USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.27) USER MOD Single : A 6 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-0.75) USER MOD Single : A 11 GLN : amide:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 12 THR OG1 : rot 71:sc= 0.00533 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.82) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0294 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 156:sc= -0.0881 (180deg=-0.447) USER MOD Single : A 24 THR OG1 : rot -64:sc= 0.157 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.013) USER MOD Single : A 37 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.4!) USER MOD Single : A 39 THR OG1 : rot -134:sc= -0.432 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.018 (180deg=-0.367) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= -0.435 (180deg=-0.435) USER MOD Single : A 56 CYS SG : rot -4:sc= 0.00387 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 8.346 1.130 6.264 1.00 50.11 N ATOM 2 CA LEU A 1 9.315 1.905 5.497 1.00 2.21 C ATOM 3 C LEU A 1 9.387 1.414 4.055 1.00 75.12 C ATOM 4 O LEU A 1 9.539 0.219 3.801 1.00 25.11 O ATOM 5 CB LEU A 1 10.697 1.817 6.147 1.00 62.21 C ATOM 6 CG LEU A 1 10.874 2.588 7.455 1.00 3.22 C ATOM 7 CD1 LEU A 1 11.260 1.644 8.583 1.00 2.24 C ATOM 8 CD2 LEU A 1 11.919 3.682 7.292 1.00 41.41 C ATOM 0 H1 LEU A 1 8.315 1.483 7.242 1.00 50.11 H new ATOM 0 H2 LEU A 1 7.405 1.225 5.832 1.00 50.11 H new ATOM 0 H3 LEU A 1 8.626 0.128 6.266 1.00 50.11 H new ATOM 0 HA LEU A 1 8.988 2.945 5.491 1.00 2.21 H new ATOM 0 HB2 LEU A 1 10.922 0.767 6.334 1.00 62.21 H new ATOM 0 HB3 LEU A 1 11.436 2.179 5.432 1.00 62.21 H new ATOM 0 HG LEU A 1 9.923 3.056 7.710 1.00 3.22 H new ATOM 0 HD11 LEU A 1 11.382 2.211 9.506 1.00 2.24 H new ATOM 0 HD12 LEU A 1 10.477 0.897 8.716 1.00 2.24 H new ATOM 0 HD13 LEU A 1 12.198 1.147 8.336 1.00 2.24 H new ATOM 0 HD21 LEU A 1 12.032 4.221 8.233 1.00 41.41 H new ATOM 0 HD22 LEU A 1 12.873 3.235 7.013 1.00 41.41 H new ATOM 0 HD23 LEU A 1 11.602 4.375 6.513 1.00 41.41 H new ATOM 20 N LYS A 2 9.277 2.344 3.112 1.00 13.13 N ATOM 21 CA LYS A 2 9.332 2.008 1.695 1.00 61.24 C ATOM 22 C LYS A 2 9.928 3.156 0.886 1.00 22.31 C ATOM 23 O LYS A 2 10.162 4.242 1.414 1.00 14.30 O ATOM 24 CB LYS A 2 7.932 1.676 1.173 1.00 22.31 C ATOM 25 CG LYS A 2 7.376 0.370 1.714 1.00 73.12 C ATOM 26 CD LYS A 2 6.522 0.597 2.950 1.00 25.14 C ATOM 27 CE LYS A 2 5.083 0.923 2.582 1.00 21.23 C ATOM 28 NZ LYS A 2 4.129 -0.080 3.132 1.00 64.33 N ATOM 0 H LYS A 2 9.149 3.337 3.305 1.00 13.13 H new ATOM 0 HA LYS A 2 9.973 1.134 1.580 1.00 61.24 H new ATOM 0 HB2 LYS A 2 7.253 2.487 1.436 1.00 22.31 H new ATOM 0 HB3 LYS A 2 7.961 1.626 0.085 1.00 22.31 H new ATOM 0 HG2 LYS A 2 6.780 -0.120 0.944 1.00 73.12 H new ATOM 0 HG3 LYS A 2 8.198 -0.303 1.957 1.00 73.12 H new ATOM 0 HD2 LYS A 2 6.545 -0.294 3.578 1.00 25.14 H new ATOM 0 HD3 LYS A 2 6.942 1.413 3.539 1.00 25.14 H new ATOM 0 HE2 LYS A 2 4.827 1.913 2.960 1.00 21.23 H new ATOM 0 HE3 LYS A 2 4.985 0.961 1.497 1.00 21.23 H new ATOM 0 HZ1 LYS A 2 3.159 0.178 2.859 1.00 64.33 H new ATOM 0 HZ2 LYS A 2 4.357 -1.021 2.752 1.00 64.33 H new ATOM 0 HZ3 LYS A 2 4.204 -0.098 4.169 1.00 64.33 H new ATOM 42 N GLU A 3 10.170 2.907 -0.397 1.00 65.51 N ATOM 43 CA GLU A 3 10.739 3.921 -1.277 1.00 73.34 C ATOM 44 C GLU A 3 10.127 3.834 -2.673 1.00 0.42 C ATOM 45 O GLU A 3 10.834 3.904 -3.677 1.00 60.31 O ATOM 46 CB GLU A 3 12.258 3.760 -1.364 1.00 32.23 C ATOM 47 CG GLU A 3 12.988 4.185 -0.101 1.00 13.03 C ATOM 48 CD GLU A 3 14.489 3.998 -0.203 1.00 71.32 C ATOM 49 OE1 GLU A 3 15.227 4.753 0.464 1.00 63.25 O ATOM 50 OE2 GLU A 3 14.925 3.097 -0.950 1.00 24.03 O ATOM 0 H GLU A 3 9.981 2.013 -0.850 1.00 65.51 H new ATOM 0 HA GLU A 3 10.509 4.900 -0.857 1.00 73.34 H new ATOM 0 HB2 GLU A 3 12.493 2.717 -1.576 1.00 32.23 H new ATOM 0 HB3 GLU A 3 12.630 4.347 -2.204 1.00 32.23 H new ATOM 0 HG2 GLU A 3 12.770 5.233 0.105 1.00 13.03 H new ATOM 0 HG3 GLU A 3 12.611 3.609 0.744 1.00 13.03 H new ATOM 57 N ASN A 4 8.808 3.682 -2.726 1.00 13.12 N ATOM 58 CA ASN A 4 8.100 3.585 -3.997 1.00 60.03 C ATOM 59 C ASN A 4 7.745 4.970 -4.529 1.00 53.13 C ATOM 60 O ASN A 4 7.895 5.972 -3.830 1.00 41.21 O ATOM 61 CB ASN A 4 6.830 2.747 -3.835 1.00 51.41 C ATOM 62 CG ASN A 4 7.040 1.297 -4.226 1.00 53.45 C ATOM 63 OD1 ASN A 4 7.575 1.002 -5.295 1.00 53.54 O ATOM 64 ND2 ASN A 4 6.618 0.384 -3.360 1.00 33.10 N ATOM 0 H ASN A 4 8.208 3.623 -1.903 1.00 13.12 H new ATOM 0 HA ASN A 4 8.759 3.098 -4.715 1.00 60.03 H new ATOM 0 HB2 ASN A 4 6.495 2.796 -2.799 1.00 51.41 H new ATOM 0 HB3 ASN A 4 6.036 3.174 -4.447 1.00 51.41 H new ATOM 0 HD21 ASN A 4 6.732 -0.608 -3.569 1.00 33.10 H new ATOM 0 HD22 ASN A 4 6.180 0.674 -2.486 1.00 33.10 H new ATOM 71 N ASP A 5 7.272 5.018 -5.770 1.00 24.21 N ATOM 72 CA ASP A 5 6.894 6.279 -6.396 1.00 13.42 C ATOM 73 C ASP A 5 5.839 7.003 -5.565 1.00 13.10 C ATOM 74 O ASP A 5 5.980 8.187 -5.258 1.00 0.22 O ATOM 75 CB ASP A 5 6.366 6.033 -7.810 1.00 44.53 C ATOM 76 CG ASP A 5 7.464 5.629 -8.775 1.00 53.11 C ATOM 77 OD1 ASP A 5 7.469 4.459 -9.212 1.00 30.25 O ATOM 78 OD2 ASP A 5 8.317 6.483 -9.094 1.00 53.25 O ATOM 0 H ASP A 5 7.141 4.198 -6.362 1.00 24.21 H new ATOM 0 HA ASP A 5 7.782 6.909 -6.453 1.00 13.42 H new ATOM 0 HB2 ASP A 5 5.606 5.252 -7.780 1.00 44.53 H new ATOM 0 HB3 ASP A 5 5.879 6.937 -8.176 1.00 44.53 H new ATOM 83 N HIS A 6 4.780 6.284 -5.205 1.00 24.31 N ATOM 84 CA HIS A 6 3.701 6.858 -4.410 1.00 34.42 C ATOM 85 C HIS A 6 4.139 7.057 -2.962 1.00 73.10 C ATOM 86 O HIS A 6 3.619 7.923 -2.260 1.00 14.32 O ATOM 87 CB HIS A 6 2.466 5.957 -4.462 1.00 22.21 C ATOM 88 CG HIS A 6 1.219 6.621 -3.966 1.00 32.12 C ATOM 89 ND1 HIS A 6 0.273 5.971 -3.201 1.00 4.02 N ATOM 90 CD2 HIS A 6 0.764 7.886 -4.128 1.00 65.42 C ATOM 91 CE1 HIS A 6 -0.709 6.807 -2.916 1.00 32.45 C ATOM 92 NE2 HIS A 6 -0.435 7.975 -3.466 1.00 52.52 N ATOM 0 H HIS A 6 4.647 5.303 -5.451 1.00 24.31 H new ATOM 0 HA HIS A 6 3.450 7.831 -4.832 1.00 34.42 H new ATOM 0 HB2 HIS A 6 2.309 5.629 -5.489 1.00 22.21 H new ATOM 0 HB3 HIS A 6 2.653 5.063 -3.867 1.00 22.21 H new ATOM 0 HD2 HIS A 6 1.253 8.678 -4.676 1.00 65.42 H new ATOM 0 HE1 HIS A 6 -1.587 6.574 -2.332 1.00 32.45 H new ATOM 0 HE2 HIS A 6 -1.020 8.809 -3.408 1.00 52.52 H new ATOM 100 N ALA A 7 5.098 6.248 -2.522 1.00 54.54 N ATOM 101 CA ALA A 7 5.606 6.337 -1.159 1.00 41.13 C ATOM 102 C ALA A 7 6.346 7.651 -0.934 1.00 2.13 C ATOM 103 O ALA A 7 5.983 8.436 -0.058 1.00 2.51 O ATOM 104 CB ALA A 7 6.518 5.157 -0.858 1.00 43.05 C ATOM 0 H ALA A 7 5.538 5.524 -3.090 1.00 54.54 H new ATOM 0 HA ALA A 7 4.756 6.308 -0.478 1.00 41.13 H new ATOM 0 HB1 ALA A 7 6.890 5.236 0.163 1.00 43.05 H new ATOM 0 HB2 ALA A 7 5.959 4.228 -0.970 1.00 43.05 H new ATOM 0 HB3 ALA A 7 7.359 5.161 -1.552 1.00 43.05 H new ATOM 110 N ARG A 8 7.386 7.883 -1.729 1.00 14.53 N ATOM 111 CA ARG A 8 8.178 9.102 -1.614 1.00 31.10 C ATOM 112 C ARG A 8 7.291 10.339 -1.716 1.00 55.12 C ATOM 113 O ARG A 8 7.444 11.291 -0.951 1.00 31.04 O ATOM 114 CB ARG A 8 9.253 9.141 -2.702 1.00 31.04 C ATOM 115 CG ARG A 8 10.005 10.460 -2.767 1.00 64.12 C ATOM 116 CD ARG A 8 11.508 10.249 -2.674 1.00 25.02 C ATOM 117 NE ARG A 8 12.244 11.153 -3.554 1.00 52.02 N ATOM 118 CZ ARG A 8 12.323 10.994 -4.871 1.00 24.45 C ATOM 119 NH1 ARG A 8 11.716 9.971 -5.456 1.00 32.23 N ATOM 120 NH2 ARG A 8 13.012 11.859 -5.604 1.00 74.14 N ATOM 0 H ARG A 8 7.699 7.243 -2.459 1.00 14.53 H new ATOM 0 HA ARG A 8 8.660 9.102 -0.636 1.00 31.10 H new ATOM 0 HB2 ARG A 8 9.965 8.335 -2.527 1.00 31.04 H new ATOM 0 HB3 ARG A 8 8.787 8.950 -3.669 1.00 31.04 H new ATOM 0 HG2 ARG A 8 9.765 10.971 -3.699 1.00 64.12 H new ATOM 0 HG3 ARG A 8 9.676 11.108 -1.954 1.00 64.12 H new ATOM 0 HD2 ARG A 8 11.832 10.402 -1.645 1.00 25.02 H new ATOM 0 HD3 ARG A 8 11.746 9.217 -2.933 1.00 25.02 H new ATOM 0 HE ARG A 8 12.723 11.950 -3.135 1.00 52.02 H new ATOM 0 HH11 ARG A 8 11.187 9.303 -4.895 1.00 32.23 H new ATOM 0 HH12 ARG A 8 11.778 9.851 -6.467 1.00 32.23 H new ATOM 0 HH21 ARG A 8 13.481 12.646 -5.157 1.00 74.14 H new ATOM 0 HH22 ARG A 8 13.072 11.737 -6.615 1.00 74.14 H new ATOM 134 N PHE A 9 6.363 10.318 -2.667 1.00 53.33 N ATOM 135 CA PHE A 9 5.452 11.439 -2.871 1.00 74.41 C ATOM 136 C PHE A 9 4.642 11.718 -1.608 1.00 61.11 C ATOM 137 O PHE A 9 4.520 12.865 -1.176 1.00 52.02 O ATOM 138 CB PHE A 9 4.509 11.150 -4.041 1.00 52.43 C ATOM 139 CG PHE A 9 4.913 11.830 -5.318 1.00 40.41 C ATOM 140 CD1 PHE A 9 5.113 13.201 -5.356 1.00 32.15 C ATOM 141 CD2 PHE A 9 5.093 11.099 -6.481 1.00 74.11 C ATOM 142 CE1 PHE A 9 5.485 13.830 -6.529 1.00 21.32 C ATOM 143 CE2 PHE A 9 5.465 11.722 -7.657 1.00 43.11 C ATOM 144 CZ PHE A 9 5.661 13.089 -7.681 1.00 55.33 C ATOM 0 H PHE A 9 6.222 9.538 -3.308 1.00 53.33 H new ATOM 0 HA PHE A 9 6.048 12.322 -3.102 1.00 74.41 H new ATOM 0 HB2 PHE A 9 4.470 10.074 -4.208 1.00 52.43 H new ATOM 0 HB3 PHE A 9 3.502 11.468 -3.772 1.00 52.43 H new ATOM 0 HD1 PHE A 9 4.976 13.785 -4.458 1.00 32.15 H new ATOM 0 HD2 PHE A 9 4.941 10.030 -6.468 1.00 74.11 H new ATOM 0 HE1 PHE A 9 5.638 14.899 -6.545 1.00 21.32 H new ATOM 0 HE2 PHE A 9 5.602 11.140 -8.557 1.00 43.11 H new ATOM 0 HZ PHE A 9 5.951 13.578 -8.599 1.00 55.33 H new ATOM 154 N LEU A 10 4.091 10.662 -1.021 1.00 33.24 N ATOM 155 CA LEU A 10 3.292 10.792 0.193 1.00 32.21 C ATOM 156 C LEU A 10 4.159 11.220 1.373 1.00 50.04 C ATOM 157 O LEU A 10 3.724 11.993 2.226 1.00 31.51 O ATOM 158 CB LEU A 10 2.594 9.468 0.512 1.00 2.32 C ATOM 159 CG LEU A 10 1.077 9.534 0.686 1.00 15.43 C ATOM 160 CD1 LEU A 10 0.380 8.714 -0.388 1.00 32.32 C ATOM 161 CD2 LEU A 10 0.677 9.051 2.073 1.00 61.33 C ATOM 0 H LEU A 10 4.182 9.706 -1.365 1.00 33.24 H new ATOM 0 HA LEU A 10 2.539 11.561 0.022 1.00 32.21 H new ATOM 0 HB2 LEU A 10 2.818 8.761 -0.287 1.00 2.32 H new ATOM 0 HB3 LEU A 10 3.027 9.063 1.427 1.00 2.32 H new ATOM 0 HG LEU A 10 0.764 10.573 0.581 1.00 15.43 H new ATOM 0 HD11 LEU A 10 -0.699 8.773 -0.248 1.00 32.32 H new ATOM 0 HD12 LEU A 10 0.640 9.106 -1.371 1.00 32.32 H new ATOM 0 HD13 LEU A 10 0.699 7.674 -0.316 1.00 32.32 H new ATOM 0 HD21 LEU A 10 -0.407 9.105 2.179 1.00 61.33 H new ATOM 0 HD22 LEU A 10 1.004 8.020 2.207 1.00 61.33 H new ATOM 0 HD23 LEU A 10 1.147 9.682 2.828 1.00 61.33 H new ATOM 173 N GLN A 11 5.388 10.714 1.412 1.00 55.45 N ATOM 174 CA GLN A 11 6.316 11.046 2.486 1.00 50.43 C ATOM 175 C GLN A 11 6.557 12.551 2.552 1.00 73.13 C ATOM 176 O GLN A 11 6.867 13.096 3.612 1.00 72.52 O ATOM 177 CB GLN A 11 7.644 10.314 2.285 1.00 33.23 C ATOM 178 CG GLN A 11 7.701 8.960 2.974 1.00 64.45 C ATOM 179 CD GLN A 11 9.036 8.702 3.644 1.00 65.12 C ATOM 180 OE1 GLN A 11 9.093 8.284 4.801 1.00 50.32 O ATOM 181 NE2 GLN A 11 10.121 8.950 2.919 1.00 71.03 N ATOM 0 H GLN A 11 5.763 10.073 0.713 1.00 55.45 H new ATOM 0 HA GLN A 11 5.871 10.726 3.428 1.00 50.43 H new ATOM 0 HB2 GLN A 11 7.816 10.177 1.217 1.00 33.23 H new ATOM 0 HB3 GLN A 11 8.454 10.938 2.661 1.00 33.23 H new ATOM 0 HG2 GLN A 11 6.908 8.902 3.719 1.00 64.45 H new ATOM 0 HG3 GLN A 11 7.509 8.176 2.242 1.00 64.45 H new ATOM 0 HE21 GLN A 11 10.028 9.296 1.964 1.00 71.03 H new ATOM 0 HE22 GLN A 11 11.047 8.795 3.317 1.00 71.03 H new ATOM 190 N THR A 12 6.412 13.219 1.411 1.00 2.13 N ATOM 191 CA THR A 12 6.615 14.660 1.339 1.00 4.40 C ATOM 192 C THR A 12 5.383 15.414 1.824 1.00 15.41 C ATOM 193 O THR A 12 5.471 16.260 2.714 1.00 74.20 O ATOM 194 CB THR A 12 6.946 15.110 -0.097 1.00 21.23 C ATOM 195 OG1 THR A 12 8.178 14.518 -0.524 1.00 4.45 O ATOM 196 CG2 THR A 12 7.050 16.625 -0.179 1.00 53.31 C ATOM 0 H THR A 12 6.155 12.784 0.525 1.00 2.13 H new ATOM 0 HA THR A 12 7.459 14.893 1.989 1.00 4.40 H new ATOM 0 HB THR A 12 6.139 14.781 -0.752 1.00 21.23 H new ATOM 0 HG1 THR A 12 8.046 13.558 -0.671 1.00 4.45 H new ATOM 0 HG21 THR A 12 7.284 16.919 -1.202 1.00 53.31 H new ATOM 0 HG22 THR A 12 6.101 17.071 0.118 1.00 53.31 H new ATOM 0 HG23 THR A 12 7.839 16.972 0.488 1.00 53.31 H new ATOM 204 N ALA A 13 4.233 15.102 1.234 1.00 44.33 N ATOM 205 CA ALA A 13 2.982 15.749 1.608 1.00 31.02 C ATOM 206 C ALA A 13 2.764 15.692 3.116 1.00 4.04 C ATOM 207 O ALA A 13 2.387 16.686 3.738 1.00 61.31 O ATOM 208 CB ALA A 13 1.814 15.100 0.880 1.00 42.33 C ATOM 0 H ALA A 13 4.143 14.405 0.495 1.00 44.33 H new ATOM 0 HA ALA A 13 3.042 16.797 1.315 1.00 31.02 H new ATOM 0 HB1 ALA A 13 0.886 15.593 1.169 1.00 42.33 H new ATOM 0 HB2 ALA A 13 1.957 15.197 -0.196 1.00 42.33 H new ATOM 0 HB3 ALA A 13 1.761 14.044 1.145 1.00 42.33 H new ATOM 214 N LYS A 14 3.004 14.523 3.700 1.00 31.23 N ATOM 215 CA LYS A 14 2.835 14.335 5.136 1.00 10.34 C ATOM 216 C LYS A 14 3.918 15.077 5.913 1.00 11.41 C ATOM 217 O LYS A 14 3.631 15.766 6.891 1.00 3.41 O ATOM 218 CB LYS A 14 2.873 12.846 5.485 1.00 74.41 C ATOM 219 CG LYS A 14 1.699 12.390 6.335 1.00 3.11 C ATOM 220 CD LYS A 14 1.008 11.181 5.729 1.00 73.43 C ATOM 221 CE LYS A 14 -0.057 10.622 6.661 1.00 64.33 C ATOM 222 NZ LYS A 14 -0.549 9.292 6.206 1.00 55.23 N ATOM 0 H LYS A 14 3.317 13.691 3.200 1.00 31.23 H new ATOM 0 HA LYS A 14 1.865 14.743 5.418 1.00 10.34 H new ATOM 0 HB2 LYS A 14 2.890 12.266 4.563 1.00 74.41 H new ATOM 0 HB3 LYS A 14 3.800 12.629 6.015 1.00 74.41 H new ATOM 0 HG2 LYS A 14 2.048 12.146 7.338 1.00 3.11 H new ATOM 0 HG3 LYS A 14 0.984 13.206 6.437 1.00 3.11 H new ATOM 0 HD2 LYS A 14 0.552 11.460 4.779 1.00 73.43 H new ATOM 0 HD3 LYS A 14 1.746 10.409 5.514 1.00 73.43 H new ATOM 0 HE2 LYS A 14 0.352 10.533 7.668 1.00 64.33 H new ATOM 0 HE3 LYS A 14 -0.893 11.319 6.717 1.00 64.33 H new ATOM 0 HZ1 LYS A 14 -1.273 8.945 6.867 1.00 55.23 H new ATOM 0 HZ2 LYS A 14 -0.962 9.381 5.256 1.00 55.23 H new ATOM 0 HZ3 LYS A 14 0.244 8.620 6.177 1.00 55.23 H new ATOM 236 N ASN A 15 5.162 14.933 5.470 1.00 64.44 N ATOM 237 CA ASN A 15 6.288 15.590 6.123 1.00 1.41 C ATOM 238 C ASN A 15 6.084 17.102 6.167 1.00 20.33 C ATOM 239 O ASN A 15 6.662 17.792 7.007 1.00 24.12 O ATOM 240 CB ASN A 15 7.592 15.262 5.393 1.00 72.31 C ATOM 241 CG ASN A 15 8.771 16.047 5.933 1.00 0.32 C ATOM 242 OD1 ASN A 15 8.888 16.261 7.140 1.00 63.20 O ATOM 243 ND2 ASN A 15 9.652 16.482 5.039 1.00 33.13 N ATOM 0 H ASN A 15 5.416 14.367 4.661 1.00 64.44 H new ATOM 0 HA ASN A 15 6.349 15.218 7.146 1.00 1.41 H new ATOM 0 HB2 ASN A 15 7.797 14.195 5.484 1.00 72.31 H new ATOM 0 HB3 ASN A 15 7.474 15.475 4.331 1.00 72.31 H new ATOM 0 HD21 ASN A 15 10.466 17.017 5.343 1.00 33.13 H new ATOM 0 HD22 ASN A 15 9.515 16.281 4.048 1.00 33.13 H new ATOM 250 N ILE A 16 5.258 17.608 5.258 1.00 10.53 N ATOM 251 CA ILE A 16 4.976 19.037 5.195 1.00 44.22 C ATOM 252 C ILE A 16 4.043 19.464 6.323 1.00 42.23 C ATOM 253 O ILE A 16 4.339 20.398 7.069 1.00 23.24 O ATOM 254 CB ILE A 16 4.344 19.427 3.845 1.00 24.05 C ATOM 255 CG1 ILE A 16 5.343 19.208 2.707 1.00 24.24 C ATOM 256 CG2 ILE A 16 3.879 20.875 3.877 1.00 11.03 C ATOM 257 CD1 ILE A 16 4.696 18.780 1.409 1.00 32.10 C ATOM 0 H ILE A 16 4.772 17.050 4.555 1.00 10.53 H new ATOM 0 HA ILE A 16 5.931 19.552 5.302 1.00 44.22 H new ATOM 0 HB ILE A 16 3.477 18.791 3.669 1.00 24.05 H new ATOM 0 HG12 ILE A 16 5.899 20.131 2.540 1.00 24.24 H new ATOM 0 HG13 ILE A 16 6.066 18.451 3.010 1.00 24.24 H new ATOM 0 HG21 ILE A 16 3.435 21.136 2.916 1.00 11.03 H new ATOM 0 HG22 ILE A 16 3.138 21.002 4.666 1.00 11.03 H new ATOM 0 HG23 ILE A 16 4.731 21.527 4.072 1.00 11.03 H new ATOM 0 HD11 ILE A 16 5.464 18.643 0.647 1.00 32.10 H new ATOM 0 HD12 ILE A 16 4.164 17.841 1.560 1.00 32.10 H new ATOM 0 HD13 ILE A 16 3.994 19.547 1.082 1.00 32.10 H new ATOM 269 N THR A 17 2.914 18.773 6.443 1.00 53.33 N ATOM 270 CA THR A 17 1.937 19.080 7.480 1.00 72.22 C ATOM 271 C THR A 17 2.403 18.576 8.841 1.00 44.31 C ATOM 272 O THR A 17 1.948 19.055 9.879 1.00 41.32 O ATOM 273 CB THR A 17 0.564 18.460 7.159 1.00 74.10 C ATOM 274 OG1 THR A 17 0.455 18.211 5.753 1.00 20.10 O ATOM 275 CG2 THR A 17 -0.563 19.380 7.605 1.00 61.03 C ATOM 0 H THR A 17 2.654 17.997 5.835 1.00 53.33 H new ATOM 0 HA THR A 17 1.840 20.165 7.511 1.00 72.22 H new ATOM 0 HB THR A 17 0.480 17.518 7.702 1.00 74.10 H new ATOM 0 HG1 THR A 17 -0.420 17.815 5.558 1.00 20.10 H new ATOM 0 HG21 THR A 17 -1.523 18.921 7.368 1.00 61.03 H new ATOM 0 HG22 THR A 17 -0.495 19.544 8.680 1.00 61.03 H new ATOM 0 HG23 THR A 17 -0.480 20.335 7.087 1.00 61.03 H new ATOM 283 N GLU A 18 3.314 17.608 8.828 1.00 3.11 N ATOM 284 CA GLU A 18 3.842 17.040 10.063 1.00 11.33 C ATOM 285 C GLU A 18 4.890 17.961 10.681 1.00 11.44 C ATOM 286 O GLU A 18 4.954 18.115 11.901 1.00 3.41 O ATOM 287 CB GLU A 18 4.451 15.662 9.798 1.00 43.24 C ATOM 288 CG GLU A 18 5.112 15.043 11.018 1.00 40.40 C ATOM 289 CD GLU A 18 4.524 13.693 11.378 1.00 72.10 C ATOM 290 OE1 GLU A 18 3.757 13.624 12.361 1.00 32.32 O ATOM 291 OE2 GLU A 18 4.830 12.706 10.677 1.00 23.24 O ATOM 0 H GLU A 18 3.701 17.201 7.977 1.00 3.11 H new ATOM 0 HA GLU A 18 3.016 16.935 10.766 1.00 11.33 H new ATOM 0 HB2 GLU A 18 3.670 14.992 9.439 1.00 43.24 H new ATOM 0 HB3 GLU A 18 5.189 15.748 9.000 1.00 43.24 H new ATOM 0 HG2 GLU A 18 6.180 14.932 10.831 1.00 40.40 H new ATOM 0 HG3 GLU A 18 5.006 15.719 11.866 1.00 40.40 H new ATOM 298 N ARG A 19 5.709 18.571 9.831 1.00 61.24 N ATOM 299 CA ARG A 19 6.755 19.475 10.292 1.00 4.03 C ATOM 300 C ARG A 19 6.154 20.758 10.859 1.00 62.10 C ATOM 301 O ARG A 19 6.530 21.207 11.942 1.00 65.13 O ATOM 302 CB ARG A 19 7.712 19.810 9.146 1.00 13.22 C ATOM 303 CG ARG A 19 9.018 20.435 9.606 1.00 4.44 C ATOM 304 CD ARG A 19 9.316 21.723 8.854 1.00 75.25 C ATOM 305 NE ARG A 19 10.600 22.300 9.242 1.00 54.11 N ATOM 306 CZ ARG A 19 11.104 23.403 8.699 1.00 33.24 C ATOM 307 NH1 ARG A 19 10.435 24.044 7.751 1.00 45.23 N ATOM 308 NH2 ARG A 19 12.279 23.866 9.106 1.00 14.52 N ATOM 0 H ARG A 19 5.668 18.455 8.818 1.00 61.24 H new ATOM 0 HA ARG A 19 7.310 18.973 11.084 1.00 4.03 H new ATOM 0 HB2 ARG A 19 7.931 18.899 8.589 1.00 13.22 H new ATOM 0 HB3 ARG A 19 7.215 20.493 8.457 1.00 13.22 H new ATOM 0 HG2 ARG A 19 8.967 20.640 10.675 1.00 4.44 H new ATOM 0 HG3 ARG A 19 9.834 19.728 9.456 1.00 4.44 H new ATOM 0 HD2 ARG A 19 9.317 21.525 7.782 1.00 75.25 H new ATOM 0 HD3 ARG A 19 8.522 22.445 9.044 1.00 75.25 H new ATOM 0 HE ARG A 19 11.139 21.831 9.970 1.00 54.11 H new ATOM 0 HH11 ARG A 19 9.531 23.691 7.437 1.00 45.23 H new ATOM 0 HH12 ARG A 19 10.824 24.891 7.336 1.00 45.23 H new ATOM 0 HH21 ARG A 19 12.796 23.375 9.836 1.00 14.52 H new ATOM 0 HH22 ARG A 19 12.666 24.713 8.689 1.00 14.52 H new ATOM 322 N VAL A 20 5.218 21.344 10.119 1.00 31.32 N ATOM 323 CA VAL A 20 4.564 22.574 10.548 1.00 40.43 C ATOM 324 C VAL A 20 3.969 22.423 11.943 1.00 13.40 C ATOM 325 O VAL A 20 4.132 23.296 12.796 1.00 34.53 O ATOM 326 CB VAL A 20 3.450 22.988 9.568 1.00 13.32 C ATOM 327 CG1 VAL A 20 2.483 21.836 9.341 1.00 63.02 C ATOM 328 CG2 VAL A 20 2.716 24.216 10.085 1.00 52.51 C ATOM 0 H VAL A 20 4.896 20.987 9.220 1.00 31.32 H new ATOM 0 HA VAL A 20 5.329 23.350 10.566 1.00 40.43 H new ATOM 0 HB VAL A 20 3.907 23.241 8.611 1.00 13.32 H new ATOM 0 HG11 VAL A 20 1.703 22.147 8.646 1.00 63.02 H new ATOM 0 HG12 VAL A 20 3.022 20.985 8.924 1.00 63.02 H new ATOM 0 HG13 VAL A 20 2.030 21.549 10.290 1.00 63.02 H new ATOM 0 HG21 VAL A 20 1.932 24.495 9.381 1.00 52.51 H new ATOM 0 HG22 VAL A 20 2.270 23.992 11.054 1.00 52.51 H new ATOM 0 HG23 VAL A 20 3.419 25.042 10.191 1.00 52.51 H new ATOM 338 N SER A 21 3.278 21.310 12.169 1.00 44.24 N ATOM 339 CA SER A 21 2.655 21.046 13.460 1.00 23.42 C ATOM 340 C SER A 21 3.694 21.057 14.577 1.00 5.01 C ATOM 341 O SER A 21 3.509 21.708 15.605 1.00 45.00 O ATOM 342 CB SER A 21 1.932 19.698 13.435 1.00 61.43 C ATOM 343 OG SER A 21 0.544 19.859 13.667 1.00 14.41 O ATOM 0 H SER A 21 3.136 20.577 11.474 1.00 44.24 H new ATOM 0 HA SER A 21 1.930 21.836 13.654 1.00 23.42 H new ATOM 0 HB2 SER A 21 2.089 19.216 12.470 1.00 61.43 H new ATOM 0 HB3 SER A 21 2.357 19.040 14.193 1.00 61.43 H new ATOM 0 HG SER A 21 0.105 18.983 13.644 1.00 14.41 H new ATOM 349 N MET A 22 4.788 20.331 14.367 1.00 52.41 N ATOM 350 CA MET A 22 5.858 20.258 15.355 1.00 12.51 C ATOM 351 C MET A 22 6.343 21.654 15.735 1.00 20.20 C ATOM 352 O MET A 22 6.581 21.940 16.908 1.00 55.51 O ATOM 353 CB MET A 22 7.025 19.430 14.815 1.00 73.44 C ATOM 354 CG MET A 22 7.061 18.008 15.352 1.00 12.22 C ATOM 355 SD MET A 22 8.735 17.443 15.709 1.00 4.02 S ATOM 356 CE MET A 22 9.161 18.497 17.093 1.00 15.15 C ATOM 0 H MET A 22 4.956 19.785 13.522 1.00 52.41 H new ATOM 0 HA MET A 22 5.462 19.774 16.248 1.00 12.51 H new ATOM 0 HB2 MET A 22 6.964 19.397 13.727 1.00 73.44 H new ATOM 0 HB3 MET A 22 7.961 19.929 15.067 1.00 73.44 H new ATOM 0 HG2 MET A 22 6.461 17.951 16.260 1.00 12.22 H new ATOM 0 HG3 MET A 22 6.603 17.337 14.625 1.00 12.22 H new ATOM 0 HE1 MET A 22 9.940 18.019 17.688 1.00 15.15 H new ATOM 0 HE2 MET A 22 9.524 19.455 16.722 1.00 15.15 H new ATOM 0 HE3 MET A 22 8.279 18.658 17.712 1.00 15.15 H new ATOM 366 N ALA A 23 6.488 22.517 14.735 1.00 3.54 N ATOM 367 CA ALA A 23 6.944 23.883 14.966 1.00 75.13 C ATOM 368 C ALA A 23 5.926 24.670 15.784 1.00 0.14 C ATOM 369 O ALA A 23 6.291 25.527 16.590 1.00 14.21 O ATOM 370 CB ALA A 23 7.211 24.581 13.640 1.00 32.33 C ATOM 0 H ALA A 23 6.297 22.295 13.758 1.00 3.54 H new ATOM 0 HA ALA A 23 7.873 23.839 15.535 1.00 75.13 H new ATOM 0 HB1 ALA A 23 7.551 25.600 13.827 1.00 32.33 H new ATOM 0 HB2 ALA A 23 7.980 24.037 13.091 1.00 32.33 H new ATOM 0 HB3 ALA A 23 6.294 24.607 13.051 1.00 32.33 H new ATOM 376 N THR A 24 4.647 24.375 15.573 1.00 61.31 N ATOM 377 CA THR A 24 3.577 25.056 16.290 1.00 53.13 C ATOM 378 C THR A 24 3.427 24.508 17.704 1.00 0.55 C ATOM 379 O THR A 24 3.062 25.237 18.627 1.00 72.14 O ATOM 380 CB THR A 24 2.231 24.918 15.553 1.00 11.31 C ATOM 381 OG1 THR A 24 2.338 23.935 14.518 1.00 54.14 O ATOM 382 CG2 THR A 24 1.804 26.249 14.953 1.00 15.44 C ATOM 0 H THR A 24 4.327 23.668 14.911 1.00 61.31 H new ATOM 0 HA THR A 24 3.850 26.110 16.339 1.00 53.13 H new ATOM 0 HB THR A 24 1.477 24.604 16.275 1.00 11.31 H new ATOM 0 HG1 THR A 24 2.984 24.237 13.846 1.00 54.14 H new ATOM 0 HG21 THR A 24 0.851 26.127 14.438 1.00 15.44 H new ATOM 0 HG22 THR A 24 1.695 26.988 15.747 1.00 15.44 H new ATOM 0 HG23 THR A 24 2.559 26.587 14.244 1.00 15.44 H new ATOM 390 N ALA A 25 3.712 23.221 17.869 1.00 61.11 N ATOM 391 CA ALA A 25 3.612 22.577 19.173 1.00 73.35 C ATOM 392 C ALA A 25 4.933 22.661 19.930 1.00 55.50 C ATOM 393 O ALA A 25 5.061 22.131 21.033 1.00 25.12 O ATOM 394 CB ALA A 25 3.185 21.125 19.012 1.00 22.04 C ATOM 0 H ALA A 25 4.014 22.603 17.116 1.00 61.11 H new ATOM 0 HA ALA A 25 2.856 23.105 19.755 1.00 73.35 H new ATOM 0 HB1 ALA A 25 3.114 20.656 19.993 1.00 22.04 H new ATOM 0 HB2 ALA A 25 2.214 21.084 18.519 1.00 22.04 H new ATOM 0 HB3 ALA A 25 3.921 20.594 18.408 1.00 22.04 H new ATOM 400 N SER A 26 5.911 23.331 19.330 1.00 4.31 N ATOM 401 CA SER A 26 7.224 23.481 19.947 1.00 44.44 C ATOM 402 C SER A 26 7.503 24.943 20.282 1.00 11.45 C ATOM 403 O SER A 26 8.307 25.247 21.164 1.00 54.00 O ATOM 404 CB SER A 26 8.313 22.944 19.016 1.00 72.14 C ATOM 405 OG SER A 26 9.574 22.929 19.661 1.00 23.20 O ATOM 0 H SER A 26 5.820 23.778 18.418 1.00 4.31 H new ATOM 0 HA SER A 26 7.230 22.906 20.873 1.00 44.44 H new ATOM 0 HB2 SER A 26 8.055 21.936 18.693 1.00 72.14 H new ATOM 0 HB3 SER A 26 8.367 23.562 18.120 1.00 72.14 H new ATOM 0 HG SER A 26 10.252 22.580 19.045 1.00 23.20 H new ATOM 411 N SER A 27 6.832 25.845 19.573 1.00 42.24 N ATOM 412 CA SER A 27 7.009 27.276 19.792 1.00 64.14 C ATOM 413 C SER A 27 5.843 27.852 20.588 1.00 12.04 C ATOM 414 O SER A 27 6.022 28.754 21.406 1.00 22.24 O ATOM 415 CB SER A 27 7.138 28.006 18.453 1.00 13.14 C ATOM 416 OG SER A 27 8.206 28.937 18.481 1.00 71.14 O ATOM 0 H SER A 27 6.161 25.610 18.842 1.00 42.24 H new ATOM 0 HA SER A 27 7.924 27.420 20.366 1.00 64.14 H new ATOM 0 HB2 SER A 27 7.303 27.282 17.655 1.00 13.14 H new ATOM 0 HB3 SER A 27 6.206 28.524 18.226 1.00 13.14 H new ATOM 0 HG SER A 27 8.269 29.389 17.614 1.00 71.14 H new ATOM 422 N GLN A 28 4.648 27.324 20.342 1.00 22.13 N ATOM 423 CA GLN A 28 3.452 27.786 21.036 1.00 73.11 C ATOM 424 C GLN A 28 2.827 26.659 21.852 1.00 13.43 C ATOM 425 O GLN A 28 2.115 26.906 22.826 1.00 73.41 O ATOM 426 CB GLN A 28 2.433 28.330 20.033 1.00 43.42 C ATOM 427 CG GLN A 28 2.852 29.644 19.393 1.00 2.20 C ATOM 428 CD GLN A 28 2.284 29.822 17.999 1.00 71.22 C ATOM 429 OE1 GLN A 28 2.592 29.053 17.088 1.00 74.51 O ATOM 430 NE2 GLN A 28 1.449 30.840 17.825 1.00 71.42 N ATOM 0 H GLN A 28 4.483 26.577 19.668 1.00 22.13 H new ATOM 0 HA GLN A 28 3.744 28.585 21.717 1.00 73.11 H new ATOM 0 HB2 GLN A 28 2.274 27.588 19.250 1.00 43.42 H new ATOM 0 HB3 GLN A 28 1.477 28.470 20.538 1.00 43.42 H new ATOM 0 HG2 GLN A 28 2.524 30.471 20.023 1.00 2.20 H new ATOM 0 HG3 GLN A 28 3.940 29.690 19.346 1.00 2.20 H new ATOM 0 HE21 GLN A 28 1.221 31.453 18.608 1.00 71.42 H new ATOM 0 HE22 GLN A 28 1.035 31.009 16.908 1.00 71.42 H new ATOM 439 N VAL A 29 3.097 25.422 21.449 1.00 44.12 N ATOM 440 CA VAL A 29 2.562 24.257 22.143 1.00 3.23 C ATOM 441 C VAL A 29 1.048 24.174 21.990 1.00 33.13 C ATOM 442 O VAL A 29 0.351 23.667 22.870 1.00 14.13 O ATOM 443 CB VAL A 29 2.915 24.286 23.642 1.00 11.54 C ATOM 444 CG1 VAL A 29 2.740 22.907 24.259 1.00 10.23 C ATOM 445 CG2 VAL A 29 4.334 24.794 23.846 1.00 44.35 C ATOM 0 H VAL A 29 3.684 25.201 20.645 1.00 44.12 H new ATOM 0 HA VAL A 29 3.019 23.379 21.687 1.00 3.23 H new ATOM 0 HB VAL A 29 2.233 24.972 24.144 1.00 11.54 H new ATOM 0 HG11 VAL A 29 2.994 22.947 25.318 1.00 10.23 H new ATOM 0 HG12 VAL A 29 1.704 22.587 24.146 1.00 10.23 H new ATOM 0 HG13 VAL A 29 3.396 22.197 23.755 1.00 10.23 H new ATOM 0 HG21 VAL A 29 4.566 24.808 24.911 1.00 44.35 H new ATOM 0 HG22 VAL A 29 5.034 24.136 23.331 1.00 44.35 H new ATOM 0 HG23 VAL A 29 4.421 25.803 23.443 1.00 44.35 H new ATOM 455 N LEU A 30 0.544 24.674 20.867 1.00 11.05 N ATOM 456 CA LEU A 30 -0.890 24.656 20.598 1.00 44.05 C ATOM 457 C LEU A 30 -1.671 25.248 21.766 1.00 33.21 C ATOM 458 O LEU A 30 -2.348 24.528 22.501 1.00 72.23 O ATOM 459 CB LEU A 30 -1.360 23.226 20.327 1.00 63.21 C ATOM 460 CG LEU A 30 -1.249 22.746 18.879 1.00 33.54 C ATOM 461 CD1 LEU A 30 0.156 22.976 18.346 1.00 2.12 C ATOM 462 CD2 LEU A 30 -1.627 21.275 18.775 1.00 2.01 C ATOM 0 H LEU A 30 1.106 25.097 20.128 1.00 11.05 H new ATOM 0 HA LEU A 30 -1.077 25.267 19.715 1.00 44.05 H new ATOM 0 HB2 LEU A 30 -0.784 22.550 20.958 1.00 63.21 H new ATOM 0 HB3 LEU A 30 -2.401 23.142 20.638 1.00 63.21 H new ATOM 0 HG LEU A 30 -1.945 23.324 18.270 1.00 33.54 H new ATOM 0 HD11 LEU A 30 0.215 22.628 17.315 1.00 2.12 H new ATOM 0 HD12 LEU A 30 0.390 24.040 18.384 1.00 2.12 H new ATOM 0 HD13 LEU A 30 0.871 22.425 18.956 1.00 2.12 H new ATOM 0 HD21 LEU A 30 -1.542 20.950 17.738 1.00 2.01 H new ATOM 0 HD22 LEU A 30 -0.956 20.682 19.397 1.00 2.01 H new ATOM 0 HD23 LEU A 30 -2.653 21.138 19.116 1.00 2.01 H new ATOM 474 N ILE A 31 -1.575 26.563 21.930 1.00 25.23 N ATOM 475 CA ILE A 31 -2.275 27.251 23.007 1.00 12.23 C ATOM 476 C ILE A 31 -3.374 28.155 22.459 1.00 42.34 C ATOM 477 O ILE A 31 -3.229 29.376 22.387 1.00 75.10 O ATOM 478 CB ILE A 31 -1.308 28.095 23.859 1.00 55.44 C ATOM 479 CG1 ILE A 31 -0.426 28.962 22.958 1.00 4.24 C ATOM 480 CG2 ILE A 31 -0.454 27.196 24.739 1.00 35.43 C ATOM 481 CD1 ILE A 31 -0.414 30.423 23.350 1.00 50.34 C ATOM 0 H ILE A 31 -1.019 27.173 21.331 1.00 25.23 H new ATOM 0 HA ILE A 31 -2.721 26.481 23.636 1.00 12.23 H new ATOM 0 HB ILE A 31 -1.893 28.751 24.504 1.00 55.44 H new ATOM 0 HG12 ILE A 31 0.594 28.579 22.984 1.00 4.24 H new ATOM 0 HG13 ILE A 31 -0.774 28.873 21.929 1.00 4.24 H new ATOM 0 HG21 ILE A 31 0.224 27.808 25.335 1.00 35.43 H new ATOM 0 HG22 ILE A 31 -1.098 26.618 25.402 1.00 35.43 H new ATOM 0 HG23 ILE A 31 0.125 26.518 24.113 1.00 35.43 H new ATOM 0 HD11 ILE A 31 0.231 30.977 22.668 1.00 50.34 H new ATOM 0 HD12 ILE A 31 -1.427 30.822 23.296 1.00 50.34 H new ATOM 0 HD13 ILE A 31 -0.038 30.523 24.368 1.00 50.34 H new ATOM 493 N PRO A 32 -4.500 27.544 22.063 1.00 54.30 N ATOM 494 CA PRO A 32 -5.647 28.275 21.516 1.00 52.40 C ATOM 495 C PRO A 32 -6.357 29.115 22.573 1.00 73.42 C ATOM 496 O PRO A 32 -7.267 28.636 23.249 1.00 2.14 O ATOM 497 CB PRO A 32 -6.568 27.163 21.009 1.00 32.32 C ATOM 498 CG PRO A 32 -6.213 25.973 21.832 1.00 65.42 C ATOM 499 CD PRO A 32 -4.742 26.093 22.120 1.00 64.23 C ATOM 0 HA PRO A 32 -5.348 28.984 20.744 1.00 52.40 H new ATOM 0 HB2 PRO A 32 -7.617 27.431 21.132 1.00 32.32 H new ATOM 0 HB3 PRO A 32 -6.411 26.972 19.948 1.00 32.32 H new ATOM 0 HG2 PRO A 32 -6.791 25.951 22.756 1.00 65.42 H new ATOM 0 HG3 PRO A 32 -6.432 25.049 21.297 1.00 65.42 H new ATOM 0 HD2 PRO A 32 -4.489 25.682 23.097 1.00 64.23 H new ATOM 0 HD3 PRO A 32 -4.143 25.557 21.384 1.00 64.23 H new ATOM 507 N GLU A 33 -5.936 30.368 22.708 1.00 4.01 N ATOM 508 CA GLU A 33 -6.532 31.273 23.684 1.00 73.24 C ATOM 509 C GLU A 33 -7.778 31.944 23.112 1.00 32.14 C ATOM 510 O GLU A 33 -8.896 31.684 23.560 1.00 42.55 O ATOM 511 CB GLU A 33 -5.519 32.336 24.113 1.00 22.42 C ATOM 512 CG GLU A 33 -5.710 32.817 25.542 1.00 72.04 C ATOM 513 CD GLU A 33 -6.595 34.046 25.630 1.00 64.43 C ATOM 514 OE1 GLU A 33 -7.784 33.896 25.980 1.00 71.34 O ATOM 515 OE2 GLU A 33 -6.098 35.156 25.349 1.00 41.22 O ATOM 0 H GLU A 33 -5.185 30.780 22.154 1.00 4.01 H new ATOM 0 HA GLU A 33 -6.823 30.686 24.556 1.00 73.24 H new ATOM 0 HB2 GLU A 33 -4.513 31.931 24.006 1.00 22.42 H new ATOM 0 HB3 GLU A 33 -5.592 33.189 23.438 1.00 22.42 H new ATOM 0 HG2 GLU A 33 -6.148 32.015 26.136 1.00 72.04 H new ATOM 0 HG3 GLU A 33 -4.737 33.042 25.979 1.00 72.04 H new ATOM 522 N ILE A 34 -7.577 32.807 22.123 1.00 42.41 N ATOM 523 CA ILE A 34 -8.683 33.515 21.490 1.00 1.23 C ATOM 524 C ILE A 34 -8.328 33.930 20.067 1.00 44.14 C ATOM 525 O ILE A 34 -9.144 33.814 19.154 1.00 41.24 O ATOM 526 CB ILE A 34 -9.083 34.767 22.293 1.00 1.12 C ATOM 527 CG1 ILE A 34 -7.836 35.530 22.745 1.00 22.21 C ATOM 528 CG2 ILE A 34 -9.935 34.378 23.492 1.00 74.34 C ATOM 529 CD1 ILE A 34 -8.146 36.781 23.536 1.00 34.04 C ATOM 0 H ILE A 34 -6.658 33.033 21.742 1.00 42.41 H new ATOM 0 HA ILE A 34 -9.526 32.824 21.465 1.00 1.23 H new ATOM 0 HB ILE A 34 -9.672 35.420 21.649 1.00 1.12 H new ATOM 0 HG12 ILE A 34 -7.217 34.870 23.353 1.00 22.21 H new ATOM 0 HG13 ILE A 34 -7.248 35.801 21.868 1.00 22.21 H new ATOM 0 HG21 ILE A 34 -10.210 35.274 24.049 1.00 74.34 H new ATOM 0 HG22 ILE A 34 -10.838 33.873 23.148 1.00 74.34 H new ATOM 0 HG23 ILE A 34 -9.369 33.708 24.139 1.00 74.34 H new ATOM 0 HD11 ILE A 34 -7.215 37.270 23.823 1.00 34.04 H new ATOM 0 HD12 ILE A 34 -8.739 37.461 22.924 1.00 34.04 H new ATOM 0 HD13 ILE A 34 -8.707 36.515 24.432 1.00 34.04 H new ATOM 541 N ASN A 35 -7.103 34.413 19.885 1.00 24.20 N ATOM 542 CA ASN A 35 -6.638 34.844 18.572 1.00 40.04 C ATOM 543 C ASN A 35 -5.478 33.977 18.093 1.00 24.33 C ATOM 544 O ASN A 35 -4.521 34.474 17.498 1.00 64.21 O ATOM 545 CB ASN A 35 -6.208 36.312 18.616 1.00 22.43 C ATOM 546 CG ASN A 35 -6.342 36.995 17.269 1.00 31.21 C ATOM 547 OD1 ASN A 35 -5.372 37.530 16.732 1.00 22.34 O ATOM 548 ND2 ASN A 35 -7.549 36.980 16.716 1.00 14.02 N ATOM 0 H ASN A 35 -6.415 34.516 20.631 1.00 24.20 H new ATOM 0 HA ASN A 35 -7.464 34.735 17.869 1.00 40.04 H new ATOM 0 HB2 ASN A 35 -6.813 36.843 19.351 1.00 22.43 H new ATOM 0 HB3 ASN A 35 -5.172 36.374 18.950 1.00 22.43 H new ATOM 0 HD21 ASN A 35 -7.701 37.424 15.810 1.00 14.02 H new ATOM 0 HD22 ASN A 35 -8.325 36.525 17.197 1.00 14.02 H new ATOM 555 N LEU A 36 -5.569 32.678 18.357 1.00 32.10 N ATOM 556 CA LEU A 36 -4.528 31.740 17.953 1.00 25.11 C ATOM 557 C LEU A 36 -5.072 30.714 16.964 1.00 31.04 C ATOM 558 O LEU A 36 -4.386 30.321 16.021 1.00 15.55 O ATOM 559 CB LEU A 36 -3.951 31.028 19.179 1.00 55.24 C ATOM 560 CG LEU A 36 -2.851 30.003 18.904 1.00 44.33 C ATOM 561 CD1 LEU A 36 -1.687 30.199 19.863 1.00 10.52 C ATOM 562 CD2 LEU A 36 -3.400 28.588 19.011 1.00 12.43 C ATOM 0 H LEU A 36 -6.353 32.251 18.849 1.00 32.10 H new ATOM 0 HA LEU A 36 -3.736 32.305 17.462 1.00 25.11 H new ATOM 0 HB2 LEU A 36 -3.555 31.782 19.859 1.00 55.24 H new ATOM 0 HB3 LEU A 36 -4.766 30.525 19.699 1.00 55.24 H new ATOM 0 HG LEU A 36 -2.487 30.154 17.888 1.00 44.33 H new ATOM 0 HD11 LEU A 36 -0.914 29.460 19.652 1.00 10.52 H new ATOM 0 HD12 LEU A 36 -1.276 31.201 19.737 1.00 10.52 H new ATOM 0 HD13 LEU A 36 -2.036 30.077 20.888 1.00 10.52 H new ATOM 0 HD21 LEU A 36 -2.602 27.872 18.812 1.00 12.43 H new ATOM 0 HD22 LEU A 36 -3.792 28.425 20.015 1.00 12.43 H new ATOM 0 HD23 LEU A 36 -4.200 28.452 18.283 1.00 12.43 H new ATOM 574 N ASN A 37 -6.311 30.285 17.186 1.00 5.43 N ATOM 575 CA ASN A 37 -6.948 29.306 16.314 1.00 53.24 C ATOM 576 C ASN A 37 -6.977 29.801 14.871 1.00 72.23 C ATOM 577 O ASN A 37 -6.583 29.085 13.950 1.00 22.32 O ATOM 578 CB ASN A 37 -8.372 29.015 16.793 1.00 4.25 C ATOM 579 CG ASN A 37 -9.050 27.937 15.971 1.00 51.15 C ATOM 580 OD1 ASN A 37 -8.452 27.369 15.057 1.00 45.11 O ATOM 581 ND2 ASN A 37 -10.306 27.651 16.292 1.00 74.44 N ATOM 0 H ASN A 37 -6.893 30.600 17.962 1.00 5.43 H new ATOM 0 HA ASN A 37 -6.363 28.387 16.353 1.00 53.24 H new ATOM 0 HB2 ASN A 37 -8.345 28.708 17.838 1.00 4.25 H new ATOM 0 HB3 ASN A 37 -8.963 29.930 16.745 1.00 4.25 H new ATOM 0 HD21 ASN A 37 -10.815 26.935 15.773 1.00 74.44 H new ATOM 0 HD22 ASN A 37 -10.762 28.147 17.057 1.00 74.44 H new ATOM 588 N ASP A 38 -7.446 31.029 14.682 1.00 51.25 N ATOM 589 CA ASP A 38 -7.525 31.621 13.351 1.00 11.11 C ATOM 590 C ASP A 38 -6.150 31.662 12.692 1.00 60.22 C ATOM 591 O ASP A 38 -6.034 31.597 11.468 1.00 63.35 O ATOM 592 CB ASP A 38 -8.108 33.033 13.431 1.00 21.14 C ATOM 593 CG ASP A 38 -9.047 33.338 12.281 1.00 35.43 C ATOM 594 OD1 ASP A 38 -10.255 33.532 12.536 1.00 4.35 O ATOM 595 OD2 ASP A 38 -8.576 33.382 11.126 1.00 4.42 O ATOM 0 H ASP A 38 -7.777 31.634 15.433 1.00 51.25 H new ATOM 0 HA ASP A 38 -8.182 30.999 12.742 1.00 11.11 H new ATOM 0 HB2 ASP A 38 -8.643 33.149 14.374 1.00 21.14 H new ATOM 0 HB3 ASP A 38 -7.295 33.759 13.435 1.00 21.14 H new ATOM 600 N THR A 39 -5.109 31.771 13.512 1.00 71.03 N ATOM 601 CA THR A 39 -3.742 31.823 13.009 1.00 72.21 C ATOM 602 C THR A 39 -3.248 30.435 12.616 1.00 3.34 C ATOM 603 O THR A 39 -2.781 30.225 11.497 1.00 50.33 O ATOM 604 CB THR A 39 -2.782 32.421 14.054 1.00 44.23 C ATOM 605 OG1 THR A 39 -3.516 32.850 15.206 1.00 51.34 O ATOM 606 CG2 THR A 39 -2.011 33.596 13.470 1.00 14.34 C ATOM 0 H THR A 39 -5.187 31.825 14.528 1.00 71.03 H new ATOM 0 HA THR A 39 -3.753 32.464 12.128 1.00 72.21 H new ATOM 0 HB THR A 39 -2.070 31.648 14.345 1.00 44.23 H new ATOM 0 HG1 THR A 39 -3.214 33.743 15.472 1.00 51.34 H new ATOM 0 HG21 THR A 39 -1.339 34.002 14.226 1.00 14.34 H new ATOM 0 HG22 THR A 39 -1.430 33.259 12.612 1.00 14.34 H new ATOM 0 HG23 THR A 39 -2.711 34.369 13.153 1.00 14.34 H new ATOM 614 N PHE A 40 -3.353 29.490 13.545 1.00 55.14 N ATOM 615 CA PHE A 40 -2.916 28.121 13.295 1.00 14.42 C ATOM 616 C PHE A 40 -3.665 27.519 12.110 1.00 42.02 C ATOM 617 O PHE A 40 -3.073 26.848 11.264 1.00 3.21 O ATOM 618 CB PHE A 40 -3.133 27.260 14.541 1.00 62.52 C ATOM 619 CG PHE A 40 -2.496 25.902 14.448 1.00 13.25 C ATOM 620 CD1 PHE A 40 -1.220 25.755 13.931 1.00 64.12 C ATOM 621 CD2 PHE A 40 -3.175 24.773 14.879 1.00 51.51 C ATOM 622 CE1 PHE A 40 -0.631 24.507 13.845 1.00 42.32 C ATOM 623 CE2 PHE A 40 -2.591 23.524 14.796 1.00 72.43 C ATOM 624 CZ PHE A 40 -1.318 23.390 14.277 1.00 51.11 C ATOM 0 H PHE A 40 -3.737 29.647 14.477 1.00 55.14 H new ATOM 0 HA PHE A 40 -1.853 28.142 13.057 1.00 14.42 H new ATOM 0 HB2 PHE A 40 -2.731 27.783 15.409 1.00 62.52 H new ATOM 0 HB3 PHE A 40 -4.203 27.140 14.709 1.00 62.52 H new ATOM 0 HD1 PHE A 40 -0.678 26.625 13.591 1.00 64.12 H new ATOM 0 HD2 PHE A 40 -4.171 24.871 15.284 1.00 51.51 H new ATOM 0 HE1 PHE A 40 0.365 24.406 13.440 1.00 42.32 H new ATOM 0 HE2 PHE A 40 -3.130 22.652 15.137 1.00 72.43 H new ATOM 0 HZ PHE A 40 -0.861 22.414 14.209 1.00 51.11 H new ATOM 634 N ASP A 41 -4.970 27.763 12.056 1.00 65.11 N ATOM 635 CA ASP A 41 -5.800 27.246 10.975 1.00 71.44 C ATOM 636 C ASP A 41 -5.286 27.721 9.619 1.00 21.23 C ATOM 637 O ASP A 41 -4.916 26.914 8.765 1.00 1.33 O ATOM 638 CB ASP A 41 -7.253 27.683 11.165 1.00 52.42 C ATOM 639 CG ASP A 41 -8.240 26.649 10.661 1.00 52.04 C ATOM 640 OD1 ASP A 41 -8.532 25.692 11.409 1.00 44.22 O ATOM 641 OD2 ASP A 41 -8.722 26.797 9.518 1.00 30.32 O ATOM 0 H ASP A 41 -5.475 28.316 12.748 1.00 65.11 H new ATOM 0 HA ASP A 41 -5.750 26.157 11.001 1.00 71.44 H new ATOM 0 HB2 ASP A 41 -7.437 27.871 12.223 1.00 52.42 H new ATOM 0 HB3 ASP A 41 -7.418 28.624 10.640 1.00 52.42 H new ATOM 646 N THR A 42 -5.266 29.036 9.428 1.00 50.34 N ATOM 647 CA THR A 42 -4.800 29.619 8.176 1.00 43.31 C ATOM 648 C THR A 42 -3.370 29.189 7.868 1.00 73.43 C ATOM 649 O THR A 42 -2.946 29.192 6.712 1.00 4.51 O ATOM 650 CB THR A 42 -4.863 31.158 8.215 1.00 72.22 C ATOM 651 OG1 THR A 42 -5.199 31.667 6.919 1.00 2.23 O ATOM 652 CG2 THR A 42 -3.534 31.743 8.666 1.00 3.05 C ATOM 0 H THR A 42 -5.567 29.718 10.124 1.00 50.34 H new ATOM 0 HA THR A 42 -5.464 29.255 7.392 1.00 43.31 H new ATOM 0 HB THR A 42 -5.632 31.450 8.931 1.00 72.22 H new ATOM 0 HG1 THR A 42 -5.239 32.646 6.952 1.00 2.23 H new ATOM 0 HG21 THR A 42 -3.603 32.831 8.686 1.00 3.05 H new ATOM 0 HG22 THR A 42 -3.295 31.377 9.664 1.00 3.05 H new ATOM 0 HG23 THR A 42 -2.750 31.442 7.972 1.00 3.05 H new ATOM 660 N PHE A 43 -2.632 28.817 8.908 1.00 21.21 N ATOM 661 CA PHE A 43 -1.249 28.383 8.748 1.00 2.21 C ATOM 662 C PHE A 43 -1.185 26.973 8.168 1.00 4.14 C ATOM 663 O PHE A 43 -0.468 26.721 7.201 1.00 63.44 O ATOM 664 CB PHE A 43 -0.519 28.428 10.092 1.00 33.13 C ATOM 665 CG PHE A 43 0.963 28.218 9.977 1.00 65.22 C ATOM 666 CD1 PHE A 43 1.646 27.470 10.922 1.00 23.23 C ATOM 667 CD2 PHE A 43 1.675 28.769 8.923 1.00 74.10 C ATOM 668 CE1 PHE A 43 3.011 27.274 10.819 1.00 53.21 C ATOM 669 CE2 PHE A 43 3.039 28.576 8.814 1.00 12.41 C ATOM 670 CZ PHE A 43 3.708 27.829 9.764 1.00 51.22 C ATOM 0 H PHE A 43 -2.968 28.807 9.871 1.00 21.21 H new ATOM 0 HA PHE A 43 -0.759 29.065 8.053 1.00 2.21 H new ATOM 0 HB2 PHE A 43 -0.705 29.392 10.565 1.00 33.13 H new ATOM 0 HB3 PHE A 43 -0.936 27.664 10.749 1.00 33.13 H new ATOM 0 HD1 PHE A 43 1.106 27.034 11.750 1.00 23.23 H new ATOM 0 HD2 PHE A 43 1.158 29.356 8.178 1.00 74.10 H new ATOM 0 HE1 PHE A 43 3.531 26.688 11.562 1.00 53.21 H new ATOM 0 HE2 PHE A 43 3.582 29.009 7.987 1.00 12.41 H new ATOM 0 HZ PHE A 43 4.774 27.679 9.682 1.00 51.22 H new ATOM 680 N ALA A 44 -1.939 26.058 8.768 1.00 0.24 N ATOM 681 CA ALA A 44 -1.969 24.674 8.312 1.00 55.31 C ATOM 682 C ALA A 44 -2.641 24.561 6.948 1.00 74.04 C ATOM 683 O ALA A 44 -2.125 23.904 6.042 1.00 11.15 O ATOM 684 CB ALA A 44 -2.686 23.799 9.329 1.00 24.44 C ATOM 0 H ALA A 44 -2.537 26.250 9.571 1.00 0.24 H new ATOM 0 HA ALA A 44 -0.940 24.328 8.212 1.00 55.31 H new ATOM 0 HB1 ALA A 44 -2.701 22.768 8.976 1.00 24.44 H new ATOM 0 HB2 ALA A 44 -2.163 23.848 10.284 1.00 24.44 H new ATOM 0 HB3 ALA A 44 -3.709 24.154 9.457 1.00 24.44 H new ATOM 690 N LEU A 45 -3.795 25.204 6.806 1.00 12.05 N ATOM 691 CA LEU A 45 -4.539 25.175 5.552 1.00 62.13 C ATOM 692 C LEU A 45 -3.620 25.459 4.368 1.00 52.43 C ATOM 693 O LEU A 45 -3.467 24.627 3.474 1.00 21.50 O ATOM 694 CB LEU A 45 -5.676 26.197 5.586 1.00 34.14 C ATOM 695 CG LEU A 45 -6.910 25.856 4.750 1.00 14.41 C ATOM 696 CD1 LEU A 45 -6.504 25.437 3.346 1.00 73.02 C ATOM 697 CD2 LEU A 45 -7.724 24.760 5.422 1.00 61.21 C ATOM 0 H LEU A 45 -4.236 25.752 7.545 1.00 12.05 H new ATOM 0 HA LEU A 45 -4.960 24.177 5.431 1.00 62.13 H new ATOM 0 HB2 LEU A 45 -5.989 26.329 6.622 1.00 34.14 H new ATOM 0 HB3 LEU A 45 -5.286 27.156 5.247 1.00 34.14 H new ATOM 0 HG LEU A 45 -7.532 26.748 4.675 1.00 14.41 H new ATOM 0 HD11 LEU A 45 -7.395 25.198 2.766 1.00 73.02 H new ATOM 0 HD12 LEU A 45 -5.965 26.253 2.864 1.00 73.02 H new ATOM 0 HD13 LEU A 45 -5.860 24.559 3.400 1.00 73.02 H new ATOM 0 HD21 LEU A 45 -8.598 24.531 4.813 1.00 61.21 H new ATOM 0 HD22 LEU A 45 -7.111 23.865 5.529 1.00 61.21 H new ATOM 0 HD23 LEU A 45 -8.047 25.098 6.407 1.00 61.21 H new ATOM 709 N ASP A 46 -3.010 26.639 4.369 1.00 13.41 N ATOM 710 CA ASP A 46 -2.104 27.033 3.297 1.00 63.23 C ATOM 711 C ASP A 46 -1.108 25.918 2.991 1.00 40.43 C ATOM 712 O ASP A 46 -0.880 25.577 1.830 1.00 32.40 O ATOM 713 CB ASP A 46 -1.356 28.312 3.676 1.00 42.03 C ATOM 714 CG ASP A 46 -1.312 29.315 2.540 1.00 12.30 C ATOM 715 OD1 ASP A 46 -0.697 29.006 1.498 1.00 72.02 O ATOM 716 OD2 ASP A 46 -1.894 30.409 2.693 1.00 41.50 O ATOM 0 H ASP A 46 -3.127 27.340 5.101 1.00 13.41 H new ATOM 0 HA ASP A 46 -2.698 27.221 2.403 1.00 63.23 H new ATOM 0 HB2 ASP A 46 -1.837 28.768 4.541 1.00 42.03 H new ATOM 0 HB3 ASP A 46 -0.338 28.060 3.974 1.00 42.03 H new ATOM 721 N PHE A 47 -0.516 25.356 4.039 1.00 34.04 N ATOM 722 CA PHE A 47 0.457 24.281 3.883 1.00 52.32 C ATOM 723 C PHE A 47 -0.141 23.116 3.100 1.00 42.14 C ATOM 724 O PHE A 47 0.431 22.662 2.109 1.00 41.04 O ATOM 725 CB PHE A 47 0.938 23.797 5.252 1.00 32.22 C ATOM 726 CG PHE A 47 2.343 24.216 5.577 1.00 61.03 C ATOM 727 CD1 PHE A 47 3.387 23.912 4.718 1.00 72.42 C ATOM 728 CD2 PHE A 47 2.620 24.914 6.741 1.00 5.01 C ATOM 729 CE1 PHE A 47 4.681 24.296 5.013 1.00 2.23 C ATOM 730 CE2 PHE A 47 3.913 25.302 7.042 1.00 74.44 C ATOM 731 CZ PHE A 47 4.944 24.991 6.177 1.00 4.33 C ATOM 0 H PHE A 47 -0.693 25.627 5.006 1.00 34.04 H new ATOM 0 HA PHE A 47 1.307 24.673 3.325 1.00 52.32 H new ATOM 0 HB2 PHE A 47 0.266 24.180 6.020 1.00 32.22 H new ATOM 0 HB3 PHE A 47 0.875 22.709 5.287 1.00 32.22 H new ATOM 0 HD1 PHE A 47 3.187 23.368 3.807 1.00 72.42 H new ATOM 0 HD2 PHE A 47 1.817 25.158 7.421 1.00 5.01 H new ATOM 0 HE1 PHE A 47 5.485 24.053 4.334 1.00 2.23 H new ATOM 0 HE2 PHE A 47 4.116 25.847 7.952 1.00 74.44 H new ATOM 0 HZ PHE A 47 5.955 25.291 6.411 1.00 4.33 H new ATOM 741 N SER A 48 -1.295 22.637 3.552 1.00 21.32 N ATOM 742 CA SER A 48 -1.969 21.522 2.897 1.00 22.44 C ATOM 743 C SER A 48 -2.137 21.789 1.405 1.00 44.12 C ATOM 744 O SER A 48 -1.866 20.922 0.573 1.00 10.35 O ATOM 745 CB SER A 48 -3.335 21.276 3.540 1.00 74.22 C ATOM 746 OG SER A 48 -3.800 19.966 3.264 1.00 32.34 O ATOM 0 H SER A 48 -1.783 23.003 4.369 1.00 21.32 H new ATOM 0 HA SER A 48 -1.351 20.633 3.021 1.00 22.44 H new ATOM 0 HB2 SER A 48 -3.264 21.421 4.618 1.00 74.22 H new ATOM 0 HB3 SER A 48 -4.053 22.006 3.167 1.00 74.22 H new ATOM 0 HG SER A 48 -4.674 19.833 3.687 1.00 32.34 H new ATOM 752 N ARG A 49 -2.585 22.995 1.073 1.00 42.40 N ATOM 753 CA ARG A 49 -2.790 23.378 -0.319 1.00 33.13 C ATOM 754 C ARG A 49 -1.591 22.981 -1.174 1.00 41.15 C ATOM 755 O ARG A 49 -1.749 22.497 -2.294 1.00 72.54 O ATOM 756 CB ARG A 49 -3.030 24.885 -0.426 1.00 12.05 C ATOM 757 CG ARG A 49 -4.247 25.250 -1.259 1.00 54.43 C ATOM 758 CD ARG A 49 -3.846 25.807 -2.616 1.00 53.24 C ATOM 759 NE ARG A 49 -4.756 26.856 -3.068 1.00 53.23 N ATOM 760 CZ ARG A 49 -4.765 28.087 -2.568 1.00 75.22 C ATOM 761 NH1 ARG A 49 -3.918 28.421 -1.605 1.00 64.12 N ATOM 762 NH2 ARG A 49 -5.624 28.986 -3.032 1.00 2.32 N ATOM 0 H ARG A 49 -2.813 23.724 1.749 1.00 42.40 H new ATOM 0 HA ARG A 49 -3.669 22.850 -0.689 1.00 33.13 H new ATOM 0 HB2 ARG A 49 -3.149 25.297 0.576 1.00 12.05 H new ATOM 0 HB3 ARG A 49 -2.148 25.355 -0.861 1.00 12.05 H new ATOM 0 HG2 ARG A 49 -4.873 24.368 -1.397 1.00 54.43 H new ATOM 0 HG3 ARG A 49 -4.847 25.987 -0.725 1.00 54.43 H new ATOM 0 HD2 ARG A 49 -2.833 26.206 -2.559 1.00 53.24 H new ATOM 0 HD3 ARG A 49 -3.830 25.000 -3.349 1.00 53.24 H new ATOM 0 HE ARG A 49 -5.421 26.631 -3.808 1.00 53.23 H new ATOM 0 HH11 ARG A 49 -3.257 27.732 -1.246 1.00 64.12 H new ATOM 0 HH12 ARG A 49 -3.927 29.367 -1.223 1.00 64.12 H new ATOM 0 HH21 ARG A 49 -6.278 28.732 -3.773 1.00 2.32 H new ATOM 0 HH22 ARG A 49 -5.631 29.931 -2.648 1.00 2.32 H new ATOM 776 N GLU A 50 -0.393 23.191 -0.638 1.00 64.14 N ATOM 777 CA GLU A 50 0.833 22.856 -1.354 1.00 51.12 C ATOM 778 C GLU A 50 1.149 21.369 -1.226 1.00 74.42 C ATOM 779 O GLU A 50 1.738 20.767 -2.125 1.00 11.44 O ATOM 780 CB GLU A 50 2.004 23.685 -0.822 1.00 34.25 C ATOM 781 CG GLU A 50 3.276 23.536 -1.639 1.00 1.25 C ATOM 782 CD GLU A 50 4.477 23.175 -0.787 1.00 24.13 C ATOM 783 OE1 GLU A 50 4.531 22.028 -0.294 1.00 44.51 O ATOM 784 OE2 GLU A 50 5.363 24.038 -0.612 1.00 71.23 O ATOM 0 H GLU A 50 -0.245 23.591 0.289 1.00 64.14 H new ATOM 0 HA GLU A 50 0.682 23.088 -2.408 1.00 51.12 H new ATOM 0 HB2 GLU A 50 1.715 24.736 -0.803 1.00 34.25 H new ATOM 0 HB3 GLU A 50 2.207 23.392 0.208 1.00 34.25 H new ATOM 0 HG2 GLU A 50 3.129 22.767 -2.397 1.00 1.25 H new ATOM 0 HG3 GLU A 50 3.476 24.469 -2.166 1.00 1.25 H new ATOM 791 N LYS A 51 0.753 20.780 -0.102 1.00 53.44 N ATOM 792 CA LYS A 51 0.992 19.364 0.145 1.00 34.44 C ATOM 793 C LYS A 51 0.312 18.504 -0.915 1.00 61.53 C ATOM 794 O LYS A 51 0.776 17.408 -1.232 1.00 42.13 O ATOM 795 CB LYS A 51 0.483 18.975 1.535 1.00 35.13 C ATOM 796 CG LYS A 51 -0.929 18.414 1.531 1.00 11.31 C ATOM 797 CD LYS A 51 -0.927 16.900 1.408 1.00 32.35 C ATOM 798 CE LYS A 51 -2.314 16.365 1.087 1.00 73.11 C ATOM 799 NZ LYS A 51 -2.290 15.412 -0.058 1.00 1.45 N ATOM 0 H LYS A 51 0.265 21.263 0.652 1.00 53.44 H new ATOM 0 HA LYS A 51 2.067 19.189 0.095 1.00 34.44 H new ATOM 0 HB2 LYS A 51 1.158 18.235 1.966 1.00 35.13 H new ATOM 0 HB3 LYS A 51 0.515 19.851 2.183 1.00 35.13 H new ATOM 0 HG2 LYS A 51 -1.440 18.705 2.449 1.00 11.31 H new ATOM 0 HG3 LYS A 51 -1.491 18.846 0.703 1.00 11.31 H new ATOM 0 HD2 LYS A 51 -0.230 16.598 0.626 1.00 32.35 H new ATOM 0 HD3 LYS A 51 -0.572 16.459 2.339 1.00 32.35 H new ATOM 0 HE2 LYS A 51 -2.723 15.867 1.966 1.00 73.11 H new ATOM 0 HE3 LYS A 51 -2.979 17.197 0.854 1.00 73.11 H new ATOM 0 HZ1 LYS A 51 -3.213 15.421 -0.537 1.00 1.45 H new ATOM 0 HZ2 LYS A 51 -1.549 15.696 -0.730 1.00 1.45 H new ATOM 0 HZ3 LYS A 51 -2.091 14.453 0.292 1.00 1.45 H new ATOM 813 N LYS A 52 -0.789 19.007 -1.462 1.00 52.13 N ATOM 814 CA LYS A 52 -1.532 18.287 -2.490 1.00 22.12 C ATOM 815 C LYS A 52 -0.917 18.516 -3.867 1.00 22.32 C ATOM 816 O LYS A 52 -0.555 17.565 -4.562 1.00 54.42 O ATOM 817 CB LYS A 52 -2.997 18.730 -2.494 1.00 62.50 C ATOM 818 CG LYS A 52 -3.673 18.608 -1.139 1.00 42.03 C ATOM 819 CD LYS A 52 -5.044 19.262 -1.140 1.00 11.43 C ATOM 820 CE LYS A 52 -5.037 20.573 -0.368 1.00 23.25 C ATOM 821 NZ LYS A 52 -5.818 21.632 -1.065 1.00 24.12 N ATOM 0 H LYS A 52 -1.187 19.912 -1.210 1.00 52.13 H new ATOM 0 HA LYS A 52 -1.481 17.222 -2.261 1.00 22.12 H new ATOM 0 HB2 LYS A 52 -3.054 19.766 -2.827 1.00 62.50 H new ATOM 0 HB3 LYS A 52 -3.547 18.131 -3.220 1.00 62.50 H new ATOM 0 HG2 LYS A 52 -3.771 17.555 -0.874 1.00 42.03 H new ATOM 0 HG3 LYS A 52 -3.048 19.072 -0.376 1.00 42.03 H new ATOM 0 HD2 LYS A 52 -5.360 19.445 -2.167 1.00 11.43 H new ATOM 0 HD3 LYS A 52 -5.773 18.582 -0.698 1.00 11.43 H new ATOM 0 HE2 LYS A 52 -5.452 20.411 0.627 1.00 23.25 H new ATOM 0 HE3 LYS A 52 -4.009 20.909 -0.233 1.00 23.25 H new ATOM 0 HZ1 LYS A 52 -5.789 22.509 -0.507 1.00 24.12 H new ATOM 0 HZ2 LYS A 52 -5.407 21.805 -2.004 1.00 24.12 H new ATOM 0 HZ3 LYS A 52 -6.805 21.322 -1.171 1.00 24.12 H new ATOM 835 N LEU A 53 -0.799 19.781 -4.254 1.00 72.23 N ATOM 836 CA LEU A 53 -0.226 20.135 -5.548 1.00 62.42 C ATOM 837 C LEU A 53 1.126 19.456 -5.749 1.00 15.23 C ATOM 838 O LEU A 53 1.542 19.200 -6.879 1.00 40.03 O ATOM 839 CB LEU A 53 -0.069 21.652 -5.661 1.00 53.01 C ATOM 840 CG LEU A 53 -0.171 22.234 -7.071 1.00 43.24 C ATOM 841 CD1 LEU A 53 -0.783 23.626 -7.032 1.00 35.52 C ATOM 842 CD2 LEU A 53 1.199 22.271 -7.733 1.00 2.32 C ATOM 0 H LEU A 53 -1.092 20.579 -3.690 1.00 72.23 H new ATOM 0 HA LEU A 53 -0.906 19.788 -6.326 1.00 62.42 H new ATOM 0 HB2 LEU A 53 -0.830 22.123 -5.039 1.00 53.01 H new ATOM 0 HB3 LEU A 53 0.899 21.929 -5.244 1.00 53.01 H new ATOM 0 HG LEU A 53 -0.822 21.590 -7.662 1.00 43.24 H new ATOM 0 HD11 LEU A 53 -0.847 24.024 -8.045 1.00 35.52 H new ATOM 0 HD12 LEU A 53 -1.782 23.572 -6.599 1.00 35.52 H new ATOM 0 HD13 LEU A 53 -0.159 24.281 -6.424 1.00 35.52 H new ATOM 0 HD21 LEU A 53 1.107 22.688 -8.736 1.00 2.32 H new ATOM 0 HD22 LEU A 53 1.872 22.892 -7.142 1.00 2.32 H new ATOM 0 HD23 LEU A 53 1.600 21.259 -7.796 1.00 2.32 H new ATOM 854 N LEU A 54 1.805 19.166 -4.645 1.00 63.20 N ATOM 855 CA LEU A 54 3.109 18.514 -4.699 1.00 5.32 C ATOM 856 C LEU A 54 2.967 17.040 -5.063 1.00 21.01 C ATOM 857 O LEU A 54 3.511 16.584 -6.068 1.00 3.11 O ATOM 858 CB LEU A 54 3.826 18.653 -3.355 1.00 24.44 C ATOM 859 CG LEU A 54 5.176 17.944 -3.238 1.00 23.21 C ATOM 860 CD1 LEU A 54 4.981 16.483 -2.863 1.00 24.03 C ATOM 861 CD2 LEU A 54 5.955 18.063 -4.540 1.00 25.34 C ATOM 0 H LEU A 54 1.475 19.372 -3.702 1.00 63.20 H new ATOM 0 HA LEU A 54 3.701 19.004 -5.472 1.00 5.32 H new ATOM 0 HB2 LEU A 54 3.977 19.714 -3.154 1.00 24.44 H new ATOM 0 HB3 LEU A 54 3.169 18.271 -2.574 1.00 24.44 H new ATOM 0 HG LEU A 54 5.751 18.427 -2.448 1.00 23.21 H new ATOM 0 HD11 LEU A 54 5.952 15.995 -2.784 1.00 24.03 H new ATOM 0 HD12 LEU A 54 4.464 16.419 -1.905 1.00 24.03 H new ATOM 0 HD13 LEU A 54 4.387 15.987 -3.630 1.00 24.03 H new ATOM 0 HD21 LEU A 54 6.913 17.553 -4.439 1.00 25.34 H new ATOM 0 HD22 LEU A 54 5.384 17.606 -5.349 1.00 25.34 H new ATOM 0 HD23 LEU A 54 6.126 19.115 -4.767 1.00 25.34 H new ATOM 873 N GLU A 55 2.230 16.301 -4.239 1.00 62.25 N ATOM 874 CA GLU A 55 2.016 14.878 -4.477 1.00 14.15 C ATOM 875 C GLU A 55 1.351 14.646 -5.830 1.00 50.45 C ATOM 876 O GLU A 55 1.832 13.856 -6.643 1.00 24.20 O ATOM 877 CB GLU A 55 1.154 14.277 -3.364 1.00 2.32 C ATOM 878 CG GLU A 55 1.339 12.779 -3.193 1.00 23.15 C ATOM 879 CD GLU A 55 0.078 12.086 -2.716 1.00 75.11 C ATOM 880 OE1 GLU A 55 -0.847 11.909 -3.537 1.00 32.23 O ATOM 881 OE2 GLU A 55 0.014 11.721 -1.524 1.00 4.03 O ATOM 0 H GLU A 55 1.772 16.663 -3.403 1.00 62.25 H new ATOM 0 HA GLU A 55 2.989 14.386 -4.481 1.00 14.15 H new ATOM 0 HB2 GLU A 55 1.392 14.774 -2.423 1.00 2.32 H new ATOM 0 HB3 GLU A 55 0.105 14.483 -3.577 1.00 2.32 H new ATOM 0 HG2 GLU A 55 1.651 12.345 -4.143 1.00 23.15 H new ATOM 0 HG3 GLU A 55 2.142 12.595 -2.479 1.00 23.15 H new ATOM 888 N CYS A 56 0.243 15.340 -6.065 1.00 51.22 N ATOM 889 CA CYS A 56 -0.490 15.210 -7.320 1.00 24.31 C ATOM 890 C CYS A 56 -0.837 16.580 -7.892 1.00 3.31 C ATOM 891 O CYS A 56 -0.572 17.610 -7.270 1.00 21.13 O ATOM 892 CB CYS A 56 -1.766 14.394 -7.107 1.00 41.40 C ATOM 893 SG CYS A 56 -2.802 14.986 -5.748 1.00 42.13 S ATOM 0 H CYS A 56 -0.168 15.999 -5.403 1.00 51.22 H new ATOM 0 HA CYS A 56 0.150 14.691 -8.034 1.00 24.31 H new ATOM 0 HB2 CYS A 56 -2.350 14.406 -8.027 1.00 41.40 H new ATOM 0 HB3 CYS A 56 -1.493 13.356 -6.916 1.00 41.40 H new ATOM 0 HG CYS A 56 -2.205 15.970 -5.144 1.00 42.13 H new ATOM 899 N LEU A 57 -1.429 16.586 -9.081 1.00 11.41 N ATOM 900 CA LEU A 57 -1.811 17.831 -9.739 1.00 14.12 C ATOM 901 C LEU A 57 -3.153 18.334 -9.216 1.00 32.42 C ATOM 902 O LEU A 57 -4.108 17.567 -9.090 1.00 73.12 O ATOM 903 CB LEU A 57 -1.885 17.629 -11.253 1.00 63.23 C ATOM 904 CG LEU A 57 -0.698 18.158 -12.059 1.00 51.34 C ATOM 905 CD1 LEU A 57 0.244 17.024 -12.430 1.00 62.31 C ATOM 906 CD2 LEU A 57 -1.182 18.882 -13.308 1.00 22.23 C ATOM 0 H LEU A 57 -1.655 15.743 -9.609 1.00 11.41 H new ATOM 0 HA LEU A 57 -1.051 18.579 -9.515 1.00 14.12 H new ATOM 0 HB2 LEU A 57 -1.988 16.562 -11.453 1.00 63.23 H new ATOM 0 HB3 LEU A 57 -2.791 18.111 -11.620 1.00 63.23 H new ATOM 0 HG LEU A 57 -0.151 18.869 -11.440 1.00 51.34 H new ATOM 0 HD11 LEU A 57 1.082 17.420 -13.003 1.00 62.31 H new ATOM 0 HD12 LEU A 57 0.617 16.549 -11.523 1.00 62.31 H new ATOM 0 HD13 LEU A 57 -0.291 16.288 -13.031 1.00 62.31 H new ATOM 0 HD21 LEU A 57 -0.324 19.252 -13.870 1.00 22.23 H new ATOM 0 HD22 LEU A 57 -1.753 18.193 -13.930 1.00 22.23 H new ATOM 0 HD23 LEU A 57 -1.816 19.721 -13.020 1.00 22.23 H new ATOM 918 N ASP A 58 -3.218 19.626 -8.915 1.00 35.23 N ATOM 919 CA ASP A 58 -4.444 20.232 -8.409 1.00 35.15 C ATOM 920 C ASP A 58 -4.281 21.741 -8.254 1.00 21.34 C ATOM 921 O ASP A 58 -3.165 22.261 -8.283 1.00 32.41 O ATOM 922 CB ASP A 58 -4.831 19.608 -7.067 1.00 20.13 C ATOM 923 CG ASP A 58 -6.192 18.941 -7.109 1.00 0.42 C ATOM 924 OD1 ASP A 58 -6.264 17.721 -6.851 1.00 42.40 O ATOM 925 OD2 ASP A 58 -7.185 19.640 -7.399 1.00 35.05 O ATOM 0 H ASP A 58 -2.436 20.274 -9.013 1.00 35.23 H new ATOM 0 HA ASP A 58 -5.238 20.043 -9.131 1.00 35.15 H new ATOM 0 HB2 ASP A 58 -4.078 18.873 -6.781 1.00 20.13 H new ATOM 0 HB3 ASP A 58 -4.832 20.380 -6.297 1.00 20.13 H new ATOM 930 N TYR A 59 -5.400 22.438 -8.090 1.00 5.00 N ATOM 931 CA TYR A 59 -5.381 23.888 -7.934 1.00 63.41 C ATOM 932 C TYR A 59 -6.593 24.366 -7.140 1.00 44.05 C ATOM 933 O TYR A 59 -6.475 24.748 -5.975 1.00 75.03 O ATOM 934 CB TYR A 59 -5.353 24.568 -9.304 1.00 3.54 C ATOM 935 CG TYR A 59 -3.956 24.816 -9.828 1.00 55.13 C ATOM 936 CD1 TYR A 59 -3.482 24.136 -10.943 1.00 44.12 C ATOM 937 CD2 TYR A 59 -3.112 25.729 -9.209 1.00 22.10 C ATOM 938 CE1 TYR A 59 -2.206 24.358 -11.426 1.00 14.41 C ATOM 939 CE2 TYR A 59 -1.836 25.959 -9.686 1.00 22.24 C ATOM 940 CZ TYR A 59 -1.388 25.271 -10.794 1.00 44.00 C ATOM 941 OH TYR A 59 -0.117 25.496 -11.271 1.00 4.10 O ATOM 0 H TYR A 59 -6.331 22.023 -8.062 1.00 5.00 H new ATOM 0 HA TYR A 59 -4.480 24.158 -7.383 1.00 63.41 H new ATOM 0 HB2 TYR A 59 -5.896 23.949 -10.019 1.00 3.54 H new ATOM 0 HB3 TYR A 59 -5.882 25.519 -9.239 1.00 3.54 H new ATOM 0 HD1 TYR A 59 -4.121 23.422 -11.441 1.00 44.12 H new ATOM 0 HD2 TYR A 59 -3.459 26.268 -8.340 1.00 22.10 H new ATOM 0 HE1 TYR A 59 -1.852 23.820 -12.293 1.00 14.41 H new ATOM 0 HE2 TYR A 59 -1.193 26.674 -9.194 1.00 22.24 H new ATOM 0 HH TYR A 59 0.327 26.169 -10.714 1.00 4.10 H new ATOM 951 N LEU A 60 -7.757 24.342 -7.780 1.00 21.24 N ATOM 952 CA LEU A 60 -8.993 24.772 -7.135 1.00 2.03 C ATOM 953 C LEU A 60 -9.756 23.579 -6.569 1.00 22.40 C ATOM 954 O LEU A 60 -10.978 23.618 -6.433 1.00 55.42 O ATOM 955 CB LEU A 60 -9.873 25.530 -8.130 1.00 34.31 C ATOM 956 CG LEU A 60 -10.388 24.721 -9.321 1.00 55.33 C ATOM 957 CD1 LEU A 60 -11.873 24.428 -9.166 1.00 3.21 C ATOM 958 CD2 LEU A 60 -10.123 25.462 -10.623 1.00 42.55 C ATOM 0 H LEU A 60 -7.871 24.030 -8.744 1.00 21.24 H new ATOM 0 HA LEU A 60 -8.732 25.436 -6.311 1.00 2.03 H new ATOM 0 HB2 LEU A 60 -10.731 25.933 -7.592 1.00 34.31 H new ATOM 0 HB3 LEU A 60 -9.307 26.380 -8.511 1.00 34.31 H new ATOM 0 HG LEU A 60 -9.852 23.772 -9.350 1.00 55.33 H new ATOM 0 HD11 LEU A 60 -12.222 23.852 -10.023 1.00 3.21 H new ATOM 0 HD12 LEU A 60 -12.038 23.856 -8.253 1.00 3.21 H new ATOM 0 HD13 LEU A 60 -12.425 25.366 -9.111 1.00 3.21 H new ATOM 0 HD21 LEU A 60 -10.496 24.872 -11.460 1.00 42.55 H new ATOM 0 HD22 LEU A 60 -10.632 26.426 -10.603 1.00 42.55 H new ATOM 0 HD23 LEU A 60 -9.051 25.620 -10.740 1.00 42.55 H new TER 970 LEU A 60