21 CA SER A 2 -19.731 -0.626 -0.763 1.00 3.10 C ATOM 22 C SER A 2 -18.598 0.075 -0.004 1.00 2.12 C ATOM 23 O SER A 2 -18.550 1.304 0.062 1.00 31.01 O ATOM 24 CB SER A 2 -19.507 -0.470 -2.273 1.00 75.34 C ATOM 25 OG SER A 2 -18.236 -0.972 -2.653 1.00 43.20 O ATOM 0 H SER A 2 -21.055 0.932 -0.260 1.00 0.05 H new ATOM 0 HA SER A 2 -19.726 -1.687 -0.514 1.00 3.10 H new ATOM 0 HB2 SER A 2 -20.289 -1.000 -2.817 1.00 75.34 H new ATOM 0 HB3 SER A 2 -19.584 0.582 -2.549 1.00 75.34 H new ATOM 0 HG SER A 2 -18.117 -0.863 -3.620 1.00 43.20 H new ATOM 31 N GLU A 3 -17.692 -0.708 0.573 1.00 14.23 N ATOM 32 CA GLU A 3 -16.573 -0.161 1.351 1.00 44.44 C ATOM 33 C GLU A 3 -15.244 -0.831 0.960 1.00 35.14 C ATOM 34 O GLU A 3 -14.272 -0.815 1.719 1.00 25.33 O ATOM 35 CB GLU A 3 -16.849 -0.349 2.849 1.00 21.34 C ATOM 36 CG GLU A 3 -16.965 -1.809 3.273 1.00 14.51 C ATOM 37 CD GLU A 3 -17.523 -1.973 4.676 1.00 40.23 C ATOM 38 OE1 GLU A 3 -16.758 -1.816 5.652 1.00 53.54 O ATOM 39 OE2 GLU A 3 -18.730 -2.271 4.809 1.00 10.44 O ATOM 0 H GLU A 3 -17.706 -1.726 0.519 1.00 14.23 H new ATOM 0 HA GLU A 3 -16.484 0.903 1.131 1.00 44.44 H new ATOM 0 HB2 GLU A 3 -16.049 0.123 3.419 1.00 21.34 H new ATOM 0 HB3 GLU A 3 -17.772 0.169 3.107 1.00 21.34 H new ATOM 0 HG2 GLU A 3 -17.607 -2.337 2.568 1.00 14.51 H new ATOM 0 HG3 GLU A 3 -15.982 -2.277 3.221 1.00 14.51 H new ATOM 46 N SER A 4 -15.198 -1.387 -0.249 1.00 3.25 N ATOM 47 CA SER A 4 -14.003 -2.089 -0.734 1.00 22.11 C ATOM 48 C SER A 4 -12.922 -1.104 -1.219 1.00 12.51 C ATOM 49 O SER A 4 -12.641 -1.005 -2.415 1.00 62.15 O ATOM 50 CB SER A 4 -14.372 -3.068 -1.861 1.00 55.53 C ATOM 51 OG SER A 4 -13.250 -3.838 -2.268 1.00 44.33 O ATOM 0 H SER A 4 -15.972 -1.367 -0.913 1.00 3.25 H new ATOM 0 HA SER A 4 -13.591 -2.651 0.104 1.00 22.11 H new ATOM 0 HB2 SER A 4 -15.167 -3.732 -1.522 1.00 55.53 H new ATOM 0 HB3 SER A 4 -14.763 -2.513 -2.714 1.00 55.53 H new ATOM 0 HG SER A 4 -13.517 -4.452 -2.984 1.00 44.33 H new ATOM 57 N ILE A 5 -12.339 -0.351 -0.280 1.00 61.25 N ATOM 58 CA ILE A 5 -11.251 0.593 -0.594 1.00 44.31 C ATOM 59 C ILE A 5 -9.875 -0.083 -0.453 1.00 10.53 C ATOM 60 O ILE A 5 -8.971 0.145 -1.263 1.00 14.33 O ATOM 61 CB ILE A 5 -11.301 1.866 0.309 1.00 24.44 C ATOM 62 CG1 ILE A 5 -12.478 2.783 -0.083 1.00 74.34 C ATOM 63 CG2 ILE A 5 -9.985 2.649 0.233 1.00 61.50 C ATOM 64 CD1 ILE A 5 -13.851 2.202 0.180 1.00 62.33 C ATOM 0 H ILE A 5 -12.600 -0.374 0.706 1.00 61.25 H new ATOM 0 HA ILE A 5 -11.396 0.903 -1.629 1.00 44.31 H new ATOM 0 HB ILE A 5 -11.449 1.529 1.335 1.00 24.44 H new ATOM 0 HG12 ILE A 5 -12.386 3.722 0.463 1.00 74.34 H new ATOM 0 HG13 ILE A 5 -12.397 3.021 -1.144 1.00 74.34 H new ATOM 0 HG21 ILE A 5 -10.048 3.530 0.872 1.00 61.50 H new ATOM 0 HG22 ILE A 5 -9.165 2.015 0.570 1.00 61.50 H new ATOM 0 HG23 ILE A 5 -9.805 2.959 -0.796 1.00 61.50 H new ATOM 0 HD11 ILE A 5 -14.614 2.918 -0.127 1.00 62.33 H new ATOM 0 HD12 ILE A 5 -13.970 1.279 -0.387 1.00 62.33 H new ATOM 0 HD13 ILE A 5 -13.959 1.991 1.244 1.00 62.33 H new ATOM 76 N VAL A 6 -9.728 -0.923 0.572 1.00 30.34 N ATOM 77 CA VAL A 6 -8.466 -1.637 0.817 1.00 73.31 C ATOM 78 C VAL A 6 -8.092 -2.532 -0.377 1.00 33.50 C ATOM 79 O VAL A 6 -6.916 -2.660 -0.726 1.00 42.14 O ATOM 80 CB VAL A 6 -8.539 -2.496 2.110 1.00 52.01 C ATOM 81 CG1 VAL A 6 -7.202 -3.189 2.386 1.00 63.34 C ATOM 82 CG2 VAL A 6 -8.969 -1.641 3.304 1.00 61.03 C ATOM 0 H VAL A 6 -10.464 -1.128 1.248 1.00 30.34 H new ATOM 0 HA VAL A 6 -7.693 -0.879 0.946 1.00 73.31 H new ATOM 0 HB VAL A 6 -9.291 -3.271 1.959 1.00 52.01 H new ATOM 0 HG11 VAL A 6 -7.281 -3.783 3.296 1.00 63.34 H new ATOM 0 HG12 VAL A 6 -6.950 -3.840 1.549 1.00 63.34 H new ATOM 0 HG13 VAL A 6 -6.422 -2.438 2.510 1.00 63.34 H new ATOM 0 HG21 VAL A 6 -9.014 -2.262 4.199 1.00 61.03 H new ATOM 0 HG22 VAL A 6 -8.248 -0.838 3.455 1.00 61.03 H new ATOM 0 HG23 VAL A 6 -9.953 -1.213 3.110 1.00 61.03 H new ATOM 92 N THR A 7 -9.102 -3.135 -1.007 1.00 4.42 N ATOM 93 CA THR A 7 -8.888 -3.947 -2.217 1.00 22.40 C ATOM 94 C THR A 7 -8.140 -3.156 -3.298 1.00 61.43 C ATOM 95 O THR A 7 -7.247 -3.685 -3.959 1.00 25.44 O ATOM 96 CB THR A 7 -10.228 -4.453 -2.809 1.00 72.14 C ATOM 97 OG1 THR A 7 -10.922 -5.267 -1.851 1.00 61.15 O ATOM 98 CG2 THR A 7 -10.004 -5.257 -4.088 1.00 12.33 C ATOM 0 H THR A 7 -10.075 -3.080 -0.705 1.00 4.42 H new ATOM 0 HA THR A 7 -8.285 -4.802 -1.911 1.00 22.40 H new ATOM 0 HB THR A 7 -10.831 -3.578 -3.051 1.00 72.14 H new ATOM 0 HG1 THR A 7 -11.848 -4.956 -1.767 1.00 61.15 H new ATOM 0 HG21 THR A 7 -10.964 -5.597 -4.477 1.00 12.33 H new ATOM 0 HG22 THR A 7 -9.513 -4.629 -4.831 1.00 12.33 H new ATOM 0 HG23 THR A 7 -9.375 -6.120 -3.870 1.00 12.33 H new ATOM 106 N LYS A 8 -8.499 -1.883 -3.469 1.00 13.13 N ATOM 107 CA LYS A 8 -7.819 -1.021 -4.436 1.00 44.24 C ATOM 108 C LYS A 8 -6.335 -0.884 -4.085 1.00 0.30 C ATOM 109 O LYS A 8 -5.469 -1.037 -4.944 1.00 53.33 O ATOM 110 CB LYS A 8 -8.485 0.361 -4.499 1.00 33.10 C ATOM 111 CG LYS A 8 -7.743 1.369 -5.377 1.00 23.01 C ATOM 112 CD LYS A 8 -8.563 2.635 -5.621 1.00 42.11 C ATOM 113 CE LYS A 8 -9.827 2.344 -6.425 1.00 11.25 C ATOM 114 NZ LYS A 8 -9.521 1.742 -7.754 1.00 70.44 N ATOM 0 H LYS A 8 -9.253 -1.428 -2.954 1.00 13.13 H new ATOM 0 HA LYS A 8 -7.901 -1.485 -5.419 1.00 44.24 H new ATOM 0 HB2 LYS A 8 -9.502 0.246 -4.875 1.00 33.10 H new ATOM 0 HB3 LYS A 8 -8.562 0.762 -3.488 1.00 33.10 H new ATOM 0 HG2 LYS A 8 -6.799 1.636 -4.903 1.00 23.01 H new ATOM 0 HG3 LYS A 8 -7.500 0.906 -6.333 1.00 23.01 H new ATOM 0 HD2 LYS A 8 -8.835 3.082 -4.665 1.00 42.11 H new ATOM 0 HD3 LYS A 8 -7.954 3.366 -6.153 1.00 42.11 H new ATOM 0 HE2 LYS A 8 -10.468 1.667 -5.860 1.00 11.25 H new ATOM 0 HE3 LYS A 8 -10.387 3.269 -6.567 1.00 11.25 H new ATOM 0 HZ1 LYS A 8 -10.373 1.764 -8.349 1.00 70.44 H new ATOM 0 HZ2 LYS A 8 -8.763 2.285 -8.215 1.00 70.44 H new ATOM 0 HZ3 LYS A 8 -9.213 0.757 -7.626 1.00 70.44 H new ATOM 128 N ILE A 9 -6.047 -0.618 -2.811 1.00 61.43 N ATOM 129 CA ILE A 9 -4.662 -0.523 -2.334 1.00 34.42 C ATOM 130 C ILE A 9 -3.887 -1.822 -2.624 1.00 15.52 C ATOM 131 O ILE A 9 -2.768 -1.788 -3.134 1.00 64.42 O ATOM 132 CB ILE A 9 -4.610 -0.211 -0.816 1.00 31.11 C ATOM 133 CG1 ILE A 9 -5.282 1.144 -0.524 1.00 60.32 C ATOM 134 CG2 ILE A 9 -3.167 -0.221 -0.308 1.00 23.05 C ATOM 135 CD1 ILE A 9 -5.269 1.535 0.939 1.00 54.33 C ATOM 0 H ILE A 9 -6.751 -0.464 -2.089 1.00 61.43 H new ATOM 0 HA ILE A 9 -4.190 0.297 -2.875 1.00 34.42 H new ATOM 0 HB ILE A 9 -5.159 -0.990 -0.286 1.00 31.11 H new ATOM 0 HG12 ILE A 9 -4.779 1.920 -1.101 1.00 60.32 H new ATOM 0 HG13 ILE A 9 -6.315 1.108 -0.871 1.00 60.32 H new ATOM 0 HG21 ILE A 9 -3.155 0.000 0.759 1.00 23.05 H new ATOM 0 HG22 ILE A 9 -2.728 -1.204 -0.480 1.00 23.05 H new ATOM 0 HG23 ILE A 9 -2.588 0.533 -0.841 1.00 23.05 H new ATOM 0 HD11 ILE A 9 -5.760 2.500 1.062 1.00 54.33 H new ATOM 0 HD12 ILE A 9 -5.799 0.781 1.522 1.00 54.33 H new ATOM 0 HD13 ILE A 9 -4.239 1.605 1.288 1.00 54.33 H new ATOM 147 N ILE A 10 -4.501 -2.964 -2.309 1.00 41.52 N ATOM 148 CA ILE A 10 -3.902 -4.273 -2.598 1.00 45.44 C ATOM 149 C ILE A 10 -3.650 -4.447 -4.107 1.00 72.31 C ATOM 150 O ILE A 10 -2.594 -4.928 -4.521 1.00 55.15 O ATOM 151 CB ILE A 10 -4.805 -5.429 -2.093 1.00 73.41 C ATOM 152 CG1 ILE A 10 -5.030 -5.309 -0.576 1.00 0.11 C ATOM 153 CG2 ILE A 10 -4.194 -6.789 -2.442 1.00 31.12 C ATOM 154 CD1 ILE A 10 -5.969 -6.356 -0.008 1.00 24.33 C ATOM 0 H ILE A 10 -5.413 -3.011 -1.854 1.00 41.52 H new ATOM 0 HA ILE A 10 -2.949 -4.311 -2.070 1.00 45.44 H new ATOM 0 HB ILE A 10 -5.770 -5.354 -2.593 1.00 73.41 H new ATOM 0 HG12 ILE A 10 -4.068 -5.385 -0.069 1.00 0.11 H new ATOM 0 HG13 ILE A 10 -5.429 -4.319 -0.355 1.00 0.11 H new ATOM 0 HG21 ILE A 10 -4.844 -7.584 -2.078 1.00 31.12 H new ATOM 0 HG22 ILE A 10 -4.088 -6.873 -3.524 1.00 31.12 H new ATOM 0 HG23 ILE A 10 -3.214 -6.879 -1.973 1.00 31.12 H new ATOM 0 HD11 ILE A 10 -6.076 -6.204 1.066 1.00 24.33 H new ATOM 0 HD12 ILE A 10 -6.945 -6.267 -0.486 1.00 24.33 H new ATOM 0 HD13 ILE A 10 -5.562 -7.350 -0.195 1.00 24.33 H new ATOM 166 N SER A 11 -4.624 -4.037 -4.922 1.00 31.31 N ATOM 167 CA SER A 11 -4.502 -4.093 -6.391 1.00 13.32 C ATOM 168 C SER A 11 -3.359 -3.198 -6.892 1.00 72.32 C ATOM 169 O SER A 11 -2.629 -3.562 -7.812 1.00 64.13 O ATOM 170 CB SER A 11 -5.824 -3.669 -7.052 1.00 64.03 C ATOM 171 OG SER A 11 -5.734 -3.688 -8.468 1.00 60.00 O ATOM 0 H SER A 11 -5.513 -3.660 -4.593 1.00 31.31 H new ATOM 0 HA SER A 11 -4.274 -5.123 -6.666 1.00 13.32 H new ATOM 0 HB2 SER A 11 -6.623 -4.337 -6.729 1.00 64.03 H new ATOM 0 HB3 SER A 11 -6.093 -2.667 -6.718 1.00 64.03 H new ATOM 0 HG SER A 11 -6.592 -3.415 -8.854 1.00 60.00 H new ATOM 177 N ILE A 12 -3.207 -2.026 -6.277 1.00 2.10 N ATOM 178 CA ILE A 12 -2.107 -1.109 -6.602 1.00 44.05 C ATOM 179 C ILE A 12 -0.747 -1.769 -6.309 1.00 23.01 C ATOM 180 O ILE A 12 0.136 -1.802 -7.167 1.00 42.01 O ATOM 181 CB ILE A 12 -2.229 0.220 -5.803 1.00 10.51 C ATOM 182 CG1 ILE A 12 -3.541 0.937 -6.165 1.00 73.54 C ATOM 183 CG2 ILE A 12 -1.026 1.133 -6.057 1.00 30.24 C ATOM 184 CD1 ILE A 12 -3.844 2.143 -5.301 1.00 23.45 C ATOM 0 H ILE A 12 -3.833 -1.685 -5.547 1.00 2.10 H new ATOM 0 HA ILE A 12 -2.171 -0.881 -7.666 1.00 44.05 H new ATOM 0 HB ILE A 12 -2.242 -0.021 -4.740 1.00 10.51 H new ATOM 0 HG12 ILE A 12 -3.495 1.252 -7.207 1.00 73.54 H new ATOM 0 HG13 ILE A 12 -4.365 0.228 -6.083 1.00 73.54 H new ATOM 0 HG21 ILE A 12 -1.141 2.054 -5.485 1.00 30.24 H new ATOM 0 HG22 ILE A 12 -0.112 0.625 -5.748 1.00 30.24 H new ATOM 0 HG23 ILE A 12 -0.968 1.371 -7.119 1.00 30.24 H new ATOM 0 HD11 ILE A 12 -4.785 2.592 -5.620 1.00 23.45 H new ATOM 0 HD12 ILE A 12 -3.925 1.833 -4.259 1.00 23.45 H new ATOM 0 HD13 ILE A 12 -3.041 2.873 -5.401 1.00 23.45 H new ATOM 196 N VAL A 13 -0.599 -2.310 -5.099 1.00 23.11 N ATOM 197 CA VAL A 13 0.634 -2.999 -4.701 1.00 74.12 C ATOM 198 C VAL A 13 0.916 -4.216 -5.602 1.00 40.32 C ATOM 199 O VAL A 13 2.046 -4.419 -6.056 1.00 2.11 O ATOM 200 CB VAL A 13 0.567 -3.454 -3.220 1.00 41.31 C ATOM 201 CG1 VAL A 13 1.867 -4.133 -2.794 1.00 44.43 C ATOM 202 CG2 VAL A 13 0.257 -2.269 -2.305 1.00 74.53 C ATOM 0 H VAL A 13 -1.317 -2.285 -4.375 1.00 23.11 H new ATOM 0 HA VAL A 13 1.449 -2.284 -4.816 1.00 74.12 H new ATOM 0 HB VAL A 13 -0.240 -4.182 -3.129 1.00 41.31 H new ATOM 0 HG11 VAL A 13 1.792 -4.442 -1.751 1.00 44.43 H new ATOM 0 HG12 VAL A 13 2.042 -5.008 -3.420 1.00 44.43 H new ATOM 0 HG13 VAL A 13 2.696 -3.434 -2.907 1.00 44.43 H new ATOM 0 HG21 VAL A 13 0.214 -2.610 -1.270 1.00 74.53 H new ATOM 0 HG22 VAL A 13 1.039 -1.516 -2.407 1.00 74.53 H new ATOM 0 HG23 VAL A 13 -0.703 -1.835 -2.584 1.00 74.53 H new ATOM 212 N GLN A 14 -0.118 -5.019 -5.867 1.00 34.43 N ATOM 213 CA GLN A 14 0.008 -6.182 -6.755 1.00 32.33 C ATOM 214 C GLN A 14 0.438 -5.755 -8.160 1.00 63.44 C ATOM 215 O GLN A 14 1.338 -6.347 -8.751 1.00 54.42 O ATOM 216 CB GLN A 14 -1.318 -6.960 -6.843 1.00 2.02 C ATOM 217 CG GLN A 14 -1.268 -8.168 -7.787 1.00 0.12 C ATOM 218 CD GLN A 14 -0.262 -9.226 -7.351 1.00 70.12 C ATOM 219 OE1 GLN A 14 -0.002 -9.407 -6.165 1.00 51.54 O ATOM 220 NE2 GLN A 14 0.314 -9.931 -8.305 1.00 61.34 N ATOM 0 H GLN A 14 -1.052 -4.887 -5.480 1.00 34.43 H new ATOM 0 HA GLN A 14 0.773 -6.832 -6.329 1.00 32.33 H new ATOM 0 HB2 GLN A 14 -1.594 -7.302 -5.846 1.00 2.02 H new ATOM 0 HB3 GLN A 14 -2.104 -6.283 -7.177 1.00 2.02 H new ATOM 0 HG2 GLN A 14 -2.259 -8.619 -7.843 1.00 0.12 H new ATOM 0 HG3 GLN A 14 -1.015 -7.827 -8.791 1.00 0.12 H new ATOM 0 HE21 GLN A 14 0.077 -9.757 -9.282 1.00 61.34 H new ATOM 0 HE22 GLN A 14 0.997 -10.650 -8.066 1.00 61.34 H new ATOM 229 N GLU A 15 -0.207 -4.718 -8.689 1.00 3.22 N ATOM 230 CA GLU A 15 0.097 -4.229 -10.034 1.00 41.53 C ATOM 231 C GLU A 15 1.553 -3.748 -10.125 1.00 31.15 C ATOM 232 O GLU A 15 2.234 -3.977 -11.124 1.00 55.11 O ATOM 233 CB GLU A 15 -0.864 -3.095 -10.423 1.00 44.42 C ATOM 234 CG GLU A 15 -1.136 -3.014 -11.922 1.00 44.22 C ATOM 235 CD GLU A 15 -1.903 -4.226 -12.432 1.00 73.50 C ATOM 236 OE1 GLU A 15 -3.154 -4.201 -12.397 1.00 11.53 O ATOM 237 OE2 GLU A 15 -1.263 -5.216 -12.859 1.00 52.21 O ATOM 0 H GLU A 15 -0.943 -4.200 -8.209 1.00 3.22 H new ATOM 0 HA GLU A 15 -0.035 -5.055 -10.733 1.00 41.53 H new ATOM 0 HB2 GLU A 15 -1.809 -3.234 -9.898 1.00 44.42 H new ATOM 0 HB3 GLU A 15 -0.448 -2.146 -10.086 1.00 44.42 H new ATOM 0 HG2 GLU A 15 -1.704 -2.109 -12.138 1.00 44.22 H new ATOM 0 HG3 GLU A 15 -0.190 -2.933 -12.458 1.00 44.22 H new ATOM 244 N ARG A 16 2.031 -3.089 -9.069 1.00 23.33 N ATOM 245 CA ARG A 16 3.433 -2.663 -9.000 1.00 24.33 C ATOM 246 C ARG A 16 4.382 -3.875 -8.951 1.00 33.02 C ATOM 247 O ARG A 16 5.423 -3.884 -9.599 1.00 3.20 O ATOM 248 CB ARG A 16 3.667 -1.757 -7.785 1.00 72.14 C ATOM 249 CG ARG A 16 2.874 -0.452 -7.825 1.00 5.00 C ATOM 250 CD ARG A 16 3.189 0.374 -9.069 1.00 31.13 C ATOM 251 NE ARG A 16 4.615 0.683 -9.178 1.00 4.30 N ATOM 252 CZ ARG A 16 5.115 1.887 -9.127 1.00 54.14 C ATOM 253 NH1 ARG A 16 4.341 2.916 -9.006 1.00 4.51 N ATOM 254 NH2 ARG A 16 6.392 2.055 -9.219 1.00 32.13 N ATOM 0 H ARG A 16 1.473 -2.839 -8.253 1.00 23.33 H new ATOM 0 HA ARG A 16 3.651 -2.096 -9.905 1.00 24.33 H new ATOM 0 HB2 ARG A 16 3.403 -2.304 -6.880 1.00 72.14 H new ATOM 0 HB3 ARG A 16 4.730 -1.523 -7.717 1.00 72.14 H new ATOM 0 HG2 ARG A 16 1.807 -0.676 -7.799 1.00 5.00 H new ATOM 0 HG3 ARG A 16 3.098 0.135 -6.934 1.00 5.00 H new ATOM 0 HD2 ARG A 16 2.868 -0.171 -9.957 1.00 31.13 H new ATOM 0 HD3 ARG A 16 2.618 1.302 -9.041 1.00 31.13 H new ATOM 0 HE ARG A 16 5.262 -0.096 -9.302 1.00 4.30 H new ATOM 0 HH11 ARG A 16 3.330 2.790 -8.950 1.00 4.51 H new ATOM 0 HH12 ARG A 16 4.741 3.853 -8.967 1.00 4.51 H new ATOM 0 HH21 ARG A 16 7.006 1.248 -9.331 1.00 32.13 H new ATOM 0 HH22 ARG A 16 6.787 2.995 -9.180 1.00 32.13 H new ATOM 268 N GLN A 17 4.014 -4.897 -8.184 1.00 34.42 N ATOM 269 CA GLN A 17 4.765 -6.162 -8.175 1.00 72.32 C ATOM 270 C GLN A 17 4.683 -6.848 -9.545 1.00 42.33 C ATOM 271 O GLN A 17 5.604 -7.540 -9.973 1.00 74.13 O ATOM 272 CB GLN A 17 4.215 -7.101 -7.090 1.00 1.24 C ATOM 273 CG GLN A 17 4.499 -6.644 -5.665 1.00 44.14 C ATOM 274 CD GLN A 17 5.966 -6.756 -5.288 1.00 72.31 C ATOM 275 OE1 GLN A 17 6.856 -6.621 -6.122 1.00 72.12 O ATOM 276 NE2 GLN A 17 6.234 -7.042 -4.035 1.00 2.05 N ATOM 0 H GLN A 17 3.206 -4.881 -7.562 1.00 34.42 H new ATOM 0 HA GLN A 17 5.809 -5.937 -7.956 1.00 72.32 H new ATOM 0 HB2 GLN A 17 3.137 -7.197 -7.221 1.00 1.24 H new ATOM 0 HB3 GLN A 17 4.643 -8.093 -7.233 1.00 1.24 H new ATOM 0 HG2 GLN A 17 4.178 -5.609 -5.550 1.00 44.14 H new ATOM 0 HG3 GLN A 17 3.905 -7.240 -4.973 1.00 44.14 H new ATOM 0 HE21 GLN A 17 5.475 -7.149 -3.363 1.00 2.05 H new ATOM 0 HE22 GLN A 17 7.202 -7.157 -3.734 1.00 2.05 H new ATOM 285 N ASN A 18 3.563 -6.633 -10.221 1.00 51.02 N ATOM 286 CA ASN A 18 3.311 -7.201 -11.544 1.00 11.42 C ATOM 287 C ASN A 18 4.110 -6.441 -12.625 1.00 13.43 C ATOM 288 O ASN A 18 4.350 -6.953 -13.719 1.00 45.20 O ATOM 289 CB ASN A 18 1.800 -7.134 -11.811 1.00 43.51 C ATOM 290 CG ASN A 18 1.326 -8.093 -12.880 1.00 12.02 C ATOM 291 OD1 ASN A 18 2.001 -9.064 -13.212 1.00 24.54 O ATOM 292 ND2 ASN A 18 0.140 -7.850 -13.397 1.00 73.31 N ATOM 0 H ASN A 18 2.798 -6.058 -9.868 1.00 51.02 H new ATOM 0 HA ASN A 18 3.641 -8.239 -11.579 1.00 11.42 H new ATOM 0 HB2 ASN A 18 1.267 -7.346 -10.884 1.00 43.51 H new ATOM 0 HB3 ASN A 18 1.537 -6.118 -12.105 1.00 43.51 H new ATOM 0 HD21 ASN A 18 -0.249 -8.479 -14.099 1.00 73.31 H new ATOM 0 HD22 ASN A 18 -0.390 -7.033 -13.095 1.00 73.31 H new ATOM 299 N MET A 19 4.520 -5.216 -12.296 1.00 70.44 N ATOM 300 CA MET A 19 5.350 -4.389 -13.185 1.00 42.44 C ATOM 301 C MET A 19 6.822 -4.382 -12.733 1.00 60.15 C ATOM 302 O MET A 19 7.691 -4.947 -13.401 1.00 11.14 O ATOM 303 CB MET A 19 4.808 -2.954 -13.222 1.00 14.50 C ATOM 304 CG MET A 19 3.431 -2.834 -13.861 1.00 41.45 C ATOM 305 SD MET A 19 3.458 -3.208 -15.626 1.00 33.04 S ATOM 306 CE MET A 19 4.487 -1.876 -16.240 1.00 13.41 C ATOM 0 H MET A 19 4.289 -4.766 -11.410 1.00 70.44 H new ATOM 0 HA MET A 19 5.306 -4.821 -14.185 1.00 42.44 H new ATOM 0 HB2 MET A 19 4.761 -2.567 -12.204 1.00 14.50 H new ATOM 0 HB3 MET A 19 5.509 -2.325 -13.770 1.00 14.50 H new ATOM 0 HG2 MET A 19 2.740 -3.511 -13.359 1.00 41.45 H new ATOM 0 HG3 MET A 19 3.051 -1.823 -13.712 1.00 41.45 H new ATOM 0 HE1 MET A 19 4.279 -1.713 -17.298 1.00 13.41 H new ATOM 0 HE2 MET A 19 4.272 -0.964 -15.683 1.00 13.41 H new ATOM 0 HE3 MET A 19 5.537 -2.139 -16.113 1.00 13.41 H new ATOM 316 N ASP A 20 7.094 -3.734 -11.595 1.00 43.54 N ATOM 317 CA ASP A 20 8.454 -3.616 -11.062 1.00 35.22 C ATOM 318 C ASP A 20 9.021 -4.977 -10.618 1.00 53.22 C ATOM 319 O ASP A 20 9.987 -5.474 -11.206 1.00 61.33 O ATOM 320 CB ASP A 20 8.479 -2.638 -9.881 1.00 31.42 C ATOM 321 CG ASP A 20 8.023 -1.240 -10.263 1.00 15.55 C ATOM 322 OD1 ASP A 20 8.701 -0.595 -11.090 1.00 61.44 O ATOM 323 OD2 ASP A 20 7.004 -0.768 -9.711 1.00 62.45 O ATOM 0 H ASP A 20 6.383 -3.280 -11.022 1.00 43.54 H new ATOM 0 HA ASP A 20 9.084 -3.237 -11.867 1.00 35.22 H new ATOM 0 HB2 ASP A 20 7.838 -3.019 -9.086 1.00 31.42 H new ATOM 0 HB3 ASP A 20 9.491 -2.588 -9.478 1.00 31.42 H new ATOM 328 N ASP A 21 8.423 -5.556 -9.570 1.00 60.30 N ATOM 329 CA ASP A 21 8.869 -6.835 -8.984 1.00 45.04 C ATOM 330 C ASP A 21 10.230 -6.687 -8.268 1.00 11.12 C ATOM 331 O ASP A 21 10.342 -6.939 -7.065 1.00 63.03 O ATOM 332 CB ASP A 21 8.939 -7.938 -10.051 1.00 23.10 C ATOM 333 CG ASP A 21 9.117 -9.321 -9.445 1.00 65.25 C ATOM 334 OD1 ASP A 21 8.098 -9.969 -9.122 1.00 40.25 O ATOM 335 OD2 ASP A 21 10.272 -9.774 -9.292 1.00 71.45 O ATOM 0 H ASP A 21 7.613 -5.153 -9.100 1.00 60.30 H new ATOM 0 HA ASP A 21 8.128 -7.125 -8.239 1.00 45.04 H new ATOM 0 HB2 ASP A 21 8.027 -7.921 -10.648 1.00 23.10 H new ATOM 0 HB3 ASP A 21 9.767 -7.732 -10.729 1.00 23.10 H new ATOM 340 N GLY A 22 11.266 -6.302 -9.015 1.00 74.50 N ATOM 341 CA GLY A 22 12.575 -6.049 -8.422 1.00 52.41 C ATOM 342 C GLY A 22 12.595 -4.797 -7.549 1.00 43.55 C ATOM 343 O GLY A 22 13.377 -4.697 -6.604 1.00 50.51 O ATOM 0 H GLY A 22 11.223 -6.160 -10.024 1.00 74.50 H new ATOM 0 HA2 GLY A 22 12.870 -6.910 -7.822 1.00 52.41 H new ATOM 0 HA3 GLY A 22 13.315 -5.945 -9.216 1.00 52.41 H new ATOM 347 N ALA A 23 11.728 -3.836 -7.868 1.00 53.04 N ATOM 348 CA ALA A 23 11.609 -2.602 -7.085 1.00 52.21 C ATOM 349 C ALA A 23 10.360 -2.639 -6.188 1.00 74.33 C ATOM 350 O ALA A 23 9.279 -3.015 -6.644 1.00 2.44 O ATOM 351 CB ALA A 23 11.563 -1.390 -8.014 1.00 72.40 C ATOM 0 H ALA A 23 11.095 -3.887 -8.666 1.00 53.04 H new ATOM 0 HA ALA A 23 12.485 -2.519 -6.442 1.00 52.21 H new ATOM 0 HB1 ALA A 23 11.475 -0.480 -7.421 1.00 72.40 H new ATOM 0 HB2 ALA A 23 12.478 -1.350 -8.606 1.00 72.40 H new ATOM 0 HB3 ALA A 23 10.704 -1.474 -8.680 1.00 72.40 H new ATOM 357 N PRO A 24 10.489 -2.256 -4.901 1.00 21.45 N ATOM 358 CA PRO A 24 9.357 -2.255 -3.957 1.00 54.53 C ATOM 359 C PRO A 24 8.337 -1.135 -4.236 1.00 34.43 C ATOM 360 O PRO A 24 8.605 -0.202 -4.999 1.00 22.21 O ATOM 361 CB PRO A 24 10.023 -2.043 -2.579 1.00 42.25 C ATOM 362 CG PRO A 24 11.498 -2.167 -2.812 1.00 51.23 C ATOM 363 CD PRO A 24 11.728 -1.806 -4.254 1.00 31.04 C ATOM 0 HA PRO A 24 8.783 -3.179 -4.032 1.00 54.53 H new ATOM 0 HB2 PRO A 24 9.773 -1.064 -2.171 1.00 42.25 H new ATOM 0 HB3 PRO A 24 9.677 -2.786 -1.860 1.00 42.25 H new ATOM 0 HG2 PRO A 24 12.054 -1.502 -2.151 1.00 51.23 H new ATOM 0 HG3 PRO A 24 11.841 -3.181 -2.605 1.00 51.23 H new ATOM 0 HD2 PRO A 24 11.886 -0.735 -4.383 1.00 31.04 H new ATOM 0 HD3 PRO A 24 12.604 -2.309 -4.663 1.00 31.04 H new ATOM 371 N VAL A 25 7.171 -1.237 -3.603 1.00 32.31 N ATOM 372 CA VAL A 25 6.115 -0.232 -3.748 1.00 12.44 C ATOM 373 C VAL A 25 6.328 0.928 -2.763 1.00 44.13 C ATOM 374 O VAL A 25 6.753 0.722 -1.626 1.00 73.21 O ATOM 375 CB VAL A 25 4.716 -0.855 -3.505 1.00 43.20 C ATOM 376 CG1 VAL A 25 3.603 0.151 -3.806 1.00 44.45 C ATOM 377 CG2 VAL A 25 4.547 -2.127 -4.336 1.00 61.31 C ATOM 0 H VAL A 25 6.930 -2.009 -2.981 1.00 32.31 H new ATOM 0 HA VAL A 25 6.164 0.147 -4.769 1.00 12.44 H new ATOM 0 HB VAL A 25 4.640 -1.122 -2.451 1.00 43.20 H new ATOM 0 HG11 VAL A 25 2.634 -0.314 -3.627 1.00 44.45 H new ATOM 0 HG12 VAL A 25 3.714 1.021 -3.158 1.00 44.45 H new ATOM 0 HG13 VAL A 25 3.668 0.464 -4.848 1.00 44.45 H new ATOM 0 HG21 VAL A 25 3.560 -2.552 -4.154 1.00 61.31 H new ATOM 0 HG22 VAL A 25 4.649 -1.887 -5.394 1.00 61.31 H new ATOM 0 HG23 VAL A 25 5.311 -2.851 -4.053 1.00 61.31 H new ATOM 387 N LYS A 26 6.040 2.148 -3.209 1.00 5.24 N ATOM 388 CA LYS A 26 6.217 3.339 -2.372 1.00 70.30 C ATOM 389 C LYS A 26 4.866 3.815 -1.815 1.00 32.40 C ATOM 390 O LYS A 26 3.833 3.695 -2.479 1.00 41.50 O ATOM 391 CB LYS A 26 6.866 4.491 -3.171 1.00 23.12 C ATOM 392 CG LYS A 26 8.197 4.158 -3.858 1.00 52.11 C ATOM 393 CD LYS A 26 8.022 3.165 -5.007 1.00 44.35 C ATOM 394 CE LYS A 26 9.302 2.991 -5.818 1.00 12.32 C ATOM 395 NZ LYS A 26 9.597 4.186 -6.649 1.00 25.52 N ATOM 0 H LYS A 26 5.683 2.341 -4.145 1.00 5.24 H new ATOM 0 HA LYS A 26 6.875 3.063 -1.548 1.00 70.30 H new ATOM 0 HB2 LYS A 26 6.159 4.824 -3.931 1.00 23.12 H new ATOM 0 HB3 LYS A 26 7.027 5.331 -2.496 1.00 23.12 H new ATOM 0 HG2 LYS A 26 8.647 5.075 -4.238 1.00 52.11 H new ATOM 0 HG3 LYS A 26 8.889 3.744 -3.124 1.00 52.11 H new ATOM 0 HD2 LYS A 26 7.714 2.199 -4.607 1.00 44.35 H new ATOM 0 HD3 LYS A 26 7.222 3.508 -5.663 1.00 44.35 H new ATOM 0 HE2 LYS A 26 10.137 2.803 -5.143 1.00 12.32 H new ATOM 0 HE3 LYS A 26 9.208 2.116 -6.461 1.00 12.32 H new ATOM 0 HZ1 LYS A 26 10.383 3.973 -7.296 1.00 25.52 H new ATOM 0 HZ2 LYS A 26 8.754 4.442 -7.201 1.00 25.52 H new ATOM 0 HZ3 LYS A 26 9.861 4.981 -6.033 1.00 25.52 H new ATOM 409 N THR A 27 4.881 4.363 -0.603 1.00 11.12 N ATOM 410 CA THR A 27 3.668 4.929 0.014 1.00 71.44 C ATOM 411 C THR A 27 3.090 6.064 -0.850 1.00 33.23 C ATOM 412 O THR A 27 1.881 6.300 -0.870 1.00 73.25 O ATOM 413 CB THR A 27 3.958 5.473 1.439 1.00 54.32 C ATOM 414 OG1 THR A 27 4.540 4.444 2.256 1.00 34.21 O ATOM 415 CG2 THR A 27 2.692 5.992 2.118 1.00 14.21 C ATOM 0 H THR A 27 5.717 4.431 -0.022 1.00 11.12 H new ATOM 0 HA THR A 27 2.940 4.121 0.085 1.00 71.44 H new ATOM 0 HB THR A 27 4.656 6.303 1.330 1.00 54.32 H new ATOM 0 HG1 THR A 27 4.719 4.800 3.151 1.00 34.21 H new ATOM 0 HG21 THR A 27 2.939 6.363 3.113 1.00 14.21 H new ATOM 0 HG22 THR A 27 2.266 6.801 1.524 1.00 14.21 H new ATOM 0 HG23 THR A 27 1.967 5.183 2.203 1.00 14.21 H new ATOM 423 N ARG A 28 3.980 6.751 -1.572 1.00 52.00 N ATOM 424 CA ARG A 28 3.597 7.853 -2.470 1.00 41.35 C ATOM 425 C ARG A 28 2.602 7.391 -3.547 1.00 30.42 C ATOM 426 O ARG A 28 1.470 7.873 -3.607 1.00 53.24 O ATOM 427 CB ARG A 28 4.852 8.428 -3.144 1.00 2.32 C ATOM 428 CG ARG A 28 5.861 9.030 -2.169 1.00 71.03 C ATOM 429 CD ARG A 28 5.347 10.327 -1.548 1.00 74.21 C ATOM 430 NE ARG A 28 5.118 11.357 -2.561 1.00 64.54 N ATOM 431 CZ ARG A 28 5.530 12.592 -2.469 1.00 72.41 C ATOM 432 NH1 ARG A 28 6.215 12.981 -1.440 1.00 63.03 N ATOM 433 NH2 ARG A 28 5.265 13.429 -3.416 1.00 51.34 N ATOM 0 H ARG A 28 4.982 6.563 -1.553 1.00 52.00 H new ATOM 0 HA ARG A 28 3.109 8.620 -1.869 1.00 41.35 H new ATOM 0 HB2 ARG A 28 5.340 7.637 -3.714 1.00 2.32 H new ATOM 0 HB3 ARG A 28 4.550 9.195 -3.857 1.00 2.32 H new ATOM 0 HG2 ARG A 28 6.077 8.310 -1.380 1.00 71.03 H new ATOM 0 HG3 ARG A 28 6.799 9.223 -2.690 1.00 71.03 H new ATOM 0 HD2 ARG A 28 4.419 10.131 -1.012 1.00 74.21 H new ATOM 0 HD3 ARG A 28 6.068 10.691 -0.815 1.00 74.21 H new ATOM 0 HE ARG A 28 4.600 11.091 -3.398 1.00 64.54 H new ATOM 0 HH11 ARG A 28 6.436 12.320 -0.695 1.00 63.03 H new ATOM 0 HH12 ARG A 28 6.534 13.948 -1.375 1.00 63.03 H new ATOM 0 HH21 ARG A 28 4.735 13.124 -4.233 1.00 51.34 H new ATOM 0 HH22 ARG A 28 5.585 14.395 -3.347 1.00 51.34 H new ATOM 447 N ASP A 29 3.036 6.446 -4.383 1.00 13.12 N ATOM 448 CA ASP A 29 2.216 5.933 -5.488 1.00 72.03 C ATOM 449 C ASP A 29 0.823 5.491 -5.008 1.00 32.32 C ATOM 450 O ASP A 29 -0.187 5.778 -5.650 1.00 75.54 O ATOM 451 CB ASP A 29 2.937 4.757 -6.158 1.00 23.22 C ATOM 452 CG ASP A 29 4.344 5.123 -6.588 1.00 15.31 C ATOM 453 OD1 ASP A 29 5.212 5.274 -5.709 1.00 41.23 O ATOM 454 OD2 ASP A 29 4.592 5.275 -7.802 1.00 65.15 O ATOM 0 H ASP A 29 3.958 6.016 -4.316 1.00 13.12 H new ATOM 0 HA ASP A 29 2.075 6.740 -6.207 1.00 72.03 H new ATOM 0 HB2 ASP A 29 2.977 3.915 -5.467 1.00 23.22 H new ATOM 0 HB3 ASP A 29 2.366 4.429 -7.027 1.00 23.22 H new ATOM 459 N ILE A 30 0.782 4.800 -3.870 1.00 65.41 N ATOM 460 CA ILE A 30 -0.485 4.355 -3.282 1.00 11.42 C ATOM 461 C ILE A 30 -1.353 5.552 -2.856 1.00 74.01 C ATOM 462 O ILE A 30 -2.562 5.571 -3.094 1.00 13.33 O ATOM 463 CB ILE A 30 -0.243 3.428 -2.064 1.00 12.13 C ATOM 464 CG1 ILE A 30 0.606 2.213 -2.485 1.00 41.31 C ATOM 465 CG2 ILE A 30 -1.576 2.981 -1.451 1.00 51.10 C ATOM 466 CD1 ILE A 30 0.971 1.289 -1.341 1.00 11.14 C ATOM 0 H ILE A 30 1.609 4.535 -3.336 1.00 65.41 H new ATOM 0 HA ILE A 30 -1.015 3.793 -4.051 1.00 11.42 H new ATOM 0 HB ILE A 30 0.304 3.984 -1.303 1.00 12.13 H new ATOM 0 HG12 ILE A 30 0.060 1.644 -3.237 1.00 41.31 H new ATOM 0 HG13 ILE A 30 1.522 2.569 -2.957 1.00 41.31 H new ATOM 0 HG21 ILE A 30 -1.384 2.331 -0.597 1.00 51.10 H new ATOM 0 HG22 ILE A 30 -2.137 3.856 -1.122 1.00 51.10 H new ATOM 0 HG23 ILE A 30 -2.156 2.438 -2.197 1.00 51.10 H new ATOM 0 HD11 ILE A 30 1.568 0.459 -1.720 1.00 11.14 H new ATOM 0 HD12 ILE A 30 1.546 1.840 -0.597 1.00 11.14 H new ATOM 0 HD13 ILE A 30 0.062 0.901 -0.882 1.00 11.14 H new ATOM 478 N ALA A 31 -0.726 6.559 -2.248 1.00 71.44 N ATOM 479 CA ALA A 31 -1.439 7.767 -1.810 1.00 10.31 C ATOM 480 C ALA A 31 -2.044 8.534 -2.996 1.00 3.02 C ATOM 481 O ALA A 31 -3.216 8.928 -2.968 1.00 10.13 O ATOM 482 CB ALA A 31 -0.499 8.669 -1.022 1.00 31.23 C ATOM 0 H ALA A 31 0.274 6.566 -2.046 1.00 71.44 H new ATOM 0 HA ALA A 31 -2.263 7.454 -1.168 1.00 10.31 H new ATOM 0 HB1 ALA A 31 -1.035 9.562 -0.701 1.00 31.23 H new ATOM 0 HB2 ALA A 31 -0.129 8.134 -0.147 1.00 31.23 H new ATOM 0 HB3 ALA A 31 0.342 8.958 -1.653 1.00 31.23 H new ATOM 488 N ASP A 32 -1.241 8.749 -4.033 1.00 61.32 N ATOM 489 CA ASP A 32 -1.697 9.445 -5.244 1.00 32.12 C ATOM 490 C ASP A 32 -2.737 8.623 -6.030 1.00 41.50 C ATOM 491 O ASP A 32 -3.730 9.170 -6.516 1.00 63.24 O ATOM 492 CB ASP A 32 -0.501 9.773 -6.144 1.00 13.44 C ATOM 493 CG ASP A 32 0.353 10.896 -5.583 1.00 73.45 C ATOM 494 OD1 ASP A 32 1.217 10.632 -4.727 1.00 13.13 O ATOM 495 OD2 ASP A 32 0.159 12.057 -6.003 1.00 61.45 O ATOM 0 H ASP A 32 -0.266 8.452 -4.064 1.00 61.32 H new ATOM 0 HA ASP A 32 -2.181 10.368 -4.926 1.00 32.12 H new ATOM 0 HB2 ASP A 32 0.113 8.881 -6.268 1.00 13.44 H new ATOM 0 HB3 ASP A 32 -0.861 10.053 -7.134 1.00 13.44 H new ATOM 500 N ALA A 33 -2.502 7.318 -6.156 1.00 25.43 N ATOM 501 CA ALA A 33 -3.396 6.436 -6.921 1.00 34.30 C ATOM 502 C ALA A 33 -4.755 6.238 -6.228 1.00 15.12 C ATOM 503 O ALA A 33 -5.806 6.374 -6.855 1.00 72.11 O ATOM 504 CB ALA A 33 -2.722 5.089 -7.165 1.00 60.33 C ATOM 0 H ALA A 33 -1.701 6.843 -5.740 1.00 25.43 H new ATOM 0 HA ALA A 33 -3.592 6.921 -7.877 1.00 34.30 H new ATOM 0 HB1 ALA A 33 -3.393 4.444 -7.732 1.00 60.33 H new ATOM 0 HB2 ALA A 33 -1.801 5.240 -7.728 1.00 60.33 H new ATOM 0 HB3 ALA A 33 -2.490 4.620 -6.209 1.00 60.33 H new ATOM 510 N ALA A 34 -4.731 5.903 -4.937 1.00 64.30 N ATOM 511 CA ALA A 34 -5.967 5.671 -4.174 1.00 41.51 C ATOM 512 C ALA A 34 -6.660 6.988 -3.771 1.00 42.42 C ATOM 513 O ALA A 34 -7.883 7.039 -3.609 1.00 72.23 O ATOM 514 CB ALA A 34 -5.669 4.828 -2.939 1.00 53.24 C ATOM 0 H ALA A 34 -3.874 5.786 -4.396 1.00 64.30 H new ATOM 0 HA ALA A 34 -6.656 5.131 -4.824 1.00 41.51 H new ATOM 0 HB1 ALA A 34 -6.590 4.662 -2.381 1.00 53.24 H new ATOM 0 HB2 ALA A 34 -5.252 3.869 -3.245 1.00 53.24 H new ATOM 0 HB3 ALA A 34 -4.951 5.350 -2.307 1.00 53.24 H new ATOM 520 N GLY A 35 -5.872 8.052 -3.612 1.00 40.34 N ATOM 521 CA GLY A 35 -6.419 9.346 -3.205 1.00 33.51 C ATOM 522 C GLY A 35 -6.635 9.448 -1.698 1.00 44.12 C ATOM 523 O GLY A 35 -7.739 9.751 -1.235 1.00 41.04 O ATOM 0 H GLY A 35 -4.862 8.044 -3.757 1.00 40.34 H new ATOM 0 HA2 GLY A 35 -5.742 10.138 -3.525 1.00 33.51 H new ATOM 0 HA3 GLY A 35 -7.368 9.511 -3.716 1.00 33.51 H new ATOM 527 N LEU A 36 -5.577 9.187 -0.927 1.00 35.24 N ATOM 528 CA LEU A 36 -5.646 9.214 0.544 1.00 45.20 C ATOM 529 C LEU A 36 -4.473 10.006 1.146 1.00 3.04 C ATOM 530 O LEU A 36 -3.436 10.196 0.502 1.00 73.21 O ATOM 531 CB LEU A 36 -5.626 7.777 1.100 1.00 54.20 C ATOM 532 CG LEU A 36 -6.788 6.867 0.663 1.00 50.05 C ATOM 533 CD1 LEU A 36 -6.560 5.433 1.141 1.00 10.52 C ATOM 534 CD2 LEU A 36 -8.120 7.398 1.186 1.00 25.23 C ATOM 0 H LEU A 36 -4.655 8.953 -1.295 1.00 35.24 H new ATOM 0 HA LEU A 36 -6.577 9.707 0.823 1.00 45.20 H new ATOM 0 HB2 LEU A 36 -4.690 7.306 0.801 1.00 54.20 H new ATOM 0 HB3 LEU A 36 -5.622 7.830 2.189 1.00 54.20 H new ATOM 0 HG LEU A 36 -6.824 6.866 -0.426 1.00 50.05 H new ATOM 0 HD11 LEU A 36 -7.393 4.806 0.822 1.00 10.52 H new ATOM 0 HD12 LEU A 36 -5.633 5.050 0.714 1.00 10.52 H new ATOM 0 HD13 LEU A 36 -6.491 5.419 2.229 1.00 10.52 H new ATOM 0 HD21 LEU A 36 -8.926 6.739 0.864 1.00 25.23 H new ATOM 0 HD22 LEU A 36 -8.094 7.435 2.275 1.00 25.23 H new ATOM 0 HD23 LEU A 36 -8.292 8.400 0.792 1.00 25.23 H new ATOM 546 N SER A 37 -4.637 10.469 2.384 1.00 23.30 N ATOM 547 CA SER A 37 -3.552 11.146 3.109 1.00 44.50 C ATOM 548 C SER A 37 -2.488 10.138 3.563 1.00 31.22 C ATOM 549 O SER A 37 -2.817 9.006 3.912 1.00 62.33 O ATOM 550 CB SER A 37 -4.103 11.910 4.322 1.00 75.01 C ATOM 551 OG SER A 37 -4.981 12.951 3.920 1.00 12.32 O ATOM 0 H SER A 37 -5.508 10.390 2.909 1.00 23.30 H new ATOM 0 HA SER A 37 -3.088 11.859 2.428 1.00 44.50 H new ATOM 0 HB2 SER A 37 -4.631 11.220 4.980 1.00 75.01 H new ATOM 0 HB3 SER A 37 -3.277 12.329 4.896 1.00 75.01 H new ATOM 0 HG SER A 37 -5.318 13.419 4.712 1.00 12.32 H new ATOM 557 N ILE A 38 -1.223 10.560 3.573 1.00 72.52 N ATOM 558 CA ILE A 38 -0.093 9.671 3.914 1.00 24.30 C ATOM 559 C ILE A 38 -0.326 8.903 5.231 1.00 51.13 C ATOM 560 O ILE A 38 -0.023 7.714 5.325 1.00 53.24 O ATOM 561 CB ILE A 38 1.238 10.466 4.001 1.00 31.51 C ATOM 562 CG1 ILE A 38 1.537 11.160 2.658 1.00 44.32 C ATOM 563 CG2 ILE A 38 2.397 9.553 4.408 1.00 22.24 C ATOM 564 CD1 ILE A 38 1.726 10.207 1.498 1.00 50.32 C ATOM 0 H ILE A 38 -0.946 11.516 3.349 1.00 72.52 H new ATOM 0 HA ILE A 38 -0.023 8.940 3.108 1.00 24.30 H new ATOM 0 HB ILE A 38 1.129 11.231 4.770 1.00 31.51 H new ATOM 0 HG12 ILE A 38 0.720 11.842 2.424 1.00 44.32 H new ATOM 0 HG13 ILE A 38 2.437 11.766 2.767 1.00 44.32 H new ATOM 0 HG21 ILE A 38 3.317 10.135 4.461 1.00 22.24 H new ATOM 0 HG22 ILE A 38 2.189 9.113 5.383 1.00 22.24 H new ATOM 0 HG23 ILE A 38 2.512 8.760 3.669 1.00 22.24 H new ATOM 0 HD11 ILE A 38 1.932 10.775 0.591 1.00 50.32 H new ATOM 0 HD12 ILE A 38 2.563 9.541 1.707 1.00 50.32 H new ATOM 0 HD13 ILE A 38 0.819 9.618 1.359 1.00 50.32 H new ATOM 576 N TYR A 39 -0.870 9.585 6.240 1.00 22.13 N ATOM 577 CA TYR A 39 -1.218 8.937 7.511 1.00 21.01 C ATOM 578 C TYR A 39 -2.241 7.810 7.293 1.00 33.14 C ATOM 579 O TYR A 39 -2.006 6.660 7.670 1.00 21.42 O ATOM 580 CB TYR A 39 -1.773 9.977 8.498 1.00 32.23 C ATOM 581 CG TYR A 39 -2.231 9.388 9.824 1.00 44.10 C ATOM 582 CD1 TYR A 39 -1.329 8.761 10.676 1.00 70.34 C ATOM 583 CD2 TYR A 39 -3.565 9.458 10.223 1.00 34.42 C ATOM 584 CE1 TYR A 39 -1.740 8.218 11.878 1.00 1.02 C ATOM 585 CE2 TYR A 39 -3.981 8.919 11.427 1.00 41.20 C ATOM 586 CZ TYR A 39 -3.067 8.298 12.249 1.00 62.22 C ATOM 587 OH TYR A 39 -3.478 7.758 13.450 1.00 23.34 O ATOM 0 H TYR A 39 -1.080 10.583 6.205 1.00 22.13 H new ATOM 0 HA TYR A 39 -0.313 8.496 7.930 1.00 21.01 H new ATOM 0 HB2 TYR A 39 -1.005 10.726 8.691 1.00 32.23 H new ATOM 0 HB3 TYR A 39 -2.612 10.493 8.032 1.00 32.23 H new ATOM 0 HD1 TYR A 39 -0.289 8.697 10.393 1.00 70.34 H new ATOM 0 HD2 TYR A 39 -4.286 9.942 9.581 1.00 34.42 H new ATOM 0 HE1 TYR A 39 -1.025 7.732 12.526 1.00 1.02 H new ATOM 0 HE2 TYR A 39 -5.018 8.985 11.721 1.00 41.20 H new ATOM 0 HH TYR A 39 -4.441 7.900 13.560 1.00 23.34 H new ATOM 597 N GLN A 40 -3.367 8.155 6.669 1.00 4.41 N ATOM 598 CA GLN A 40 -4.419 7.186 6.326 1.00 64.05 C ATOM 599 C GLN A 40 -3.843 5.979 5.554 1.00 64.13 C ATOM 600 O GLN A 40 -4.149 4.821 5.858 1.00 31.12 O ATOM 601 CB GLN A 40 -5.496 7.898 5.486 1.00 22.31 C ATOM 602 CG GLN A 40 -6.693 7.036 5.089 1.00 4.32 C ATOM 603 CD GLN A 40 -7.591 6.659 6.260 1.00 5.24 C ATOM 604 OE1 GLN A 40 -7.139 6.461 7.386 1.00 15.13 O ATOM 605 NE2 GLN A 40 -8.880 6.568 6.003 1.00 32.24 N ATOM 0 H GLN A 40 -3.580 9.111 6.385 1.00 4.41 H new ATOM 0 HA GLN A 40 -4.860 6.802 7.246 1.00 64.05 H new ATOM 0 HB2 GLN A 40 -5.860 8.759 6.047 1.00 22.31 H new ATOM 0 HB3 GLN A 40 -5.030 8.282 4.579 1.00 22.31 H new ATOM 0 HG2 GLN A 40 -7.285 7.571 4.346 1.00 4.32 H new ATOM 0 HG3 GLN A 40 -6.331 6.125 4.612 1.00 4.32 H new ATOM 0 HE21 GLN A 40 -9.225 6.738 5.058 1.00 32.24 H new ATOM 0 HE22 GLN A 40 -9.533 6.328 6.749 1.00 32.24 H new ATOM 614 N VAL A 41 -2.995 6.264 4.565 1.00 63.21 N ATOM 615 CA VAL A 41 -2.342 5.219 3.768 1.00 72.31 C ATOM 616 C VAL A 41 -1.456 4.321 4.648 1.00 5.23 C ATOM 617 O VAL A 41 -1.556 3.094 4.593 1.00 41.35 O ATOM 618 CB VAL A 41 -1.485 5.827 2.629 1.00 2.51 C ATOM 619 CG1 VAL A 41 -0.817 4.733 1.799 1.00 3.14 C ATOM 620 CG2 VAL A 41 -2.336 6.728 1.736 1.00 25.13 C ATOM 0 H VAL A 41 -2.742 7.214 4.294 1.00 63.21 H new ATOM 0 HA VAL A 41 -3.135 4.615 3.327 1.00 72.31 H new ATOM 0 HB VAL A 41 -0.702 6.431 3.087 1.00 2.51 H new ATOM 0 HG11 VAL A 41 -0.222 5.189 1.007 1.00 3.14 H new ATOM 0 HG12 VAL A 41 -0.170 4.134 2.440 1.00 3.14 H new ATOM 0 HG13 VAL A 41 -1.581 4.094 1.357 1.00 3.14 H new ATOM 0 HG21 VAL A 41 -1.715 7.145 0.943 1.00 25.13 H new ATOM 0 HG22 VAL A 41 -3.145 6.145 1.296 1.00 25.13 H new ATOM 0 HG23 VAL A 41 -2.756 7.538 2.332 1.00 25.13 H new ATOM 630 N ARG A 42 -0.603 4.941 5.471 1.00 60.42 N ATOM 631 CA ARG A 42 0.277 4.191 6.375 1.00 30.14 C ATOM 632 C ARG A 42 -0.522 3.296 7.324 1.00 35.42 C ATOM 633 O ARG A 42 -0.099 2.186 7.631 1.00 44.20 O ATOM 634 CB ARG A 42 1.181 5.127 7.192 1.00 53.53 C ATOM 635 CG ARG A 42 2.279 5.807 6.377 1.00 32.52 C ATOM 636 CD ARG A 42 3.365 6.399 7.276 1.00 75.04 C ATOM 637 NE ARG A 42 2.867 7.475 8.138 1.00 0.50 N ATOM 638 CZ ARG A 42 2.590 7.338 9.412 1.00 22.24 C ATOM 639 NH1 ARG A 42 2.621 6.171 9.982 1.00 60.24 N ATOM 640 NH2 ARG A 42 2.248 8.371 10.110 1.00 22.04 N ATOM 0 H ARG A 42 -0.503 5.954 5.530 1.00 60.42 H new ATOM 0 HA ARG A 42 0.905 3.561 5.744 1.00 30.14 H new ATOM 0 HB2 ARG A 42 0.563 5.894 7.659 1.00 53.53 H new ATOM 0 HB3 ARG A 42 1.643 4.556 7.997 1.00 53.53 H new ATOM 0 HG2 ARG A 42 2.726 5.085 5.694 1.00 32.52 H new ATOM 0 HG3 ARG A 42 1.842 6.596 5.765 1.00 32.52 H new ATOM 0 HD2 ARG A 42 3.787 5.609 7.897 1.00 75.04 H new ATOM 0 HD3 ARG A 42 4.175 6.783 6.655 1.00 75.04 H new ATOM 0 HE ARG A 42 2.726 8.394 7.718 1.00 0.50 H new ATOM 0 HH11 ARG A 42 2.864 5.344 9.437 1.00 60.24 H new ATOM 0 HH12 ARG A 42 2.403 6.082 10.974 1.00 60.24 H new ATOM 0 HH21 ARG A 42 2.194 9.289 9.669 1.00 22.04 H new ATOM 0 HH22 ARG A 42 2.032 8.268 11.101 1.00 22.04 H new ATOM 654 N LEU A 43 -1.680 3.772 7.779 1.00 43.12 N ATOM 655 CA LEU A 43 -2.545 2.967 8.643 1.00 5.43 C ATOM 656 C LEU A 43 -2.897 1.644 7.958 1.00 4.34 C ATOM 657 O LEU A 43 -2.692 0.568 8.511 1.00 53.00 O ATOM 658 CB LEU A 43 -3.831 3.729 8.998 1.00 70.44 C ATOM 659 CG LEU A 43 -3.644 4.991 9.857 1.00 1.05 C ATOM 660 CD1 LEU A 43 -4.988 5.672 10.114 1.00 1.53 C ATOM 661 CD2 LEU A 43 -2.948 4.652 11.176 1.00 1.31 C ATOM 0 H LEU A 43 -2.040 4.703 7.567 1.00 43.12 H new ATOM 0 HA LEU A 43 -2.001 2.759 9.565 1.00 5.43 H new ATOM 0 HB2 LEU A 43 -4.330 4.013 8.072 1.00 70.44 H new ATOM 0 HB3 LEU A 43 -4.500 3.049 9.525 1.00 70.44 H new ATOM 0 HG LEU A 43 -3.009 5.686 9.307 1.00 1.05 H new ATOM 0 HD11 LEU A 43 -4.834 6.563 10.723 1.00 1.53 H new ATOM 0 HD12 LEU A 43 -5.439 5.956 9.164 1.00 1.53 H new ATOM 0 HD13 LEU A 43 -5.650 4.983 10.639 1.00 1.53 H new ATOM 0 HD21 LEU A 43 -2.826 5.560 11.767 1.00 1.31 H new ATOM 0 HD22 LEU A 43 -3.552 3.935 11.732 1.00 1.31 H new ATOM 0 HD23 LEU A 43 -1.969 4.219 10.970 1.00 1.31 H new ATOM 673 N TYR A 44 -3.397 1.734 6.730 1.00 13.33 N ATOM 674 CA TYR A 44 -3.776 0.537 5.974 1.00 43.53 C ATOM 675 C TYR A 44 -2.559 -0.351 5.648 1.00 43.33 C ATOM 676 O TYR A 44 -2.618 -1.570 5.805 1.00 3.03 O ATOM 677 CB TYR A 44 -4.506 0.930 4.682 1.00 30.51 C ATOM 678 CG TYR A 44 -5.813 1.661 4.927 1.00 50.45 C ATOM 679 CD1 TYR A 44 -6.786 1.120 5.764 1.00 43.44 C ATOM 680 CD2 TYR A 44 -6.069 2.897 4.341 1.00 62.41 C ATOM 681 CE1 TYR A 44 -7.972 1.782 6.001 1.00 74.21 C ATOM 682 CE2 TYR A 44 -7.254 3.567 4.580 1.00 65.22 C ATOM 683 CZ TYR A 44 -8.200 3.004 5.410 1.00 64.43 C ATOM 684 OH TYR A 44 -9.380 3.669 5.659 1.00 60.20 O ATOM 0 H TYR A 44 -3.550 2.614 6.237 1.00 13.33 H new ATOM 0 HA TYR A 44 -4.448 -0.046 6.604 1.00 43.53 H new ATOM 0 HB2 TYR A 44 -3.852 1.562 4.082 1.00 30.51 H new ATOM 0 HB3 TYR A 44 -4.705 0.031 4.098 1.00 30.51 H new ATOM 0 HD1 TYR A 44 -6.608 0.165 6.236 1.00 43.44 H new ATOM 0 HD2 TYR A 44 -5.330 3.340 3.689 1.00 62.41 H new ATOM 0 HE1 TYR A 44 -8.718 1.344 6.647 1.00 74.21 H new ATOM 0 HE2 TYR A 44 -7.438 4.526 4.119 1.00 65.22 H new ATOM 0 HH TYR A 44 -9.702 3.440 6.556 1.00 60.20 H new ATOM 694 N LEU A 45 -1.454 0.265 5.223 1.00 5.22 N ATOM 695 CA LEU A 45 -0.242 -0.480 4.842 1.00 2.04 C ATOM 696 C LEU A 45 0.390 -1.198 6.045 1.00 54.40 C ATOM 697 O LEU A 45 0.697 -2.391 5.981 1.00 14.21 O ATOM 698 CB LEU A 45 0.788 0.460 4.202 1.00 32.34 C ATOM 699 CG LEU A 45 0.330 1.162 2.914 1.00 24.12 C ATOM 700 CD1 LEU A 45 1.451 2.027 2.346 1.00 11.33 C ATOM 701 CD2 LEU A 45 -0.148 0.142 1.882 1.00 13.35 C ATOM 0 H LEU A 45 -1.369 1.277 5.132 1.00 5.22 H new ATOM 0 HA LEU A 45 -0.543 -1.236 4.117 1.00 2.04 H new ATOM 0 HB2 LEU A 45 1.063 1.221 4.932 1.00 32.34 H new ATOM 0 HB3 LEU A 45 1.690 -0.112 3.983 1.00 32.34 H new ATOM 0 HG LEU A 45 -0.510 1.812 3.159 1.00 24.12 H new ATOM 0 HD11 LEU A 45 1.107 2.516 1.434 1.00 11.33 H new ATOM 0 HD12 LEU A 45 1.734 2.783 3.078 1.00 11.33 H new ATOM 0 HD13 LEU A 45 2.314 1.401 2.119 1.00 11.33 H new ATOM 0 HD21 LEU A 45 -0.467 0.661 0.978 1.00 13.35 H new ATOM 0 HD22 LEU A 45 0.667 -0.540 1.640 1.00 13.35 H new ATOM 0 HD23 LEU A 45 -0.985 -0.424 2.291 1.00 13.35 H new ATOM 713 N GLU A 46 0.590 -0.464 7.138 1.00 24.44 N ATOM 714 CA GLU A 46 1.183 -1.033 8.351 1.00 5.41 C ATOM 715 C GLU A 46 0.303 -2.145 8.944 1.00 31.03 C ATOM 716 O GLU A 46 0.816 -3.115 9.505 1.00 44.34 O ATOM 717 CB GLU A 46 1.454 0.063 9.395 1.00 31.05 C ATOM 718 CG GLU A 46 2.530 1.061 8.966 1.00 63.01 C ATOM 719 CD GLU A 46 2.940 2.021 10.075 1.00 0.25 C ATOM 720 OE1 GLU A 46 3.720 1.609 10.964 1.00 51.14 O ATOM 721 OE2 GLU A 46 2.505 3.195 10.059 1.00 62.53 O ATOM 0 H GLU A 46 0.351 0.525 7.211 1.00 24.44 H new ATOM 0 HA GLU A 46 2.135 -1.482 8.069 1.00 5.41 H new ATOM 0 HB2 GLU A 46 0.528 0.602 9.593 1.00 31.05 H new ATOM 0 HB3 GLU A 46 1.757 -0.405 10.332 1.00 31.05 H new ATOM 0 HG2 GLU A 46 3.409 0.513 8.626 1.00 63.01 H new ATOM 0 HG3 GLU A 46 2.164 1.635 8.115 1.00 63.01 H new ATOM 728 N GLN A 47 -1.021 -2.011 8.826 1.00 42.00 N ATOM 729 CA GLN A 47 -1.931 -3.085 9.250 1.00 34.32 C ATOM 730 C GLN A 47 -1.797 -4.312 8.336 1.00 55.44 C ATOM 731 O GLN A 47 -1.661 -5.438 8.815 1.00 24.33 O ATOM 732 CB GLN A 47 -3.387 -2.603 9.277 1.00 2.51 C ATOM 733 CG GLN A 47 -3.676 -1.520 10.315 1.00 52.13 C ATOM 734 CD GLN A 47 -3.449 -1.964 11.757 1.00 52.03 C ATOM 735 OE1 GLN A 47 -2.590 -2.792 12.052 1.00 31.13 O ATOM 736 NE2 GLN A 47 -4.229 -1.427 12.669 1.00 33.32 N ATOM 0 H GLN A 47 -1.484 -1.185 8.447 1.00 42.00 H new ATOM 0 HA GLN A 47 -1.647 -3.372 10.262 1.00 34.32 H new ATOM 0 HB2 GLN A 47 -3.649 -2.222 8.290 1.00 2.51 H new ATOM 0 HB3 GLN A 47 -4.036 -3.457 9.471 1.00 2.51 H new ATOM 0 HG2 GLN A 47 -3.045 -0.656 10.108 1.00 52.13 H new ATOM 0 HG3 GLN A 47 -4.710 -1.193 10.205 1.00 52.13 H new ATOM 0 HE21 GLN A 47 -4.934 -0.742 12.398 1.00 33.32 H new ATOM 0 HE22 GLN A 47 -4.129 -1.695 13.648 1.00 33.32 H new ATOM 745 N LEU A 48 -1.819 -4.089 7.019 1.00 61.00 N ATOM 746 CA LEU A 48 -1.608 -5.174 6.049 1.00 3.35 C ATOM 747 C LEU A 48 -0.247 -5.855 6.272 1.00 32.32 C ATOM 748 O LEU A 48 -0.093 -7.053 6.045 1.00 1.24 O ATOM 749 CB LEU A 48 -1.709 -4.649 4.610 1.00 2.24 C ATOM 750 CG LEU A 48 -3.109 -4.183 4.176 1.00 32.13 C ATOM 751 CD1 LEU A 48 -3.076 -3.613 2.756 1.00 2.03 C ATOM 752 CD2 LEU A 48 -4.115 -5.329 4.277 1.00 71.21 C ATOM 0 H LEU A 48 -1.980 -3.173 6.599 1.00 61.00 H new ATOM 0 HA LEU A 48 -2.393 -5.914 6.203 1.00 3.35 H new ATOM 0 HB2 LEU A 48 -1.015 -3.816 4.495 1.00 2.24 H new ATOM 0 HB3 LEU A 48 -1.379 -5.435 3.930 1.00 2.24 H new ATOM 0 HG LEU A 48 -3.428 -3.390 4.852 1.00 32.13 H new ATOM 0 HD11 LEU A 48 -4.077 -3.290 2.470 1.00 2.03 H new ATOM 0 HD12 LEU A 48 -2.396 -2.762 2.721 1.00 2.03 H new ATOM 0 HD13 LEU A 48 -2.731 -4.381 2.064 1.00 2.03 H new ATOM 0 HD21 LEU A 48 -5.099 -4.978 3.965 1.00 71.21 H new ATOM 0 HD22 LEU A 48 -3.800 -6.148 3.630 1.00 71.21 H new ATOM 0 HD23 LEU A 48 -4.165 -5.680 5.308 1.00 71.21 H new ATOM 764 N HIS A 49 0.737 -5.079 6.713 1.00 64.45 N ATOM 765 CA HIS A 49 2.045 -5.625 7.092 1.00 71.40 C ATOM 766 C HIS A 49 1.940 -6.485 8.361 1.00 41.23 C ATOM 767 O HIS A 49 2.492 -7.582 8.428 1.00 13.30 O ATOM 768 CB HIS A 49 3.058 -4.490 7.300 1.00 52.01 C ATOM 769 CG HIS A 49 4.368 -4.927 7.893 1.00 1.42 C ATOM 770 ND1 HIS A 49 4.986 -6.119 7.578 1.00 62.10 N ATOM 771 CD2 HIS A 49 5.178 -4.320 8.795 1.00 25.12 C ATOM 772 CE1 HIS A 49 6.110 -6.227 8.255 1.00 1.45 C ATOM 773 NE2 HIS A 49 6.254 -5.148 8.998 1.00 51.35 N ATOM 0 H HIS A 49 0.658 -4.068 6.819 1.00 64.45 H new ATOM 0 HA HIS A 49 2.392 -6.263 6.279 1.00 71.40 H new ATOM 0 HB2 HIS A 49 3.250 -4.010 6.340 1.00 52.01 H new ATOM 0 HB3 HIS A 49 2.613 -3.737 7.950 1.00 52.01 H new ATOM 0 HD1 HIS A 49 4.627 -6.811 6.921 1.00 62.10 H new ATOM 0 HD2 HIS A 49 5.008 -3.363 9.266 1.00 25.12 H new ATOM 0 HE1 HIS A 49 6.797 -7.059 8.209 1.00 1.45 H new ATOM 782 N ASP A 50 1.218 -5.977 9.354 1.00 12.44 N ATOM 783 CA ASP A 50 1.066 -6.658 10.644 1.00 62.55 C ATOM 784 C ASP A 50 0.316 -7.999 10.498 1.00 20.20 C ATOM 785 O ASP A 50 0.698 -9.007 11.099 1.00 61.21 O ATOM 786 CB ASP A 50 0.330 -5.737 11.623 1.00 62.40 C ATOM 787 CG ASP A 50 0.350 -6.260 13.046 1.00 34.15 C ATOM 788 OD1 ASP A 50 1.447 -6.332 13.639 1.00 24.20 O ATOM 789 OD2 ASP A 50 -0.725 -6.581 13.590 1.00 4.54 O ATOM 0 H ASP A 50 0.723 -5.087 9.293 1.00 12.44 H new ATOM 0 HA ASP A 50 2.060 -6.884 11.030 1.00 62.55 H new ATOM 0 HB2 ASP A 50 0.786 -4.747 11.598 1.00 62.40 H new ATOM 0 HB3 ASP A 50 -0.704 -5.620 11.298 1.00 62.40 H new ATOM 794 N VAL A 51 -0.746 -8.006 9.691 1.00 22.13 N ATOM 795 CA VAL A 51 -1.540 -9.223 9.457 1.00 3.05 C ATOM 796 C VAL A 51 -0.811 -10.226 8.534 1.00 50.32 C ATOM 797 O VAL A 51 -1.251 -11.364 8.370 1.00 61.22 O ATOM 798 CB VAL A 51 -2.935 -8.884 8.867 1.00 74.43 C ATOM 799 CG1 VAL A 51 -3.703 -7.945 9.800 1.00 73.40 C ATOM 800 CG2 VAL A 51 -2.807 -8.279 7.472 1.00 11.12 C ATOM 0 H VAL A 51 -1.080 -7.185 9.186 1.00 22.13 H new ATOM 0 HA VAL A 51 -1.674 -9.695 10.431 1.00 3.05 H new ATOM 0 HB VAL A 51 -3.499 -9.813 8.778 1.00 74.43 H new ATOM 0 HG11 VAL A 51 -4.678 -7.720 9.368 1.00 73.40 H new ATOM 0 HG12 VAL A 51 -3.838 -8.425 10.769 1.00 73.40 H new ATOM 0 HG13 VAL A 51 -3.141 -7.020 9.929 1.00 73.40 H new ATOM 0 HG21 VAL A 51 -3.799 -8.051 7.082 1.00 11.12 H new ATOM 0 HG22 VAL A 51 -2.219 -7.363 7.525 1.00 11.12 H new ATOM 0 HG23 VAL A 51 -2.312 -8.990 6.811 1.00 11.12 H new ATOM 810 N GLY A 52 0.299 -9.795 7.926 1.00 24.43 N ATOM 811 CA GLY A 52 1.139 -10.712 7.149 1.00 32.54 C ATOM 812 C GLY A 52 0.978 -10.608 5.628 1.00 62.43 C ATOM 813 O GLY A 52 1.478 -11.461 4.894 1.00 44.43 O ATOM 0 H GLY A 52 0.633 -8.832 7.955 1.00 24.43 H new ATOM 0 HA2 GLY A 52 2.183 -10.527 7.402 1.00 32.54 H new ATOM 0 HA3 GLY A 52 0.913 -11.734 7.454 1.00 32.54 H new ATOM 817 N VAL A 53 0.285 -9.575 5.149 1.00 64.44 N ATOM 818 CA VAL A 53 0.123 -9.352 3.702 1.00 43.21 C ATOM 819 C VAL A 53 1.348 -8.637 3.102 1.00 11.11 C ATOM 820 O VAL A 53 1.944 -9.098 2.123 1.00 51.50 O ATOM 821 CB VAL A 53 -1.147 -8.513 3.397 1.00 54.02 C ATOM 822 CG1 VAL A 53 -1.293 -8.258 1.893 1.00 63.12 C ATOM 823 CG2 VAL A 53 -2.397 -9.190 3.953 1.00 15.33 C ATOM 0 H VAL A 53 -0.174 -8.878 5.735 1.00 64.44 H new ATOM 0 HA VAL A 53 0.022 -10.336 3.245 1.00 43.21 H new ATOM 0 HB VAL A 53 -1.034 -7.549 3.893 1.00 54.02 H new ATOM 0 HG11 VAL A 53 -2.191 -7.668 1.709 1.00 63.12 H new ATOM 0 HG12 VAL A 53 -0.421 -7.714 1.530 1.00 63.12 H new ATOM 0 HG13 VAL A 53 -1.371 -9.210 1.368 1.00 63.12 H new ATOM 0 HG21 VAL A 53 -3.272 -8.581 3.725 1.00 15.33 H new ATOM 0 HG22 VAL A 53 -2.511 -10.174 3.498 1.00 15.33 H new ATOM 0 HG23 VAL A 53 -2.302 -9.299 5.033 1.00 15.33 H new ATOM 833 N LEU A 54 1.718 -7.503 3.704 1.00 25.34 N ATOM 834 CA LEU A 54 2.830 -6.679 3.209 1.00 54.12 C ATOM 835 C LEU A 54 4.080 -6.802 4.098 1.00 13.12 C ATOM 836 O LEU A 54 4.004 -7.214 5.256 1.00 24.20 O ATOM 837 CB LEU A 54 2.410 -5.201 3.144 1.00 20.52 C ATOM 838 CG LEU A 54 1.220 -4.884 2.222 1.00 10.45 C ATOM 839 CD1 LEU A 54 0.877 -3.398 2.283 1.00 23.52 C ATOM 840 CD2 LEU A 54 1.525 -5.306 0.786 1.00 14.41 C ATOM 0 H LEU A 54 1.263 -7.132 4.538 1.00 25.34 H new ATOM 0 HA LEU A 54 3.078 -7.045 2.213 1.00 54.12 H new ATOM 0 HB2 LEU A 54 2.163 -4.868 4.152 1.00 20.52 H new ATOM 0 HB3 LEU A 54 3.267 -4.613 2.815 1.00 20.52 H new ATOM 0 HG LEU A 54 0.356 -5.451 2.569 1.00 10.45 H new ATOM 0 HD11 LEU A 54 0.033 -3.192 1.625 1.00 23.52 H new ATOM 0 HD12 LEU A 54 0.614 -3.127 3.306 1.00 23.52 H new ATOM 0 HD13 LEU A 54 1.739 -2.812 1.962 1.00 23.52 H new ATOM 0 HD21 LEU A 54 0.671 -5.074 0.149 1.00 14.41 H new ATOM 0 HD22 LEU A 54 2.402 -4.768 0.427 1.00 14.41 H new ATOM 0 HD23 LEU A 54 1.719 -6.378 0.755 1.00 14.41 H new ATOM 852 N GLU A 55 5.228 -6.426 3.540 1.00 71.54 N ATOM 853 CA GLU A 55 6.496 -6.374 4.280 1.00 71.30 C ATOM 854 C GLU A 55 7.173 -5.008 4.073 1.00 31.34 C ATOM 855 O GLU A 55 7.176 -4.469 2.965 1.00 71.21 O ATOM 856 CB GLU A 55 7.430 -7.514 3.826 1.00 23.21 C ATOM 857 CG GLU A 55 8.812 -7.501 4.483 1.00 12.11 C ATOM 858 CD GLU A 55 8.758 -7.582 6.004 1.00 21.53 C ATOM 859 OE1 GLU A 55 8.713 -8.703 6.549 1.00 3.41 O ATOM 860 OE2 GLU A 55 8.769 -6.522 6.666 1.00 42.13 O ATOM 0 H GLU A 55 5.310 -6.148 2.562 1.00 71.54 H new ATOM 0 HA GLU A 55 6.288 -6.503 5.342 1.00 71.30 H new ATOM 0 HB2 GLU A 55 6.949 -8.468 4.040 1.00 23.21 H new ATOM 0 HB3 GLU A 55 7.555 -7.456 2.745 1.00 23.21 H new ATOM 0 HG2 GLU A 55 9.395 -8.339 4.102 1.00 12.11 H new ATOM 0 HG3 GLU A 55 9.336 -6.590 4.193 1.00 12.11 H new ATOM 867 N LYS A 56 7.746 -4.457 5.139 1.00 25.52 N ATOM 868 CA LYS A 56 8.360 -3.127 5.084 1.00 34.54 C ATOM 869 C LYS A 56 9.838 -3.206 4.671 1.00 13.33 C ATOM 870 O LYS A 56 10.706 -3.570 5.473 1.00 11.03 O ATOM 871 CB LYS A 56 8.236 -2.430 6.445 1.00 45.15 C ATOM 872 CG LYS A 56 8.829 -1.019 6.475 1.00 61.34 C ATOM 873 CD LYS A 56 8.751 -0.392 7.865 1.00 3.34 C ATOM 874 CE LYS A 56 9.535 -1.196 8.897 1.00 32.32 C ATOM 875 NZ LYS A 56 9.473 -0.582 10.249 1.00 33.42 N ATOM 0 H LYS A 56 7.800 -4.908 6.052 1.00 25.52 H new ATOM 0 HA LYS A 56 7.828 -2.547 4.330 1.00 34.54 H new ATOM 0 HB2 LYS A 56 7.183 -2.377 6.720 1.00 45.15 H new ATOM 0 HB3 LYS A 56 8.733 -3.039 7.201 1.00 45.15 H new ATOM 0 HG2 LYS A 56 9.870 -1.057 6.153 1.00 61.34 H new ATOM 0 HG3 LYS A 56 8.298 -0.388 5.763 1.00 61.34 H new ATOM 0 HD2 LYS A 56 9.139 0.626 7.826 1.00 3.34 H new ATOM 0 HD3 LYS A 56 7.708 -0.324 8.174 1.00 3.34 H new ATOM 0 HE2 LYS A 56 9.140 -2.211 8.942 1.00 32.32 H new ATOM 0 HE3 LYS A 56 10.576 -1.273 8.582 1.00 32.32 H new ATOM 0 HZ1 LYS A 56 10.019 -1.161 10.919 1.00 33.42 H new ATOM 0 HZ2 LYS A 56 9.874 0.377 10.213 1.00 33.42 H new ATOM 0 HZ3 LYS A 56 8.483 -0.532 10.562 1.00 33.42 H new ATOM 889 N VAL A 57 10.117 -2.870 3.419 1.00 54.01 N ATOM 890 CA VAL A 57 11.490 -2.813 2.919 1.00 23.14 C ATOM 891 C VAL A 57 12.173 -1.506 3.362 1.00 24.41 C ATOM 892 O VAL A 57 12.046 -0.466 2.707 1.00 31.40 O ATOM 893 CB VAL A 57 11.532 -2.927 1.370 1.00 11.33 C ATOM 894 CG1 VAL A 57 12.970 -2.961 0.854 1.00 65.34 C ATOM 895 CG2 VAL A 57 10.752 -4.153 0.896 1.00 72.25 C ATOM 0 H VAL A 57 9.409 -2.631 2.725 1.00 54.01 H new ATOM 0 HA VAL A 57 12.029 -3.661 3.342 1.00 23.14 H new ATOM 0 HB VAL A 57 11.054 -2.039 0.957 1.00 11.33 H new ATOM 0 HG11 VAL A 57 12.965 -3.041 -0.233 1.00 65.34 H new ATOM 0 HG12 VAL A 57 13.484 -2.046 1.148 1.00 65.34 H new ATOM 0 HG13 VAL A 57 13.489 -3.821 1.279 1.00 65.34 H new ATOM 0 HG21 VAL A 57 10.795 -4.213 -0.191 1.00 72.25 H new ATOM 0 HG22 VAL A 57 11.191 -5.053 1.327 1.00 72.25 H new ATOM 0 HG23 VAL A 57 9.713 -4.069 1.214 1.00 72.25 H new ATOM 905 N ASN A 58 12.872 -1.558 4.491 1.00 25.31 N ATOM 906 CA ASN A 58 13.540 -0.372 5.042 1.00 15.04 C ATOM 907 C ASN A 58 14.886 -0.736 5.684 1.00 50.43 C ATOM 908 O ASN A 58 14.952 -1.574 6.586 1.00 73.43 O ATOM 909 CB ASN A 58 12.625 0.314 6.062 1.00 23.42 C ATOM 910 CG ASN A 58 13.233 1.585 6.623 1.00 32.23 C ATOM 911 OD1 ASN A 58 13.901 1.565 7.648 1.00 14.41 O ATOM 912 ND2 ASN A 58 13.024 2.699 5.949 1.00 33.42 N ATOM 0 H ASN A 58 12.994 -2.405 5.046 1.00 25.31 H new ATOM 0 HA ASN A 58 13.742 0.318 4.223 1.00 15.04 H new ATOM 0 HB2 ASN A 58 11.671 0.549 5.590 1.00 23.42 H new ATOM 0 HB3 ASN A 58 12.415 -0.376 6.879 1.00 23.42 H new ATOM 0 HD21 ASN A 58 13.424 3.577 6.279 1.00 33.42 H new ATOM 0 HD22 ASN A 58 12.462 2.682 5.098 1.00 33.42 H new ATOM 919 N ALA A 59 15.956 -0.101 5.202 1.00 74.43 N ATOM 920 CA ALA A 59 17.312 -0.355 5.700 1.00 33.15 C ATOM 921 C ALA A 59 17.536 0.201 7.119 1.00 21.32 C ATOM 922 O ALA A 59 18.445 -0.242 7.825 1.00 72.13 O ATOM 923 CB ALA A 59 18.337 0.231 4.734 1.00 42.12 C ATOM 0 H ALA A 59 15.910 0.599 4.461 1.00 74.43 H new ATOM 0 HA ALA A 59 17.438 -1.436 5.761 1.00 33.15 H new ATOM 0 HB1 ALA A 59 19.342 0.039 5.109 1.00 42.12 H new ATOM 0 HB2 ALA A 59 18.221 -0.233 3.755 1.00 42.12 H new ATOM 0 HB3 ALA A 59 18.182 1.306 4.647 1.00 42.12 H new ATOM 929 N GLY A 60 16.726 1.178 7.525 1.00 2.12 N ATOM 930 CA GLY A 60 16.852 1.756 8.860 1.00 2.23 C ATOM 931 C GLY A 60 16.531 3.249 8.910 1.00 15.42 C ATOM 932 O GLY A 60 15.945 3.803 7.977 1.00 34.21 O ATOM 0 H GLY A 60 15.983 1.582 6.955 1.00 2.12 H new ATOM 0 HA2 GLY A 60 16.186 1.226 9.541 1.00 2.23 H new ATOM 0 HA3 GLY A 60 17.868 1.599 9.221 1.00 2.23 H new ATOM 936 N LYS A 61 16.923 3.894 10.009 1.00 35.24 N ATOM 937 CA LYS A 61 16.668 5.325 10.225 1.00 24.53 C ATOM 938 C LYS A 61 17.297 6.188 9.118 1.00 33.13 C ATOM 939 O LYS A 61 18.523 6.218 8.961 1.00 12.12 O ATOM 940 CB LYS A 61 17.234 5.749 11.588 1.00 2.54 C ATOM 941 CG LYS A 61 16.678 4.953 12.768 1.00 11.40 C ATOM 942 CD LYS A 61 17.459 5.230 14.054 1.00 41.21 C ATOM 943 CE LYS A 61 17.356 6.688 14.495 1.00 71.25 C ATOM 944 NZ LYS A 61 18.244 6.977 15.653 1.00 63.43 N ATOM 0 H LYS A 61 17.425 3.444 10.774 1.00 35.24 H new ATOM 0 HA LYS A 61 15.589 5.480 10.201 1.00 24.53 H new ATOM 0 HB2 LYS A 61 18.318 5.641 11.569 1.00 2.54 H new ATOM 0 HB3 LYS A 61 17.022 6.807 11.745 1.00 2.54 H new ATOM 0 HG2 LYS A 61 15.629 5.208 12.917 1.00 11.40 H new ATOM 0 HG3 LYS A 61 16.718 3.888 12.540 1.00 11.40 H new ATOM 0 HD2 LYS A 61 17.085 4.585 14.849 1.00 41.21 H new ATOM 0 HD3 LYS A 61 18.507 4.972 13.902 1.00 41.21 H new ATOM 0 HE2 LYS A 61 17.620 7.340 13.662 1.00 71.25 H new ATOM 0 HE3 LYS A 61 16.324 6.915 14.762 1.00 71.25 H new ATOM 0 HZ1 LYS A 61 18.147 7.976 15.924 1.00 63.43 H new ATOM 0 HZ2 LYS A 61 17.975 6.373 16.456 1.00 63.43 H new ATOM 0 HZ3 LYS A 61 19.231 6.784 15.390 1.00 63.43 H new ATOM 958 N GLY A 62 16.454 6.891 8.362 1.00 61.34 N ATOM 959 CA GLY A 62 16.934 7.739 7.273 1.00 31.02 C ATOM 960 C GLY A 62 16.251 7.439 5.943 1.00 13.12 C ATOM 961 O GLY A 62 15.610 8.313 5.355 1.00 72.20 O ATOM 0 H GLY A 62 15.441 6.890 8.483 1.00 61.34 H new ATOM 0 HA2 GLY A 62 16.768 8.784 7.533 1.00 31.02 H new ATOM 0 HA3 GLY A 62 18.010 7.605 7.162 1.00 31.02 H new ATOM 965 N VAL A 63 16.386 6.202 5.471 1.00 61.40 N ATOM 966 CA VAL A 63 15.774 5.786 4.202 1.00 74.21 C ATOM 967 C VAL A 63 14.237 5.696 4.302 1.00 63.10 C ATOM 968 O VAL A 63 13.686 5.484 5.387 1.00 25.15 O ATOM 969 CB VAL A 63 16.339 4.424 3.721 1.00 64.22 C ATOM 970 CG1 VAL A 63 17.836 4.526 3.435 1.00 54.31 C ATOM 971 CG2 VAL A 63 16.047 3.318 4.738 1.00 43.04 C ATOM 0 H VAL A 63 16.912 5.468 5.944 1.00 61.40 H new ATOM 0 HA VAL A 63 16.028 6.556 3.473 1.00 74.21 H new ATOM 0 HB VAL A 63 15.837 4.161 2.790 1.00 64.22 H new ATOM 0 HG11 VAL A 63 18.209 3.558 3.099 1.00 54.31 H new ATOM 0 HG12 VAL A 63 18.008 5.271 2.658 1.00 54.31 H new ATOM 0 HG13 VAL A 63 18.361 4.822 4.343 1.00 54.31 H new ATOM 0 HG21 VAL A 63 16.454 2.374 4.376 1.00 43.04 H new ATOM 0 HG22 VAL A 63 16.509 3.570 5.692 1.00 43.04 H new ATOM 0 HG23 VAL A 63 14.969 3.221 4.871 1.00 43.04 H new ATOM 981 N PRO A 64 13.520 5.862 3.169 1.00 2.42 N ATOM 982 CA PRO A 64 12.043 5.807 3.149 1.00 63.30 C ATOM 983 C PRO A 64 11.479 4.405 3.447 1.00 3.14 C ATOM 984 O PRO A 64 12.151 3.387 3.255 1.00 45.22 O ATOM 985 CB PRO A 64 11.691 6.237 1.715 1.00 1.33 C ATOM 986 CG PRO A 64 12.903 5.900 0.912 1.00 53.35 C ATOM 987 CD PRO A 64 14.078 6.127 1.824 1.00 61.14 C ATOM 0 HA PRO A 64 11.611 6.441 3.924 1.00 63.30 H new ATOM 0 HB2 PRO A 64 10.812 5.708 1.347 1.00 1.33 H new ATOM 0 HB3 PRO A 64 11.466 7.302 1.665 1.00 1.33 H new ATOM 0 HG2 PRO A 64 12.869 4.866 0.569 1.00 53.35 H new ATOM 0 HG3 PRO A 64 12.971 6.529 0.024 1.00 53.35 H new ATOM 0 HD2 PRO A 64 14.904 5.455 1.591 1.00 61.14 H new ATOM 0 HD3 PRO A 64 14.462 7.144 1.741 1.00 61.14 H new ATOM 995 N GLY A 65 10.239 4.359 3.933 1.00 44.13 N ATOM 996 CA GLY A 65 9.574 3.086 4.179 1.00 3.04 C ATOM 997 C GLY A 65 8.936 2.503 2.920 1.00 44.02 C ATOM 998 O GLY A 65 7.896 2.986 2.464 1.00 52.34 O ATOM 0 H GLY A 65 9.681 5.182 4.161 1.00 44.13 H new ATOM 0 HA2 GLY A 65 10.296 2.374 4.579 1.00 3.04 H new ATOM 0 HA3 GLY A 65 8.806 3.223 4.941 1.00 3.04 H new ATOM 1002 N LEU A 66 9.569 1.483 2.343 1.00 20.53 N ATOM 1003 CA LEU A 66 9.039 0.807 1.150 1.00 41.11 C ATOM 1004 C LEU A 66 8.213 -0.434 1.535 1.00 30.04 C ATOM 1005 O LEU A 66 8.407 -1.010 2.605 1.00 55.22 O ATOM 1006 CB LEU A 66 10.190 0.409 0.218 1.00 65.51 C ATOM 1007 CG LEU A 66 11.061 1.576 -0.282 1.00 63.11 C ATOM 1008 CD1 LEU A 66 12.239 1.062 -1.104 1.00 33.15 C ATOM 1009 CD2 LEU A 66 10.224 2.562 -1.095 1.00 21.44 C ATOM 0 H LEU A 66 10.453 1.102 2.680 1.00 20.53 H new ATOM 0 HA LEU A 66 8.380 1.502 0.629 1.00 41.11 H new ATOM 0 HB2 LEU A 66 10.829 -0.303 0.740 1.00 65.51 H new ATOM 0 HB3 LEU A 66 9.774 -0.109 -0.646 1.00 65.51 H new ATOM 0 HG LEU A 66 11.459 2.100 0.587 1.00 63.11 H new ATOM 0 HD11 LEU A 66 12.839 1.905 -1.446 1.00 33.15 H new ATOM 0 HD12 LEU A 66 12.853 0.405 -0.488 1.00 33.15 H new ATOM 0 HD13 LEU A 66 11.867 0.508 -1.966 1.00 33.15 H new ATOM 0 HD21 LEU A 66 10.857 3.379 -1.439 1.00 21.44 H new ATOM 0 HD22 LEU A 66 9.792 2.050 -1.955 1.00 21.44 H new ATOM 0 HD23 LEU A 66 9.424 2.961 -0.471 1.00 21.44 H new ATOM 1021 N TRP A 67 7.299 -0.846 0.657 1.00 42.12 N ATOM 1022 CA TRP A 67 6.394 -1.970 0.949 1.00 13.41 C ATOM 1023 C TRP A 67 6.405 -3.028 -0.167 1.00 1.41 C ATOM 1024 O TRP A 67 6.577 -2.709 -1.341 1.00 42.11 O ATOM 1025 CB TRP A 67 4.961 -1.454 1.140 1.00 14.14 C ATOM 1026 CG TRP A 67 4.845 -0.396 2.197 1.00 23.31 C ATOM 1027 CD1 TRP A 67 4.807 0.956 2.006 1.00 75.13 C ATOM 1028 CD2 TRP A 67 4.768 -0.603 3.611 1.00 24.44 C ATOM 1029 NE1 TRP A 67 4.695 1.599 3.215 1.00 74.52 N ATOM 1030 CE2 TRP A 67 4.672 0.663 4.215 1.00 54.11 C ATOM 1031 CE3 TRP A 67 4.766 -1.742 4.422 1.00 12.10 C ATOM 1032 CZ2 TRP A 67 4.577 0.821 5.596 1.00 32.23 C ATOM 1033 CZ3 TRP A 67 4.672 -1.585 5.789 1.00 44.43 C ATOM 1034 CH2 TRP A 67 4.578 -0.312 6.366 1.00 33.44 C ATOM 0 H TRP A 67 7.162 -0.423 -0.261 1.00 42.12 H new ATOM 0 HA TRP A 67 6.751 -2.441 1.865 1.00 13.41 H new ATOM 0 HB2 TRP A 67 4.598 -1.053 0.194 1.00 14.14 H new ATOM 0 HB3 TRP A 67 4.313 -2.291 1.401 1.00 14.14 H new ATOM 0 HD1 TRP A 67 4.858 1.447 1.046 1.00 75.13 H new ATOM 0 HE1 TRP A 67 4.638 2.609 3.347 1.00 74.52 H new ATOM 0 HE3 TRP A 67 4.837 -2.727 3.986 1.00 12.10 H new ATOM 0 HZ2 TRP A 67 4.505 1.801 6.043 1.00 32.23 H new ATOM 0 HZ3 TRP A 67 4.671 -2.458 6.425 1.00 44.43 H new ATOM 0 HH2 TRP A 67 4.505 -0.222 7.440 1.00 33.44 H new ATOM 1045 N ARG A 68 6.222 -4.293 0.211 1.00 50.14 N ATOM 1046 CA ARG A 68 6.088 -5.383 -0.767 1.00 1.44 C ATOM 1047 C ARG A 68 5.216 -6.520 -0.214 1.00 13.54 C ATOM 1048 O ARG A 68 5.374 -6.927 0.933 1.00 42.32 O ATOM 1049 CB ARG A 68 7.469 -5.930 -1.167 1.00 73.33 C ATOM 1050 CG ARG A 68 8.195 -6.690 -0.058 1.00 21.22 C ATOM 1051 CD ARG A 68 9.519 -7.270 -0.549 1.00 51.14 C ATOM 1052 NE ARG A 68 10.161 -8.111 0.460 1.00 1.43 N ATOM 1053 CZ ARG A 68 11.443 -8.346 0.513 1.00 64.25 C ATOM 1054 NH1 ARG A 68 12.251 -7.825 -0.356 1.00 11.33 N ATOM 1055 NH2 ARG A 68 11.916 -9.116 1.437 1.00 3.31 N ATOM 0 H ARG A 68 6.163 -4.592 1.184 1.00 50.14 H new ATOM 0 HA ARG A 68 5.601 -4.973 -1.652 1.00 1.44 H new ATOM 0 HB2 ARG A 68 7.349 -6.591 -2.025 1.00 73.33 H new ATOM 0 HB3 ARG A 68 8.095 -5.099 -1.490 1.00 73.33 H new ATOM 0 HG2 ARG A 68 8.380 -6.021 0.782 1.00 21.22 H new ATOM 0 HG3 ARG A 68 7.558 -7.495 0.310 1.00 21.22 H new ATOM 0 HD2 ARG A 68 9.345 -7.857 -1.451 1.00 51.14 H new ATOM 0 HD3 ARG A 68 10.191 -6.457 -0.823 1.00 51.14 H new ATOM 0 HE ARG A 68 9.568 -8.542 1.169 1.00 1.43 H new ATOM 0 HH11 ARG A 68 11.887 -7.222 -1.094 1.00 11.33 H new ATOM 0 HH12 ARG A 68 13.251 -8.018 -0.302 1.00 11.33 H new ATOM 0 HH21 ARG A 68 11.287 -9.537 2.121 1.00 3.31 H new ATOM 0 HH22 ARG A 68 12.918 -9.302 1.482 1.00 3.31 H new ATOM 1069 N LEU A 69 4.287 -7.021 -1.024 1.00 13.04 N ATOM 1070 CA LEU A 69 3.443 -8.152 -0.612 1.00 65.31 C ATOM 1071 C LEU A 69 4.187 -9.490 -0.731 1.00 10.11 C ATOM 1072 O LEU A 69 4.968 -9.706 -1.661 1.00 22.10 O ATOM 1073 CB LEU A 69 2.119 -8.168 -1.406 1.00 0.31 C ATOM 1074 CG LEU A 69 2.216 -7.964 -2.936 1.00 42.23 C ATOM 1075 CD1 LEU A 69 2.748 -9.207 -3.644 1.00 3.31 C ATOM 1076 CD2 LEU A 69 0.859 -7.566 -3.508 1.00 41.24 C ATOM 0 H LEU A 69 4.096 -6.669 -1.962 1.00 13.04 H new ATOM 0 HA LEU A 69 3.200 -8.016 0.442 1.00 65.31 H new ATOM 0 HB2 LEU A 69 1.625 -9.122 -1.222 1.00 0.31 H new ATOM 0 HB3 LEU A 69 1.471 -7.390 -1.001 1.00 0.31 H new ATOM 0 HG LEU A 69 2.927 -7.157 -3.113 1.00 42.23 H new ATOM 0 HD11 LEU A 69 2.800 -9.020 -4.717 1.00 3.31 H new ATOM 0 HD12 LEU A 69 3.744 -9.442 -3.268 1.00 3.31 H new ATOM 0 HD13 LEU A 69 2.081 -10.048 -3.454 1.00 3.31 H new ATOM 0 HD21 LEU A 69 0.945 -7.426 -4.586 1.00 41.24 H new ATOM 0 HD22 LEU A 69 0.132 -8.352 -3.301 1.00 41.24 H new ATOM 0 HD23 LEU A 69 0.529 -6.635 -3.047 1.00 41.24 H new ATOM 1088 N LEU A 70 3.952 -10.383 0.229 1.00 24.52 N ATOM 1089 CA LEU A 70 4.612 -11.698 0.244 1.00 43.01 C ATOM 1090 C LEU A 70 3.589 -12.847 0.305 1.00 51.33 C ATOM 1091 O LEU A 70 3.871 -13.959 -0.152 1.00 11.30 O ATOM 1092 CB LEU A 70 5.609 -11.816 1.418 1.00 13.32 C ATOM 1093 CG LEU A 70 5.015 -11.709 2.843 1.00 50.43 C ATOM 1094 CD1 LEU A 70 5.973 -12.302 3.878 1.00 71.45 C ATOM 1095 CD2 LEU A 70 4.696 -10.260 3.206 1.00 53.50 C ATOM 0 H LEU A 70 3.312 -10.225 1.007 1.00 24.52 H new ATOM 0 HA LEU A 70 5.166 -11.782 -0.691 1.00 43.01 H new ATOM 0 HB2 LEU A 70 6.123 -12.774 1.334 1.00 13.32 H new ATOM 0 HB3 LEU A 70 6.364 -11.038 1.304 1.00 13.32 H new ATOM 0 HG LEU A 70 4.086 -12.279 2.851 1.00 50.43 H new ATOM 0 HD11 LEU A 70 5.534 -12.215 4.872 1.00 71.45 H new ATOM 0 HD12 LEU A 70 6.150 -13.353 3.650 1.00 71.45 H new ATOM 0 HD13 LEU A 70 6.919 -11.761 3.851 1.00 71.45 H new ATOM 0 HD21 LEU A 70 4.280 -10.220 4.213 1.00 53.50 H new ATOM 0 HD22 LEU A 70 5.609 -9.666 3.166 1.00 53.50 H new ATOM 0 HD23 LEU A 70 3.971 -9.859 2.498 1.00 53.50 H new ATOM 1107 N GLU A 71 2.412 -12.574 0.867 1.00 11.33 N ATOM 1108 CA GLU A 71 1.345 -13.583 0.978 1.00 61.04 C ATOM 1109 C GLU A 71 0.347 -13.476 -0.197 1.00 61.44 C ATOM 1110 O GLU A 71 0.468 -14.261 -1.165 1.00 37.59 O ATOM 1111 CB GLU A 71 0.605 -13.418 2.318 1.00 31.52 C ATOM 1112 CG GLU A 71 -0.421 -14.515 2.602 1.00 33.22 C ATOM 1113 CD GLU A 71 -1.281 -14.219 3.822 1.00 42.24 C ATOM 1114 OE1 GLU A 71 -0.841 -14.510 4.956 1.00 43.53 O ATOM 1115 OE2 GLU A 71 -2.403 -13.694 3.652 1.00 13.53 O ATOM 0 H GLU A 71 2.168 -11.663 1.255 1.00 11.33 H new ATOM 0 HA GLU A 71 1.806 -14.570 0.938 1.00 61.04 H new ATOM 0 HB2 GLU A 71 1.337 -13.402 3.126 1.00 31.52 H new ATOM 0 HB3 GLU A 71 0.100 -12.452 2.326 1.00 31.52 H new ATOM 0 HG2 GLU A 71 -1.065 -14.638 1.731 1.00 33.22 H new ATOM 0 HG3 GLU A 71 0.098 -15.462 2.751 1.00 33.22 H new TER 1122 GLU A 71