USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 85 SER OG : rot -116:sc= 0.0068 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.0392 USER MOD Set 2.1: A 3 THR OG1 : rot 103:sc= 0.839 USER MOD Set 2.2: A 77 THR OG1 : rot 180:sc= 0.674 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.136 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000755) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.996 (180deg=-2.21!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0201) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.577 USER MOD Single : A 38 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -147:sc= 0.36 USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.918) USER MOD Single : A 47 HIS : no HD1:sc= -0.738 K(o=-0.74,f=-1.9!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.945 USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.834 F(o=-3.3,f=-0.83) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -143:sc= 0.815 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= -0.94 (180deg=-1.47) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.163 F(o=-0.96,f=-0.16) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0262 F(o=-0.79,f=-0.026) USER MOD Single : A 86 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 2.324 -6.044 12.095 1.00 0.00 N ATOM 21 CA LEU A 2 2.972 -6.541 10.887 1.00 0.00 C ATOM 22 C LEU A 2 4.148 -5.654 10.496 1.00 0.00 C ATOM 23 O LEU A 2 4.037 -4.428 10.479 1.00 0.00 O ATOM 24 CB LEU A 2 1.970 -6.614 9.733 1.00 0.00 C ATOM 25 CG LEU A 2 0.929 -5.491 9.705 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.505 -5.189 8.277 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.276 -5.863 10.556 1.00 0.00 C ATOM 0 HA LEU A 2 3.347 -7.543 11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.521 -6.601 8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.449 -7.570 9.784 1.00 0.00 H new ATOM 0 HG LEU A 2 1.381 -4.591 10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.235 -4.389 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.374 -4.878 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.071 -6.083 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.006 -5.055 10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.728 -6.775 10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 0.042 -6.026 11.586 1.00 0.00 H new ATOM 39 N THR A 3 5.279 -6.282 10.180 1.00 0.00 N ATOM 40 CA THR A 3 6.476 -5.548 9.789 1.00 0.00 C ATOM 41 C THR A 3 6.256 -4.814 8.468 1.00 0.00 C ATOM 42 O THR A 3 5.156 -4.821 7.919 1.00 0.00 O ATOM 43 CB THR A 3 7.668 -6.499 9.661 1.00 0.00 C ATOM 44 OG1 THR A 3 7.403 -7.729 10.310 1.00 0.00 O ATOM 45 CG2 THR A 3 8.946 -5.938 10.248 1.00 0.00 C ATOM 0 H THR A 3 5.389 -7.296 10.188 1.00 0.00 H new ATOM 0 HA THR A 3 6.689 -4.813 10.565 1.00 0.00 H new ATOM 0 HB THR A 3 7.809 -6.641 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.190 -8.413 9.641 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.752 -6.662 10.124 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.207 -5.013 9.734 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.801 -5.735 11.309 1.00 0.00 H new ATOM 53 N ILE A 4 7.312 -4.184 7.967 1.00 0.00 N ATOM 54 CA ILE A 4 7.238 -3.447 6.715 1.00 0.00 C ATOM 55 C ILE A 4 8.417 -3.784 5.809 1.00 0.00 C ATOM 56 O ILE A 4 9.569 -3.509 6.145 1.00 0.00 O ATOM 57 CB ILE A 4 7.213 -1.928 6.963 1.00 0.00 C ATOM 58 CG1 ILE A 4 6.136 -1.574 7.989 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.977 -1.184 5.661 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.607 -1.676 9.423 1.00 0.00 C ATOM 0 H ILE A 4 8.230 -4.170 8.411 1.00 0.00 H new ATOM 0 HA ILE A 4 6.311 -3.744 6.225 1.00 0.00 H new ATOM 0 HB ILE A 4 8.181 -1.624 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.788 -0.558 7.801 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.281 -2.235 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.962 -0.111 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.778 -1.416 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.021 -1.490 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.790 -1.410 10.094 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.928 -2.697 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.442 -0.994 9.581 1.00 0.00 H new ATOM 72 N GLU A 5 8.121 -4.381 4.659 1.00 0.00 N ATOM 73 CA GLU A 5 9.156 -4.755 3.702 1.00 0.00 C ATOM 74 C GLU A 5 9.082 -3.881 2.455 1.00 0.00 C ATOM 75 O GLU A 5 8.110 -3.154 2.252 1.00 0.00 O ATOM 76 CB GLU A 5 9.015 -6.231 3.321 1.00 0.00 C ATOM 77 CG GLU A 5 10.038 -7.133 3.992 1.00 0.00 C ATOM 78 CD GLU A 5 11.402 -7.054 3.335 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.460 -6.810 2.111 1.00 0.00 O ATOM 80 OE2 GLU A 5 12.415 -7.238 4.045 1.00 0.00 O ATOM 0 H GLU A 5 7.172 -4.616 4.367 1.00 0.00 H new ATOM 0 HA GLU A 5 10.128 -4.601 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.014 -6.572 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.110 -6.329 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.128 -6.856 5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.684 -8.163 3.963 1.00 0.00 H new ATOM 87 N THR A 6 10.114 -3.958 1.620 1.00 0.00 N ATOM 88 CA THR A 6 10.162 -3.170 0.393 1.00 0.00 C ATOM 89 C THR A 6 10.698 -4.002 -0.767 1.00 0.00 C ATOM 90 O THR A 6 11.531 -4.887 -0.578 1.00 0.00 O ATOM 91 CB THR A 6 11.032 -1.930 0.590 1.00 0.00 C ATOM 92 OG1 THR A 6 12.348 -2.293 0.970 1.00 0.00 O ATOM 93 CG2 THR A 6 10.496 -0.982 1.642 1.00 0.00 C ATOM 0 H THR A 6 10.926 -4.556 1.770 1.00 0.00 H new ATOM 0 HA THR A 6 9.146 -2.857 0.154 1.00 0.00 H new ATOM 0 HB THR A 6 11.026 -1.420 -0.373 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.889 -1.484 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.162 -0.123 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.502 -0.642 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.438 -1.497 2.601 1.00 0.00 H new ATOM 101 N SER A 7 10.214 -3.710 -1.970 1.00 0.00 N ATOM 102 CA SER A 7 10.642 -4.431 -3.163 1.00 0.00 C ATOM 103 C SER A 7 11.578 -3.574 -4.010 1.00 0.00 C ATOM 104 O SER A 7 12.054 -2.529 -3.566 1.00 0.00 O ATOM 105 CB SER A 7 9.428 -4.852 -3.993 1.00 0.00 C ATOM 106 OG SER A 7 9.729 -5.973 -4.804 1.00 0.00 O ATOM 0 H SER A 7 9.525 -2.979 -2.144 1.00 0.00 H new ATOM 0 HA SER A 7 11.183 -5.322 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.596 -5.091 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.107 -4.021 -4.621 1.00 0.00 H new ATOM 0 HG SER A 7 8.936 -6.223 -5.323 1.00 0.00 H new ATOM 112 N LYS A 8 11.840 -4.024 -5.234 1.00 0.00 N ATOM 113 CA LYS A 8 12.718 -3.301 -6.146 1.00 0.00 C ATOM 114 C LYS A 8 12.022 -2.067 -6.710 1.00 0.00 C ATOM 115 O LYS A 8 12.501 -0.944 -6.551 1.00 0.00 O ATOM 116 CB LYS A 8 13.168 -4.213 -7.288 1.00 0.00 C ATOM 117 CG LYS A 8 13.586 -5.601 -6.831 1.00 0.00 C ATOM 118 CD LYS A 8 14.263 -6.375 -7.950 1.00 0.00 C ATOM 119 CE LYS A 8 13.275 -7.265 -8.688 1.00 0.00 C ATOM 120 NZ LYS A 8 13.526 -7.278 -10.156 1.00 0.00 N ATOM 0 H LYS A 8 11.455 -4.888 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 8 13.594 -2.977 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.356 -4.306 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.003 -3.744 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.265 -5.517 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.710 -6.150 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.720 -5.677 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.067 -6.985 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.342 -8.281 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.260 -6.917 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.831 -7.896 -10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.437 -6.312 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.485 -7.635 -10.341 1.00 0.00 H new ATOM 134 N LYS A 9 10.889 -2.283 -7.369 1.00 0.00 N ATOM 135 CA LYS A 9 10.127 -1.189 -7.958 1.00 0.00 C ATOM 136 C LYS A 9 9.715 -0.177 -6.895 1.00 0.00 C ATOM 137 O LYS A 9 9.654 1.025 -7.157 1.00 0.00 O ATOM 138 CB LYS A 9 8.885 -1.731 -8.672 1.00 0.00 C ATOM 139 CG LYS A 9 9.207 -2.627 -9.858 1.00 0.00 C ATOM 140 CD LYS A 9 8.738 -2.012 -11.167 1.00 0.00 C ATOM 141 CE LYS A 9 9.881 -1.333 -11.905 1.00 0.00 C ATOM 142 NZ LYS A 9 9.814 -1.572 -13.373 1.00 0.00 N ATOM 0 H LYS A 9 10.478 -3.206 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 9 10.765 -0.685 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.281 -2.291 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.278 -0.893 -9.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.282 -2.801 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.732 -3.598 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.305 -2.787 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.950 -1.286 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.853 -0.261 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.832 -1.702 -11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.610 -1.093 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.867 -2.593 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.918 -1.197 -13.745 1.00 0.00 H new ATOM 156 N PHE A 10 9.431 -0.670 -5.694 1.00 0.00 N ATOM 157 CA PHE A 10 9.024 0.192 -4.590 1.00 0.00 C ATOM 158 C PHE A 10 10.112 1.210 -4.264 1.00 0.00 C ATOM 159 O PHE A 10 9.821 2.346 -3.890 1.00 0.00 O ATOM 160 CB PHE A 10 8.706 -0.647 -3.351 1.00 0.00 C ATOM 161 CG PHE A 10 8.042 0.131 -2.250 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.017 1.020 -2.533 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.443 -0.028 -0.934 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.404 1.736 -1.522 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.835 0.686 0.080 1.00 0.00 C ATOM 166 CZ PHE A 10 6.814 1.569 -0.214 1.00 0.00 C ATOM 0 H PHE A 10 9.475 -1.662 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 10 8.127 0.731 -4.895 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.059 -1.475 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.630 -1.082 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.694 1.155 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.240 -0.718 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.606 2.425 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.158 0.554 1.102 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.337 2.128 0.578 1.00 0.00 H new ATOM 176 N ASP A 11 11.366 0.795 -4.408 1.00 0.00 N ATOM 177 CA ASP A 11 12.498 1.671 -4.130 1.00 0.00 C ATOM 178 C ASP A 11 12.668 2.707 -5.237 1.00 0.00 C ATOM 179 O ASP A 11 13.052 3.848 -4.980 1.00 0.00 O ATOM 180 CB ASP A 11 13.781 0.851 -3.981 1.00 0.00 C ATOM 181 CG ASP A 11 14.706 1.413 -2.920 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.312 1.431 -1.736 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.829 1.832 -3.273 1.00 0.00 O ATOM 0 H ASP A 11 11.624 -0.143 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 11 12.300 2.194 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.524 -0.178 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.304 0.823 -4.937 1.00 0.00 H new ATOM 188 N LYS A 12 12.377 2.300 -6.468 1.00 0.00 N ATOM 189 CA LYS A 12 12.495 3.193 -7.616 1.00 0.00 C ATOM 190 C LYS A 12 11.262 4.082 -7.749 1.00 0.00 C ATOM 191 O LYS A 12 11.310 5.134 -8.386 1.00 0.00 O ATOM 192 CB LYS A 12 12.692 2.380 -8.898 1.00 0.00 C ATOM 193 CG LYS A 12 14.065 1.735 -9.007 1.00 0.00 C ATOM 194 CD LYS A 12 13.962 0.248 -9.302 1.00 0.00 C ATOM 195 CE LYS A 12 13.244 -0.012 -10.617 1.00 0.00 C ATOM 196 NZ LYS A 12 14.090 0.343 -11.789 1.00 0.00 N ATOM 0 H LYS A 12 12.058 1.359 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 12 13.363 3.833 -7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.930 1.602 -8.945 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.537 3.031 -9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.636 2.224 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.613 1.885 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.961 -0.186 -9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.429 -0.249 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.964 -1.064 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.320 0.566 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.572 0.136 -12.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.322 1.356 -11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.968 -0.214 -11.765 1.00 0.00 H new ATOM 210 N ASP A 13 10.154 3.654 -7.147 1.00 0.00 N ATOM 211 CA ASP A 13 8.912 4.414 -7.202 1.00 0.00 C ATOM 212 C ASP A 13 8.881 5.497 -6.126 1.00 0.00 C ATOM 213 O ASP A 13 8.234 6.530 -6.292 1.00 0.00 O ATOM 214 CB ASP A 13 7.713 3.479 -7.036 1.00 0.00 C ATOM 215 CG ASP A 13 7.164 2.999 -8.364 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.961 2.838 -9.313 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.938 2.784 -8.458 1.00 0.00 O ATOM 0 H ASP A 13 10.093 2.785 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 13 8.857 4.899 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.008 2.618 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.926 3.996 -6.487 1.00 0.00 H new ATOM 222 N LEU A 14 9.579 5.249 -5.022 1.00 0.00 N ATOM 223 CA LEU A 14 9.627 6.203 -3.919 1.00 0.00 C ATOM 224 C LEU A 14 10.689 7.272 -4.161 1.00 0.00 C ATOM 225 O LEU A 14 10.503 8.436 -3.807 1.00 0.00 O ATOM 226 CB LEU A 14 9.904 5.474 -2.600 1.00 0.00 C ATOM 227 CG LEU A 14 8.847 5.679 -1.513 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.622 4.820 -1.791 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.425 5.360 -0.143 1.00 0.00 C ATOM 0 H LEU A 14 10.118 4.397 -4.867 1.00 0.00 H new ATOM 0 HA LEU A 14 8.657 6.696 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.992 4.407 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.868 5.805 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 14 8.541 6.725 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.881 4.979 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.195 5.096 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.911 3.769 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.660 5.511 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.759 4.323 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.271 6.018 0.057 1.00 0.00 H new ATOM 241 N LYS A 15 11.803 6.869 -4.761 1.00 0.00 N ATOM 242 CA LYS A 15 12.895 7.793 -5.047 1.00 0.00 C ATOM 243 C LYS A 15 12.423 8.942 -5.933 1.00 0.00 C ATOM 244 O LYS A 15 12.949 10.053 -5.856 1.00 0.00 O ATOM 245 CB LYS A 15 14.055 7.055 -5.720 1.00 0.00 C ATOM 246 CG LYS A 15 13.704 6.492 -7.088 1.00 0.00 C ATOM 247 CD LYS A 15 14.914 5.864 -7.758 1.00 0.00 C ATOM 248 CE LYS A 15 14.628 5.509 -9.208 1.00 0.00 C ATOM 249 NZ LYS A 15 15.067 6.585 -10.139 1.00 0.00 N ATOM 0 H LYS A 15 11.974 5.909 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 15 13.240 8.209 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.899 7.737 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.381 6.240 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.916 5.746 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.309 7.288 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.756 6.554 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.207 4.966 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.137 4.579 -9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.560 5.332 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.547 6.502 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.874 7.514 -9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.087 6.492 -10.320 1.00 0.00 H new ATOM 263 N ILE A 16 11.431 8.668 -6.773 1.00 0.00 N ATOM 264 CA ILE A 16 10.893 9.681 -7.673 1.00 0.00 C ATOM 265 C ILE A 16 9.853 10.546 -6.968 1.00 0.00 C ATOM 266 O ILE A 16 9.722 11.735 -7.256 1.00 0.00 O ATOM 267 CB ILE A 16 10.253 9.041 -8.920 1.00 0.00 C ATOM 268 CG1 ILE A 16 11.218 8.040 -9.559 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.853 10.114 -9.922 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.475 8.680 -10.110 1.00 0.00 C ATOM 0 H ILE A 16 10.984 7.754 -6.849 1.00 0.00 H new ATOM 0 HA ILE A 16 11.730 10.306 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 16 9.354 8.506 -8.614 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.496 7.291 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.704 7.515 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.403 9.645 -10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.133 10.791 -9.462 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.736 10.676 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.113 7.912 -10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.207 9.408 -10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 16 13.011 9.181 -9.304 1.00 0.00 H new ATOM 282 N LEU A 17 9.114 9.941 -6.044 1.00 0.00 N ATOM 283 CA LEU A 17 8.085 10.659 -5.299 1.00 0.00 C ATOM 284 C LEU A 17 8.711 11.593 -4.268 1.00 0.00 C ATOM 285 O LEU A 17 8.282 12.736 -4.111 1.00 0.00 O ATOM 286 CB LEU A 17 7.147 9.670 -4.604 1.00 0.00 C ATOM 287 CG LEU A 17 6.001 9.144 -5.470 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.249 8.038 -4.746 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.057 10.276 -5.847 1.00 0.00 C ATOM 0 H LEU A 17 9.208 8.957 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 17 7.512 11.259 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.735 8.822 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.724 10.152 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 17 6.422 8.728 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.437 7.676 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.932 7.217 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.838 8.427 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.247 9.885 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.642 10.720 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.604 11.035 -6.406 1.00 0.00 H new ATOM 301 N VAL A 18 9.727 11.100 -3.569 1.00 0.00 N ATOM 302 CA VAL A 18 10.413 11.891 -2.554 1.00 0.00 C ATOM 303 C VAL A 18 11.031 13.147 -3.161 1.00 0.00 C ATOM 304 O VAL A 18 11.144 14.178 -2.499 1.00 0.00 O ATOM 305 CB VAL A 18 11.513 11.070 -1.852 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.572 10.627 -2.849 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.139 11.870 -0.718 1.00 0.00 C ATOM 0 H VAL A 18 10.094 10.156 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 18 9.665 12.182 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 18 11.054 10.178 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.339 10.049 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.110 10.010 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.027 11.504 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.913 11.273 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.581 12.783 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.372 12.128 0.012 1.00 0.00 H new ATOM 317 N LYS A 19 11.431 13.052 -4.425 1.00 0.00 N ATOM 318 CA LYS A 19 12.039 14.179 -5.122 1.00 0.00 C ATOM 319 C LYS A 19 10.992 15.238 -5.457 1.00 0.00 C ATOM 320 O LYS A 19 11.284 16.434 -5.456 1.00 0.00 O ATOM 321 CB LYS A 19 12.727 13.703 -6.402 1.00 0.00 C ATOM 322 CG LYS A 19 13.402 14.820 -7.183 1.00 0.00 C ATOM 323 CD LYS A 19 14.650 14.327 -7.898 1.00 0.00 C ATOM 324 CE LYS A 19 14.624 14.675 -9.379 1.00 0.00 C ATOM 325 NZ LYS A 19 15.943 15.178 -9.854 1.00 0.00 N ATOM 0 H LYS A 19 11.345 12.205 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 19 12.784 14.624 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.471 12.949 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.990 13.218 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.702 15.230 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.667 15.631 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.533 14.769 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.735 13.247 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.343 13.793 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.860 15.431 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.884 15.404 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.200 16.034 -9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.668 14.447 -9.704 1.00 0.00 H new ATOM 339 N ASN A 20 9.774 14.790 -5.742 1.00 0.00 N ATOM 340 CA ASN A 20 8.685 15.698 -6.080 1.00 0.00 C ATOM 341 C ASN A 20 8.002 16.222 -4.821 1.00 0.00 C ATOM 342 O ASN A 20 7.787 17.425 -4.674 1.00 0.00 O ATOM 343 CB ASN A 20 7.664 14.993 -6.976 1.00 0.00 C ATOM 344 CG ASN A 20 7.400 15.751 -8.261 1.00 0.00 C ATOM 345 OD1 ASN A 20 6.318 16.302 -8.459 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.391 15.783 -9.145 1.00 0.00 N ATOM 0 H ASN A 20 9.516 13.803 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 20 9.106 16.546 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.025 13.993 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.728 14.872 -6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.271 16.278 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.272 15.312 -8.940 1.00 0.00 H new ATOM 353 N GLY A 21 7.664 15.310 -3.915 1.00 0.00 N ATOM 354 CA GLY A 21 7.009 15.699 -2.680 1.00 0.00 C ATOM 355 C GLY A 21 6.351 14.527 -1.978 1.00 0.00 C ATOM 356 O GLY A 21 5.132 14.366 -2.033 1.00 0.00 O ATOM 0 H GLY A 21 7.832 14.309 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.740 16.154 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.257 16.458 -2.895 1.00 0.00 H new ATOM 360 N PHE A 22 7.162 13.706 -1.317 1.00 0.00 N ATOM 361 CA PHE A 22 6.652 12.543 -0.602 1.00 0.00 C ATOM 362 C PHE A 22 7.572 12.169 0.555 1.00 0.00 C ATOM 363 O PHE A 22 8.731 11.808 0.349 1.00 0.00 O ATOM 364 CB PHE A 22 6.506 11.356 -1.556 1.00 0.00 C ATOM 365 CG PHE A 22 5.931 10.129 -0.906 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.650 10.144 -0.377 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.672 8.961 -0.823 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.119 9.017 0.222 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.147 7.832 -0.225 1.00 0.00 C ATOM 370 CZ PHE A 22 4.868 7.859 0.298 1.00 0.00 C ATOM 0 H PHE A 22 8.174 13.825 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 22 5.673 12.798 -0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.868 11.648 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.484 11.112 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.060 11.047 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.672 8.933 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.119 9.042 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.736 6.928 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.455 6.977 0.765 1.00 0.00 H new ATOM 380 N ASP A 23 7.048 12.256 1.773 1.00 0.00 N ATOM 381 CA ASP A 23 7.822 11.927 2.964 1.00 0.00 C ATOM 382 C ASP A 23 7.826 10.420 3.211 1.00 0.00 C ATOM 383 O ASP A 23 6.928 9.707 2.767 1.00 0.00 O ATOM 384 CB ASP A 23 7.256 12.658 4.184 1.00 0.00 C ATOM 385 CG ASP A 23 8.267 13.591 4.822 1.00 0.00 C ATOM 386 OD1 ASP A 23 8.793 14.471 4.109 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.533 13.441 6.032 1.00 0.00 O ATOM 0 H ASP A 23 6.090 12.552 1.961 1.00 0.00 H new ATOM 0 HA ASP A 23 8.850 12.252 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.377 13.229 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.926 11.926 4.921 1.00 0.00 H new ATOM 392 N LEU A 24 8.844 9.945 3.922 1.00 0.00 N ATOM 393 CA LEU A 24 8.963 8.524 4.227 1.00 0.00 C ATOM 394 C LEU A 24 8.290 8.194 5.556 1.00 0.00 C ATOM 395 O LEU A 24 7.794 7.085 5.753 1.00 0.00 O ATOM 396 CB LEU A 24 10.437 8.113 4.272 1.00 0.00 C ATOM 397 CG LEU A 24 11.133 8.049 2.912 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.625 9.428 2.499 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.286 7.059 2.951 1.00 0.00 C ATOM 0 H LEU A 24 9.597 10.522 4.297 1.00 0.00 H new ATOM 0 HA LEU A 24 8.460 7.965 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.976 8.817 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.511 7.135 4.747 1.00 0.00 H new ATOM 0 HG LEU A 24 10.411 7.707 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.118 9.363 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.778 10.111 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.332 9.799 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.770 7.026 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.009 7.372 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.907 6.068 3.202 1.00 0.00 H new ATOM 411 N LYS A 25 8.278 9.163 6.465 1.00 0.00 N ATOM 412 CA LYS A 25 7.666 8.974 7.775 1.00 0.00 C ATOM 413 C LYS A 25 6.190 8.612 7.641 1.00 0.00 C ATOM 414 O LYS A 25 5.666 7.804 8.409 1.00 0.00 O ATOM 415 CB LYS A 25 7.816 10.242 8.619 1.00 0.00 C ATOM 416 CG LYS A 25 7.469 10.041 10.086 1.00 0.00 C ATOM 417 CD LYS A 25 8.058 11.141 10.953 1.00 0.00 C ATOM 418 CE LYS A 25 7.350 12.468 10.728 1.00 0.00 C ATOM 419 NZ LYS A 25 6.006 12.495 11.368 1.00 0.00 N ATOM 0 H LYS A 25 8.685 10.087 6.319 1.00 0.00 H new ATOM 0 HA LYS A 25 8.180 8.151 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.843 10.600 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.175 11.021 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.386 10.023 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.843 9.073 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.980 10.859 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.119 11.252 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.960 13.278 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.246 12.647 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.606 13.452 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.379 11.819 10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.094 12.232 12.370 1.00 0.00 H new ATOM 433 N LEU A 26 5.525 9.212 6.660 1.00 0.00 N ATOM 434 CA LEU A 26 4.110 8.952 6.425 1.00 0.00 C ATOM 435 C LEU A 26 3.890 7.513 5.967 1.00 0.00 C ATOM 436 O LEU A 26 2.847 6.918 6.237 1.00 0.00 O ATOM 437 CB LEU A 26 3.556 9.923 5.379 1.00 0.00 C ATOM 438 CG LEU A 26 4.107 9.733 3.964 1.00 0.00 C ATOM 439 CD1 LEU A 26 3.246 8.751 3.183 1.00 0.00 C ATOM 440 CD2 LEU A 26 4.184 11.068 3.239 1.00 0.00 C ATOM 0 H LEU A 26 5.943 9.882 6.015 1.00 0.00 H new ATOM 0 HA LEU A 26 3.579 9.101 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.471 9.819 5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.769 10.942 5.702 1.00 0.00 H new ATOM 0 HG LEU A 26 5.114 9.323 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.653 8.629 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.240 7.787 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.227 9.133 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.578 10.914 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.188 11.505 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.842 11.742 3.787 1.00 0.00 H new ATOM 452 N LEU A 27 4.879 6.961 5.271 1.00 0.00 N ATOM 453 CA LEU A 27 4.795 5.592 4.776 1.00 0.00 C ATOM 454 C LEU A 27 4.914 4.589 5.920 1.00 0.00 C ATOM 455 O LEU A 27 4.369 3.487 5.851 1.00 0.00 O ATOM 456 CB LEU A 27 5.891 5.334 3.741 1.00 0.00 C ATOM 457 CG LEU A 27 5.739 4.035 2.949 1.00 0.00 C ATOM 458 CD1 LEU A 27 4.814 4.239 1.760 1.00 0.00 C ATOM 459 CD2 LEU A 27 7.099 3.534 2.487 1.00 0.00 C ATOM 0 H LEU A 27 5.748 7.441 5.037 1.00 0.00 H new ATOM 0 HA LEU A 27 3.821 5.463 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.912 6.169 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.855 5.321 4.250 1.00 0.00 H new ATOM 0 HG LEU A 27 5.296 3.283 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.718 3.304 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.832 4.554 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.227 5.006 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.974 2.609 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.566 4.285 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.732 3.349 3.355 1.00 0.00 H new ATOM 471 N TYR A 28 5.630 4.977 6.970 1.00 0.00 N ATOM 472 CA TYR A 28 5.817 4.110 8.127 1.00 0.00 C ATOM 473 C TYR A 28 4.628 4.208 9.081 1.00 0.00 C ATOM 474 O TYR A 28 4.354 3.280 9.842 1.00 0.00 O ATOM 475 CB TYR A 28 7.111 4.474 8.859 1.00 0.00 C ATOM 476 CG TYR A 28 8.236 3.493 8.622 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.121 2.167 9.020 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.413 3.892 8.000 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.148 1.266 8.805 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.443 2.998 7.781 1.00 0.00 C ATOM 481 CZ TYR A 28 10.306 1.686 8.184 1.00 0.00 C ATOM 482 OH TYR A 28 11.330 0.793 7.969 1.00 0.00 O ATOM 0 H TYR A 28 6.090 5.885 7.043 1.00 0.00 H new ATOM 0 HA TYR A 28 5.887 3.082 7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.432 5.466 8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.910 4.532 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.215 1.834 9.505 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.524 4.918 7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.044 0.239 9.122 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.351 3.325 7.297 1.00 0.00 H new ATOM 0 HH TYR A 28 12.073 1.249 7.520 1.00 0.00 H new ATOM 492 N LYS A 29 3.929 5.339 9.038 1.00 0.00 N ATOM 493 CA LYS A 29 2.772 5.555 9.900 1.00 0.00 C ATOM 494 C LYS A 29 1.497 5.031 9.248 1.00 0.00 C ATOM 495 O LYS A 29 0.599 4.537 9.928 1.00 0.00 O ATOM 496 CB LYS A 29 2.620 7.043 10.219 1.00 0.00 C ATOM 497 CG LYS A 29 3.601 7.543 11.268 1.00 0.00 C ATOM 498 CD LYS A 29 3.077 8.783 11.974 1.00 0.00 C ATOM 499 CE LYS A 29 3.562 8.851 13.413 1.00 0.00 C ATOM 500 NZ LYS A 29 2.588 9.553 14.295 1.00 0.00 N ATOM 0 H LYS A 29 4.144 6.119 8.416 1.00 0.00 H new ATOM 0 HA LYS A 29 2.935 5.004 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.756 7.618 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.604 7.230 10.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.785 6.757 12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.557 7.769 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.402 9.674 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.987 8.780 11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.729 7.841 13.788 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.521 9.367 13.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.956 9.578 15.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.448 10.525 13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.680 9.047 14.281 1.00 0.00 H new ATOM 514 N VAL A 30 1.421 5.144 7.924 1.00 0.00 N ATOM 515 CA VAL A 30 0.252 4.682 7.186 1.00 0.00 C ATOM 516 C VAL A 30 0.026 3.183 7.384 1.00 0.00 C ATOM 517 O VAL A 30 -1.074 2.679 7.154 1.00 0.00 O ATOM 518 CB VAL A 30 0.381 4.978 5.677 1.00 0.00 C ATOM 519 CG1 VAL A 30 1.561 4.229 5.079 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.909 4.627 4.951 1.00 0.00 C ATOM 0 H VAL A 30 2.154 5.551 7.343 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.603 5.229 7.583 1.00 0.00 H new ATOM 0 HB VAL A 30 0.562 6.046 5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.632 4.453 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.479 4.539 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.419 3.157 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.799 4.843 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.126 3.567 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.728 5.219 5.358 1.00 0.00 H new ATOM 530 N VAL A 31 1.070 2.475 7.810 1.00 0.00 N ATOM 531 CA VAL A 31 0.981 1.036 8.039 1.00 0.00 C ATOM 532 C VAL A 31 -0.245 0.681 8.876 1.00 0.00 C ATOM 533 O VAL A 31 -0.929 -0.307 8.606 1.00 0.00 O ATOM 534 CB VAL A 31 2.240 0.500 8.743 1.00 0.00 C ATOM 535 CG1 VAL A 31 3.460 0.654 7.848 1.00 0.00 C ATOM 536 CG2 VAL A 31 2.451 1.212 10.072 1.00 0.00 C ATOM 0 H VAL A 31 1.988 2.876 8.003 1.00 0.00 H new ATOM 0 HA VAL A 31 0.893 0.568 7.058 1.00 0.00 H new ATOM 0 HB VAL A 31 2.098 -0.562 8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.340 0.269 8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.307 0.095 6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.609 1.708 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.346 0.821 10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.571 2.281 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.587 1.045 10.716 1.00 0.00 H new ATOM 546 N GLY A 32 -0.516 1.492 9.893 1.00 0.00 N ATOM 547 CA GLY A 32 -1.660 1.247 10.752 1.00 0.00 C ATOM 548 C GLY A 32 -2.970 1.279 9.991 1.00 0.00 C ATOM 549 O GLY A 32 -3.941 0.631 10.386 1.00 0.00 O ATOM 0 H GLY A 32 0.036 2.314 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.547 0.277 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.684 1.996 11.543 1.00 0.00 H new ATOM 553 N ASN A 33 -2.999 2.033 8.897 1.00 0.00 N ATOM 554 CA ASN A 33 -4.200 2.146 8.076 1.00 0.00 C ATOM 555 C ASN A 33 -4.228 1.064 7.003 1.00 0.00 C ATOM 556 O ASN A 33 -5.297 0.619 6.584 1.00 0.00 O ATOM 557 CB ASN A 33 -4.269 3.529 7.426 1.00 0.00 C ATOM 558 CG ASN A 33 -4.250 4.650 8.446 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.294 5.189 8.813 1.00 0.00 O ATOM 560 ND2 ASN A 33 -3.057 5.007 8.911 1.00 0.00 N ATOM 0 H ASN A 33 -2.204 2.575 8.558 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.067 2.013 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.428 3.649 6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -5.177 3.601 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.981 5.755 9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.217 4.533 8.579 1.00 0.00 H new ATOM 567 N LEU A 34 -3.047 0.645 6.560 1.00 0.00 N ATOM 568 CA LEU A 34 -2.935 -0.388 5.535 1.00 0.00 C ATOM 569 C LEU A 34 -3.508 -1.711 6.032 1.00 0.00 C ATOM 570 O LEU A 34 -4.144 -2.448 5.277 1.00 0.00 O ATOM 571 CB LEU A 34 -1.474 -0.573 5.125 1.00 0.00 C ATOM 572 CG LEU A 34 -0.798 0.673 4.551 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.663 0.390 4.235 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.531 1.153 3.309 1.00 0.00 C ATOM 0 H LEU A 34 -2.153 1.005 6.895 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.510 -0.067 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.908 -0.906 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.419 -1.371 4.384 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.840 1.463 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.128 1.288 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.182 0.095 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.728 -0.416 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.036 2.040 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.522 0.367 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.562 1.397 3.566 1.00 0.00 H new ATOM 586 N ALA A 35 -3.279 -2.007 7.307 1.00 0.00 N ATOM 587 CA ALA A 35 -3.772 -3.241 7.905 1.00 0.00 C ATOM 588 C ALA A 35 -5.277 -3.173 8.141 1.00 0.00 C ATOM 589 O ALA A 35 -6.021 -4.063 7.729 1.00 0.00 O ATOM 590 CB ALA A 35 -3.043 -3.522 9.210 1.00 0.00 C ATOM 0 H ALA A 35 -2.755 -1.409 7.946 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.576 -4.057 7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.421 -4.447 9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.975 -3.622 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.210 -2.699 9.904 1.00 0.00 H new ATOM 596 N THR A 36 -5.717 -2.112 8.809 1.00 0.00 N ATOM 597 CA THR A 36 -7.133 -1.927 9.100 1.00 0.00 C ATOM 598 C THR A 36 -7.928 -1.702 7.817 1.00 0.00 C ATOM 599 O THR A 36 -8.997 -2.282 7.627 1.00 0.00 O ATOM 600 CB THR A 36 -7.331 -0.744 10.049 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.894 0.461 9.446 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.589 -0.898 11.359 1.00 0.00 C ATOM 0 H THR A 36 -5.113 -1.368 9.159 1.00 0.00 H new ATOM 0 HA THR A 36 -7.500 -2.834 9.580 1.00 0.00 H new ATOM 0 HB THR A 36 -8.401 -0.716 10.257 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.879 1.176 10.116 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.772 -0.025 11.986 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.940 -1.793 11.873 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.520 -0.987 11.164 1.00 0.00 H new ATOM 610 N GLU A 37 -7.396 -0.858 6.938 1.00 0.00 N ATOM 611 CA GLU A 37 -8.055 -0.558 5.673 1.00 0.00 C ATOM 612 C GLU A 37 -9.431 0.059 5.909 1.00 0.00 C ATOM 613 O GLU A 37 -10.434 -0.401 5.362 1.00 0.00 O ATOM 614 CB GLU A 37 -8.188 -1.830 4.834 1.00 0.00 C ATOM 615 CG GLU A 37 -6.870 -2.550 4.608 1.00 0.00 C ATOM 616 CD GLU A 37 -7.055 -3.939 4.027 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.693 -4.782 4.693 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.562 -4.183 2.905 1.00 0.00 O ATOM 0 H GLU A 37 -6.511 -0.371 7.079 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.443 0.164 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.884 -2.509 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.623 -1.574 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.248 -1.959 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.334 -2.625 5.554 1.00 0.00 H new ATOM 625 N GLN A 38 -9.473 1.104 6.729 1.00 0.00 N ATOM 626 CA GLN A 38 -10.728 1.782 7.040 1.00 0.00 C ATOM 627 C GLN A 38 -10.989 2.936 6.071 1.00 0.00 C ATOM 628 O GLN A 38 -12.064 3.022 5.477 1.00 0.00 O ATOM 629 CB GLN A 38 -10.724 2.304 8.483 1.00 0.00 C ATOM 630 CG GLN A 38 -9.705 1.627 9.387 1.00 0.00 C ATOM 631 CD GLN A 38 -9.879 2.002 10.846 1.00 0.00 C ATOM 632 OE1 GLN A 38 -9.944 3.181 11.192 1.00 0.00 O ATOM 633 NE2 GLN A 38 -9.958 0.997 11.711 1.00 0.00 N ATOM 0 H GLN A 38 -8.654 1.500 7.190 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.530 1.051 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.526 3.376 8.469 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.718 2.169 8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.792 0.546 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.700 1.899 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.899 0.034 11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.077 1.188 12.706 1.00 0.00 H new ATOM 642 N PRO A 39 -10.011 3.845 5.901 1.00 0.00 N ATOM 643 CA PRO A 39 -10.154 4.990 5.007 1.00 0.00 C ATOM 644 C PRO A 39 -9.820 4.648 3.550 1.00 0.00 C ATOM 645 O PRO A 39 -10.691 4.211 2.800 1.00 0.00 O ATOM 646 CB PRO A 39 -9.168 6.001 5.594 1.00 0.00 C ATOM 647 CG PRO A 39 -8.101 5.183 6.248 1.00 0.00 C ATOM 648 CD PRO A 39 -8.698 3.833 6.570 1.00 0.00 C ATOM 0 HA PRO A 39 -11.178 5.359 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.751 6.640 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.659 6.655 6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.241 5.074 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.745 5.671 7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.071 3.022 6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.801 3.690 7.646 1.00 0.00 H new ATOM 656 N LEU A 40 -8.562 4.845 3.151 1.00 0.00 N ATOM 657 CA LEU A 40 -8.141 4.552 1.785 1.00 0.00 C ATOM 658 C LEU A 40 -9.019 5.280 0.770 1.00 0.00 C ATOM 659 O LEU A 40 -9.324 4.748 -0.297 1.00 0.00 O ATOM 660 CB LEU A 40 -8.188 3.045 1.527 1.00 0.00 C ATOM 661 CG LEU A 40 -7.605 2.180 2.648 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.493 0.975 2.911 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.192 1.736 2.299 1.00 0.00 C ATOM 0 H LEU A 40 -7.822 5.205 3.754 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.116 4.904 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.225 2.751 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.647 2.832 0.605 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.563 2.780 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.062 0.373 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.486 1.313 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.569 0.374 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.793 1.122 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.211 1.155 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.558 2.612 2.163 1.00 0.00 H new ATOM 675 N ALA A 41 -9.420 6.501 1.111 1.00 0.00 N ATOM 676 CA ALA A 41 -10.262 7.304 0.232 1.00 0.00 C ATOM 677 C ALA A 41 -11.623 6.642 0.019 1.00 0.00 C ATOM 678 O ALA A 41 -11.698 5.467 -0.343 1.00 0.00 O ATOM 679 CB ALA A 41 -9.569 7.530 -1.103 1.00 0.00 C ATOM 0 H ALA A 41 -9.175 6.956 1.990 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.427 8.269 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.210 8.131 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.626 8.052 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.374 6.569 -1.579 1.00 0.00 H new ATOM 685 N PRO A 42 -12.723 7.384 0.243 1.00 0.00 N ATOM 686 CA PRO A 42 -14.079 6.853 0.073 1.00 0.00 C ATOM 687 C PRO A 42 -14.503 6.769 -1.391 1.00 0.00 C ATOM 688 O PRO A 42 -15.591 6.285 -1.703 1.00 0.00 O ATOM 689 CB PRO A 42 -14.941 7.868 0.820 1.00 0.00 C ATOM 690 CG PRO A 42 -14.198 9.154 0.692 1.00 0.00 C ATOM 691 CD PRO A 42 -12.736 8.794 0.681 1.00 0.00 C ATOM 0 HA PRO A 42 -14.166 5.832 0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.937 7.940 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.070 7.586 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.477 9.676 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.429 9.821 1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.173 9.430 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.288 8.910 1.668 1.00 0.00 H new ATOM 699 N LYS A 43 -13.641 7.241 -2.288 1.00 0.00 N ATOM 700 CA LYS A 43 -13.938 7.215 -3.717 1.00 0.00 C ATOM 701 C LYS A 43 -13.189 6.082 -4.411 1.00 0.00 C ATOM 702 O LYS A 43 -13.678 5.506 -5.383 1.00 0.00 O ATOM 703 CB LYS A 43 -13.570 8.553 -4.360 1.00 0.00 C ATOM 704 CG LYS A 43 -12.112 8.937 -4.173 1.00 0.00 C ATOM 705 CD LYS A 43 -11.969 10.331 -3.581 1.00 0.00 C ATOM 706 CE LYS A 43 -10.515 10.670 -3.297 1.00 0.00 C ATOM 707 NZ LYS A 43 -10.378 11.603 -2.145 1.00 0.00 N ATOM 0 H LYS A 43 -12.735 7.645 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.008 7.044 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.791 8.507 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.200 9.335 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.626 8.213 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.598 8.895 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.387 11.065 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.546 10.396 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.962 9.754 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.067 11.119 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.372 11.810 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.884 12.488 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.782 11.164 -1.293 1.00 0.00 H new ATOM 721 N TYR A 44 -12.000 5.769 -3.909 1.00 0.00 N ATOM 722 CA TYR A 44 -11.183 4.705 -4.484 1.00 0.00 C ATOM 723 C TYR A 44 -11.400 3.390 -3.741 1.00 0.00 C ATOM 724 O TYR A 44 -11.691 2.362 -4.352 1.00 0.00 O ATOM 725 CB TYR A 44 -9.705 5.089 -4.442 1.00 0.00 C ATOM 726 CG TYR A 44 -9.414 6.448 -5.038 1.00 0.00 C ATOM 727 CD1 TYR A 44 -9.824 6.764 -6.328 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.729 7.414 -4.312 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.561 8.005 -6.876 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.462 8.658 -4.854 1.00 0.00 C ATOM 731 CZ TYR A 44 -8.878 8.948 -6.136 1.00 0.00 C ATOM 732 OH TYR A 44 -8.614 10.184 -6.678 1.00 0.00 O ATOM 0 H TYR A 44 -11.580 6.236 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.486 4.569 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.364 5.075 -3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.127 4.336 -4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.357 6.028 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.400 7.190 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.889 8.236 -7.879 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.930 9.399 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.759 10.517 -6.333 1.00 0.00 H new ATOM 742 N LYS A 45 -11.251 3.430 -2.421 1.00 0.00 N ATOM 743 CA LYS A 45 -11.429 2.241 -1.595 1.00 0.00 C ATOM 744 C LYS A 45 -10.400 1.173 -1.954 1.00 0.00 C ATOM 745 O LYS A 45 -9.975 1.069 -3.104 1.00 0.00 O ATOM 746 CB LYS A 45 -12.843 1.681 -1.764 1.00 0.00 C ATOM 747 CG LYS A 45 -13.937 2.719 -1.571 1.00 0.00 C ATOM 748 CD LYS A 45 -14.227 2.955 -0.097 1.00 0.00 C ATOM 749 CE LYS A 45 -15.721 3.057 0.167 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.032 4.036 1.246 1.00 0.00 N ATOM 0 H LYS A 45 -11.007 4.273 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.283 2.527 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.936 1.248 -2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.992 0.872 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.637 3.657 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.846 2.389 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.807 2.140 0.493 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.735 3.871 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.232 3.353 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.108 2.076 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.925 3.771 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.265 4.034 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.124 4.987 0.836 1.00 0.00 H new ATOM 764 N ASP A 46 -10.005 0.382 -0.961 1.00 0.00 N ATOM 765 CA ASP A 46 -9.026 -0.677 -1.174 1.00 0.00 C ATOM 766 C ASP A 46 -9.713 -1.992 -1.524 1.00 0.00 C ATOM 767 O ASP A 46 -10.745 -2.339 -0.948 1.00 0.00 O ATOM 768 CB ASP A 46 -8.160 -0.857 0.074 1.00 0.00 C ATOM 769 CG ASP A 46 -7.041 -1.861 -0.134 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.859 -2.319 -1.281 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.346 -2.186 0.851 1.00 0.00 O ATOM 0 H ASP A 46 -10.347 0.455 -0.003 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.391 -0.387 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.733 0.105 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.787 -1.184 0.903 1.00 0.00 H new ATOM 776 N HIS A 47 -9.135 -2.723 -2.472 1.00 0.00 N ATOM 777 CA HIS A 47 -9.693 -4.002 -2.897 1.00 0.00 C ATOM 778 C HIS A 47 -8.624 -4.865 -3.564 1.00 0.00 C ATOM 779 O HIS A 47 -7.726 -4.350 -4.230 1.00 0.00 O ATOM 780 CB HIS A 47 -10.858 -3.777 -3.862 1.00 0.00 C ATOM 781 CG HIS A 47 -10.519 -2.884 -5.015 1.00 0.00 C ATOM 782 ND1 HIS A 47 -10.071 -1.589 -4.857 1.00 0.00 N ATOM 783 CD2 HIS A 47 -10.562 -3.105 -6.350 1.00 0.00 C ATOM 784 CE1 HIS A 47 -9.855 -1.053 -6.045 1.00 0.00 C ATOM 785 NE2 HIS A 47 -10.144 -1.953 -6.967 1.00 0.00 N ATOM 0 H HIS A 47 -8.281 -2.452 -2.960 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.058 -4.525 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.192 -4.741 -4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.695 -3.345 -3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.868 -4.018 -6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.502 -0.049 -6.231 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.069 -1.814 -7.975 1.00 0.00 H new ATOM 794 N PRO A 48 -8.708 -6.197 -3.393 1.00 0.00 N ATOM 795 CA PRO A 48 -7.744 -7.129 -3.982 1.00 0.00 C ATOM 796 C PRO A 48 -7.928 -7.278 -5.488 1.00 0.00 C ATOM 797 O PRO A 48 -8.756 -6.596 -6.093 1.00 0.00 O ATOM 798 CB PRO A 48 -8.049 -8.446 -3.270 1.00 0.00 C ATOM 799 CG PRO A 48 -9.488 -8.349 -2.902 1.00 0.00 C ATOM 800 CD PRO A 48 -9.748 -6.895 -2.613 1.00 0.00 C ATOM 0 HA PRO A 48 -6.716 -6.789 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.863 -9.301 -3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.422 -8.574 -2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.123 -8.704 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.710 -8.965 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.750 -6.597 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.666 -6.676 -1.548 1.00 0.00 H new ATOM 904 N ASP A 55 -2.484 -12.855 -3.816 1.00 0.00 N ATOM 905 CA ASP A 55 -2.737 -12.080 -2.605 1.00 0.00 C ATOM 906 C ASP A 55 -2.354 -10.615 -2.802 1.00 0.00 C ATOM 907 O ASP A 55 -2.140 -9.884 -1.834 1.00 0.00 O ATOM 908 CB ASP A 55 -1.958 -12.667 -1.427 1.00 0.00 C ATOM 909 CG ASP A 55 -2.735 -13.749 -0.703 1.00 0.00 C ATOM 910 OD1 ASP A 55 -3.467 -14.505 -1.376 1.00 0.00 O ATOM 911 OD2 ASP A 55 -2.610 -13.841 0.537 1.00 0.00 O ATOM 0 HA ASP A 55 -3.804 -12.131 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.016 -13.079 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.710 -11.870 -0.726 1.00 0.00 H new ATOM 916 N PHE A 56 -2.273 -10.189 -4.060 1.00 0.00 N ATOM 917 CA PHE A 56 -1.918 -8.813 -4.383 1.00 0.00 C ATOM 918 C PHE A 56 -3.111 -7.883 -4.181 1.00 0.00 C ATOM 919 O PHE A 56 -4.256 -8.261 -4.432 1.00 0.00 O ATOM 920 CB PHE A 56 -1.420 -8.717 -5.826 1.00 0.00 C ATOM 921 CG PHE A 56 0.061 -8.923 -5.965 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.954 -8.046 -5.370 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.559 -9.994 -6.691 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.318 -8.235 -5.496 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.923 -10.185 -6.820 1.00 0.00 C ATOM 926 CZ PHE A 56 2.802 -9.304 -6.222 1.00 0.00 C ATOM 0 H PHE A 56 -2.449 -10.780 -4.873 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.119 -8.502 -3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.940 -9.459 -6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.682 -7.738 -6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.581 -7.207 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.125 -10.686 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.004 -7.546 -5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.300 -11.023 -7.388 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.867 -9.451 -6.322 1.00 0.00 H new ATOM 936 N ARG A 57 -2.834 -6.671 -3.716 1.00 0.00 N ATOM 937 CA ARG A 57 -3.879 -5.684 -3.466 1.00 0.00 C ATOM 938 C ARG A 57 -3.305 -4.273 -3.509 1.00 0.00 C ATOM 939 O ARG A 57 -2.181 -4.035 -3.066 1.00 0.00 O ATOM 940 CB ARG A 57 -4.537 -5.933 -2.107 1.00 0.00 C ATOM 941 CG ARG A 57 -4.820 -7.400 -1.821 1.00 0.00 C ATOM 942 CD ARG A 57 -5.511 -7.583 -0.480 1.00 0.00 C ATOM 943 NE ARG A 57 -5.901 -8.972 -0.250 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.192 -9.472 0.949 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.143 -8.700 2.027 1.00 0.00 N ATOM 946 NH2 ARG A 57 -6.536 -10.747 1.069 1.00 0.00 N ATOM 0 H ARG A 57 -1.891 -6.346 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.632 -5.782 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.891 -5.538 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.473 -5.376 -2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.445 -7.812 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.885 -7.960 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.845 -7.257 0.319 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.395 -6.947 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.953 -9.595 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.881 -7.718 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.367 -9.089 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.577 -11.344 0.243 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.759 -11.131 1.987 1.00 0.00 H new ATOM 960 N GLU A 58 -4.083 -3.340 -4.049 1.00 0.00 N ATOM 961 CA GLU A 58 -3.648 -1.952 -4.154 1.00 0.00 C ATOM 962 C GLU A 58 -4.692 -1.004 -3.576 1.00 0.00 C ATOM 963 O GLU A 58 -5.892 -1.278 -3.624 1.00 0.00 O ATOM 964 CB GLU A 58 -3.375 -1.595 -5.617 1.00 0.00 C ATOM 965 CG GLU A 58 -2.810 -0.197 -5.807 1.00 0.00 C ATOM 966 CD GLU A 58 -2.891 0.275 -7.245 1.00 0.00 C ATOM 967 OE1 GLU A 58 -1.974 -0.049 -8.028 1.00 0.00 O ATOM 968 OE2 GLU A 58 -3.872 0.965 -7.588 1.00 0.00 O ATOM 0 H GLU A 58 -5.016 -3.520 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.729 -1.842 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.677 -2.320 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.302 -1.683 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.353 0.500 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.770 -0.182 -5.482 1.00 0.00 H new ATOM 975 N CYS A 59 -4.227 0.115 -3.029 1.00 0.00 N ATOM 976 CA CYS A 59 -5.116 1.109 -2.443 1.00 0.00 C ATOM 977 C CYS A 59 -4.684 2.517 -2.840 1.00 0.00 C ATOM 978 O CYS A 59 -3.794 2.691 -3.672 1.00 0.00 O ATOM 979 CB CYS A 59 -5.135 0.976 -0.919 1.00 0.00 C ATOM 980 SG CYS A 59 -3.550 1.330 -0.125 1.00 0.00 S ATOM 0 H CYS A 59 -3.237 0.355 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.122 0.933 -2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.890 1.651 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.442 -0.037 -0.658 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.669 1.192 1.162 1.00 0.00 H new ATOM 986 N HIS A 60 -5.320 3.521 -2.245 1.00 0.00 N ATOM 987 CA HIS A 60 -4.996 4.911 -2.543 1.00 0.00 C ATOM 988 C HIS A 60 -5.101 5.777 -1.291 1.00 0.00 C ATOM 989 O HIS A 60 -6.138 6.388 -1.033 1.00 0.00 O ATOM 990 CB HIS A 60 -5.927 5.450 -3.630 1.00 0.00 C ATOM 991 CG HIS A 60 -6.021 4.560 -4.831 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.705 3.408 -5.029 1.00 0.00 N flip ATOM 993 CD2 HIS A 60 -5.359 4.818 -6.014 1.00 0.00 C flip ATOM 994 CE1 HIS A 60 -6.447 2.996 -6.312 1.00 0.00 C flip ATOM 995 NE2 HIS A 60 -5.634 3.864 -6.886 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.061 3.398 -1.555 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.968 4.949 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.923 5.586 -3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.576 6.433 -3.943 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -7.301 2.935 -4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.717 5.667 -6.198 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.844 2.106 -6.777 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.022 5.827 -0.519 1.00 0.00 N ATOM 1005 CA LEU A 61 -3.994 6.622 0.704 1.00 0.00 C ATOM 1006 C LEU A 61 -4.217 8.098 0.394 1.00 0.00 C ATOM 1007 O LEU A 61 -4.970 8.781 1.087 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.662 6.436 1.433 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.423 6.431 0.532 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.471 7.552 0.922 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.717 5.084 0.602 1.00 0.00 C ATOM 0 H LEU A 61 -3.155 5.327 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.801 6.277 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.554 7.233 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.695 5.496 1.984 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.747 6.598 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.402 7.531 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.977 8.512 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.155 7.417 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.161 5.099 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.408 4.888 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.397 4.299 0.272 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.560 8.584 -0.655 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.690 9.979 -1.059 1.00 0.00 C ATOM 1025 C LYS A 62 -4.668 10.119 -2.222 1.00 0.00 C ATOM 1026 O LYS A 62 -5.041 9.129 -2.854 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.323 10.549 -1.446 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.742 11.497 -0.409 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.648 10.839 0.959 1.00 0.00 C ATOM 1030 CE LYS A 62 -2.224 11.728 2.052 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.200 12.090 3.071 1.00 0.00 N ATOM 0 H LYS A 62 -2.933 8.032 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.081 10.544 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.627 9.725 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.414 11.075 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.751 11.822 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.364 12.390 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.182 9.889 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.605 10.615 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.629 12.636 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.054 11.215 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.632 12.696 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.832 11.225 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.420 12.603 2.612 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.105 11.355 -2.520 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.048 11.621 -3.609 1.00 0.00 C ATOM 1047 C PRO A 63 -5.401 11.543 -4.990 1.00 0.00 C ATOM 1048 O PRO A 63 -6.078 11.683 -6.008 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.519 13.045 -3.321 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.375 13.683 -2.615 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.715 12.592 -1.812 1.00 0.00 C ATOM 0 HA PRO A 63 -6.849 10.882 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.763 13.576 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.417 13.048 -2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.674 14.121 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.718 14.490 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.632 12.714 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.062 12.589 -0.779 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.089 11.324 -5.024 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.366 11.234 -6.289 1.00 0.00 C ATOM 1061 C ASP A 64 -2.196 10.262 -6.184 1.00 0.00 C ATOM 1062 O ASP A 64 -1.155 10.463 -6.812 1.00 0.00 O ATOM 1063 CB ASP A 64 -2.862 12.618 -6.710 1.00 0.00 C ATOM 1064 CG ASP A 64 -3.337 13.007 -8.097 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -3.565 12.099 -8.923 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -3.480 14.221 -8.355 1.00 0.00 O ATOM 0 H ASP A 64 -3.507 11.206 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.055 10.859 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.204 13.361 -5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.772 12.628 -6.686 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.369 9.211 -5.390 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.321 8.213 -5.209 1.00 0.00 C ATOM 1073 C LEU A 65 -1.914 6.849 -4.875 1.00 0.00 C ATOM 1074 O LEU A 65 -2.933 6.753 -4.192 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.362 8.645 -4.097 1.00 0.00 C ATOM 1076 CG LEU A 65 0.546 9.826 -4.444 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -0.008 11.116 -3.859 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.961 9.577 -3.940 1.00 0.00 C ATOM 0 H LEU A 65 -3.223 9.028 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.772 8.131 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.947 8.904 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.263 7.794 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 65 0.579 9.927 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.651 11.945 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.002 11.303 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.071 11.026 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.593 10.427 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.945 9.450 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.360 8.676 -4.405 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.261 5.797 -5.358 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.714 4.433 -5.107 1.00 0.00 C ATOM 1092 C LEU A 66 -0.744 3.717 -4.174 1.00 0.00 C ATOM 1093 O LEU A 66 0.186 4.328 -3.647 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.852 3.648 -6.420 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.655 4.461 -7.705 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.194 4.445 -8.126 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.537 3.918 -8.818 1.00 0.00 C ATOM 0 H LEU A 66 -0.416 5.863 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.694 4.485 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.128 2.834 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.842 3.194 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.945 5.493 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.072 5.027 -9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.417 4.879 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.122 3.417 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.385 4.506 -9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.277 2.878 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.583 3.980 -8.517 1.00 0.00 H new ATOM 1109 N LEU A 67 -0.960 2.422 -3.972 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.093 1.637 -3.103 1.00 0.00 C ATOM 1111 C LEU A 67 -0.388 0.148 -3.221 1.00 0.00 C ATOM 1112 O LEU A 67 -1.367 -0.348 -2.664 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.252 2.080 -1.647 1.00 0.00 C ATOM 1114 CG LEU A 67 0.925 1.730 -0.730 1.00 0.00 C ATOM 1115 CD1 LEU A 67 0.740 2.365 0.639 1.00 0.00 C ATOM 1116 CD2 LEU A 67 1.080 0.221 -0.604 1.00 0.00 C ATOM 0 H LEU A 67 -1.724 1.896 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 67 0.935 1.809 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.401 3.160 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.156 1.626 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 67 1.836 2.129 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.585 2.106 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.684 3.448 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.182 1.996 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.921 -0.005 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.169 -0.205 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.261 -0.210 -1.589 1.00 0.00 H new ATOM 1128 N VAL A 68 0.478 -0.563 -3.933 1.00 0.00 N ATOM 1129 CA VAL A 68 0.326 -2.002 -4.105 1.00 0.00 C ATOM 1130 C VAL A 68 1.149 -2.744 -3.059 1.00 0.00 C ATOM 1131 O VAL A 68 2.363 -2.569 -2.983 1.00 0.00 O ATOM 1132 CB VAL A 68 0.767 -2.454 -5.510 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.351 -3.895 -5.760 1.00 0.00 C ATOM 1134 CG2 VAL A 68 0.193 -1.534 -6.575 1.00 0.00 C ATOM 0 H VAL A 68 1.293 -0.166 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.731 -2.237 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 68 1.854 -2.397 -5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.670 -4.198 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.817 -4.542 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.733 -3.979 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.517 -1.871 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.896 -1.554 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.546 -0.517 -6.406 1.00 0.00 H new ATOM 1144 N TYR A 69 0.488 -3.559 -2.246 1.00 0.00 N ATOM 1145 CA TYR A 69 1.181 -4.309 -1.204 1.00 0.00 C ATOM 1146 C TYR A 69 0.671 -5.743 -1.117 1.00 0.00 C ATOM 1147 O TYR A 69 -0.431 -6.053 -1.571 1.00 0.00 O ATOM 1148 CB TYR A 69 1.024 -3.615 0.151 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.410 -3.506 0.627 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.130 -4.637 0.991 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.041 -2.271 0.710 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.438 -4.540 1.426 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.349 -2.166 1.145 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.043 -3.303 1.500 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.346 -3.203 1.933 1.00 0.00 O ATOM 0 H TYR A 69 -0.519 -3.717 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 69 2.238 -4.340 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.602 -4.161 0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.451 -2.614 0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.660 -5.608 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.501 -1.379 0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.984 -5.429 1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.825 -1.198 1.206 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.805 -2.499 1.429 1.00 0.00 H new ATOM 1165 N GLN A 70 1.485 -6.613 -0.527 1.00 0.00 N ATOM 1166 CA GLN A 70 1.127 -8.016 -0.369 1.00 0.00 C ATOM 1167 C GLN A 70 1.395 -8.478 1.059 1.00 0.00 C ATOM 1168 O GLN A 70 2.518 -8.376 1.553 1.00 0.00 O ATOM 1169 CB GLN A 70 1.914 -8.881 -1.356 1.00 0.00 C ATOM 1170 CG GLN A 70 1.504 -10.345 -1.344 1.00 0.00 C ATOM 1171 CD GLN A 70 1.892 -11.069 -2.617 1.00 0.00 C ATOM 1172 OE1 GLN A 70 0.949 -11.179 -3.546 1.00 0.00 O flip ATOM 1173 NE2 GLN A 70 3.026 -11.523 -2.767 1.00 0.00 N flip ATOM 0 H GLN A 70 2.400 -6.368 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 70 0.063 -8.124 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.780 -8.483 -2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.976 -8.808 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.968 -10.842 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.425 -10.415 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.720 -11.416 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.272 -12.006 -3.631 1.00 0.00 H new ATOM 1182 N ILE A 71 0.358 -8.979 1.720 1.00 0.00 N ATOM 1183 CA ILE A 71 0.485 -9.446 3.095 1.00 0.00 C ATOM 1184 C ILE A 71 0.985 -10.885 3.150 1.00 0.00 C ATOM 1185 O ILE A 71 0.463 -11.762 2.462 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.857 -9.359 3.851 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.603 -8.065 3.496 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.626 -9.449 5.351 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.707 -6.849 3.392 1.00 0.00 C ATOM 0 H ILE A 71 -0.579 -9.072 1.327 1.00 0.00 H new ATOM 0 HA ILE A 71 1.211 -8.791 3.577 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.477 -10.201 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.121 -8.205 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.366 -7.878 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.582 -9.386 5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.145 -10.398 5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.015 -8.627 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.307 -5.975 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.208 -6.682 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.041 -7.013 2.616 1.00 0.00 H new ATOM 1201 N LYS A 72 1.998 -11.117 3.976 1.00 0.00 N ATOM 1202 CA LYS A 72 2.570 -12.448 4.130 1.00 0.00 C ATOM 1203 C LYS A 72 2.272 -13.005 5.520 1.00 0.00 C ATOM 1204 O LYS A 72 3.084 -12.882 6.437 1.00 0.00 O ATOM 1205 CB LYS A 72 4.081 -12.408 3.896 1.00 0.00 C ATOM 1206 CG LYS A 72 4.801 -11.380 4.756 1.00 0.00 C ATOM 1207 CD LYS A 72 5.430 -10.284 3.911 1.00 0.00 C ATOM 1208 CE LYS A 72 6.810 -10.684 3.418 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.718 -11.047 4.541 1.00 0.00 N ATOM 0 H LYS A 72 2.440 -10.399 4.550 1.00 0.00 H new ATOM 0 HA LYS A 72 2.114 -13.103 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.498 -13.395 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.272 -12.189 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.097 -10.938 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.574 -11.875 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.787 -10.066 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.503 -9.368 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.721 -11.529 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.245 -9.861 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.701 -11.066 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.628 -10.343 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.460 -11.986 4.906 1.00 0.00 H new ATOM 1223 N LYS A 73 1.099 -13.611 5.665 1.00 0.00 N ATOM 1224 CA LYS A 73 0.682 -14.186 6.939 1.00 0.00 C ATOM 1225 C LYS A 73 1.702 -15.204 7.448 1.00 0.00 C ATOM 1226 O LYS A 73 1.766 -15.483 8.645 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.688 -14.848 6.798 1.00 0.00 C ATOM 1228 CG LYS A 73 -1.798 -13.877 6.428 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.701 -14.445 5.345 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.160 -14.106 5.603 1.00 0.00 C ATOM 1231 NZ LYS A 73 -5.059 -14.701 4.574 1.00 0.00 N ATOM 0 H LYS A 73 0.418 -13.717 4.913 1.00 0.00 H new ATOM 0 HA LYS A 73 0.617 -13.376 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.629 -15.627 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.944 -15.338 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.391 -13.647 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.362 -12.939 6.084 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.400 -14.050 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.580 -15.527 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.448 -14.468 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.285 -13.023 5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.045 -14.447 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.801 -14.336 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.959 -15.736 4.582 1.00 0.00 H new ATOM 1245 N GLN A 74 2.493 -15.758 6.534 1.00 0.00 N ATOM 1246 CA GLN A 74 3.505 -16.747 6.897 1.00 0.00 C ATOM 1247 C GLN A 74 4.395 -16.232 8.026 1.00 0.00 C ATOM 1248 O GLN A 74 4.898 -17.008 8.836 1.00 0.00 O ATOM 1249 CB GLN A 74 4.361 -17.105 5.680 1.00 0.00 C ATOM 1250 CG GLN A 74 4.912 -15.894 4.947 1.00 0.00 C ATOM 1251 CD GLN A 74 4.929 -16.081 3.442 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.029 -15.392 2.750 1.00 0.00 O flip ATOM 1253 NE2 GLN A 74 5.743 -16.836 2.908 1.00 0.00 N flip ATOM 0 H GLN A 74 2.454 -15.540 5.538 1.00 0.00 H new ATOM 0 HA GLN A 74 2.990 -17.642 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.191 -17.733 6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.763 -17.698 4.987 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.310 -15.020 5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.925 -15.693 5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.417 -17.346 3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.743 -16.951 1.895 1.00 0.00 H new ATOM 1262 N GLU A 75 4.582 -14.916 8.073 1.00 0.00 N ATOM 1263 CA GLU A 75 5.407 -14.297 9.105 1.00 0.00 C ATOM 1264 C GLU A 75 4.814 -12.966 9.566 1.00 0.00 C ATOM 1265 O GLU A 75 5.496 -12.160 10.199 1.00 0.00 O ATOM 1266 CB GLU A 75 6.831 -14.081 8.589 1.00 0.00 C ATOM 1267 CG GLU A 75 6.890 -13.597 7.149 1.00 0.00 C ATOM 1268 CD GLU A 75 8.291 -13.656 6.572 1.00 0.00 C ATOM 1269 OE1 GLU A 75 9.238 -13.227 7.265 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.442 -14.129 5.426 1.00 0.00 O ATOM 0 H GLU A 75 4.174 -14.258 7.409 1.00 0.00 H new ATOM 0 HA GLU A 75 5.433 -14.973 9.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.334 -13.355 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.384 -15.016 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.223 -14.205 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.523 -12.572 7.099 1.00 0.00 H new ATOM 1277 N ASN A 76 3.539 -12.742 9.250 1.00 0.00 N ATOM 1278 CA ASN A 76 2.853 -11.511 9.635 1.00 0.00 C ATOM 1279 C ASN A 76 3.701 -10.281 9.319 1.00 0.00 C ATOM 1280 O ASN A 76 4.194 -9.605 10.222 1.00 0.00 O ATOM 1281 CB ASN A 76 2.510 -11.540 11.125 1.00 0.00 C ATOM 1282 CG ASN A 76 1.202 -10.838 11.432 1.00 0.00 C ATOM 1283 OD1 ASN A 76 1.213 -9.512 11.370 1.00 0.00 O flip ATOM 1284 ND2 ASN A 76 0.192 -11.481 11.722 1.00 0.00 N flip ATOM 0 H ASN A 76 2.960 -13.399 8.727 1.00 0.00 H new ATOM 0 HA ASN A 76 1.932 -11.446 9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.451 -12.575 11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.314 -11.067 11.689 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.229 -12.500 11.758 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.681 -10.995 11.926 1.00 0.00 H new ATOM 1291 N THR A 77 3.869 -9.996 8.032 1.00 0.00 N ATOM 1292 CA THR A 77 4.658 -8.847 7.602 1.00 0.00 C ATOM 1293 C THR A 77 3.992 -8.132 6.429 1.00 0.00 C ATOM 1294 O THR A 77 3.398 -8.767 5.558 1.00 0.00 O ATOM 1295 CB THR A 77 6.071 -9.293 7.216 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.773 -9.772 8.350 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.905 -8.191 6.595 1.00 0.00 C ATOM 0 H THR A 77 3.470 -10.544 7.270 1.00 0.00 H new ATOM 0 HA THR A 77 4.720 -8.146 8.435 1.00 0.00 H new ATOM 0 HB THR A 77 5.929 -10.079 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.673 -10.053 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.893 -8.578 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.417 -7.833 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.005 -7.368 7.303 1.00 0.00 H new ATOM 1305 N LEU A 78 4.102 -6.807 6.413 1.00 0.00 N ATOM 1306 CA LEU A 78 3.518 -6.001 5.347 1.00 0.00 C ATOM 1307 C LEU A 78 4.566 -5.662 4.293 1.00 0.00 C ATOM 1308 O LEU A 78 5.330 -4.709 4.449 1.00 0.00 O ATOM 1309 CB LEU A 78 2.917 -4.716 5.922 1.00 0.00 C ATOM 1310 CG LEU A 78 1.616 -4.255 5.259 1.00 0.00 C ATOM 1311 CD1 LEU A 78 1.161 -2.927 5.843 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.796 -4.146 3.752 1.00 0.00 C ATOM 0 H LEU A 78 4.591 -6.268 7.128 1.00 0.00 H new ATOM 0 HA LEU A 78 2.726 -6.581 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.732 -4.864 6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.654 -3.918 5.835 1.00 0.00 H new ATOM 0 HG LEU A 78 0.844 -4.998 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.235 -2.615 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.991 -3.039 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.930 -2.173 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.862 -3.817 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.581 -3.423 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.074 -5.119 3.347 1.00 0.00 H new ATOM 1324 N PHE A 79 4.599 -6.450 3.225 1.00 0.00 N ATOM 1325 CA PHE A 79 5.559 -6.239 2.146 1.00 0.00 C ATOM 1326 C PHE A 79 4.949 -5.392 1.030 1.00 0.00 C ATOM 1327 O PHE A 79 4.014 -5.819 0.352 1.00 0.00 O ATOM 1328 CB PHE A 79 6.033 -7.590 1.599 1.00 0.00 C ATOM 1329 CG PHE A 79 6.725 -7.509 0.265 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.622 -6.486 -0.008 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.480 -8.459 -0.713 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.257 -6.414 -1.232 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.112 -8.391 -1.940 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.002 -7.367 -2.200 1.00 0.00 C ATOM 0 H PHE A 79 3.972 -7.242 3.082 1.00 0.00 H new ATOM 0 HA PHE A 79 6.417 -5.698 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.713 -8.043 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.174 -8.255 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.826 -5.739 0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.787 -9.263 -0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.953 -5.613 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.910 -9.137 -2.694 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.498 -7.311 -3.158 1.00 0.00 H new ATOM 1344 N LEU A 80 5.490 -4.191 0.845 1.00 0.00 N ATOM 1345 CA LEU A 80 5.009 -3.282 -0.189 1.00 0.00 C ATOM 1346 C LEU A 80 5.362 -3.806 -1.578 1.00 0.00 C ATOM 1347 O LEU A 80 6.128 -4.760 -1.713 1.00 0.00 O ATOM 1348 CB LEU A 80 5.610 -1.889 0.010 1.00 0.00 C ATOM 1349 CG LEU A 80 5.027 -1.087 1.175 1.00 0.00 C ATOM 1350 CD1 LEU A 80 3.591 -0.686 0.879 1.00 0.00 C ATOM 1351 CD2 LEU A 80 5.102 -1.890 2.465 1.00 0.00 C ATOM 0 H LEU A 80 6.264 -3.825 1.400 1.00 0.00 H new ATOM 0 HA LEU A 80 3.924 -3.218 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.684 -1.993 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.473 -1.317 -0.908 1.00 0.00 H new ATOM 0 HG LEU A 80 5.619 -0.180 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.192 -0.116 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.563 -0.073 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.987 -1.581 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.683 -1.304 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.534 -2.814 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.143 -2.128 2.685 1.00 0.00 H new ATOM 1363 N VAL A 81 4.800 -3.178 -2.605 1.00 0.00 N ATOM 1364 CA VAL A 81 5.061 -3.585 -3.983 1.00 0.00 C ATOM 1365 C VAL A 81 5.296 -2.372 -4.878 1.00 0.00 C ATOM 1366 O VAL A 81 6.384 -2.198 -5.428 1.00 0.00 O ATOM 1367 CB VAL A 81 3.894 -4.414 -4.558 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.242 -4.947 -5.938 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.533 -5.552 -3.616 1.00 0.00 C ATOM 0 H VAL A 81 4.162 -2.387 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 81 5.959 -4.202 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 81 3.026 -3.762 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.405 -5.529 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.445 -4.113 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.125 -5.582 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.708 -6.126 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.397 -6.203 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.235 -5.144 -2.650 1.00 0.00 H new ATOM 1379 N ARG A 82 4.271 -1.539 -5.019 1.00 0.00 N ATOM 1380 CA ARG A 82 4.368 -0.342 -5.849 1.00 0.00 C ATOM 1381 C ARG A 82 3.813 0.874 -5.117 1.00 0.00 C ATOM 1382 O ARG A 82 3.238 0.751 -4.034 1.00 0.00 O ATOM 1383 CB ARG A 82 3.618 -0.549 -7.166 1.00 0.00 C ATOM 1384 CG ARG A 82 4.389 -0.075 -8.387 1.00 0.00 C ATOM 1385 CD ARG A 82 3.453 0.336 -9.512 1.00 0.00 C ATOM 1386 NE ARG A 82 4.182 0.699 -10.726 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.735 -0.185 -11.552 1.00 0.00 C ATOM 1388 NH1 ARG A 82 4.645 -1.486 -11.299 1.00 0.00 N ATOM 1389 NH2 ARG A 82 5.379 0.230 -12.634 1.00 0.00 N ATOM 0 H ARG A 82 3.364 -1.669 -4.570 1.00 0.00 H new ATOM 0 HA ARG A 82 5.421 -0.162 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.388 -1.608 -7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.666 -0.019 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.023 0.768 -8.113 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.049 -0.871 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.768 -0.483 -9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.845 1.181 -9.188 1.00 0.00 H new ATOM 0 HE ARG A 82 4.272 1.689 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.150 -1.811 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.071 -2.160 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.451 1.228 -12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.803 -0.448 -13.267 1.00 0.00 H new ATOM 1403 N LEU A 83 3.988 2.049 -5.712 1.00 0.00 N ATOM 1404 CA LEU A 83 3.504 3.289 -5.116 1.00 0.00 C ATOM 1405 C LEU A 83 3.766 4.476 -6.038 1.00 0.00 C ATOM 1406 O LEU A 83 4.765 4.508 -6.756 1.00 0.00 O ATOM 1407 CB LEU A 83 4.175 3.524 -3.762 1.00 0.00 C ATOM 1408 CG LEU A 83 3.380 4.394 -2.787 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.573 3.911 -1.357 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.793 5.853 -2.919 1.00 0.00 C ATOM 0 H LEU A 83 4.462 2.169 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 83 2.428 3.196 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.361 2.558 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.146 3.989 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 83 2.322 4.311 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.999 4.543 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.228 2.880 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.630 3.963 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.218 6.459 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.856 5.952 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.602 6.195 -3.936 1.00 0.00 H new ATOM 1422 N GLY A 84 2.864 5.450 -6.013 1.00 0.00 N ATOM 1423 CA GLY A 84 3.017 6.624 -6.850 1.00 0.00 C ATOM 1424 C GLY A 84 2.168 6.557 -8.103 1.00 0.00 C ATOM 1425 O GLY A 84 2.197 5.562 -8.828 1.00 0.00 O ATOM 0 H GLY A 84 2.029 5.447 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.746 7.512 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.065 6.733 -7.130 1.00 0.00 H new ATOM 1429 N SER A 85 1.407 7.618 -8.360 1.00 0.00 N ATOM 1430 CA SER A 85 0.543 7.677 -9.534 1.00 0.00 C ATOM 1431 C SER A 85 1.326 7.372 -10.808 1.00 0.00 C ATOM 1432 O SER A 85 2.460 7.824 -10.976 1.00 0.00 O ATOM 1433 CB SER A 85 -0.110 9.055 -9.643 1.00 0.00 C ATOM 1434 OG SER A 85 -1.403 8.963 -10.217 1.00 0.00 O ATOM 0 H SER A 85 1.372 8.449 -7.770 1.00 0.00 H new ATOM 0 HA SER A 85 -0.233 6.920 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.179 9.507 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.515 9.710 -10.250 1.00 0.00 H new ATOM 0 HG SER A 85 -1.415 9.439 -11.074 1.00 0.00 H new ATOM 1440 N HIS A 86 0.715 6.601 -11.702 1.00 0.00 N ATOM 1441 CA HIS A 86 1.353 6.232 -12.960 1.00 0.00 C ATOM 1442 C HIS A 86 1.730 7.473 -13.765 1.00 0.00 C ATOM 1443 O HIS A 86 2.703 7.463 -14.519 1.00 0.00 O ATOM 1444 CB HIS A 86 0.425 5.335 -13.780 1.00 0.00 C ATOM 1445 CG HIS A 86 1.075 4.070 -14.247 1.00 0.00 C ATOM 1446 ND1 HIS A 86 1.003 3.621 -15.550 1.00 0.00 N ATOM 1447 CD2 HIS A 86 1.814 3.155 -13.576 1.00 0.00 C ATOM 1448 CE1 HIS A 86 1.669 2.486 -15.660 1.00 0.00 C ATOM 1449 NE2 HIS A 86 2.171 2.181 -14.477 1.00 0.00 N ATOM 0 H HIS A 86 -0.223 6.219 -11.578 1.00 0.00 H new ATOM 0 HA HIS A 86 2.266 5.683 -12.730 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.449 5.084 -13.179 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.067 5.891 -14.646 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.074 3.185 -12.528 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.784 1.906 -16.564 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.733 1.356 -14.266 1.00 0.00 H new ATOM 1458 N SER A 87 0.954 8.540 -13.598 1.00 0.00 N ATOM 1459 CA SER A 87 1.209 9.788 -14.310 1.00 0.00 C ATOM 1460 C SER A 87 2.541 10.396 -13.882 1.00 0.00 C ATOM 1461 O SER A 87 3.230 11.029 -14.681 1.00 0.00 O ATOM 1462 CB SER A 87 0.075 10.784 -14.054 1.00 0.00 C ATOM 1463 OG SER A 87 -0.331 10.757 -12.698 1.00 0.00 O ATOM 0 H SER A 87 0.145 8.566 -12.977 1.00 0.00 H new ATOM 0 HA SER A 87 1.257 9.567 -15.376 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.403 11.789 -14.319 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.774 10.546 -14.696 1.00 0.00 H new ATOM 0 HG SER A 87 -1.055 11.403 -12.560 1.00 0.00 H new ATOM 1469 N GLU A 88 2.898 10.196 -12.617 1.00 0.00 N ATOM 1470 CA GLU A 88 4.148 10.724 -12.084 1.00 0.00 C ATOM 1471 C GLU A 88 5.340 9.929 -12.604 1.00 0.00 C ATOM 1472 O GLU A 88 6.352 10.501 -13.011 1.00 0.00 O ATOM 1473 CB GLU A 88 4.127 10.693 -10.554 1.00 0.00 C ATOM 1474 CG GLU A 88 5.298 11.422 -9.914 1.00 0.00 C ATOM 1475 CD GLU A 88 5.135 12.929 -9.943 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.981 13.489 -11.049 1.00 0.00 O ATOM 1477 OE2 GLU A 88 5.157 13.549 -8.859 1.00 0.00 O ATOM 0 H GLU A 88 2.339 9.672 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 88 4.250 11.756 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.196 11.139 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.129 9.655 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.405 11.092 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.217 11.150 -10.433 1.00 0.00 H new ATOM 1484 N LEU A 89 5.214 8.607 -12.588 1.00 0.00 N ATOM 1485 CA LEU A 89 6.282 7.732 -13.058 1.00 0.00 C ATOM 1486 C LEU A 89 6.528 7.928 -14.551 1.00 0.00 C ATOM 1487 O LEU A 89 7.584 8.414 -14.959 1.00 0.00 O ATOM 1488 CB LEU A 89 5.934 6.269 -12.776 1.00 0.00 C ATOM 1489 CG LEU A 89 6.104 5.833 -11.318 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.817 6.060 -10.541 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.524 4.373 -11.247 1.00 0.00 C ATOM 0 H LEU A 89 4.383 8.118 -12.255 1.00 0.00 H new ATOM 0 HA LEU A 89 7.193 7.992 -12.519 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.900 6.093 -13.074 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.559 5.635 -13.404 1.00 0.00 H new ATOM 0 HG LEU A 89 6.888 6.438 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.956 5.745 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.559 7.119 -10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.012 5.480 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.641 4.078 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.761 3.752 -11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.471 4.241 -11.769 1.00 0.00 H new