USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 799 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 2 THR OG1 : rot 180:sc= 0.555 USER MOD Set 1.2: A 5 GLN : amide:sc= 0.611 K(o=1.2,f=0.28) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -100:sc= 0.0799 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 52 GLN : amide:sc= 0.4 X(o=0.4,f=-0.029) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.957) USER MOD Single : A 62 LYS NZ :NH3+ -115:sc= 0.136 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.825 K(o=0.83,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.786 K(o=-0.79,f=-1.3) USER MOD Single : A 80 TYR OH : rot 172:sc= -0.191 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.52) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 6:sc= 0.294 USER MOD Single : A 92 THR OG1 : rot 75:sc= 0.0511 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.093 2.825 -9.126 1.00 0.00 N ATOM 2 CA MET A 1 -16.297 4.074 -9.240 1.00 0.00 C ATOM 3 C MET A 1 -17.158 5.296 -8.960 1.00 0.00 C ATOM 4 O MET A 1 -18.252 5.432 -9.508 1.00 0.00 O ATOM 5 CB MET A 1 -15.700 4.198 -10.639 1.00 0.00 C ATOM 6 CG MET A 1 -14.527 3.272 -10.890 1.00 0.00 C ATOM 7 SD MET A 1 -13.834 3.474 -12.539 1.00 0.00 S ATOM 8 CE MET A 1 -12.556 2.222 -12.515 1.00 0.00 C ATOM 0 H1 MET A 1 -16.483 2.006 -9.322 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.480 2.747 -8.164 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.874 2.847 -9.813 1.00 0.00 H new ATOM 0 HA MET A 1 -15.497 4.025 -8.502 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.477 3.991 -11.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.378 5.227 -10.796 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.752 3.462 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.848 2.239 -10.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.031 2.219 -13.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.850 2.438 -11.714 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.008 1.244 -12.346 1.00 0.00 H new ATOM 18 N THR A 2 -16.658 6.181 -8.107 1.00 0.00 N ATOM 19 CA THR A 2 -17.375 7.404 -7.765 1.00 0.00 C ATOM 20 C THR A 2 -16.448 8.609 -7.868 1.00 0.00 C ATOM 21 O THR A 2 -15.228 8.460 -7.805 1.00 0.00 O ATOM 22 CB THR A 2 -17.969 7.342 -6.342 1.00 0.00 C ATOM 23 OG1 THR A 2 -16.983 6.886 -5.409 1.00 0.00 O ATOM 24 CG2 THR A 2 -19.176 6.418 -6.301 1.00 0.00 C ATOM 0 H THR A 2 -15.758 6.075 -7.639 1.00 0.00 H new ATOM 0 HA THR A 2 -18.195 7.505 -8.476 1.00 0.00 H new ATOM 0 HB THR A 2 -18.286 8.347 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.373 6.853 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 2 -19.578 6.390 -5.288 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.940 6.787 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.876 5.414 -6.600 1.00 0.00 H new ATOM 32 N PRO A 3 -17.012 9.820 -8.044 1.00 0.00 N ATOM 33 CA PRO A 3 -16.219 11.053 -8.143 1.00 0.00 C ATOM 34 C PRO A 3 -15.396 11.312 -6.882 1.00 0.00 C ATOM 35 O PRO A 3 -14.288 11.834 -6.954 1.00 0.00 O ATOM 36 CB PRO A 3 -17.273 12.153 -8.332 1.00 0.00 C ATOM 37 CG PRO A 3 -18.498 11.447 -8.801 1.00 0.00 C ATOM 38 CD PRO A 3 -18.455 10.085 -8.175 1.00 0.00 C ATOM 0 HA PRO A 3 -15.493 11.004 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.458 12.685 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.943 12.893 -9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.397 11.986 -8.502 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.515 11.376 -9.889 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.956 10.071 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.946 9.339 -8.800 1.00 0.00 H new ATOM 46 N GLU A 4 -15.939 10.918 -5.731 1.00 0.00 N ATOM 47 CA GLU A 4 -15.264 11.107 -4.450 1.00 0.00 C ATOM 48 C GLU A 4 -13.999 10.252 -4.345 1.00 0.00 C ATOM 49 O GLU A 4 -12.958 10.729 -3.899 1.00 0.00 O ATOM 50 CB GLU A 4 -16.214 10.771 -3.298 1.00 0.00 C ATOM 51 CG GLU A 4 -15.988 11.621 -2.059 1.00 0.00 C ATOM 52 CD GLU A 4 -16.953 11.290 -0.938 1.00 0.00 C ATOM 53 OE1 GLU A 4 -16.626 10.410 -0.114 1.00 0.00 O ATOM 54 OE2 GLU A 4 -18.034 11.912 -0.881 1.00 0.00 O ATOM 0 H GLU A 4 -16.849 10.464 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.968 12.154 -4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.242 10.901 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.096 9.720 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.966 11.478 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.091 12.674 -2.322 1.00 0.00 H new ATOM 61 N GLN A 5 -14.092 8.996 -4.771 1.00 0.00 N ATOM 62 CA GLN A 5 -12.955 8.078 -4.707 1.00 0.00 C ATOM 63 C GLN A 5 -11.896 8.415 -5.753 1.00 0.00 C ATOM 64 O GLN A 5 -10.700 8.273 -5.500 1.00 0.00 O ATOM 65 CB GLN A 5 -13.430 6.632 -4.893 1.00 0.00 C ATOM 66 CG GLN A 5 -14.126 6.056 -3.668 1.00 0.00 C ATOM 67 CD GLN A 5 -14.538 4.608 -3.857 1.00 0.00 C ATOM 68 OE1 GLN A 5 -13.789 3.689 -3.530 1.00 0.00 O ATOM 69 NE2 GLN A 5 -15.736 4.399 -4.391 1.00 0.00 N ATOM 0 H GLN A 5 -14.941 8.589 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.500 8.188 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.112 6.589 -5.742 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.573 6.006 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.461 6.131 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.009 6.654 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.325 5.191 -4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.067 3.446 -4.544 1.00 0.00 H new ATOM 78 N ARG A 6 -12.341 8.862 -6.923 1.00 0.00 N ATOM 79 CA ARG A 6 -11.436 9.205 -8.016 1.00 0.00 C ATOM 80 C ARG A 6 -10.717 10.538 -7.785 1.00 0.00 C ATOM 81 O ARG A 6 -9.677 10.797 -8.390 1.00 0.00 O ATOM 82 CB ARG A 6 -12.210 9.251 -9.334 1.00 0.00 C ATOM 83 CG ARG A 6 -12.574 7.875 -9.874 1.00 0.00 C ATOM 84 CD ARG A 6 -13.367 7.970 -11.169 1.00 0.00 C ATOM 85 NE ARG A 6 -12.522 8.334 -12.305 1.00 0.00 N ATOM 86 CZ ARG A 6 -12.985 8.580 -13.529 1.00 0.00 C ATOM 87 NH1 ARG A 6 -14.285 8.505 -13.784 1.00 0.00 N ATOM 88 NH2 ARG A 6 -12.143 8.904 -14.501 1.00 0.00 N ATOM 0 H ARG A 6 -13.329 8.996 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.671 8.430 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.123 9.829 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.613 9.778 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.665 7.299 -10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.158 7.334 -9.129 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.850 7.014 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.159 8.710 -11.055 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.516 8.404 -12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.937 8.258 -13.040 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.632 8.695 -14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.143 8.964 -14.310 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.496 9.093 -15.439 1.00 0.00 H new ATOM 102 N GLU A 7 -11.278 11.385 -6.921 1.00 0.00 N ATOM 103 CA GLU A 7 -10.685 12.692 -6.633 1.00 0.00 C ATOM 104 C GLU A 7 -9.799 12.665 -5.387 1.00 0.00 C ATOM 105 O GLU A 7 -8.787 13.362 -5.327 1.00 0.00 O ATOM 106 CB GLU A 7 -11.781 13.749 -6.468 1.00 0.00 C ATOM 107 CG GLU A 7 -12.325 14.270 -7.789 1.00 0.00 C ATOM 108 CD GLU A 7 -13.396 15.328 -7.607 1.00 0.00 C ATOM 109 OE1 GLU A 7 -14.583 14.957 -7.488 1.00 0.00 O ATOM 110 OE2 GLU A 7 -13.049 16.527 -7.587 1.00 0.00 O ATOM 0 H GLU A 7 -12.139 11.191 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.052 12.950 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.601 13.324 -5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.384 14.585 -5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.506 14.686 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.736 13.438 -8.361 1.00 0.00 H new ATOM 117 N PHE A 8 -10.175 11.858 -4.398 1.00 0.00 N ATOM 118 CA PHE A 8 -9.411 11.773 -3.151 1.00 0.00 C ATOM 119 C PHE A 8 -8.290 10.733 -3.223 1.00 0.00 C ATOM 120 O PHE A 8 -7.541 10.560 -2.264 1.00 0.00 O ATOM 121 CB PHE A 8 -10.343 11.459 -1.978 1.00 0.00 C ATOM 122 CG PHE A 8 -11.068 12.666 -1.453 1.00 0.00 C ATOM 123 CD1 PHE A 8 -12.294 13.035 -1.981 1.00 0.00 C ATOM 124 CD2 PHE A 8 -10.526 13.432 -0.432 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.965 14.144 -1.505 1.00 0.00 C ATOM 126 CE2 PHE A 8 -11.193 14.543 0.049 1.00 0.00 C ATOM 127 CZ PHE A 8 -12.415 14.899 -0.489 1.00 0.00 C ATOM 0 H PHE A 8 -10.998 11.256 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.943 12.745 -2.996 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.074 10.714 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.762 11.014 -1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.731 12.448 -2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.572 13.157 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -13.920 14.420 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.760 15.132 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.939 15.766 -0.115 1.00 0.00 H new ATOM 137 N LEU A 9 -8.178 10.048 -4.357 1.00 0.00 N ATOM 138 CA LEU A 9 -7.136 9.033 -4.538 1.00 0.00 C ATOM 139 C LEU A 9 -5.803 9.621 -5.044 1.00 0.00 C ATOM 140 O LEU A 9 -4.748 9.264 -4.522 1.00 0.00 O ATOM 141 CB LEU A 9 -7.609 7.924 -5.484 1.00 0.00 C ATOM 142 CG LEU A 9 -7.018 6.537 -5.201 1.00 0.00 C ATOM 143 CD1 LEU A 9 -7.818 5.820 -4.124 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.974 5.701 -6.470 1.00 0.00 C ATOM 0 H LEU A 9 -8.791 10.173 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.949 8.612 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.696 7.858 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.359 8.208 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.998 6.672 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.381 4.838 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.797 6.405 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.850 5.702 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.551 4.722 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.984 5.580 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.355 6.202 -7.214 1.00 0.00 H new ATOM 156 N PRO A 10 -5.802 10.510 -6.070 1.00 0.00 N ATOM 157 CA PRO A 10 -4.559 11.096 -6.594 1.00 0.00 C ATOM 158 C PRO A 10 -3.937 12.130 -5.654 1.00 0.00 C ATOM 159 O PRO A 10 -2.785 12.528 -5.835 1.00 0.00 O ATOM 160 CB PRO A 10 -4.987 11.772 -7.910 1.00 0.00 C ATOM 161 CG PRO A 10 -6.397 11.347 -8.152 1.00 0.00 C ATOM 162 CD PRO A 10 -6.972 11.005 -6.811 1.00 0.00 C ATOM 0 HA PRO A 10 -3.793 10.330 -6.718 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.914 12.857 -7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.341 11.467 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.967 12.145 -8.627 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.434 10.487 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.418 11.875 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.752 10.248 -6.887 1.00 0.00 H new ATOM 170 N GLU A 11 -4.695 12.552 -4.646 1.00 0.00 N ATOM 171 CA GLU A 11 -4.217 13.552 -3.695 1.00 0.00 C ATOM 172 C GLU A 11 -3.481 12.916 -2.514 1.00 0.00 C ATOM 173 O GLU A 11 -2.539 13.500 -1.977 1.00 0.00 O ATOM 174 CB GLU A 11 -5.390 14.399 -3.200 1.00 0.00 C ATOM 175 CG GLU A 11 -5.546 15.714 -3.952 1.00 0.00 C ATOM 176 CD GLU A 11 -6.390 15.583 -5.209 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.922 14.954 -6.183 1.00 0.00 O ATOM 178 OE2 GLU A 11 -7.518 16.118 -5.220 1.00 0.00 O ATOM 0 H GLU A 11 -5.642 12.218 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.501 14.190 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.310 13.823 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.254 14.609 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.000 16.452 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.560 16.091 -4.221 1.00 0.00 H new ATOM 185 N ILE A 12 -3.907 11.718 -2.115 1.00 0.00 N ATOM 186 CA ILE A 12 -3.274 11.014 -1.001 1.00 0.00 C ATOM 187 C ILE A 12 -1.935 10.409 -1.422 1.00 0.00 C ATOM 188 O ILE A 12 -1.033 10.249 -0.598 1.00 0.00 O ATOM 189 CB ILE A 12 -4.176 9.907 -0.401 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.816 9.053 -1.496 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.252 10.523 0.481 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.133 7.718 -1.703 1.00 0.00 C ATOM 0 H ILE A 12 -4.684 11.217 -2.545 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.108 11.763 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.546 9.257 0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.863 8.881 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.800 9.609 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.878 9.733 0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.783 11.078 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.867 11.199 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.642 7.168 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.093 7.881 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.172 7.142 -0.778 1.00 0.00 H new ATOM 204 N LEU A 13 -1.831 10.056 -2.708 1.00 0.00 N ATOM 205 CA LEU A 13 -0.619 9.452 -3.271 1.00 0.00 C ATOM 206 C LEU A 13 0.636 10.277 -2.962 1.00 0.00 C ATOM 207 O LEU A 13 1.693 9.719 -2.682 1.00 0.00 O ATOM 208 CB LEU A 13 -0.770 9.291 -4.787 1.00 0.00 C ATOM 209 CG LEU A 13 -0.219 7.983 -5.367 1.00 0.00 C ATOM 210 CD1 LEU A 13 -0.949 7.615 -6.649 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.277 8.097 -5.626 1.00 0.00 C ATOM 0 H LEU A 13 -2.583 10.181 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.496 8.475 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.828 9.364 -5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.268 10.126 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.384 7.192 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.543 6.684 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.011 7.488 -6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.817 8.409 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.648 7.158 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.463 8.903 -6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.793 8.312 -4.690 1.00 0.00 H new ATOM 223 N ALA A 14 0.512 11.602 -3.005 1.00 0.00 N ATOM 224 CA ALA A 14 1.638 12.495 -2.736 1.00 0.00 C ATOM 225 C ALA A 14 2.159 12.337 -1.308 1.00 0.00 C ATOM 226 O ALA A 14 3.369 12.336 -1.076 1.00 0.00 O ATOM 227 CB ALA A 14 1.227 13.940 -2.992 1.00 0.00 C ATOM 0 H ALA A 14 -0.360 12.083 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 14 2.449 12.223 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.071 14.600 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.920 14.052 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.396 14.203 -2.338 1.00 0.00 H new ATOM 233 N GLU A 15 1.237 12.194 -0.358 1.00 0.00 N ATOM 234 CA GLU A 15 1.593 12.047 1.053 1.00 0.00 C ATOM 235 C GLU A 15 2.144 10.656 1.391 1.00 0.00 C ATOM 236 O GLU A 15 2.702 10.463 2.469 1.00 0.00 O ATOM 237 CB GLU A 15 0.379 12.338 1.940 1.00 0.00 C ATOM 238 CG GLU A 15 0.011 13.811 2.019 1.00 0.00 C ATOM 239 CD GLU A 15 -1.217 14.054 2.874 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.341 13.971 2.335 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.057 14.327 4.083 1.00 0.00 O ATOM 0 H GLU A 15 0.234 12.177 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 15 2.386 12.769 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.477 11.780 1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.580 11.970 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.852 14.371 2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.168 14.193 1.014 1.00 0.00 H new ATOM 248 N ILE A 16 2.003 9.684 0.487 1.00 0.00 N ATOM 249 CA ILE A 16 2.494 8.332 0.768 1.00 0.00 C ATOM 250 C ILE A 16 3.906 8.089 0.218 1.00 0.00 C ATOM 251 O ILE A 16 4.660 7.313 0.792 1.00 0.00 O ATOM 252 CB ILE A 16 1.531 7.224 0.255 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.865 5.886 0.922 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.597 7.086 -1.258 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.663 4.997 1.152 1.00 0.00 C ATOM 0 H ILE A 16 1.563 9.802 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 16 2.536 8.268 1.855 1.00 0.00 H new ATOM 0 HB ILE A 16 0.514 7.514 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.586 5.352 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.349 6.080 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.912 6.303 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.314 8.031 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.613 6.825 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.982 4.070 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.050 5.509 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.190 4.771 0.197 1.00 0.00 H new ATOM 267 N ILE A 17 4.276 8.759 -0.876 1.00 0.00 N ATOM 268 CA ILE A 17 5.607 8.563 -1.463 1.00 0.00 C ATOM 269 C ILE A 17 6.720 9.046 -0.530 1.00 0.00 C ATOM 270 O ILE A 17 7.771 8.414 -0.426 1.00 0.00 O ATOM 271 CB ILE A 17 5.762 9.286 -2.822 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.543 9.049 -3.712 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.025 8.813 -3.531 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.289 10.163 -4.706 1.00 0.00 C ATOM 0 H ILE A 17 3.686 9.431 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 17 5.700 7.488 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 17 5.841 10.356 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.677 8.113 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.662 8.929 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.122 9.330 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.894 9.032 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.964 7.739 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.408 9.925 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.122 11.098 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.153 10.270 -5.362 1.00 0.00 H new ATOM 286 N ALA A 18 6.473 10.153 0.161 1.00 0.00 N ATOM 287 CA ALA A 18 7.464 10.734 1.061 1.00 0.00 C ATOM 288 C ALA A 18 7.350 10.201 2.491 1.00 0.00 C ATOM 289 O ALA A 18 8.213 10.475 3.323 1.00 0.00 O ATOM 290 CB ALA A 18 7.334 12.250 1.056 1.00 0.00 C ATOM 0 H ALA A 18 5.593 10.667 0.115 1.00 0.00 H new ATOM 0 HA ALA A 18 8.447 10.441 0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.075 12.681 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.499 12.626 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.335 12.531 1.389 1.00 0.00 H new ATOM 296 N ASN A 19 6.291 9.447 2.782 1.00 0.00 N ATOM 297 CA ASN A 19 6.087 8.915 4.131 1.00 0.00 C ATOM 298 C ASN A 19 6.059 7.386 4.155 1.00 0.00 C ATOM 299 O ASN A 19 5.491 6.785 5.068 1.00 0.00 O ATOM 300 CB ASN A 19 4.787 9.465 4.721 1.00 0.00 C ATOM 301 CG ASN A 19 4.916 10.911 5.158 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.288 11.196 6.296 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.608 11.834 4.255 1.00 0.00 N ATOM 0 H ASN A 19 5.567 9.192 2.110 1.00 0.00 H new ATOM 0 HA ASN A 19 6.935 9.237 4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.992 9.382 3.980 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.492 8.855 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.676 12.823 4.494 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.304 11.554 3.323 1.00 0.00 H new ATOM 310 N LEU A 20 6.666 6.757 3.156 1.00 0.00 N ATOM 311 CA LEU A 20 6.689 5.297 3.088 1.00 0.00 C ATOM 312 C LEU A 20 8.102 4.762 2.896 1.00 0.00 C ATOM 313 O LEU A 20 8.937 5.387 2.243 1.00 0.00 O ATOM 314 CB LEU A 20 5.804 4.797 1.945 1.00 0.00 C ATOM 315 CG LEU A 20 5.416 3.319 2.020 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.023 3.163 2.605 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.492 2.682 0.640 1.00 0.00 C ATOM 0 H LEU A 20 7.145 7.227 2.388 1.00 0.00 H new ATOM 0 HA LEU A 20 6.305 4.928 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.893 5.395 1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.322 4.973 1.002 1.00 0.00 H new ATOM 0 HG LEU A 20 6.121 2.808 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.764 2.105 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.001 3.586 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.303 3.686 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.213 1.630 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.808 3.195 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.509 2.763 0.257 1.00 0.00 H new ATOM 329 N ASP A 21 8.353 3.590 3.473 1.00 0.00 N ATOM 330 CA ASP A 21 9.648 2.931 3.365 1.00 0.00 C ATOM 331 C ASP A 21 9.459 1.490 2.897 1.00 0.00 C ATOM 332 O ASP A 21 9.133 0.614 3.696 1.00 0.00 O ATOM 333 CB ASP A 21 10.380 2.960 4.711 1.00 0.00 C ATOM 334 CG ASP A 21 11.004 4.311 5.002 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.276 5.218 5.460 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.223 4.462 4.773 1.00 0.00 O ATOM 0 H ASP A 21 7.668 3.074 4.025 1.00 0.00 H new ATOM 0 HA ASP A 21 10.254 3.466 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.680 2.707 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.157 2.196 4.715 1.00 0.00 H new ATOM 341 N PRO A 22 9.660 1.233 1.587 1.00 0.00 N ATOM 342 CA PRO A 22 9.494 -0.105 0.985 1.00 0.00 C ATOM 343 C PRO A 22 10.392 -1.180 1.599 1.00 0.00 C ATOM 344 O PRO A 22 10.071 -2.364 1.541 1.00 0.00 O ATOM 345 CB PRO A 22 9.880 0.112 -0.485 1.00 0.00 C ATOM 346 CG PRO A 22 9.724 1.572 -0.719 1.00 0.00 C ATOM 347 CD PRO A 22 10.059 2.237 0.583 1.00 0.00 C ATOM 0 HA PRO A 22 8.480 -0.472 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.904 -0.210 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.237 -0.464 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.388 1.913 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.707 1.811 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.120 2.476 0.652 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.513 3.172 0.710 1.00 0.00 H new ATOM 355 N THR A 23 11.510 -0.765 2.182 1.00 0.00 N ATOM 356 CA THR A 23 12.461 -1.695 2.790 1.00 0.00 C ATOM 357 C THR A 23 11.979 -2.228 4.140 1.00 0.00 C ATOM 358 O THR A 23 12.068 -3.426 4.412 1.00 0.00 O ATOM 359 CB THR A 23 13.825 -1.013 2.995 1.00 0.00 C ATOM 360 OG1 THR A 23 13.632 0.348 3.407 1.00 0.00 O ATOM 361 CG2 THR A 23 14.647 -1.048 1.715 1.00 0.00 C ATOM 0 H THR A 23 11.784 0.215 2.248 1.00 0.00 H new ATOM 0 HA THR A 23 12.552 -2.534 2.100 1.00 0.00 H new ATOM 0 HB THR A 23 14.367 -1.556 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.503 0.777 3.538 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.607 -0.560 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.814 -2.083 1.418 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.110 -0.526 0.923 1.00 0.00 H new ATOM 369 N LYS A 24 11.461 -1.331 4.973 1.00 0.00 N ATOM 370 CA LYS A 24 10.998 -1.689 6.313 1.00 0.00 C ATOM 371 C LYS A 24 9.709 -2.513 6.307 1.00 0.00 C ATOM 372 O LYS A 24 9.491 -3.328 7.204 1.00 0.00 O ATOM 373 CB LYS A 24 10.795 -0.422 7.147 1.00 0.00 C ATOM 374 CG LYS A 24 11.143 -0.601 8.614 1.00 0.00 C ATOM 375 CD LYS A 24 10.991 0.696 9.391 1.00 0.00 C ATOM 376 CE LYS A 24 11.195 0.472 10.880 1.00 0.00 C ATOM 377 NZ LYS A 24 11.022 1.727 11.663 1.00 0.00 N ATOM 0 H LYS A 24 11.350 -0.343 4.743 1.00 0.00 H new ATOM 0 HA LYS A 24 11.772 -2.317 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.407 0.379 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.755 -0.105 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.498 -1.364 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.168 -0.961 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.714 1.427 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.000 1.114 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.486 -0.277 11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.194 0.072 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.170 1.529 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.715 2.434 11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.060 2.096 11.520 1.00 0.00 H new ATOM 391 N ILE A 25 8.859 -2.309 5.307 1.00 0.00 N ATOM 392 CA ILE A 25 7.590 -3.035 5.238 1.00 0.00 C ATOM 393 C ILE A 25 7.715 -4.373 4.506 1.00 0.00 C ATOM 394 O ILE A 25 7.017 -5.330 4.840 1.00 0.00 O ATOM 395 CB ILE A 25 6.480 -2.195 4.568 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.952 -1.641 3.224 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.039 -1.062 5.483 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.858 -1.571 2.185 1.00 0.00 C ATOM 0 H ILE A 25 9.019 -1.656 4.540 1.00 0.00 H new ATOM 0 HA ILE A 25 7.314 -3.233 6.274 1.00 0.00 H new ATOM 0 HB ILE A 25 5.626 -2.848 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.363 -0.643 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.762 -2.265 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.257 -0.482 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.654 -1.476 6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.890 -0.415 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.263 -1.169 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.462 -2.571 2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.058 -0.923 2.542 1.00 0.00 H new ATOM 410 N LEU A 26 8.607 -4.437 3.519 1.00 0.00 N ATOM 411 CA LEU A 26 8.801 -5.653 2.725 1.00 0.00 C ATOM 412 C LEU A 26 9.251 -6.840 3.576 1.00 0.00 C ATOM 413 O LEU A 26 8.868 -7.980 3.311 1.00 0.00 O ATOM 414 CB LEU A 26 9.832 -5.398 1.625 1.00 0.00 C ATOM 415 CG LEU A 26 9.661 -6.243 0.364 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.695 -5.571 -0.596 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.005 -6.474 -0.306 1.00 0.00 C ATOM 0 H LEU A 26 9.209 -3.660 3.248 1.00 0.00 H new ATOM 0 HA LEU A 26 7.836 -5.907 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.789 -4.345 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.827 -5.579 2.032 1.00 0.00 H new ATOM 0 HG LEU A 26 9.248 -7.211 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.584 -6.185 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.725 -5.454 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.082 -4.591 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.866 -7.078 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.445 -5.515 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.670 -6.995 0.383 1.00 0.00 H new ATOM 429 N GLU A 27 10.051 -6.560 4.599 1.00 0.00 N ATOM 430 CA GLU A 27 10.585 -7.596 5.481 1.00 0.00 C ATOM 431 C GLU A 27 9.495 -8.325 6.273 1.00 0.00 C ATOM 432 O GLU A 27 9.537 -9.549 6.407 1.00 0.00 O ATOM 433 CB GLU A 27 11.590 -6.975 6.449 1.00 0.00 C ATOM 434 CG GLU A 27 12.920 -6.620 5.806 1.00 0.00 C ATOM 435 CD GLU A 27 13.905 -6.046 6.802 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.656 -6.834 7.415 1.00 0.00 O ATOM 437 OE2 GLU A 27 13.921 -4.810 6.974 1.00 0.00 O ATOM 0 H GLU A 27 10.347 -5.614 4.841 1.00 0.00 H new ATOM 0 HA GLU A 27 11.071 -8.337 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.155 -6.075 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.768 -7.670 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.348 -7.511 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.753 -5.898 5.006 1.00 0.00 H new ATOM 444 N GLU A 28 8.520 -7.574 6.784 1.00 0.00 N ATOM 445 CA GLU A 28 7.439 -8.150 7.587 1.00 0.00 C ATOM 446 C GLU A 28 6.422 -8.918 6.742 1.00 0.00 C ATOM 447 O GLU A 28 5.764 -9.836 7.236 1.00 0.00 O ATOM 448 CB GLU A 28 6.725 -7.048 8.371 1.00 0.00 C ATOM 449 CG GLU A 28 7.559 -6.466 9.502 1.00 0.00 C ATOM 450 CD GLU A 28 7.542 -7.329 10.749 1.00 0.00 C ATOM 451 OE1 GLU A 28 6.651 -7.122 11.600 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.420 -8.208 10.877 1.00 0.00 O ATOM 0 H GLU A 28 8.455 -6.564 6.657 1.00 0.00 H new ATOM 0 HA GLU A 28 7.898 -8.863 8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.449 -6.247 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.799 -7.449 8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.588 -6.345 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.186 -5.472 9.748 1.00 0.00 H new ATOM 459 N LEU A 29 6.299 -8.545 5.473 1.00 0.00 N ATOM 460 CA LEU A 29 5.347 -9.192 4.574 1.00 0.00 C ATOM 461 C LEU A 29 5.870 -10.533 4.058 1.00 0.00 C ATOM 462 O LEU A 29 5.098 -11.473 3.862 1.00 0.00 O ATOM 463 CB LEU A 29 5.033 -8.266 3.399 1.00 0.00 C ATOM 464 CG LEU A 29 3.752 -7.442 3.544 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.980 -6.250 4.460 1.00 0.00 C ATOM 466 CD2 LEU A 29 3.264 -6.978 2.184 1.00 0.00 C ATOM 0 H LEU A 29 6.845 -7.799 5.043 1.00 0.00 H new ATOM 0 HA LEU A 29 4.437 -9.390 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.871 -7.583 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.959 -8.867 2.493 1.00 0.00 H new ATOM 0 HG LEU A 29 2.986 -8.076 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.057 -5.678 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.286 -6.602 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.762 -5.615 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.352 -6.393 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.030 -6.362 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.059 -7.845 1.556 1.00 0.00 H new ATOM 478 N LEU A 30 7.180 -10.614 3.844 1.00 0.00 N ATOM 479 CA LEU A 30 7.809 -11.833 3.342 1.00 0.00 C ATOM 480 C LEU A 30 7.891 -12.917 4.414 1.00 0.00 C ATOM 481 O LEU A 30 7.835 -14.109 4.108 1.00 0.00 O ATOM 482 CB LEU A 30 9.211 -11.523 2.822 1.00 0.00 C ATOM 483 CG LEU A 30 9.255 -10.801 1.477 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.556 -10.029 1.331 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.086 -11.793 0.338 1.00 0.00 C ATOM 0 H LEU A 30 7.830 -9.846 4.011 1.00 0.00 H new ATOM 0 HA LEU A 30 7.186 -12.210 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.730 -10.914 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.765 -12.458 2.734 1.00 0.00 H new ATOM 0 HG LEU A 30 8.430 -10.090 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.571 -9.520 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.634 -9.293 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.397 -10.719 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.120 -11.263 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.890 -12.528 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.127 -12.301 0.437 1.00 0.00 H new ATOM 497 N ARG A 31 8.022 -12.495 5.670 1.00 0.00 N ATOM 498 CA ARG A 31 8.135 -13.426 6.792 1.00 0.00 C ATOM 499 C ARG A 31 6.812 -14.125 7.087 1.00 0.00 C ATOM 500 O ARG A 31 6.794 -15.221 7.649 1.00 0.00 O ATOM 501 CB ARG A 31 8.616 -12.685 8.037 1.00 0.00 C ATOM 502 CG ARG A 31 10.095 -12.349 8.003 1.00 0.00 C ATOM 503 CD ARG A 31 10.525 -11.602 9.252 1.00 0.00 C ATOM 504 NE ARG A 31 11.936 -11.234 9.206 1.00 0.00 N ATOM 505 CZ ARG A 31 12.527 -10.456 10.108 1.00 0.00 C ATOM 506 NH1 ARG A 31 11.831 -9.963 11.124 1.00 0.00 N ATOM 507 NH2 ARG A 31 13.816 -10.171 9.993 1.00 0.00 N ATOM 0 H ARG A 31 8.053 -11.511 5.937 1.00 0.00 H new ATOM 0 HA ARG A 31 8.860 -14.191 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.044 -11.764 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.409 -13.295 8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.675 -13.267 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.311 -11.743 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.919 -10.703 9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.340 -12.223 10.128 1.00 0.00 H new ATOM 0 HE ARG A 31 12.502 -11.594 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.839 -10.180 11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.288 -9.367 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.354 -10.548 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.270 -9.574 10.684 1.00 0.00 H new ATOM 521 N ARG A 32 5.707 -13.490 6.711 1.00 0.00 N ATOM 522 CA ARG A 32 4.384 -14.060 6.942 1.00 0.00 C ATOM 523 C ARG A 32 3.923 -14.887 5.745 1.00 0.00 C ATOM 524 O ARG A 32 2.941 -15.625 5.832 1.00 0.00 O ATOM 525 CB ARG A 32 3.375 -12.951 7.243 1.00 0.00 C ATOM 526 CG ARG A 32 3.682 -12.189 8.525 1.00 0.00 C ATOM 527 CD ARG A 32 2.467 -11.434 9.036 1.00 0.00 C ATOM 528 NE ARG A 32 2.760 -10.691 10.261 1.00 0.00 N ATOM 529 CZ ARG A 32 1.831 -10.095 11.007 1.00 0.00 C ATOM 530 NH1 ARG A 32 0.552 -10.158 10.657 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.179 -9.439 12.105 1.00 0.00 N ATOM 0 H ARG A 32 5.701 -12.582 6.246 1.00 0.00 H new ATOM 0 HA ARG A 32 4.448 -14.724 7.804 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.356 -12.251 6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.378 -13.386 7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.025 -12.886 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.497 -11.488 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.119 -10.744 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.656 -12.137 9.224 1.00 0.00 H new ATOM 0 HE ARG A 32 3.732 -10.625 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.278 -10.664 9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.157 -9.701 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.160 -9.390 12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.466 -8.983 12.675 1.00 0.00 H new ATOM 545 N GLY A 33 4.643 -14.763 4.630 1.00 0.00 N ATOM 546 CA GLY A 33 4.302 -15.507 3.429 1.00 0.00 C ATOM 547 C GLY A 33 3.187 -14.859 2.631 1.00 0.00 C ATOM 548 O GLY A 33 2.427 -15.545 1.948 1.00 0.00 O ATOM 0 H GLY A 33 5.459 -14.158 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.187 -15.597 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.004 -16.518 3.706 1.00 0.00 H new ATOM 552 N LEU A 34 3.092 -13.536 2.716 1.00 0.00 N ATOM 553 CA LEU A 34 2.062 -12.788 2.000 1.00 0.00 C ATOM 554 C LEU A 34 2.583 -12.230 0.673 1.00 0.00 C ATOM 555 O LEU A 34 1.799 -11.857 -0.199 1.00 0.00 O ATOM 556 CB LEU A 34 1.554 -11.637 2.875 1.00 0.00 C ATOM 557 CG LEU A 34 0.244 -10.985 2.421 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.598 -10.588 3.623 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.531 -9.771 1.549 1.00 0.00 C ATOM 0 H LEU A 34 3.718 -12.957 3.276 1.00 0.00 H new ATOM 0 HA LEU A 34 1.247 -13.477 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.420 -12.009 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.326 -10.868 2.916 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.317 -11.710 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.525 -10.126 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.830 -11.474 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.044 -9.878 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.409 -9.319 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.111 -9.044 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.097 -10.080 0.670 1.00 0.00 H new ATOM 571 N LEU A 35 3.898 -12.210 0.501 1.00 0.00 N ATOM 572 CA LEU A 35 4.485 -11.652 -0.709 1.00 0.00 C ATOM 573 C LEU A 35 5.097 -12.738 -1.591 1.00 0.00 C ATOM 574 O LEU A 35 5.719 -13.677 -1.094 1.00 0.00 O ATOM 575 CB LEU A 35 5.561 -10.633 -0.333 1.00 0.00 C ATOM 576 CG LEU A 35 5.591 -9.364 -1.186 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.152 -8.196 -0.390 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.412 -9.594 -2.444 1.00 0.00 C ATOM 0 H LEU A 35 4.572 -12.570 1.177 1.00 0.00 H new ATOM 0 HA LEU A 35 3.690 -11.167 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.418 -10.347 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.535 -11.118 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 35 4.569 -9.119 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.165 -7.303 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.527 -8.018 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.167 -8.429 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.425 -8.683 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.432 -9.862 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.969 -10.403 -3.025 1.00 0.00 H new ATOM 590 N THR A 36 4.911 -12.602 -2.907 1.00 0.00 N ATOM 591 CA THR A 36 5.456 -13.566 -3.858 1.00 0.00 C ATOM 592 C THR A 36 6.650 -12.980 -4.611 1.00 0.00 C ATOM 593 O THR A 36 6.787 -11.763 -4.719 1.00 0.00 O ATOM 594 CB THR A 36 4.396 -14.034 -4.879 1.00 0.00 C ATOM 595 OG1 THR A 36 3.827 -12.908 -5.559 1.00 0.00 O ATOM 596 CG2 THR A 36 3.299 -14.836 -4.194 1.00 0.00 C ATOM 0 H THR A 36 4.389 -11.836 -3.333 1.00 0.00 H new ATOM 0 HA THR A 36 5.780 -14.427 -3.274 1.00 0.00 H new ATOM 0 HB THR A 36 4.890 -14.677 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.957 -12.691 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.565 -15.154 -4.934 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.735 -15.713 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.811 -14.216 -3.442 1.00 0.00 H new ATOM 604 N PRO A 37 7.531 -13.845 -5.145 1.00 0.00 N ATOM 605 CA PRO A 37 8.719 -13.413 -5.894 1.00 0.00 C ATOM 606 C PRO A 37 8.376 -12.698 -7.205 1.00 0.00 C ATOM 607 O PRO A 37 9.142 -11.862 -7.674 1.00 0.00 O ATOM 608 CB PRO A 37 9.470 -14.723 -6.182 1.00 0.00 C ATOM 609 CG PRO A 37 8.858 -15.743 -5.283 1.00 0.00 C ATOM 610 CD PRO A 37 7.444 -15.309 -5.057 1.00 0.00 C ATOM 0 HA PRO A 37 9.300 -12.687 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.368 -15.011 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.536 -14.615 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.893 -16.733 -5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.401 -15.806 -4.340 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.770 -15.719 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.072 -15.634 -4.085 1.00 0.00 H new ATOM 618 N ALA A 38 7.219 -13.028 -7.784 1.00 0.00 N ATOM 619 CA ALA A 38 6.779 -12.415 -9.039 1.00 0.00 C ATOM 620 C ALA A 38 6.404 -10.948 -8.836 1.00 0.00 C ATOM 621 O ALA A 38 6.743 -10.093 -9.655 1.00 0.00 O ATOM 622 CB ALA A 38 5.602 -13.190 -9.611 1.00 0.00 C ATOM 0 H ALA A 38 6.570 -13.717 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 38 7.607 -12.452 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.281 -12.727 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.903 -14.220 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.778 -13.178 -8.898 1.00 0.00 H new ATOM 628 N GLU A 39 5.707 -10.669 -7.736 1.00 0.00 N ATOM 629 CA GLU A 39 5.289 -9.308 -7.410 1.00 0.00 C ATOM 630 C GLU A 39 6.483 -8.484 -6.934 1.00 0.00 C ATOM 631 O GLU A 39 6.605 -7.294 -7.248 1.00 0.00 O ATOM 632 CB GLU A 39 4.216 -9.339 -6.316 1.00 0.00 C ATOM 633 CG GLU A 39 2.874 -9.878 -6.786 1.00 0.00 C ATOM 634 CD GLU A 39 1.891 -10.052 -5.645 1.00 0.00 C ATOM 635 OE1 GLU A 39 1.669 -9.076 -4.897 1.00 0.00 O ATOM 636 OE2 GLU A 39 1.346 -11.166 -5.495 1.00 0.00 O ATOM 0 H GLU A 39 5.419 -11.370 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 39 4.877 -8.847 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.573 -9.951 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.076 -8.330 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.451 -9.198 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.024 -10.837 -7.283 1.00 0.00 H new ATOM 643 N LEU A 40 7.366 -9.142 -6.188 1.00 0.00 N ATOM 644 CA LEU A 40 8.556 -8.503 -5.641 1.00 0.00 C ATOM 645 C LEU A 40 9.523 -8.071 -6.734 1.00 0.00 C ATOM 646 O LEU A 40 9.898 -6.907 -6.799 1.00 0.00 O ATOM 647 CB LEU A 40 9.270 -9.453 -4.677 1.00 0.00 C ATOM 648 CG LEU A 40 10.185 -8.771 -3.653 1.00 0.00 C ATOM 649 CD1 LEU A 40 10.143 -9.500 -2.322 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.615 -8.703 -4.169 1.00 0.00 C ATOM 0 H LEU A 40 7.276 -10.129 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 40 8.228 -7.611 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.520 -10.034 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.863 -10.158 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 40 9.821 -7.755 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.800 -8.998 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.123 -9.497 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.476 -10.529 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.247 -8.215 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.984 -9.712 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.640 -8.133 -5.098 1.00 0.00 H new ATOM 662 N GLN A 41 9.915 -9.017 -7.587 1.00 0.00 N ATOM 663 CA GLN A 41 10.863 -8.751 -8.670 1.00 0.00 C ATOM 664 C GLN A 41 10.393 -7.638 -9.602 1.00 0.00 C ATOM 665 O GLN A 41 11.207 -7.018 -10.276 1.00 0.00 O ATOM 666 CB GLN A 41 11.117 -10.025 -9.477 1.00 0.00 C ATOM 667 CG GLN A 41 12.038 -11.013 -8.779 1.00 0.00 C ATOM 668 CD GLN A 41 13.506 -10.670 -8.944 1.00 0.00 C ATOM 669 OE1 GLN A 41 14.141 -11.061 -9.922 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.056 -9.936 -7.983 1.00 0.00 N ATOM 0 H GLN A 41 9.588 -9.982 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 41 11.789 -8.416 -8.203 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.163 -10.512 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.550 -9.755 -10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.794 -11.041 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.857 -12.012 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.494 -9.632 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.041 -9.676 -8.040 1.00 0.00 H new ATOM 679 N GLU A 42 9.087 -7.393 -9.650 1.00 0.00 N ATOM 680 CA GLU A 42 8.552 -6.349 -10.521 1.00 0.00 C ATOM 681 C GLU A 42 8.801 -4.952 -9.949 1.00 0.00 C ATOM 682 O GLU A 42 9.452 -4.110 -10.585 1.00 0.00 O ATOM 683 CB GLU A 42 7.053 -6.558 -10.742 1.00 0.00 C ATOM 684 CG GLU A 42 6.550 -6.041 -12.081 1.00 0.00 C ATOM 685 CD GLU A 42 5.062 -6.266 -12.268 1.00 0.00 C ATOM 686 OE1 GLU A 42 4.684 -7.334 -12.793 1.00 0.00 O ATOM 687 OE2 GLU A 42 4.275 -5.373 -11.887 1.00 0.00 O ATOM 0 H GLU A 42 8.387 -7.895 -9.104 1.00 0.00 H new ATOM 0 HA GLU A 42 9.074 -6.421 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.830 -7.622 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.505 -6.060 -9.942 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.766 -4.976 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.093 -6.537 -12.886 1.00 0.00 H new ATOM 694 N VAL A 43 8.322 -4.720 -8.726 1.00 0.00 N ATOM 695 CA VAL A 43 8.477 -3.417 -8.089 1.00 0.00 C ATOM 696 C VAL A 43 9.909 -3.202 -7.587 1.00 0.00 C ATOM 697 O VAL A 43 10.357 -2.069 -7.445 1.00 0.00 O ATOM 698 CB VAL A 43 7.447 -3.207 -6.948 1.00 0.00 C ATOM 699 CG1 VAL A 43 7.604 -4.243 -5.852 1.00 0.00 C ATOM 700 CG2 VAL A 43 7.541 -1.798 -6.375 1.00 0.00 C ATOM 0 H VAL A 43 7.828 -5.412 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 43 8.277 -2.665 -8.852 1.00 0.00 H new ATOM 0 HB VAL A 43 6.455 -3.334 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.865 -4.062 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.455 -5.239 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.605 -4.174 -5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.808 -1.680 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.542 -1.634 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.341 -1.071 -7.162 1.00 0.00 H new ATOM 710 N LEU A 44 10.637 -4.286 -7.347 1.00 0.00 N ATOM 711 CA LEU A 44 12.014 -4.171 -6.885 1.00 0.00 C ATOM 712 C LEU A 44 12.942 -3.863 -8.054 1.00 0.00 C ATOM 713 O LEU A 44 14.008 -3.272 -7.872 1.00 0.00 O ATOM 714 CB LEU A 44 12.466 -5.449 -6.182 1.00 0.00 C ATOM 715 CG LEU A 44 13.742 -5.308 -5.355 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.407 -4.907 -3.928 1.00 0.00 C ATOM 717 CD2 LEU A 44 14.537 -6.602 -5.379 1.00 0.00 C ATOM 0 H LEU A 44 10.302 -5.243 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 44 12.060 -3.351 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.663 -5.791 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.620 -6.225 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 44 14.357 -4.523 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.327 -4.811 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.880 -3.953 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.773 -5.669 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.443 -6.483 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.933 -7.408 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.807 -6.844 -6.407 1.00 0.00 H new ATOM 729 N ASP A 45 12.525 -4.266 -9.253 1.00 0.00 N ATOM 730 CA ASP A 45 13.307 -4.020 -10.457 1.00 0.00 C ATOM 731 C ASP A 45 13.282 -2.544 -10.828 1.00 0.00 C ATOM 732 O ASP A 45 14.319 -1.972 -11.164 1.00 0.00 O ATOM 733 CB ASP A 45 12.779 -4.852 -11.625 1.00 0.00 C ATOM 734 CG ASP A 45 13.871 -5.215 -12.613 1.00 0.00 C ATOM 735 OD1 ASP A 45 14.562 -6.231 -12.387 1.00 0.00 O ATOM 736 OD2 ASP A 45 14.036 -4.484 -13.612 1.00 0.00 O ATOM 0 H ASP A 45 11.650 -4.764 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 45 14.336 -4.313 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.322 -5.764 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.996 -4.295 -12.140 1.00 0.00 H new ATOM 741 N LEU A 46 12.101 -1.923 -10.761 1.00 0.00 N ATOM 742 CA LEU A 46 11.994 -0.504 -11.102 1.00 0.00 C ATOM 743 C LEU A 46 12.686 0.361 -10.058 1.00 0.00 C ATOM 744 O LEU A 46 12.586 0.112 -8.856 1.00 0.00 O ATOM 745 CB LEU A 46 10.537 -0.049 -11.259 1.00 0.00 C ATOM 746 CG LEU A 46 9.519 -0.710 -10.328 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.175 0.218 -9.178 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.262 -1.083 -11.096 1.00 0.00 C ATOM 0 H LEU A 46 11.227 -2.368 -10.481 1.00 0.00 H new ATOM 0 HA LEU A 46 12.491 -0.380 -12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.496 1.029 -11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.230 -0.233 -12.288 1.00 0.00 H new ATOM 0 HG LEU A 46 9.962 -1.620 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.450 -0.266 -8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.078 0.446 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.750 1.142 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.548 -1.552 -10.419 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.818 -0.185 -11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.517 -1.780 -11.895 1.00 0.00 H new ATOM 760 N LYS A 47 13.394 1.376 -10.531 1.00 0.00 N ATOM 761 CA LYS A 47 14.101 2.292 -9.649 1.00 0.00 C ATOM 762 C LYS A 47 13.366 3.623 -9.576 1.00 0.00 C ATOM 763 O LYS A 47 13.871 4.596 -9.017 1.00 0.00 O ATOM 764 CB LYS A 47 15.530 2.509 -10.142 1.00 0.00 C ATOM 765 CG LYS A 47 16.459 1.348 -9.833 1.00 0.00 C ATOM 766 CD LYS A 47 17.874 1.632 -10.306 1.00 0.00 C ATOM 767 CE LYS A 47 18.807 0.467 -10.016 1.00 0.00 C ATOM 768 NZ LYS A 47 20.195 0.740 -10.482 1.00 0.00 N ATOM 0 H LYS A 47 13.494 1.586 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 47 14.138 1.854 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.513 2.674 -11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.930 3.415 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.463 1.159 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.087 0.444 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.866 1.834 -11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.249 2.530 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.816 0.267 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.430 -0.431 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.801 -0.077 -10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.190 0.906 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.565 1.582 -9.997 1.00 0.00 H new ATOM 782 N THR A 48 12.167 3.653 -10.149 1.00 0.00 N ATOM 783 CA THR A 48 11.349 4.857 -10.158 1.00 0.00 C ATOM 784 C THR A 48 10.526 4.961 -8.875 1.00 0.00 C ATOM 785 O THR A 48 9.717 4.086 -8.580 1.00 0.00 O ATOM 786 CB THR A 48 10.420 4.869 -11.385 1.00 0.00 C ATOM 787 OG1 THR A 48 10.009 3.532 -11.695 1.00 0.00 O ATOM 788 CG2 THR A 48 11.134 5.466 -12.588 1.00 0.00 C ATOM 0 H THR A 48 11.740 2.852 -10.615 1.00 0.00 H new ATOM 0 HA THR A 48 12.014 5.718 -10.214 1.00 0.00 H new ATOM 0 HB THR A 48 9.547 5.478 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.416 3.545 -12.476 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.462 5.467 -13.446 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.435 6.489 -12.362 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.017 4.871 -12.819 1.00 0.00 H new ATOM 796 N PRO A 49 10.718 6.048 -8.108 1.00 0.00 N ATOM 797 CA PRO A 49 10.022 6.268 -6.826 1.00 0.00 C ATOM 798 C PRO A 49 8.507 6.402 -6.969 1.00 0.00 C ATOM 799 O PRO A 49 7.756 5.893 -6.135 1.00 0.00 O ATOM 800 CB PRO A 49 10.635 7.575 -6.305 1.00 0.00 C ATOM 801 CG PRO A 49 11.182 8.254 -7.511 1.00 0.00 C ATOM 802 CD PRO A 49 11.618 7.164 -8.444 1.00 0.00 C ATOM 0 HA PRO A 49 10.152 5.418 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.885 8.193 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.419 7.379 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.427 8.887 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.020 8.899 -7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.515 7.463 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.664 6.897 -8.290 1.00 0.00 H new ATOM 810 N GLU A 50 8.066 7.087 -8.021 1.00 0.00 N ATOM 811 CA GLU A 50 6.639 7.277 -8.271 1.00 0.00 C ATOM 812 C GLU A 50 5.962 5.945 -8.586 1.00 0.00 C ATOM 813 O GLU A 50 4.829 5.703 -8.174 1.00 0.00 O ATOM 814 CB GLU A 50 6.431 8.249 -9.433 1.00 0.00 C ATOM 815 CG GLU A 50 6.702 9.702 -9.079 1.00 0.00 C ATOM 816 CD GLU A 50 6.477 10.632 -10.253 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.337 11.118 -10.415 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.437 10.871 -11.014 1.00 0.00 O ATOM 0 H GLU A 50 8.676 7.520 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 50 6.189 7.693 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.083 7.959 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.405 8.158 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.055 9.999 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.730 9.803 -8.730 1.00 0.00 H new ATOM 825 N GLU A 51 6.675 5.082 -9.309 1.00 0.00 N ATOM 826 CA GLU A 51 6.153 3.773 -9.688 1.00 0.00 C ATOM 827 C GLU A 51 6.106 2.824 -8.488 1.00 0.00 C ATOM 828 O GLU A 51 5.225 1.969 -8.407 1.00 0.00 O ATOM 829 CB GLU A 51 7.006 3.167 -10.805 1.00 0.00 C ATOM 830 CG GLU A 51 6.259 2.180 -11.685 1.00 0.00 C ATOM 831 CD GLU A 51 6.836 2.091 -13.085 1.00 0.00 C ATOM 832 OE1 GLU A 51 8.000 1.660 -13.223 1.00 0.00 O ATOM 833 OE2 GLU A 51 6.123 2.450 -14.045 1.00 0.00 O ATOM 0 H GLU A 51 7.620 5.269 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 51 5.134 3.910 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.395 3.972 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.865 2.664 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.286 1.194 -11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.211 2.475 -11.746 1.00 0.00 H new ATOM 840 N GLN A 52 7.063 2.973 -7.568 1.00 0.00 N ATOM 841 CA GLN A 52 7.124 2.135 -6.367 1.00 0.00 C ATOM 842 C GLN A 52 5.872 2.310 -5.514 1.00 0.00 C ATOM 843 O GLN A 52 5.232 1.330 -5.126 1.00 0.00 O ATOM 844 CB GLN A 52 8.365 2.479 -5.537 1.00 0.00 C ATOM 845 CG GLN A 52 9.670 2.180 -6.250 1.00 0.00 C ATOM 846 CD GLN A 52 10.621 1.349 -5.418 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.200 1.830 -4.446 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.790 0.091 -5.800 1.00 0.00 N ATOM 0 H GLN A 52 7.807 3.667 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 52 7.184 1.095 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.336 3.537 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.334 1.919 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.457 1.655 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.155 3.119 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.289 -0.267 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.421 -0.519 -5.281 1.00 0.00 H new ATOM 857 N ALA A 53 5.528 3.565 -5.235 1.00 0.00 N ATOM 858 CA ALA A 53 4.355 3.885 -4.430 1.00 0.00 C ATOM 859 C ALA A 53 3.073 3.454 -5.135 1.00 0.00 C ATOM 860 O ALA A 53 2.126 3.012 -4.487 1.00 0.00 O ATOM 861 CB ALA A 53 4.318 5.374 -4.114 1.00 0.00 C ATOM 0 H ALA A 53 6.049 4.380 -5.557 1.00 0.00 H new ATOM 0 HA ALA A 53 4.425 3.332 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.437 5.597 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.215 5.651 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.276 5.942 -5.043 1.00 0.00 H new ATOM 867 N LYS A 54 3.060 3.572 -6.466 1.00 0.00 N ATOM 868 CA LYS A 54 1.898 3.190 -7.272 1.00 0.00 C ATOM 869 C LYS A 54 1.698 1.677 -7.276 1.00 0.00 C ATOM 870 O LYS A 54 0.569 1.197 -7.357 1.00 0.00 O ATOM 871 CB LYS A 54 2.064 3.691 -8.706 1.00 0.00 C ATOM 872 CG LYS A 54 1.746 5.166 -8.878 1.00 0.00 C ATOM 873 CD LYS A 54 2.058 5.640 -10.290 1.00 0.00 C ATOM 874 CE LYS A 54 1.861 7.142 -10.435 1.00 0.00 C ATOM 875 NZ LYS A 54 2.170 7.610 -11.816 1.00 0.00 N ATOM 0 H LYS A 54 3.845 3.931 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 54 1.017 3.650 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.089 3.509 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.416 3.110 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.693 5.341 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.322 5.750 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.087 5.382 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.416 5.118 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.832 7.399 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.501 7.663 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.024 8.638 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.160 7.387 -12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.542 7.132 -12.493 1.00 0.00 H new ATOM 889 N LYS A 55 2.798 0.932 -7.198 1.00 0.00 N ATOM 890 CA LYS A 55 2.737 -0.526 -7.181 1.00 0.00 C ATOM 891 C LYS A 55 2.115 -1.015 -5.884 1.00 0.00 C ATOM 892 O LYS A 55 1.378 -1.993 -5.877 1.00 0.00 O ATOM 893 CB LYS A 55 4.132 -1.130 -7.366 1.00 0.00 C ATOM 894 CG LYS A 55 4.304 -1.860 -8.691 1.00 0.00 C ATOM 895 CD LYS A 55 4.445 -0.880 -9.844 1.00 0.00 C ATOM 896 CE LYS A 55 4.415 -1.583 -11.191 1.00 0.00 C ATOM 897 NZ LYS A 55 4.536 -0.616 -12.317 1.00 0.00 N ATOM 0 H LYS A 55 3.742 1.315 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 55 2.111 -0.852 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.876 -0.336 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.331 -1.824 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.185 -2.500 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.446 -2.510 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.639 -0.147 -9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.381 -0.331 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.229 -2.306 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.485 -2.142 -11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.119 -1.029 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.033 0.262 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.540 -0.405 -12.487 1.00 0.00 H new ATOM 911 N LEU A 56 2.394 -0.308 -4.794 1.00 0.00 N ATOM 912 CA LEU A 56 1.860 -0.680 -3.490 1.00 0.00 C ATOM 913 C LEU A 56 0.356 -0.466 -3.412 1.00 0.00 C ATOM 914 O LEU A 56 -0.371 -1.357 -2.979 1.00 0.00 O ATOM 915 CB LEU A 56 2.548 0.106 -2.387 1.00 0.00 C ATOM 916 CG LEU A 56 2.561 -0.586 -1.025 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.836 -1.393 -0.853 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.409 0.431 0.095 1.00 0.00 C ATOM 0 H LEU A 56 2.985 0.523 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 56 2.057 -1.743 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.576 0.305 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.053 1.072 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 56 1.714 -1.270 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.830 -1.880 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.896 -2.149 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.698 -0.730 -0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.421 -0.082 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.233 1.143 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.464 0.962 -0.021 1.00 0.00 H new ATOM 930 N ILE A 57 -0.113 0.715 -3.825 1.00 0.00 N ATOM 931 CA ILE A 57 -1.545 1.009 -3.798 1.00 0.00 C ATOM 932 C ILE A 57 -2.297 0.079 -4.731 1.00 0.00 C ATOM 933 O ILE A 57 -3.470 -0.222 -4.518 1.00 0.00 O ATOM 934 CB ILE A 57 -1.875 2.460 -4.203 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.812 3.041 -5.127 1.00 0.00 C ATOM 936 CG2 ILE A 57 -2.042 3.320 -2.970 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.370 4.010 -6.146 1.00 0.00 C ATOM 0 H ILE A 57 0.471 1.473 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.856 0.863 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.814 2.449 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.058 3.550 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.309 2.226 -5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.275 4.342 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.854 2.926 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.117 3.312 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.561 4.386 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.104 3.499 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.849 4.843 -5.632 1.00 0.00 H new ATOM 949 N ASP A 58 -1.600 -0.377 -5.761 1.00 0.00 N ATOM 950 CA ASP A 58 -2.186 -1.270 -6.734 1.00 0.00 C ATOM 951 C ASP A 58 -2.228 -2.700 -6.203 1.00 0.00 C ATOM 952 O ASP A 58 -3.003 -3.519 -6.682 1.00 0.00 O ATOM 953 CB ASP A 58 -1.398 -1.221 -8.047 1.00 0.00 C ATOM 954 CG ASP A 58 -2.066 -0.353 -9.094 1.00 0.00 C ATOM 955 OD1 ASP A 58 -1.938 0.885 -9.010 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.719 -0.913 -9.999 1.00 0.00 O ATOM 0 H ASP A 58 -0.624 -0.139 -5.940 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.208 -0.941 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.395 -0.841 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.285 -2.233 -8.437 1.00 0.00 H new ATOM 961 N PHE A 59 -1.398 -2.999 -5.205 1.00 0.00 N ATOM 962 CA PHE A 59 -1.363 -4.344 -4.636 1.00 0.00 C ATOM 963 C PHE A 59 -2.318 -4.488 -3.452 1.00 0.00 C ATOM 964 O PHE A 59 -2.659 -5.601 -3.061 1.00 0.00 O ATOM 965 CB PHE A 59 0.064 -4.720 -4.221 1.00 0.00 C ATOM 966 CG PHE A 59 0.897 -5.225 -5.366 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.377 -6.140 -6.267 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.196 -4.773 -5.550 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.132 -6.594 -7.330 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.955 -5.221 -6.615 1.00 0.00 C ATOM 971 CZ PHE A 59 2.421 -6.133 -7.505 1.00 0.00 C ATOM 0 H PHE A 59 -0.749 -2.338 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.697 -5.032 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.550 -3.849 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.021 -5.485 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.632 -6.503 -6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.619 -4.064 -4.854 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.714 -7.309 -8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.963 -4.859 -6.751 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.012 -6.485 -8.337 1.00 0.00 H new ATOM 981 N ILE A 60 -2.753 -3.368 -2.883 1.00 0.00 N ATOM 982 CA ILE A 60 -3.673 -3.404 -1.748 1.00 0.00 C ATOM 983 C ILE A 60 -5.123 -3.163 -2.176 1.00 0.00 C ATOM 984 O ILE A 60 -6.050 -3.715 -1.586 1.00 0.00 O ATOM 985 CB ILE A 60 -3.290 -2.375 -0.655 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.041 -0.992 -1.260 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.062 -2.839 0.110 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.165 -0.010 -1.010 1.00 0.00 C ATOM 0 H ILE A 60 -2.487 -2.431 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.589 -4.408 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.129 -2.299 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.117 -0.586 -0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.893 -1.096 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.809 -2.103 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.270 -3.798 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.225 -2.950 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.919 0.948 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.087 -0.394 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.299 0.124 0.063 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.313 -2.347 -3.211 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.655 -2.022 -3.687 1.00 0.00 C ATOM 1002 C LEU A 61 -7.191 -3.060 -4.671 1.00 0.00 C ATOM 1003 O LEU A 61 -8.370 -3.029 -5.029 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.667 -0.640 -4.343 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.963 0.146 -4.154 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.026 0.742 -2.756 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.082 1.237 -5.206 1.00 0.00 C ATOM 0 H LEU A 61 -4.559 -1.901 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.309 -2.023 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.841 -0.054 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.482 -0.758 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.802 -0.539 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.956 1.298 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.987 -0.058 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.180 1.414 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.011 1.787 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.238 1.921 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.083 0.787 -6.199 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.337 -3.983 -5.101 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.754 -5.006 -6.057 1.00 0.00 C ATOM 1021 C LYS A 62 -7.053 -6.339 -5.383 1.00 0.00 C ATOM 1022 O LYS A 62 -7.787 -7.161 -5.929 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.680 -5.203 -7.120 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.745 -4.179 -8.235 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.676 -4.436 -9.281 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.657 -3.344 -10.335 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.543 -3.527 -11.304 1.00 0.00 N ATOM 0 H LYS A 62 -5.362 -4.045 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.675 -4.653 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.699 -5.154 -6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.780 -6.201 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.729 -4.209 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.619 -3.179 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.700 -4.495 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.855 -5.400 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.607 -3.340 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.560 -2.373 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.872 -2.738 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.053 -4.423 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.924 -3.549 -12.271 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.485 -6.559 -4.203 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.699 -7.807 -3.489 1.00 0.00 C ATOM 1043 C LEU A 63 -7.910 -7.723 -2.566 1.00 0.00 C ATOM 1044 O LEU A 63 -8.495 -6.656 -2.378 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.450 -8.191 -2.700 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.335 -8.823 -3.536 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -2.996 -8.684 -2.836 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.640 -10.288 -3.816 1.00 0.00 C ATOM 0 H LEU A 63 -5.877 -5.893 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.900 -8.583 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.058 -7.300 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.735 -8.888 -1.912 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.281 -8.294 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.217 -9.140 -3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.770 -7.628 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.038 -9.184 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.836 -10.720 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.724 -10.829 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.579 -10.366 -4.364 1.00 0.00 H new ATOM 1060 N SER A 64 -8.274 -8.865 -1.994 1.00 0.00 N ATOM 1061 CA SER A 64 -9.419 -8.957 -1.099 1.00 0.00 C ATOM 1062 C SER A 64 -9.110 -8.371 0.282 1.00 0.00 C ATOM 1063 O SER A 64 -7.947 -8.203 0.649 1.00 0.00 O ATOM 1064 CB SER A 64 -9.845 -10.422 -0.975 1.00 0.00 C ATOM 1065 OG SER A 64 -10.210 -10.954 -2.237 1.00 0.00 O ATOM 0 H SER A 64 -7.786 -9.749 -2.137 1.00 0.00 H new ATOM 0 HA SER A 64 -10.234 -8.370 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.028 -11.007 -0.552 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.685 -10.503 -0.286 1.00 0.00 H new ATOM 0 HG SER A 64 -10.477 -11.891 -2.132 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.166 -8.041 1.059 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.027 -7.475 2.412 1.00 0.00 C ATOM 1073 C PRO A 65 -9.186 -8.342 3.357 1.00 0.00 C ATOM 1074 O PRO A 65 -8.585 -7.829 4.298 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.472 -7.387 2.911 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.303 -7.337 1.679 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.583 -8.170 0.665 1.00 0.00 C ATOM 0 HA PRO A 65 -9.503 -6.520 2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.730 -8.249 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.624 -6.500 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.303 -7.728 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.422 -6.312 1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.914 -9.208 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.753 -7.806 -0.348 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.161 -9.653 3.112 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.392 -10.582 3.943 1.00 0.00 C ATOM 1087 C ALA A 66 -6.883 -10.372 3.785 1.00 0.00 C ATOM 1088 O ALA A 66 -6.120 -10.578 4.728 1.00 0.00 O ATOM 1089 CB ALA A 66 -8.771 -12.015 3.600 1.00 0.00 C ATOM 0 H ALA A 66 -9.665 -10.096 2.344 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.638 -10.384 4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.196 -12.702 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.835 -12.164 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.554 -12.207 2.549 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.465 -9.959 2.588 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.051 -9.720 2.298 1.00 0.00 C ATOM 1097 C ASP A 67 -4.563 -8.412 2.924 1.00 0.00 C ATOM 1098 O ASP A 67 -3.479 -8.361 3.507 1.00 0.00 O ATOM 1099 CB ASP A 67 -4.820 -9.684 0.783 1.00 0.00 C ATOM 1100 CG ASP A 67 -3.436 -10.168 0.396 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.486 -9.360 0.457 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -3.302 -11.355 0.028 1.00 0.00 O ATOM 0 H ASP A 67 -7.089 -9.782 1.801 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.481 -10.540 2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.569 -10.303 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.960 -8.665 0.421 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.373 -7.361 2.808 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.017 -6.050 3.354 1.00 0.00 C ATOM 1109 C VAL A 68 -5.098 -6.032 4.878 1.00 0.00 C ATOM 1110 O VAL A 68 -4.368 -5.285 5.524 1.00 0.00 O ATOM 1111 CB VAL A 68 -5.887 -4.906 2.785 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.351 -4.449 1.440 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.346 -5.317 2.666 1.00 0.00 C ATOM 0 H VAL A 68 -6.280 -7.390 2.342 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.986 -5.878 3.045 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.836 -4.072 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.976 -3.643 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.328 -4.091 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.364 -5.285 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.926 -4.487 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.429 -6.176 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.730 -5.584 3.651 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.004 -6.838 5.438 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.202 -6.915 6.890 1.00 0.00 C ATOM 1125 C GLN A 69 -4.883 -7.110 7.644 1.00 0.00 C ATOM 1126 O GLN A 69 -4.636 -6.447 8.650 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.164 -8.057 7.232 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.009 -7.793 8.468 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.179 -6.873 8.186 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.244 -7.318 7.760 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.987 -5.580 8.418 1.00 0.00 N ATOM 0 H GLN A 69 -6.618 -7.452 4.903 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.629 -5.964 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.824 -8.232 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.590 -8.971 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.382 -8.740 8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.384 -7.352 9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.088 -5.253 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.739 -4.913 8.243 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.041 -8.014 7.146 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.752 -8.299 7.774 1.00 0.00 C ATOM 1142 C ALA A 70 -1.758 -7.154 7.565 1.00 0.00 C ATOM 1143 O ALA A 70 -0.897 -6.909 8.411 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.189 -9.603 7.227 1.00 0.00 C ATOM 0 H ALA A 70 -4.229 -8.563 6.307 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.912 -8.399 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.228 -9.811 7.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.882 -10.417 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.053 -9.517 6.149 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.889 -6.457 6.435 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.009 -5.335 6.101 1.00 0.00 C ATOM 1152 C ARG A 71 -1.331 -4.106 6.947 1.00 0.00 C ATOM 1153 O ARG A 71 -0.459 -3.281 7.215 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.144 -4.985 4.621 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.502 -6.001 3.689 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.664 -5.597 2.232 1.00 0.00 C ATOM 1157 NE ARG A 71 -0.051 -6.561 1.321 1.00 0.00 N ATOM 1158 CZ ARG A 71 0.412 -6.256 0.109 1.00 0.00 C ATOM 1159 NH1 ARG A 71 0.335 -5.015 -0.350 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.961 -7.198 -0.645 1.00 0.00 N ATOM 0 H ARG A 71 -2.601 -6.651 5.731 1.00 0.00 H new ATOM 0 HA ARG A 71 0.015 -5.640 6.314 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.202 -4.896 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.692 -4.009 4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.558 -6.096 3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.953 -6.980 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.725 -5.503 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.215 -4.616 2.077 1.00 0.00 H new ATOM 0 HE ARG A 71 0.028 -7.529 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.081 -4.283 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.692 -4.792 -1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.029 -8.155 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.316 -6.966 -1.573 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.592 -3.980 7.351 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.021 -2.857 8.176 1.00 0.00 C ATOM 1176 C ILE A 72 -2.540 -3.051 9.614 1.00 0.00 C ATOM 1177 O ILE A 72 -2.237 -2.084 10.319 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.563 -2.692 8.160 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.064 -2.440 6.735 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.001 -1.553 9.071 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.497 -2.874 6.512 1.00 0.00 C ATOM 0 H ILE A 72 -3.333 -4.642 7.120 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.580 -1.952 7.759 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.000 -3.619 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.976 -1.377 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.419 -2.969 6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.087 -1.460 9.041 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.683 -1.761 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.547 -0.621 8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.784 -2.665 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.588 -3.943 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.153 -2.326 7.189 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.453 -4.316 10.031 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.011 -4.667 11.379 1.00 0.00 C ATOM 1195 C ASN A 73 -0.527 -4.365 11.576 1.00 0.00 C ATOM 1196 O ASN A 73 -0.123 -3.888 12.637 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.273 -6.150 11.656 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.625 -6.394 12.297 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.787 -6.244 13.507 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.605 -6.770 11.485 1.00 0.00 N ATOM 0 H ASN A 73 -2.685 -5.119 9.447 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.582 -4.059 12.081 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.213 -6.707 10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.491 -6.538 12.308 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.537 -6.947 11.859 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.426 -6.882 10.487 1.00 0.00 H new ATOM 1207 N VAL A 74 0.283 -4.647 10.554 1.00 0.00 N ATOM 1208 CA VAL A 74 1.721 -4.399 10.630 1.00 0.00 C ATOM 1209 C VAL A 74 2.022 -2.900 10.570 1.00 0.00 C ATOM 1210 O VAL A 74 2.941 -2.421 11.230 1.00 0.00 O ATOM 1211 CB VAL A 74 2.509 -5.152 9.524 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.199 -4.601 8.140 1.00 0.00 C ATOM 1213 CG2 VAL A 74 4.005 -5.095 9.795 1.00 0.00 C ATOM 0 H VAL A 74 -0.031 -5.045 9.669 1.00 0.00 H new ATOM 0 HA VAL A 74 2.056 -4.788 11.592 1.00 0.00 H new ATOM 0 HB VAL A 74 2.189 -6.194 9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.769 -5.153 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.134 -4.708 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.472 -3.547 8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.538 -5.629 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.332 -4.055 9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.218 -5.560 10.757 1.00 0.00 H new ATOM 1223 N LEU A 75 1.230 -2.170 9.785 1.00 0.00 N ATOM 1224 CA LEU A 75 1.403 -0.728 9.621 1.00 0.00 C ATOM 1225 C LEU A 75 1.241 0.021 10.942 1.00 0.00 C ATOM 1226 O LEU A 75 2.010 0.932 11.239 1.00 0.00 O ATOM 1227 CB LEU A 75 0.398 -0.200 8.594 1.00 0.00 C ATOM 1228 CG LEU A 75 0.894 0.969 7.746 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.045 0.534 6.858 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.237 1.537 6.906 1.00 0.00 C ATOM 0 H LEU A 75 0.455 -2.559 9.248 1.00 0.00 H new ATOM 0 HA LEU A 75 2.419 -0.554 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.117 -1.017 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.506 0.109 9.119 1.00 0.00 H new ATOM 0 HG LEU A 75 1.252 1.750 8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.385 1.381 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.866 0.174 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.712 -0.266 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.136 2.369 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.625 0.761 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.035 1.889 7.560 1.00 0.00 H new ATOM 1242 N ARG A 76 0.252 -0.380 11.736 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.016 0.268 13.018 1.00 0.00 C ATOM 1244 C ARG A 76 1.072 -0.019 14.055 1.00 0.00 C ATOM 1245 O ARG A 76 1.437 0.858 14.839 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.373 -0.192 13.558 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.555 0.329 12.756 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.127 1.600 13.360 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.285 2.087 12.612 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.063 3.087 13.021 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.811 3.702 14.168 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.097 3.470 12.282 1.00 0.00 N ATOM 0 H ARG A 76 -0.378 -1.151 11.515 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.025 1.344 12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.401 -1.282 13.565 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.473 0.136 14.592 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.242 0.523 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.331 -0.435 12.714 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.416 1.412 14.394 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.357 2.371 13.379 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.510 1.635 11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.019 3.409 14.740 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.409 4.468 14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.296 2.998 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.692 4.236 12.596 1.00 0.00 H new ATOM 1266 N ALA A 77 1.597 -1.240 14.049 1.00 0.00 N ATOM 1267 CA ALA A 77 2.616 -1.634 15.018 1.00 0.00 C ATOM 1268 C ALA A 77 4.037 -1.282 14.572 1.00 0.00 C ATOM 1269 O ALA A 77 4.970 -1.358 15.370 1.00 0.00 O ATOM 1270 CB ALA A 77 2.508 -3.124 15.302 1.00 0.00 C ATOM 0 H ALA A 77 1.336 -1.971 13.388 1.00 0.00 H new ATOM 0 HA ALA A 77 2.427 -1.065 15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.270 -3.413 16.025 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.521 -3.347 15.707 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.655 -3.682 14.377 1.00 0.00 H new ATOM 1276 N HIS A 78 4.207 -0.892 13.310 1.00 0.00 N ATOM 1277 CA HIS A 78 5.534 -0.548 12.801 1.00 0.00 C ATOM 1278 C HIS A 78 5.823 0.950 12.912 1.00 0.00 C ATOM 1279 O HIS A 78 6.953 1.385 12.683 1.00 0.00 O ATOM 1280 CB HIS A 78 5.698 -1.010 11.352 1.00 0.00 C ATOM 1281 CG HIS A 78 6.942 -1.814 11.134 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.089 -3.114 11.575 1.00 0.00 N ATOM 1283 CD2 HIS A 78 8.116 -1.485 10.547 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.300 -3.546 11.270 1.00 0.00 C ATOM 1285 NE2 HIS A 78 8.941 -2.577 10.648 1.00 0.00 N ATOM 0 H HIS A 78 3.453 -0.807 12.628 1.00 0.00 H new ATOM 0 HA HIS A 78 6.258 -1.072 13.425 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.831 -1.606 11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.716 -0.138 10.698 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.374 -3.656 12.060 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.359 -0.539 10.085 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.697 -4.526 11.492 1.00 0.00 H new ATOM 1294 N GLY A 79 4.808 1.736 13.262 1.00 0.00 N ATOM 1295 CA GLY A 79 5.003 3.172 13.404 1.00 0.00 C ATOM 1296 C GLY A 79 4.316 3.981 12.320 1.00 0.00 C ATOM 1297 O GLY A 79 4.366 5.210 12.338 1.00 0.00 O ATOM 0 H GLY A 79 3.860 1.409 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.627 3.488 14.377 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.071 3.390 13.389 1.00 0.00 H new ATOM 1301 N TYR A 80 3.672 3.296 11.381 1.00 0.00 N ATOM 1302 CA TYR A 80 2.974 3.964 10.285 1.00 0.00 C ATOM 1303 C TYR A 80 1.467 3.998 10.554 1.00 0.00 C ATOM 1304 O TYR A 80 0.652 3.686 9.687 1.00 0.00 O ATOM 1305 CB TYR A 80 3.288 3.257 8.960 1.00 0.00 C ATOM 1306 CG TYR A 80 4.747 3.346 8.564 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.675 2.434 9.053 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.196 4.340 7.704 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.007 2.514 8.699 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.528 4.426 7.346 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.427 3.510 7.846 1.00 0.00 C ATOM 1312 OH TYR A 80 8.752 3.589 7.495 1.00 0.00 O ATOM 0 H TYR A 80 3.618 2.278 11.356 1.00 0.00 H new ATOM 0 HA TYR A 80 3.321 4.995 10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.004 2.208 9.040 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.677 3.693 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.349 1.650 9.721 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.492 5.058 7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.716 1.799 9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.862 5.206 6.678 1.00 0.00 H new ATOM 0 HH TYR A 80 8.863 4.257 6.786 1.00 0.00 H new ATOM 1322 N GLN A 81 1.128 4.387 11.782 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.260 4.480 12.246 1.00 0.00 C ATOM 1324 C GLN A 81 -1.076 5.503 11.454 1.00 0.00 C ATOM 1325 O GLN A 81 -2.235 5.252 11.124 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.285 4.851 13.730 1.00 0.00 C ATOM 1327 CG GLN A 81 0.205 3.744 14.648 1.00 0.00 C ATOM 1328 CD GLN A 81 0.266 4.175 16.100 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -0.713 4.059 16.835 1.00 0.00 O ATOM 1330 NE2 GLN A 81 1.421 4.677 16.521 1.00 0.00 N ATOM 0 H GLN A 81 1.813 4.649 12.491 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.717 3.503 12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.331 5.737 13.884 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.304 5.119 14.011 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.456 2.882 14.556 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.196 3.422 14.326 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.208 4.755 15.877 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.521 4.984 17.488 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.469 6.659 11.163 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.141 7.723 10.411 1.00 0.00 C ATOM 1341 C ALA A 82 -1.536 7.248 9.016 1.00 0.00 C ATOM 1342 O ALA A 82 -2.556 7.667 8.467 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.238 8.946 10.316 1.00 0.00 C ATOM 0 H ALA A 82 0.488 6.881 11.438 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.053 7.992 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.746 9.731 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.008 9.307 11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.687 8.677 9.806 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.713 6.369 8.459 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.947 5.809 7.136 1.00 0.00 C ATOM 1351 C LEU A 83 -2.079 4.787 7.176 1.00 0.00 C ATOM 1352 O LEU A 83 -2.894 4.706 6.255 1.00 0.00 O ATOM 1353 CB LEU A 83 0.338 5.141 6.628 1.00 0.00 C ATOM 1354 CG LEU A 83 1.328 6.061 5.902 1.00 0.00 C ATOM 1355 CD1 LEU A 83 0.650 6.782 4.749 1.00 0.00 C ATOM 1356 CD2 LEU A 83 1.941 7.061 6.870 1.00 0.00 C ATOM 0 H LEU A 83 0.134 6.025 8.911 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.233 6.615 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.849 4.687 7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.061 4.331 5.953 1.00 0.00 H new ATOM 0 HG LEU A 83 2.128 5.443 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.372 7.428 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.265 6.051 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.174 7.385 5.131 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.640 7.704 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.152 7.671 7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.471 6.526 7.659 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.122 4.025 8.266 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.121 2.978 8.455 1.00 0.00 C ATOM 1370 C ALA A 84 -4.524 3.533 8.697 1.00 0.00 C ATOM 1371 O ALA A 84 -5.508 2.820 8.523 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.698 2.076 9.603 1.00 0.00 C ATOM 0 H ALA A 84 -1.466 4.116 9.042 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.174 2.403 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.444 1.294 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.734 1.621 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.612 2.665 10.516 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.616 4.797 9.101 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.912 5.423 9.359 1.00 0.00 C ATOM 1380 C ASP A 85 -6.535 5.969 8.075 1.00 0.00 C ATOM 1381 O ASP A 85 -7.758 6.058 7.957 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.763 6.552 10.381 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.039 6.796 11.164 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.257 6.097 12.176 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.821 7.685 10.764 1.00 0.00 O ATOM 0 H ASP A 85 -3.813 5.407 9.257 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.574 4.656 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.957 6.308 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.475 7.469 9.866 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.684 6.324 7.115 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.146 6.879 5.846 1.00 0.00 C ATOM 1392 C LYS A 86 -6.678 5.802 4.900 1.00 0.00 C ATOM 1393 O LYS A 86 -7.781 5.930 4.374 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.015 7.661 5.171 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.683 8.971 5.873 1.00 0.00 C ATOM 1396 CD LYS A 86 -5.545 10.114 5.356 1.00 0.00 C ATOM 1397 CE LYS A 86 -5.200 11.433 6.035 1.00 0.00 C ATOM 1398 NZ LYS A 86 -6.037 12.555 5.525 1.00 0.00 N ATOM 0 H LYS A 86 -4.671 6.237 7.192 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.974 7.552 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.121 7.038 5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.294 7.871 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.832 8.858 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.630 9.210 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.410 10.213 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.596 9.882 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.341 11.335 7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.147 11.662 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.772 13.435 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.884 12.665 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.040 12.349 5.705 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.904 4.734 4.698 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.310 3.659 3.788 1.00 0.00 C ATOM 1414 C LEU A 87 -7.455 2.814 4.350 1.00 0.00 C ATOM 1415 O LEU A 87 -8.209 2.214 3.588 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.116 2.759 3.430 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.273 2.260 4.609 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.720 0.873 5.042 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.800 2.244 4.232 1.00 0.00 C ATOM 0 H LEU A 87 -5.000 4.590 5.148 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.676 4.144 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.490 1.893 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.464 3.307 2.750 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.416 2.943 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.108 0.539 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.766 0.907 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.607 0.178 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.212 1.888 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.650 1.581 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.481 3.252 3.967 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.581 2.763 5.675 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.632 1.972 6.318 1.00 0.00 C ATOM 1433 C ASN A 88 -10.017 2.573 6.099 1.00 0.00 C ATOM 1434 O ASN A 88 -10.992 1.847 5.906 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.362 1.849 7.818 1.00 0.00 C ATOM 1436 CG ASN A 88 -8.946 0.581 8.409 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.069 0.576 8.912 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.184 -0.501 8.353 1.00 0.00 N ATOM 0 H ASN A 88 -6.970 3.259 6.324 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.616 0.984 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.286 1.866 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.783 2.713 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.523 -1.384 8.736 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.259 -0.452 7.927 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.098 3.899 6.119 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.371 4.588 5.949 1.00 0.00 C ATOM 1447 C LYS A 89 -11.866 4.531 4.506 1.00 0.00 C ATOM 1448 O LYS A 89 -13.049 4.294 4.263 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.252 6.040 6.405 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.543 6.598 6.976 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.371 8.029 7.456 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.681 8.592 7.976 1.00 0.00 C ATOM 1453 NZ LYS A 89 -13.524 9.980 8.489 1.00 0.00 N ATOM 0 H LYS A 89 -9.298 4.517 6.251 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.104 4.072 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.468 6.114 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.941 6.655 5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.324 6.560 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.875 5.973 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.619 8.064 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.005 8.649 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.423 8.582 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.061 7.952 8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.441 10.328 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.835 9.986 9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.186 10.597 7.723 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.961 4.750 3.554 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.317 4.718 2.135 1.00 0.00 C ATOM 1469 C TYR A 90 -11.662 3.301 1.693 1.00 0.00 C ATOM 1470 O TYR A 90 -12.423 3.098 0.746 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.168 5.266 1.289 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.082 6.771 1.304 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.843 7.540 0.435 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.246 7.425 2.199 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.769 8.919 0.455 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -9.169 8.800 2.226 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.932 9.543 1.356 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.854 10.913 1.386 1.00 0.00 O ATOM 0 H TYR A 90 -9.978 4.951 3.738 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.196 5.346 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.228 4.852 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.289 4.926 0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.503 7.053 -0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.646 6.846 2.885 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.363 9.505 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.512 9.293 2.928 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.522 11.292 0.777 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.091 2.330 2.391 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.317 0.923 2.100 1.00 0.00 C ATOM 1490 C LEU A 91 -12.760 0.514 2.405 1.00 0.00 C ATOM 1491 O LEU A 91 -13.363 -0.261 1.663 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.346 0.081 2.922 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.590 -1.422 2.891 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.660 -2.088 1.889 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.398 -2.002 4.283 1.00 0.00 C ATOM 0 H LEU A 91 -10.459 2.496 3.174 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.146 0.755 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.334 0.274 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.389 0.417 3.958 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.615 -1.613 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.846 -3.162 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.842 -1.678 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.625 -1.902 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.574 -3.077 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.380 -1.809 4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.103 -1.536 4.972 1.00 0.00 H new ATOM 1507 N THR A 92 -13.308 1.042 3.498 1.00 0.00 N ATOM 1508 CA THR A 92 -14.677 0.728 3.897 1.00 0.00 C ATOM 1509 C THR A 92 -15.650 1.841 3.508 1.00 0.00 C ATOM 1510 O THR A 92 -16.783 1.880 3.994 1.00 0.00 O ATOM 1511 CB THR A 92 -14.786 0.466 5.413 1.00 0.00 C ATOM 1512 OG1 THR A 92 -13.572 -0.118 5.902 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.959 -0.462 5.711 1.00 0.00 C ATOM 0 H THR A 92 -12.825 1.688 4.122 1.00 0.00 H new ATOM 0 HA THR A 92 -14.948 -0.182 3.361 1.00 0.00 H new ATOM 0 HB THR A 92 -14.953 1.419 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.876 0.570 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.021 -0.636 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.884 -0.002 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.811 -1.412 5.197 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.200 2.748 2.641 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.033 3.860 2.185 1.00 0.00 C ATOM 1523 C LEU A 93 -17.374 3.357 1.658 1.00 0.00 C ATOM 1524 O LEU A 93 -18.423 3.916 1.975 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.322 4.658 1.092 1.00 0.00 C ATOM 1526 CG LEU A 93 -15.742 6.126 0.991 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -14.985 6.966 2.005 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.510 6.652 -0.416 1.00 0.00 C ATOM 0 H LEU A 93 -14.262 2.734 2.240 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.212 4.510 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.248 4.614 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.506 4.176 0.132 1.00 0.00 H new ATOM 0 HG LEU A 93 -16.807 6.195 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.296 8.007 1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.201 6.604 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.915 6.890 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -15.815 7.697 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.452 6.569 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.097 6.067 -1.124 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.328 2.293 0.859 1.00 0.00 N ATOM 1541 CA GLU A 94 -18.536 1.705 0.298 1.00 0.00 C ATOM 1542 C GLU A 94 -18.459 0.181 0.326 1.00 0.00 C ATOM 1543 O GLU A 94 -17.482 -0.371 -0.223 1.00 0.00 O ATOM 1544 CB GLU A 94 -18.756 2.196 -1.138 1.00 0.00 C ATOM 1545 CG GLU A 94 -19.302 3.614 -1.229 1.00 0.00 C ATOM 1546 CD GLU A 94 -20.798 3.681 -0.993 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -21.210 3.834 0.176 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -21.560 3.581 -1.979 1.00 0.00 O ATOM 0 H GLU A 94 -16.465 1.822 0.587 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.382 2.020 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.810 2.146 -1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -19.446 1.519 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -18.794 4.242 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.075 4.024 -2.213 1.00 0.00 H new TER 1555 GLU A 94