USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 767 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 9 THR OG1 : rot -80:sc= 1.96 USER MOD Set 1.2: A 46 HIS : no HE2:sc= 1.03 K(o=3,f=-5.2!) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc=-0.00341 (180deg=-0.134) USER MOD Single : A 8 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.3) USER MOD Single : A 15 GLN : amide:sc= 0.187 K(o=0.19,f=-0.37) USER MOD Single : A 18 GLN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00534 (180deg=-0.102) USER MOD Single : A 31 SER OG : rot 180:sc= -0.214 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.133 F(o=-1.1,f=-0.13) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0.0537 K(o=0.054,f=-4.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.48) USER MOD Single : A 67 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.11) USER MOD Single : A 70 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.087) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 58:sc= 1.02 USER MOD Single : A 89 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.73) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 99 GLN : amide:sc= 1.15 K(o=1.1,f=-0.84) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -4.514 -4.590 -9.099 1.00 0.00 N ATOM 65 CA LYS A 5 -4.856 -3.643 -10.159 1.00 0.00 C ATOM 66 C LYS A 5 -4.503 -4.229 -11.530 1.00 0.00 C ATOM 67 O LYS A 5 -5.107 -3.882 -12.550 1.00 0.00 O ATOM 68 CB LYS A 5 -4.122 -2.311 -9.937 1.00 0.00 C ATOM 69 CG LYS A 5 -4.588 -1.179 -10.846 1.00 0.00 C ATOM 70 CD LYS A 5 -6.062 -0.870 -10.629 1.00 0.00 C ATOM 71 CE LYS A 5 -6.541 0.260 -11.524 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.893 1.555 -11.198 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -5.930 -3.457 -10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.254 -2.006 -8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.054 -2.468 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.994 -0.286 -10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.421 -1.453 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.653 -1.764 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.227 -0.602 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.337 0.007 -12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.622 0.363 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.348 2.317 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.993 1.747 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.884 1.510 -11.444 1.00 0.00 H new ATOM 86 N LEU A 6 -3.533 -5.130 -11.528 1.00 0.00 N ATOM 87 CA LEU A 6 -3.081 -5.776 -12.748 1.00 0.00 C ATOM 88 C LEU A 6 -4.214 -6.610 -13.309 1.00 0.00 C ATOM 89 O LEU A 6 -4.604 -6.450 -14.464 1.00 0.00 O ATOM 90 CB LEU A 6 -1.853 -6.657 -12.479 1.00 0.00 C ATOM 91 CG LEU A 6 -1.225 -7.334 -13.702 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.645 -6.298 -14.652 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.153 -8.321 -13.270 1.00 0.00 C ATOM 0 H LEU A 6 -3.041 -5.432 -10.687 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.790 -5.014 -13.471 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.091 -6.044 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.137 -7.432 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.006 -7.881 -14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.204 -6.800 -15.513 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.437 -5.629 -14.988 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.123 -5.721 -14.136 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.283 -8.793 -14.150 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.625 -7.794 -12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.597 -9.084 -12.631 1.00 0.00 H new ATOM 105 N ARG A 7 -4.748 -7.495 -12.482 1.00 0.00 N ATOM 106 CA ARG A 7 -5.891 -8.290 -12.884 1.00 0.00 C ATOM 107 C ARG A 7 -7.116 -7.425 -13.143 1.00 0.00 C ATOM 108 O ARG A 7 -7.857 -7.671 -14.091 1.00 0.00 O ATOM 109 CB ARG A 7 -6.240 -9.362 -11.859 1.00 0.00 C ATOM 110 CG ARG A 7 -7.423 -10.198 -12.308 1.00 0.00 C ATOM 111 CD ARG A 7 -7.939 -11.116 -11.232 1.00 0.00 C ATOM 112 NE ARG A 7 -9.140 -11.813 -11.687 1.00 0.00 N ATOM 113 CZ ARG A 7 -9.475 -13.047 -11.325 1.00 0.00 C ATOM 114 NH1 ARG A 7 -8.729 -13.707 -10.447 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -10.564 -13.619 -11.833 1.00 0.00 N ATOM 0 H ARG A 7 -4.410 -7.678 -11.537 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.599 -8.782 -13.812 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.377 -10.008 -11.699 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.468 -8.892 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.227 -9.536 -12.629 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.133 -10.791 -13.175 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.170 -11.841 -10.964 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.163 -10.542 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.763 -11.319 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.899 -13.267 -10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.986 -14.654 -10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.143 -13.110 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.820 -14.566 -11.554 1.00 0.00 H new ATOM 129 N GLN A 8 -7.322 -6.410 -12.307 1.00 0.00 N ATOM 130 CA GLN A 8 -8.498 -5.558 -12.459 1.00 0.00 C ATOM 131 C GLN A 8 -8.507 -4.882 -13.821 1.00 0.00 C ATOM 132 O GLN A 8 -9.516 -4.902 -14.507 1.00 0.00 O ATOM 133 CB GLN A 8 -8.587 -4.500 -11.349 1.00 0.00 C ATOM 134 CG GLN A 8 -8.609 -5.065 -9.932 1.00 0.00 C ATOM 135 CD GLN A 8 -9.624 -6.176 -9.740 1.00 0.00 C ATOM 136 OE1 GLN A 8 -10.660 -6.213 -10.398 1.00 0.00 O ATOM 137 NE2 GLN A 8 -9.329 -7.087 -8.833 1.00 0.00 N ATOM 0 H GLN A 8 -6.705 -6.161 -11.534 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.371 -6.205 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.738 -3.822 -11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.488 -3.906 -11.503 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.617 -5.443 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.827 -4.259 -9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.457 -7.020 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.972 -7.859 -8.657 1.00 0.00 H new ATOM 146 N THR A 9 -7.376 -4.321 -14.233 1.00 0.00 N ATOM 147 CA THR A 9 -7.281 -3.700 -15.546 1.00 0.00 C ATOM 148 C THR A 9 -7.428 -4.732 -16.666 1.00 0.00 C ATOM 149 O THR A 9 -7.904 -4.415 -17.753 1.00 0.00 O ATOM 150 CB THR A 9 -5.951 -2.937 -15.710 1.00 0.00 C ATOM 151 OG1 THR A 9 -4.854 -3.763 -15.281 1.00 0.00 O ATOM 152 CG2 THR A 9 -5.965 -1.653 -14.900 1.00 0.00 C ATOM 0 H THR A 9 -6.519 -4.284 -13.681 1.00 0.00 H new ATOM 0 HA THR A 9 -8.104 -2.989 -15.621 1.00 0.00 H new ATOM 0 HB THR A 9 -5.828 -2.686 -16.764 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.788 -3.737 -14.304 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.017 -1.130 -15.030 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.781 -1.016 -15.242 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.107 -1.890 -13.846 1.00 0.00 H new ATOM 160 N GLY A 10 -7.026 -5.966 -16.386 1.00 0.00 N ATOM 161 CA GLY A 10 -7.157 -7.023 -17.363 1.00 0.00 C ATOM 162 C GLY A 10 -8.606 -7.419 -17.546 1.00 0.00 C ATOM 163 O GLY A 10 -9.107 -7.476 -18.667 1.00 0.00 O ATOM 0 H GLY A 10 -6.612 -6.251 -15.498 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.743 -6.694 -18.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.577 -7.890 -17.046 1.00 0.00 H new ATOM 167 N ASP A 11 -9.271 -7.705 -16.435 1.00 0.00 N ATOM 168 CA ASP A 11 -10.694 -8.039 -16.445 1.00 0.00 C ATOM 169 C ASP A 11 -11.526 -6.912 -17.050 1.00 0.00 C ATOM 170 O ASP A 11 -12.436 -7.164 -17.841 1.00 0.00 O ATOM 171 CB ASP A 11 -11.193 -8.386 -15.036 1.00 0.00 C ATOM 172 CG ASP A 11 -10.858 -9.813 -14.637 1.00 0.00 C ATOM 173 OD1 ASP A 11 -11.064 -10.732 -15.468 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.413 -10.032 -13.490 1.00 0.00 O1- ATOM 0 H ASP A 11 -8.847 -7.713 -15.508 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.817 -8.921 -17.074 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.750 -7.697 -14.317 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.273 -8.243 -14.991 1.00 0.00 H new ATOM 179 N GLU A 12 -11.202 -5.670 -16.688 1.00 0.00 N ATOM 180 CA GLU A 12 -11.896 -4.504 -17.247 1.00 0.00 C ATOM 181 C GLU A 12 -11.691 -4.451 -18.761 1.00 0.00 C ATOM 182 O GLU A 12 -12.615 -4.143 -19.516 1.00 0.00 O ATOM 183 CB GLU A 12 -11.396 -3.201 -16.608 1.00 0.00 C ATOM 184 CG GLU A 12 -11.749 -3.041 -15.133 1.00 0.00 C ATOM 185 CD GLU A 12 -13.240 -2.987 -14.883 1.00 0.00 C ATOM 186 OE1 GLU A 12 -13.880 -2.005 -15.309 1.00 0.00 O ATOM 187 OE2 GLU A 12 -13.777 -3.917 -14.241 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.469 -5.444 -16.015 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.959 -4.605 -17.027 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.313 -3.151 -16.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.811 -2.358 -17.161 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.322 -3.872 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.289 -2.129 -14.752 1.00 0.00 H new ATOM 194 N LEU A 13 -10.473 -4.760 -19.194 1.00 0.00 N ATOM 195 CA LEU A 13 -10.140 -4.801 -20.612 1.00 0.00 C ATOM 196 C LEU A 13 -10.988 -5.852 -21.336 1.00 0.00 C ATOM 197 O LEU A 13 -11.496 -5.601 -22.428 1.00 0.00 O ATOM 198 CB LEU A 13 -8.647 -5.109 -20.784 1.00 0.00 C ATOM 199 CG LEU A 13 -8.108 -5.083 -22.213 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.253 -3.696 -22.814 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.652 -5.523 -22.234 1.00 0.00 C ATOM 0 H LEU A 13 -9.694 -4.988 -18.576 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.357 -3.828 -21.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.080 -4.391 -20.192 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.451 -6.095 -20.363 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.691 -5.779 -22.816 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.863 -3.698 -23.832 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.306 -3.414 -22.829 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.694 -2.979 -22.213 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.280 -5.500 -23.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.059 -4.848 -21.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.573 -6.537 -21.842 1.00 0.00 H new ATOM 213 N VAL A 14 -11.137 -7.025 -20.723 1.00 0.00 N ATOM 214 CA VAL A 14 -11.975 -8.084 -21.289 1.00 0.00 C ATOM 215 C VAL A 14 -13.423 -7.600 -21.432 1.00 0.00 C ATOM 216 O VAL A 14 -14.075 -7.842 -22.449 1.00 0.00 O ATOM 217 CB VAL A 14 -11.941 -9.370 -20.419 1.00 0.00 C ATOM 218 CG1 VAL A 14 -12.836 -10.453 -21.011 1.00 0.00 C ATOM 219 CG2 VAL A 14 -10.515 -9.880 -20.278 1.00 0.00 C ATOM 0 H VAL A 14 -10.691 -7.267 -19.838 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.572 -8.327 -22.272 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.321 -9.118 -19.429 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.794 -11.343 -20.383 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.863 -10.090 -21.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.492 -10.701 -22.015 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.510 -10.782 -19.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.111 -10.109 -21.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.900 -9.115 -19.803 1.00 0.00 H new ATOM 229 N GLN A 15 -13.909 -6.917 -20.404 1.00 0.00 N ATOM 230 CA GLN A 15 -15.258 -6.347 -20.424 1.00 0.00 C ATOM 231 C GLN A 15 -15.411 -5.391 -21.598 1.00 0.00 C ATOM 232 O GLN A 15 -16.401 -5.447 -22.331 1.00 0.00 O ATOM 233 CB GLN A 15 -15.549 -5.610 -19.124 1.00 0.00 C ATOM 234 CG GLN A 15 -15.459 -6.482 -17.895 1.00 0.00 C ATOM 235 CD GLN A 15 -15.561 -5.689 -16.619 1.00 0.00 C ATOM 236 OE1 GLN A 15 -16.245 -4.665 -16.556 1.00 0.00 O ATOM 237 NE2 GLN A 15 -14.879 -6.145 -15.596 1.00 0.00 N ATOM 0 H GLN A 15 -13.392 -6.742 -19.543 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.970 -7.165 -20.533 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.848 -4.782 -19.022 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.548 -5.177 -19.178 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.255 -7.226 -17.922 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.514 -7.026 -17.907 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.325 -6.996 -15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.902 -5.648 -14.705 1.00 0.00 H new ATOM 246 N ALA A 16 -14.417 -4.531 -21.784 1.00 0.00 N ATOM 247 CA ALA A 16 -14.421 -3.579 -22.882 1.00 0.00 C ATOM 248 C ALA A 16 -14.383 -4.299 -24.224 1.00 0.00 C ATOM 249 O ALA A 16 -15.050 -3.897 -25.169 1.00 0.00 O ATOM 250 CB ALA A 16 -13.244 -2.624 -22.758 1.00 0.00 C ATOM 0 H ALA A 16 -13.594 -4.475 -21.183 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.345 -3.003 -22.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.260 -1.917 -23.587 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.314 -2.080 -21.816 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.313 -3.190 -22.782 1.00 0.00 H new ATOM 256 N PHE A 17 -13.605 -5.372 -24.291 1.00 0.00 N ATOM 257 CA PHE A 17 -13.496 -6.170 -25.507 1.00 0.00 C ATOM 258 C PHE A 17 -14.843 -6.801 -25.861 1.00 0.00 C ATOM 259 O PHE A 17 -15.243 -6.827 -27.026 1.00 0.00 O ATOM 260 CB PHE A 17 -12.424 -7.256 -25.343 1.00 0.00 C ATOM 261 CG PHE A 17 -12.250 -8.130 -26.557 1.00 0.00 C ATOM 262 CD1 PHE A 17 -11.562 -7.667 -27.666 1.00 0.00 C ATOM 263 CD2 PHE A 17 -12.774 -9.414 -26.585 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.400 -8.466 -28.780 1.00 0.00 C ATOM 265 CE2 PHE A 17 -12.614 -10.218 -27.698 1.00 0.00 C ATOM 266 CZ PHE A 17 -11.926 -9.743 -28.796 1.00 0.00 C ATOM 0 H PHE A 17 -13.038 -5.711 -23.514 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.200 -5.511 -26.323 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.471 -6.780 -25.110 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.684 -7.883 -24.490 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.148 -6.670 -27.659 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.313 -9.790 -25.728 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.862 -8.093 -29.639 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.027 -11.216 -27.708 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.799 -10.369 -29.667 1.00 0.00 H new ATOM 276 N GLN A 18 -15.545 -7.295 -24.851 1.00 0.00 N ATOM 277 CA GLN A 18 -16.847 -7.905 -25.065 1.00 0.00 C ATOM 278 C GLN A 18 -17.874 -6.857 -25.481 1.00 0.00 C ATOM 279 O GLN A 18 -18.785 -7.143 -26.262 1.00 0.00 O ATOM 280 CB GLN A 18 -17.307 -8.666 -23.824 1.00 0.00 C ATOM 281 CG GLN A 18 -16.403 -9.838 -23.473 1.00 0.00 C ATOM 282 CD GLN A 18 -16.940 -10.677 -22.336 1.00 0.00 C ATOM 283 OE1 GLN A 18 -17.684 -11.636 -22.554 1.00 0.00 O ATOM 284 NE2 GLN A 18 -16.569 -10.331 -21.120 1.00 0.00 N ATOM 0 H GLN A 18 -15.235 -7.285 -23.879 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.754 -8.625 -25.878 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.347 -7.980 -22.978 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.321 -9.032 -23.985 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.275 -10.468 -24.353 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.416 -9.461 -23.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.952 -9.530 -20.983 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.899 -10.864 -20.315 1.00 0.00 H new ATOM 293 N ARG A 19 -17.722 -5.639 -24.968 1.00 0.00 N ATOM 294 CA ARG A 19 -18.589 -4.534 -25.359 1.00 0.00 C ATOM 295 C ARG A 19 -18.276 -4.132 -26.788 1.00 0.00 C ATOM 296 O ARG A 19 -19.165 -3.774 -27.562 1.00 0.00 O ATOM 297 CB ARG A 19 -18.386 -3.320 -24.437 1.00 0.00 C ATOM 298 CG ARG A 19 -18.921 -3.492 -23.022 1.00 0.00 C ATOM 299 CD ARG A 19 -20.411 -3.790 -23.024 1.00 0.00 C ATOM 300 NE ARG A 19 -21.164 -2.851 -23.862 1.00 0.00 N ATOM 301 CZ ARG A 19 -22.287 -3.165 -24.511 1.00 0.00 C ATOM 302 NH1 ARG A 19 -22.842 -4.354 -24.342 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -22.867 -2.284 -25.314 1.00 0.00 N ATOM 0 H ARG A 19 -17.008 -5.394 -24.282 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.625 -4.863 -25.277 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.320 -3.098 -24.382 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.869 -2.454 -24.889 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.387 -4.302 -22.526 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.731 -2.586 -22.447 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -20.576 -4.806 -23.382 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -20.790 -3.747 -22.003 1.00 0.00 H new ATOM 0 HE ARG A 19 -20.808 -1.900 -23.954 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.412 -5.033 -23.714 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -23.700 -4.591 -24.839 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -22.455 -1.359 -25.439 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -23.725 -2.531 -25.807 1.00 0.00 H new ATOM 317 N LEU A 20 -16.995 -4.225 -27.123 1.00 0.00 N ATOM 318 CA LEU A 20 -16.481 -3.838 -28.423 1.00 0.00 C ATOM 319 C LEU A 20 -17.132 -4.641 -29.535 1.00 0.00 C ATOM 320 O LEU A 20 -17.551 -4.076 -30.545 1.00 0.00 O ATOM 321 CB LEU A 20 -14.962 -4.043 -28.461 1.00 0.00 C ATOM 322 CG LEU A 20 -14.251 -3.599 -29.739 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.203 -2.085 -29.825 1.00 0.00 C ATOM 324 CD2 LEU A 20 -12.850 -4.189 -29.801 1.00 0.00 C ATOM 0 H LEU A 20 -16.278 -4.576 -26.488 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.716 -2.785 -28.580 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.523 -3.505 -27.621 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.756 -5.102 -28.305 1.00 0.00 H new ATOM 0 HG LEU A 20 -14.815 -3.969 -30.595 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.693 -1.789 -30.742 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.218 -1.688 -29.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.663 -1.689 -28.965 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.358 -3.863 -30.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.274 -3.850 -28.940 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.913 -5.277 -29.791 1.00 0.00 H new ATOM 336 N ARG A 21 -17.232 -5.958 -29.353 1.00 0.00 N ATOM 337 CA ARG A 21 -17.813 -6.787 -30.390 1.00 0.00 C ATOM 338 C ARG A 21 -19.287 -6.495 -30.585 1.00 0.00 C ATOM 339 O ARG A 21 -19.755 -6.453 -31.708 1.00 0.00 O ATOM 340 CB ARG A 21 -17.629 -8.284 -30.156 1.00 0.00 C ATOM 341 CG ARG A 21 -18.275 -9.083 -31.280 1.00 0.00 C ATOM 342 CD ARG A 21 -18.306 -10.566 -31.036 1.00 0.00 C ATOM 343 NE ARG A 21 -19.074 -11.244 -32.091 1.00 0.00 N ATOM 344 CZ ARG A 21 -19.003 -12.552 -32.352 1.00 0.00 C ATOM 345 NH1 ARG A 21 -18.196 -13.334 -31.636 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -19.737 -13.077 -33.325 1.00 0.00 N ATOM 0 H ARG A 21 -16.925 -6.457 -28.518 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.262 -6.523 -31.293 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.567 -8.521 -30.097 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.072 -8.566 -29.201 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.295 -8.728 -31.425 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -17.735 -8.889 -32.207 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.289 -10.958 -31.009 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.753 -10.772 -30.063 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.702 -10.678 -32.661 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.631 -12.934 -30.887 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.143 -14.333 -31.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.356 -12.481 -33.875 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.682 -14.076 -33.523 1.00 0.00 H new ATOM 360 N GLU A 22 -20.015 -6.266 -29.495 1.00 0.00 N ATOM 361 CA GLU A 22 -21.434 -6.038 -29.595 1.00 0.00 C ATOM 362 C GLU A 22 -21.698 -4.802 -30.434 1.00 0.00 C ATOM 363 O GLU A 22 -22.490 -4.837 -31.368 1.00 0.00 O ATOM 364 CB GLU A 22 -22.041 -5.884 -28.207 1.00 0.00 C ATOM 365 CG GLU A 22 -23.540 -5.773 -28.230 1.00 0.00 C ATOM 366 CD GLU A 22 -24.143 -5.668 -26.852 1.00 0.00 C ATOM 367 OE1 GLU A 22 -24.232 -6.705 -26.157 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.539 -4.551 -26.453 1.00 0.00 O1- ATOM 0 H GLU A 22 -19.641 -6.236 -28.547 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.901 -6.896 -30.079 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -21.755 -6.739 -27.595 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -21.624 -4.997 -27.731 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -23.825 -4.898 -28.813 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -23.956 -6.643 -28.737 1.00 0.00 H new ATOM 375 N ILE A 23 -21.031 -3.715 -30.090 1.00 0.00 N ATOM 376 CA ILE A 23 -21.087 -2.484 -30.867 1.00 0.00 C ATOM 377 C ILE A 23 -20.687 -2.734 -32.331 1.00 0.00 C ATOM 378 O ILE A 23 -21.255 -2.142 -33.254 1.00 0.00 O ATOM 379 CB ILE A 23 -20.154 -1.429 -30.244 1.00 0.00 C ATOM 380 CG1 ILE A 23 -20.573 -1.155 -28.802 1.00 0.00 C ATOM 381 CG2 ILE A 23 -20.180 -0.147 -31.052 1.00 0.00 C ATOM 382 CD1 ILE A 23 -19.597 -0.297 -28.043 1.00 0.00 C ATOM 0 H ILE A 23 -20.434 -3.658 -29.265 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.114 -2.118 -30.851 1.00 0.00 H new ATOM 0 HB ILE A 23 -19.135 -1.815 -30.252 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -21.548 -0.668 -28.802 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -20.691 -2.105 -28.280 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.514 0.585 -30.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -19.849 -0.352 -32.070 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -21.195 0.249 -31.073 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.960 -0.144 -27.027 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -18.626 -0.792 -28.011 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.497 0.667 -28.541 1.00 0.00 H new ATOM 394 N PHE A 24 -19.728 -3.629 -32.523 1.00 0.00 N ATOM 395 CA PHE A 24 -19.254 -3.985 -33.858 1.00 0.00 C ATOM 396 C PHE A 24 -20.356 -4.731 -34.618 1.00 0.00 C ATOM 397 O PHE A 24 -20.656 -4.416 -35.772 1.00 0.00 O ATOM 398 CB PHE A 24 -17.984 -4.844 -33.769 1.00 0.00 C ATOM 399 CG PHE A 24 -17.486 -5.347 -35.097 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.775 -4.517 -35.946 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.729 -6.655 -35.493 1.00 0.00 C ATOM 402 CE1 PHE A 24 -16.317 -4.979 -37.163 1.00 0.00 C ATOM 403 CE2 PHE A 24 -17.273 -7.122 -36.710 1.00 0.00 C ATOM 404 CZ PHE A 24 -16.566 -6.282 -37.546 1.00 0.00 C ATOM 0 H PHE A 24 -19.258 -4.126 -31.766 1.00 0.00 H new ATOM 0 HA PHE A 24 -19.007 -3.072 -34.400 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.195 -4.259 -33.296 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.181 -5.698 -33.120 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.576 -3.497 -35.653 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.282 -7.316 -34.841 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -15.763 -4.321 -37.816 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.469 -8.142 -37.007 1.00 0.00 H new ATOM 0 HZ PHE A 24 -16.208 -6.643 -38.499 1.00 0.00 H new ATOM 414 N ASP A 25 -20.960 -5.716 -33.948 1.00 0.00 N ATOM 415 CA ASP A 25 -22.070 -6.494 -34.515 1.00 0.00 C ATOM 416 C ASP A 25 -23.272 -5.587 -34.792 1.00 0.00 C ATOM 417 O ASP A 25 -24.130 -5.910 -35.611 1.00 0.00 O ATOM 418 CB ASP A 25 -22.517 -7.622 -33.553 1.00 0.00 C ATOM 419 CG ASP A 25 -21.466 -8.698 -33.282 1.00 0.00 C ATOM 420 OD1 ASP A 25 -20.973 -9.336 -34.238 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.174 -8.953 -32.103 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.697 -5.997 -33.003 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.712 -6.937 -35.445 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.809 -7.174 -32.603 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.405 -8.100 -33.966 1.00 0.00 H new ATOM 426 N LYS A 26 -23.321 -4.448 -34.103 1.00 0.00 N ATOM 427 CA LYS A 26 -24.413 -3.488 -34.253 1.00 0.00 C ATOM 428 C LYS A 26 -24.063 -2.418 -35.281 1.00 0.00 C ATOM 429 O LYS A 26 -24.877 -1.541 -35.575 1.00 0.00 O ATOM 430 CB LYS A 26 -24.725 -2.820 -32.907 1.00 0.00 C ATOM 431 CG LYS A 26 -25.327 -3.756 -31.871 1.00 0.00 C ATOM 432 CD LYS A 26 -25.352 -3.122 -30.482 1.00 0.00 C ATOM 433 CE LYS A 26 -26.269 -1.905 -30.415 1.00 0.00 C ATOM 434 NZ LYS A 26 -27.695 -2.258 -30.646 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.609 -4.166 -33.429 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.291 -4.033 -34.600 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.806 -2.393 -32.504 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.414 -1.992 -33.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -26.342 -4.022 -32.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.751 -4.681 -31.838 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -25.682 -3.863 -29.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -24.341 -2.827 -30.202 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.168 -1.431 -29.439 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.953 -1.174 -31.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.296 -1.438 -30.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.829 -2.527 -31.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.959 -3.056 -30.033 1.00 0.00 H new ATOM 448 N GLY A 27 -22.852 -2.504 -35.831 1.00 0.00 N ATOM 449 CA GLY A 27 -22.388 -1.526 -36.805 1.00 0.00 C ATOM 450 C GLY A 27 -22.405 -0.094 -36.297 1.00 0.00 C ATOM 451 O GLY A 27 -22.546 0.840 -37.084 1.00 0.00 O ATOM 0 H GLY A 27 -22.179 -3.240 -35.617 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.372 -1.782 -37.106 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -23.011 -1.592 -37.697 1.00 0.00 H new ATOM 455 N ASP A 28 -22.264 0.094 -34.997 1.00 0.00 N ATOM 456 CA ASP A 28 -22.306 1.439 -34.445 1.00 0.00 C ATOM 457 C ASP A 28 -20.915 2.025 -34.298 1.00 0.00 C ATOM 458 O ASP A 28 -20.312 1.993 -33.227 1.00 0.00 O ATOM 459 CB ASP A 28 -23.058 1.485 -33.126 1.00 0.00 C ATOM 460 CG ASP A 28 -23.335 2.906 -32.688 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.644 3.398 -31.793 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.251 3.540 -33.249 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.122 -0.650 -34.314 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.854 2.056 -35.157 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -24.000 0.945 -33.225 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -22.477 0.974 -32.358 1.00 0.00 H new ATOM 467 N ASP A 29 -20.401 2.530 -35.402 1.00 0.00 N ATOM 468 CA ASP A 29 -19.073 3.145 -35.454 1.00 0.00 C ATOM 469 C ASP A 29 -18.943 4.295 -34.457 1.00 0.00 C ATOM 470 O ASP A 29 -17.842 4.601 -33.993 1.00 0.00 O ATOM 471 CB ASP A 29 -18.805 3.673 -36.864 1.00 0.00 C ATOM 472 CG ASP A 29 -18.903 2.599 -37.924 1.00 0.00 C ATOM 473 OD1 ASP A 29 -17.856 2.126 -38.403 1.00 0.00 O ATOM 474 OD2 ASP A 29 -20.040 2.231 -38.295 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.889 2.529 -36.298 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.343 2.380 -35.190 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.517 4.466 -37.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.811 4.119 -36.897 1.00 0.00 H new ATOM 479 N ASP A 30 -20.068 4.923 -34.127 1.00 0.00 N ATOM 480 CA ASP A 30 -20.078 6.062 -33.210 1.00 0.00 C ATOM 481 C ASP A 30 -19.637 5.662 -31.811 1.00 0.00 C ATOM 482 O ASP A 30 -18.779 6.310 -31.216 1.00 0.00 O ATOM 483 CB ASP A 30 -21.468 6.695 -33.148 1.00 0.00 C ATOM 484 CG ASP A 30 -21.869 7.348 -34.446 1.00 0.00 C ATOM 485 OD1 ASP A 30 -22.544 6.689 -35.267 1.00 0.00 O ATOM 486 OD2 ASP A 30 -21.510 8.522 -34.660 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.988 4.662 -34.482 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.367 6.791 -33.597 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.200 5.930 -32.890 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.489 7.438 -32.351 1.00 0.00 H new ATOM 491 N SER A 31 -20.220 4.605 -31.283 1.00 0.00 N ATOM 492 CA SER A 31 -19.854 4.122 -29.968 1.00 0.00 C ATOM 493 C SER A 31 -18.517 3.390 -30.023 1.00 0.00 C ATOM 494 O SER A 31 -17.741 3.417 -29.065 1.00 0.00 O ATOM 495 CB SER A 31 -20.952 3.206 -29.416 1.00 0.00 C ATOM 496 OG SER A 31 -20.645 2.747 -28.107 1.00 0.00 O ATOM 0 H SER A 31 -20.950 4.064 -31.746 1.00 0.00 H new ATOM 0 HA SER A 31 -19.748 4.975 -29.298 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.900 3.743 -29.400 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.081 2.351 -30.080 1.00 0.00 H new ATOM 0 HG SER A 31 -21.367 2.167 -27.786 1.00 0.00 H new ATOM 502 N LEU A 32 -18.252 2.754 -31.161 1.00 0.00 N ATOM 503 CA LEU A 32 -17.045 1.959 -31.357 1.00 0.00 C ATOM 504 C LEU A 32 -15.781 2.804 -31.192 1.00 0.00 C ATOM 505 O LEU A 32 -14.855 2.401 -30.490 1.00 0.00 O ATOM 506 CB LEU A 32 -17.076 1.341 -32.761 1.00 0.00 C ATOM 507 CG LEU A 32 -16.068 0.229 -33.037 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.433 -1.024 -32.261 1.00 0.00 C ATOM 509 CD2 LEU A 32 -15.998 -0.066 -34.527 1.00 0.00 C ATOM 0 H LEU A 32 -18.869 2.776 -31.973 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.021 1.176 -30.599 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.077 0.946 -32.938 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.914 2.137 -33.488 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.085 0.563 -32.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.704 -1.807 -32.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.433 -0.804 -31.194 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.424 -1.362 -32.562 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.275 -0.861 -34.707 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.979 -0.381 -34.882 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.690 0.832 -35.062 1.00 0.00 H new ATOM 521 N GLU A 33 -15.755 3.980 -31.817 1.00 0.00 N ATOM 522 CA GLU A 33 -14.587 4.861 -31.735 1.00 0.00 C ATOM 523 C GLU A 33 -14.306 5.260 -30.279 1.00 0.00 C ATOM 524 O GLU A 33 -13.156 5.303 -29.844 1.00 0.00 O ATOM 525 CB GLU A 33 -14.784 6.111 -32.614 1.00 0.00 C ATOM 526 CG GLU A 33 -15.938 7.003 -32.180 1.00 0.00 C ATOM 527 CD GLU A 33 -16.165 8.170 -33.111 1.00 0.00 C ATOM 528 OE1 GLU A 33 -15.299 9.061 -33.176 1.00 0.00 O ATOM 529 OE2 GLU A 33 -17.222 8.208 -33.775 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.522 4.344 -32.382 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.722 4.313 -32.110 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.864 6.696 -32.606 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.951 5.795 -33.644 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.849 6.407 -32.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.741 7.379 -31.176 1.00 0.00 H new ATOM 536 N GLN A 34 -15.371 5.529 -29.538 1.00 0.00 N ATOM 537 CA GLN A 34 -15.266 5.920 -28.139 1.00 0.00 C ATOM 538 C GLN A 34 -14.708 4.790 -27.286 1.00 0.00 C ATOM 539 O GLN A 34 -13.879 5.018 -26.405 1.00 0.00 O ATOM 540 CB GLN A 34 -16.628 6.357 -27.611 1.00 0.00 C ATOM 541 CG GLN A 34 -17.194 7.571 -28.326 1.00 0.00 C ATOM 542 CD GLN A 34 -16.323 8.805 -28.169 1.00 0.00 C ATOM 543 OE1 GLN A 34 -15.669 8.933 -27.028 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -16.258 9.648 -29.059 1.00 0.00 N flip ATOM 0 H GLN A 34 -16.328 5.483 -29.887 1.00 0.00 H new ATOM 0 HA GLN A 34 -14.573 6.759 -28.077 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.329 5.528 -27.708 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -16.542 6.579 -26.547 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.306 7.343 -29.386 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -18.190 7.783 -27.939 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.777 9.515 -29.927 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.685 10.482 -28.931 1.00 0.00 H new ATOM 553 N VAL A 35 -15.156 3.574 -27.558 1.00 0.00 N ATOM 554 CA VAL A 35 -14.700 2.399 -26.827 1.00 0.00 C ATOM 555 C VAL A 35 -13.230 2.104 -27.125 1.00 0.00 C ATOM 556 O VAL A 35 -12.492 1.656 -26.251 1.00 0.00 O ATOM 557 CB VAL A 35 -15.585 1.160 -27.137 1.00 0.00 C ATOM 558 CG1 VAL A 35 -14.994 -0.110 -26.546 1.00 0.00 C ATOM 559 CG2 VAL A 35 -16.988 1.379 -26.597 1.00 0.00 C ATOM 0 H VAL A 35 -15.841 3.373 -28.286 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.794 2.617 -25.763 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.625 1.038 -28.219 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.639 -0.956 -26.783 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.003 -0.280 -26.967 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.915 -0.005 -25.464 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.603 0.507 -26.818 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.943 1.528 -25.518 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.425 2.260 -27.067 1.00 0.00 H new ATOM 569 N LEU A 36 -12.803 2.386 -28.354 1.00 0.00 N ATOM 570 CA LEU A 36 -11.413 2.157 -28.749 1.00 0.00 C ATOM 571 C LEU A 36 -10.469 2.975 -27.871 1.00 0.00 C ATOM 572 O LEU A 36 -9.400 2.502 -27.489 1.00 0.00 O ATOM 573 CB LEU A 36 -11.197 2.527 -30.221 1.00 0.00 C ATOM 574 CG LEU A 36 -11.985 1.707 -31.244 1.00 0.00 C ATOM 575 CD1 LEU A 36 -11.761 2.253 -32.642 1.00 0.00 C ATOM 576 CD2 LEU A 36 -11.588 0.240 -31.178 1.00 0.00 C ATOM 0 H LEU A 36 -13.395 2.771 -29.090 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.196 1.097 -28.618 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.455 3.578 -30.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.135 2.429 -30.447 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.045 1.786 -31.004 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.328 1.660 -33.359 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.094 3.290 -32.685 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.700 2.202 -32.887 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.160 -0.325 -31.914 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.524 0.141 -31.392 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.795 -0.148 -30.181 1.00 0.00 H new ATOM 588 N GLU A 37 -10.890 4.187 -27.526 1.00 0.00 N ATOM 589 CA GLU A 37 -10.098 5.058 -26.666 1.00 0.00 C ATOM 590 C GLU A 37 -10.040 4.482 -25.255 1.00 0.00 C ATOM 591 O GLU A 37 -9.009 4.544 -24.588 1.00 0.00 O ATOM 592 CB GLU A 37 -10.700 6.467 -26.630 1.00 0.00 C ATOM 593 CG GLU A 37 -10.684 7.190 -27.970 1.00 0.00 C ATOM 594 CD GLU A 37 -9.284 7.540 -28.431 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.784 8.626 -28.065 1.00 0.00 O ATOM 596 OE2 GLU A 37 -8.677 6.745 -29.167 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.777 4.589 -27.830 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.087 5.121 -27.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.730 6.401 -26.279 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.152 7.065 -25.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.163 6.563 -28.722 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.275 8.103 -27.892 1.00 0.00 H new ATOM 603 N GLU A 38 -11.151 3.894 -24.824 1.00 0.00 N ATOM 604 CA GLU A 38 -11.247 3.288 -23.504 1.00 0.00 C ATOM 605 C GLU A 38 -10.335 2.073 -23.421 1.00 0.00 C ATOM 606 O GLU A 38 -9.596 1.897 -22.456 1.00 0.00 O ATOM 607 CB GLU A 38 -12.691 2.856 -23.242 1.00 0.00 C ATOM 608 CG GLU A 38 -13.686 3.998 -23.221 1.00 0.00 C ATOM 609 CD GLU A 38 -13.478 4.921 -22.048 1.00 0.00 C ATOM 610 OE1 GLU A 38 -13.879 4.555 -20.923 1.00 0.00 O ATOM 611 OE2 GLU A 38 -12.930 6.013 -22.239 1.00 0.00 O1- ATOM 0 H GLU A 38 -12.005 3.825 -25.377 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.941 4.019 -22.755 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.990 2.142 -24.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.734 2.333 -22.287 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.601 4.567 -24.147 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.698 3.594 -23.187 1.00 0.00 H new ATOM 618 N ILE A 39 -10.389 1.255 -24.459 1.00 0.00 N ATOM 619 CA ILE A 39 -9.584 0.049 -24.523 1.00 0.00 C ATOM 620 C ILE A 39 -8.101 0.393 -24.500 1.00 0.00 C ATOM 621 O ILE A 39 -7.341 -0.175 -23.717 1.00 0.00 O ATOM 622 CB ILE A 39 -9.908 -0.798 -25.778 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.370 -1.250 -25.743 1.00 0.00 C ATOM 624 CG2 ILE A 39 -8.980 -2.006 -25.863 1.00 0.00 C ATOM 625 CD1 ILE A 39 -11.786 -2.069 -26.943 1.00 0.00 C ATOM 0 H ILE A 39 -10.986 1.406 -25.272 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.830 -0.547 -23.644 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.751 -0.183 -26.664 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.537 -1.836 -24.839 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.011 -0.371 -25.676 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.223 -2.589 -26.751 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.946 -1.667 -25.923 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.108 -2.626 -24.976 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.834 -2.352 -26.845 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.652 -1.479 -27.850 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.172 -2.968 -27.001 1.00 0.00 H new ATOM 637 N GLU A 40 -7.698 1.345 -25.336 1.00 0.00 N ATOM 638 CA GLU A 40 -6.307 1.775 -25.381 1.00 0.00 C ATOM 639 C GLU A 40 -5.850 2.347 -24.041 1.00 0.00 C ATOM 640 O GLU A 40 -4.714 2.122 -23.623 1.00 0.00 O ATOM 641 CB GLU A 40 -6.075 2.780 -26.512 1.00 0.00 C ATOM 642 CG GLU A 40 -6.167 2.159 -27.896 1.00 0.00 C ATOM 643 CD GLU A 40 -5.688 3.085 -28.989 1.00 0.00 C ATOM 644 OE1 GLU A 40 -4.458 3.206 -29.176 1.00 0.00 O ATOM 645 OE2 GLU A 40 -6.531 3.692 -29.676 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.313 1.831 -25.989 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.702 0.892 -25.585 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.808 3.582 -26.432 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.092 3.234 -26.390 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.576 1.243 -27.918 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.201 1.876 -28.094 1.00 0.00 H new ATOM 652 N GLU A 41 -6.740 3.057 -23.358 1.00 0.00 N ATOM 653 CA GLU A 41 -6.416 3.633 -22.064 1.00 0.00 C ATOM 654 C GLU A 41 -6.197 2.538 -21.028 1.00 0.00 C ATOM 655 O GLU A 41 -5.290 2.627 -20.187 1.00 0.00 O ATOM 656 CB GLU A 41 -7.525 4.568 -21.607 1.00 0.00 C ATOM 657 CG GLU A 41 -7.072 6.000 -21.426 1.00 0.00 C ATOM 658 CD GLU A 41 -5.924 6.120 -20.448 1.00 0.00 C ATOM 659 OE1 GLU A 41 -6.167 6.054 -19.224 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.771 6.266 -20.893 1.00 0.00 O1- ATOM 0 H GLU A 41 -7.689 3.246 -23.680 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.493 4.204 -22.167 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.335 4.541 -22.336 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.932 4.202 -20.664 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.769 6.407 -22.390 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.910 6.602 -21.075 1.00 0.00 H new ATOM 667 N LEU A 42 -7.016 1.495 -21.102 1.00 0.00 N ATOM 668 CA LEU A 42 -6.910 0.369 -20.191 1.00 0.00 C ATOM 669 C LEU A 42 -5.622 -0.396 -20.444 1.00 0.00 C ATOM 670 O LEU A 42 -4.985 -0.878 -19.509 1.00 0.00 O ATOM 671 CB LEU A 42 -8.116 -0.568 -20.339 1.00 0.00 C ATOM 672 CG LEU A 42 -9.482 0.036 -19.994 1.00 0.00 C ATOM 673 CD1 LEU A 42 -10.590 -0.972 -20.246 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.511 0.510 -18.549 1.00 0.00 C ATOM 0 H LEU A 42 -7.765 1.409 -21.790 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.897 0.757 -19.172 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.149 -0.926 -21.368 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.955 -1.439 -19.703 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.647 0.898 -20.640 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.552 -0.525 -19.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.587 -1.261 -21.297 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.427 -1.854 -19.627 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.489 0.935 -18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.322 -0.334 -17.885 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.743 1.269 -18.399 1.00 0.00 H new ATOM 686 N ILE A 43 -5.237 -0.497 -21.716 1.00 0.00 N ATOM 687 CA ILE A 43 -4.009 -1.184 -22.090 1.00 0.00 C ATOM 688 C ILE A 43 -2.806 -0.492 -21.464 1.00 0.00 C ATOM 689 O ILE A 43 -1.928 -1.148 -20.899 1.00 0.00 O ATOM 690 CB ILE A 43 -3.824 -1.242 -23.633 1.00 0.00 C ATOM 691 CG1 ILE A 43 -4.950 -2.057 -24.279 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.462 -1.833 -23.992 1.00 0.00 C ATOM 693 CD1 ILE A 43 -4.879 -2.108 -25.794 1.00 0.00 C ATOM 0 H ILE A 43 -5.760 -0.111 -22.502 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.084 -2.206 -21.718 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.868 -0.224 -24.021 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.919 -3.074 -23.889 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.909 -1.631 -23.984 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.353 -1.864 -25.076 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.673 -1.213 -23.566 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.387 -2.843 -23.590 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.708 -2.702 -26.177 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.941 -1.097 -26.195 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.936 -2.562 -26.099 1.00 0.00 H new ATOM 705 N GLN A 44 -2.789 0.838 -21.536 1.00 0.00 N ATOM 706 CA GLN A 44 -1.690 1.621 -20.978 1.00 0.00 C ATOM 707 C GLN A 44 -1.610 1.416 -19.469 1.00 0.00 C ATOM 708 O GLN A 44 -0.551 1.126 -18.930 1.00 0.00 O ATOM 709 CB GLN A 44 -1.909 3.113 -21.262 1.00 0.00 C ATOM 710 CG GLN A 44 -2.040 3.470 -22.735 1.00 0.00 C ATOM 711 CD GLN A 44 -0.745 3.320 -23.498 1.00 0.00 C ATOM 712 OE1 GLN A 44 -0.453 2.265 -24.056 1.00 0.00 O ATOM 713 NE2 GLN A 44 0.041 4.378 -23.527 1.00 0.00 N ATOM 0 H GLN A 44 -3.523 1.394 -21.975 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.762 1.289 -21.443 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.810 3.439 -20.742 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.076 3.675 -20.839 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.799 2.834 -23.191 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.390 4.498 -22.824 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.239 5.235 -23.050 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.930 4.340 -24.026 1.00 0.00 H new ATOM 722 N LYS A 45 -2.759 1.511 -18.814 1.00 0.00 N ATOM 723 CA LYS A 45 -2.847 1.373 -17.358 1.00 0.00 C ATOM 724 C LYS A 45 -2.418 -0.023 -16.908 1.00 0.00 C ATOM 725 O LYS A 45 -1.800 -0.193 -15.853 1.00 0.00 O ATOM 726 CB LYS A 45 -4.274 1.660 -16.894 1.00 0.00 C ATOM 727 CG LYS A 45 -4.419 1.812 -15.388 1.00 0.00 C ATOM 728 CD LYS A 45 -5.866 2.059 -14.990 1.00 0.00 C ATOM 729 CE LYS A 45 -6.416 3.330 -15.623 1.00 0.00 C ATOM 730 NZ LYS A 45 -7.828 3.574 -15.241 1.00 0.00 N1+ ATOM 0 H LYS A 45 -3.655 1.685 -19.270 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.168 2.096 -16.905 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.624 2.573 -17.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.923 0.852 -17.231 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.053 0.912 -14.893 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.799 2.640 -15.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.477 1.208 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.937 2.133 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.806 4.180 -15.318 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.341 3.256 -16.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.164 4.448 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.415 2.775 -15.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.896 3.670 -14.208 1.00 0.00 H new ATOM 744 N HIS A 46 -2.735 -1.007 -17.722 1.00 0.00 N ATOM 745 CA HIS A 46 -2.420 -2.392 -17.425 1.00 0.00 C ATOM 746 C HIS A 46 -0.933 -2.654 -17.664 1.00 0.00 C ATOM 747 O HIS A 46 -0.268 -3.305 -16.861 1.00 0.00 O ATOM 748 CB HIS A 46 -3.294 -3.298 -18.306 1.00 0.00 C ATOM 749 CG HIS A 46 -3.097 -4.775 -18.131 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.488 -5.470 -17.009 1.00 0.00 N ATOM 751 CD2 HIS A 46 -2.605 -5.690 -18.982 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.243 -6.758 -17.186 1.00 0.00 C ATOM 753 NE2 HIS A 46 -2.706 -6.919 -18.382 1.00 0.00 N ATOM 0 H HIS A 46 -3.219 -0.871 -18.610 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.629 -2.609 -16.378 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.340 -3.065 -18.107 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.105 -3.048 -19.350 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.901 -5.057 -16.173 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.202 -5.493 -19.964 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.447 -7.544 -16.474 1.00 0.00 H new ATOM 761 N ARG A 47 -0.422 -2.135 -18.776 1.00 0.00 N ATOM 762 CA ARG A 47 0.985 -2.294 -19.134 1.00 0.00 C ATOM 763 C ARG A 47 1.905 -1.575 -18.149 1.00 0.00 C ATOM 764 O ARG A 47 2.979 -2.069 -17.840 1.00 0.00 O ATOM 765 CB ARG A 47 1.247 -1.764 -20.538 1.00 0.00 C ATOM 766 CG ARG A 47 2.665 -2.015 -21.028 1.00 0.00 C ATOM 767 CD ARG A 47 3.030 -1.072 -22.150 1.00 0.00 C ATOM 768 NE ARG A 47 3.065 0.319 -21.691 1.00 0.00 N ATOM 769 CZ ARG A 47 2.721 1.370 -22.440 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.358 1.197 -23.704 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 2.748 2.596 -21.926 1.00 0.00 N ATOM 0 H ARG A 47 -0.966 -1.596 -19.450 1.00 0.00 H new ATOM 0 HA ARG A 47 1.203 -3.361 -19.098 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.545 -2.229 -21.230 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.050 -0.692 -20.556 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.365 -1.890 -20.202 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.757 -3.046 -21.371 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.003 -1.347 -22.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.307 -1.171 -22.960 1.00 0.00 H new ATOM 0 HE ARG A 47 3.373 0.497 -20.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.341 0.260 -24.106 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.096 2.001 -24.274 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.032 2.736 -20.956 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.485 3.396 -22.501 1.00 0.00 H new ATOM 785 N GLN A 48 1.473 -0.416 -17.652 1.00 0.00 N ATOM 786 CA GLN A 48 2.292 0.373 -16.726 1.00 0.00 C ATOM 787 C GLN A 48 2.652 -0.419 -15.473 1.00 0.00 C ATOM 788 O GLN A 48 3.712 -0.211 -14.884 1.00 0.00 O ATOM 789 CB GLN A 48 1.605 1.692 -16.347 1.00 0.00 C ATOM 790 CG GLN A 48 1.503 2.694 -17.495 1.00 0.00 C ATOM 791 CD GLN A 48 2.851 3.051 -18.112 1.00 0.00 C ATOM 792 OE1 GLN A 48 2.941 3.337 -19.304 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.897 3.048 -17.309 1.00 0.00 N ATOM 0 H GLN A 48 0.567 -0.003 -17.872 1.00 0.00 H new ATOM 0 HA GLN A 48 3.217 0.611 -17.251 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.602 1.474 -15.979 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.154 2.152 -15.525 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.855 2.283 -18.269 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.026 3.604 -17.131 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.784 2.805 -16.325 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.819 3.289 -17.672 1.00 0.00 H new ATOM 802 N LEU A 49 1.779 -1.327 -15.070 1.00 0.00 N ATOM 803 CA LEU A 49 2.040 -2.170 -13.917 1.00 0.00 C ATOM 804 C LEU A 49 3.139 -3.181 -14.239 1.00 0.00 C ATOM 805 O LEU A 49 3.895 -3.601 -13.360 1.00 0.00 O ATOM 806 CB LEU A 49 0.757 -2.874 -13.497 1.00 0.00 C ATOM 807 CG LEU A 49 -0.359 -1.944 -13.024 1.00 0.00 C ATOM 808 CD1 LEU A 49 -1.676 -2.680 -12.961 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.019 -1.351 -11.665 1.00 0.00 C ATOM 0 H LEU A 49 0.883 -1.499 -15.525 1.00 0.00 H new ATOM 0 HA LEU A 49 2.385 -1.552 -13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.389 -3.461 -14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.990 -3.576 -12.696 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.453 -1.131 -13.744 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.457 -2.000 -12.622 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.929 -3.058 -13.951 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.594 -3.514 -12.264 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.825 -0.691 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.104 -2.154 -10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.908 -0.782 -11.738 1.00 0.00 H new ATOM 821 N PHE A 50 3.224 -3.559 -15.509 1.00 0.00 N ATOM 822 CA PHE A 50 4.276 -4.445 -15.980 1.00 0.00 C ATOM 823 C PHE A 50 5.572 -3.655 -16.131 1.00 0.00 C ATOM 824 O PHE A 50 6.666 -4.192 -15.981 1.00 0.00 O ATOM 825 CB PHE A 50 3.888 -5.106 -17.310 1.00 0.00 C ATOM 826 CG PHE A 50 4.936 -6.046 -17.833 1.00 0.00 C ATOM 827 CD1 PHE A 50 5.121 -7.288 -17.252 1.00 0.00 C ATOM 828 CD2 PHE A 50 5.744 -5.682 -18.899 1.00 0.00 C ATOM 829 CE1 PHE A 50 6.089 -8.151 -17.721 1.00 0.00 C ATOM 830 CE2 PHE A 50 6.713 -6.542 -19.374 1.00 0.00 C ATOM 831 CZ PHE A 50 6.886 -7.777 -18.783 1.00 0.00 C ATOM 0 H PHE A 50 2.571 -3.262 -16.234 1.00 0.00 H new ATOM 0 HA PHE A 50 4.421 -5.240 -15.248 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.954 -5.652 -17.178 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.702 -4.330 -18.053 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.499 -7.585 -16.420 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.614 -4.715 -19.363 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.223 -9.117 -17.258 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.335 -6.249 -20.207 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.645 -8.451 -19.152 1.00 0.00 H new ATOM 841 N ASP A 51 5.434 -2.364 -16.432 1.00 0.00 N ATOM 842 CA ASP A 51 6.586 -1.473 -16.517 1.00 0.00 C ATOM 843 C ASP A 51 7.210 -1.345 -15.140 1.00 0.00 C ATOM 844 O ASP A 51 8.397 -1.045 -14.998 1.00 0.00 O ATOM 845 CB ASP A 51 6.186 -0.089 -17.049 1.00 0.00 C ATOM 846 CG ASP A 51 5.951 -0.068 -18.549 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.931 -0.211 -19.307 1.00 0.00 O ATOM 848 OD2 ASP A 51 4.796 0.131 -18.983 1.00 0.00 O1- ATOM 0 H ASP A 51 4.538 -1.915 -16.620 1.00 0.00 H new ATOM 0 HA ASP A 51 7.307 -1.896 -17.216 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.279 0.240 -16.541 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.968 0.628 -16.801 1.00 0.00 H new ATOM 969 N GLU A 60 6.435 -15.071 -21.224 1.00 0.00 N ATOM 970 CA GLU A 60 5.626 -15.479 -22.364 1.00 0.00 C ATOM 971 C GLU A 60 4.254 -14.819 -22.324 1.00 0.00 C ATOM 972 O GLU A 60 3.748 -14.359 -23.347 1.00 0.00 O ATOM 973 CB GLU A 60 5.481 -16.997 -22.418 1.00 0.00 C ATOM 974 CG GLU A 60 4.603 -17.476 -23.561 1.00 0.00 C ATOM 975 CD GLU A 60 4.512 -18.971 -23.636 1.00 0.00 C ATOM 976 OE1 GLU A 60 3.819 -19.571 -22.797 1.00 0.00 O ATOM 977 OE2 GLU A 60 5.122 -19.560 -24.551 1.00 0.00 O1- ATOM 0 HA GLU A 60 6.140 -15.151 -23.267 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.469 -17.446 -22.515 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.062 -17.349 -21.475 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.602 -17.061 -23.443 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.998 -17.093 -24.502 1.00 0.00 H new ATOM 984 N ALA A 61 3.662 -14.768 -21.137 1.00 0.00 N ATOM 985 CA ALA A 61 2.361 -14.141 -20.956 1.00 0.00 C ATOM 986 C ALA A 61 2.438 -12.674 -21.330 1.00 0.00 C ATOM 987 O ALA A 61 1.512 -12.119 -21.926 1.00 0.00 O ATOM 988 CB ALA A 61 1.886 -14.301 -19.518 1.00 0.00 C ATOM 0 H ALA A 61 4.065 -15.155 -20.284 1.00 0.00 H new ATOM 0 HA ALA A 61 1.640 -14.633 -21.609 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.912 -13.826 -19.402 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.804 -15.361 -19.278 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.602 -13.831 -18.844 1.00 0.00 H new ATOM 994 N ALA A 62 3.563 -12.060 -21.002 1.00 0.00 N ATOM 995 CA ALA A 62 3.800 -10.671 -21.325 1.00 0.00 C ATOM 996 C ALA A 62 3.983 -10.501 -22.826 1.00 0.00 C ATOM 997 O ALA A 62 3.497 -9.540 -23.414 1.00 0.00 O ATOM 998 CB ALA A 62 5.021 -10.161 -20.582 1.00 0.00 C ATOM 0 H ALA A 62 4.332 -12.512 -20.507 1.00 0.00 H new ATOM 0 HA ALA A 62 2.934 -10.087 -21.014 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.189 -9.114 -20.834 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.859 -10.255 -19.508 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.893 -10.748 -20.870 1.00 0.00 H new ATOM 1004 N LYS A 63 4.651 -11.474 -23.449 1.00 0.00 N ATOM 1005 CA LYS A 63 4.919 -11.426 -24.879 1.00 0.00 C ATOM 1006 C LYS A 63 3.634 -11.621 -25.656 1.00 0.00 C ATOM 1007 O LYS A 63 3.403 -10.970 -26.679 1.00 0.00 O ATOM 1008 CB LYS A 63 5.936 -12.500 -25.279 1.00 0.00 C ATOM 1009 CG LYS A 63 6.296 -12.478 -26.757 1.00 0.00 C ATOM 1010 CD LYS A 63 7.344 -13.519 -27.093 1.00 0.00 C ATOM 1011 CE LYS A 63 7.756 -13.432 -28.554 1.00 0.00 C ATOM 1012 NZ LYS A 63 8.847 -14.379 -28.880 1.00 0.00 N1+ ATOM 0 H LYS A 63 5.015 -12.304 -22.981 1.00 0.00 H new ATOM 0 HA LYS A 63 5.337 -10.448 -25.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.844 -12.366 -24.691 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.534 -13.481 -25.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.401 -12.657 -27.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.666 -11.489 -27.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.218 -13.378 -26.457 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.953 -14.514 -26.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.894 -13.641 -29.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.079 -12.416 -28.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.098 -14.287 -29.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.679 -14.164 -28.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.531 -15.351 -28.689 1.00 0.00 H new ATOM 1026 N GLN A 64 2.795 -12.515 -25.160 1.00 0.00 N ATOM 1027 CA GLN A 64 1.526 -12.788 -25.782 1.00 0.00 C ATOM 1028 C GLN A 64 0.648 -11.550 -25.684 1.00 0.00 C ATOM 1029 O GLN A 64 -0.060 -11.197 -26.630 1.00 0.00 O ATOM 1030 CB GLN A 64 0.855 -13.987 -25.107 1.00 0.00 C ATOM 1031 CG GLN A 64 -0.268 -14.607 -25.920 1.00 0.00 C ATOM 1032 CD GLN A 64 0.210 -15.142 -27.256 1.00 0.00 C ATOM 1033 OE1 GLN A 64 0.201 -14.437 -28.263 1.00 0.00 O ATOM 1034 NE2 GLN A 64 0.640 -16.389 -27.272 1.00 0.00 N ATOM 0 H GLN A 64 2.979 -13.064 -24.321 1.00 0.00 H new ATOM 0 HA GLN A 64 1.676 -13.035 -26.833 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.609 -14.748 -24.910 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.459 -13.672 -24.141 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.721 -15.417 -25.349 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.045 -13.862 -26.088 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.632 -16.942 -26.415 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.981 -16.800 -28.141 1.00 0.00 H new ATOM 1043 N GLY A 65 0.710 -10.880 -24.530 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.014 -9.641 -24.355 1.00 0.00 C ATOM 1045 C GLY A 65 0.458 -8.569 -25.312 1.00 0.00 C ATOM 1046 O GLY A 65 -0.341 -7.768 -25.789 1.00 0.00 O ATOM 0 H GLY A 65 1.250 -11.179 -23.718 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.079 -9.819 -24.506 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.108 -9.291 -23.330 1.00 0.00 H new ATOM 1050 N ASP A 66 1.758 -8.566 -25.614 1.00 0.00 N ATOM 1051 CA ASP A 66 2.316 -7.612 -26.574 1.00 0.00 C ATOM 1052 C ASP A 66 1.701 -7.840 -27.936 1.00 0.00 C ATOM 1053 O ASP A 66 1.366 -6.894 -28.650 1.00 0.00 O ATOM 1054 CB ASP A 66 3.843 -7.748 -26.687 1.00 0.00 C ATOM 1055 CG ASP A 66 4.595 -7.130 -25.531 1.00 0.00 C ATOM 1056 OD1 ASP A 66 4.448 -5.909 -25.303 1.00 0.00 O ATOM 1057 OD2 ASP A 66 5.364 -7.849 -24.870 1.00 0.00 O1- ATOM 0 H ASP A 66 2.440 -9.209 -25.211 1.00 0.00 H new ATOM 0 HA ASP A 66 2.085 -6.609 -26.215 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.101 -8.805 -26.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.173 -7.281 -27.615 1.00 0.00 H new ATOM 1062 N GLN A 67 1.533 -9.111 -28.285 1.00 0.00 N ATOM 1063 CA GLN A 67 0.962 -9.481 -29.568 1.00 0.00 C ATOM 1064 C GLN A 67 -0.483 -9.028 -29.650 1.00 0.00 C ATOM 1065 O GLN A 67 -0.917 -8.504 -30.668 1.00 0.00 O ATOM 1066 CB GLN A 67 1.047 -10.996 -29.795 1.00 0.00 C ATOM 1067 CG GLN A 67 2.451 -11.578 -29.667 1.00 0.00 C ATOM 1068 CD GLN A 67 3.494 -10.775 -30.419 1.00 0.00 C ATOM 1069 OE1 GLN A 67 3.724 -10.990 -31.609 1.00 0.00 O ATOM 1070 NE2 GLN A 67 4.149 -9.866 -29.725 1.00 0.00 N ATOM 0 H GLN A 67 1.786 -9.902 -27.693 1.00 0.00 H new ATOM 0 HA GLN A 67 1.539 -8.984 -30.348 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.394 -11.495 -29.079 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.662 -11.224 -30.789 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.725 -11.623 -28.613 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.450 -12.602 -30.040 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.928 -9.719 -28.740 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.877 -9.310 -30.173 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.215 -9.216 -28.558 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.618 -8.823 -28.496 1.00 0.00 C ATOM 1081 C TRP A 68 -2.752 -7.319 -28.723 1.00 0.00 C ATOM 1082 O TRP A 68 -3.672 -6.859 -29.399 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.249 -9.219 -27.158 1.00 0.00 C ATOM 1084 CG TRP A 68 -4.743 -9.057 -27.141 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -5.659 -9.982 -27.541 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.493 -7.911 -26.711 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -6.929 -9.489 -27.396 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -6.857 -8.219 -26.886 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.147 -6.658 -26.198 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -7.872 -7.321 -26.567 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.155 -5.768 -25.881 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.502 -6.103 -26.066 1.00 0.00 C ATOM 0 H TRP A 68 -0.859 -9.639 -27.701 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.153 -9.351 -29.285 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.999 -10.257 -26.938 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.814 -8.612 -26.364 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.418 -10.965 -27.919 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -7.788 -9.986 -27.630 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.111 -6.390 -26.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.912 -7.576 -26.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.900 -4.797 -25.484 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.265 -5.384 -25.808 1.00 0.00 H new ATOM 1103 N VAL A 69 -1.806 -6.563 -28.175 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.810 -5.115 -28.316 1.00 0.00 C ATOM 1105 C VAL A 69 -1.555 -4.743 -29.770 1.00 0.00 C ATOM 1106 O VAL A 69 -2.171 -3.827 -30.309 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.742 -4.442 -27.414 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.713 -2.934 -27.634 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.010 -4.753 -25.953 1.00 0.00 C ATOM 0 H VAL A 69 -1.027 -6.931 -27.629 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.789 -4.753 -28.000 1.00 0.00 H new ATOM 0 HB VAL A 69 0.233 -4.846 -27.687 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.044 -2.487 -26.990 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.473 -2.723 -28.676 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.689 -2.512 -27.394 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.252 -4.273 -25.334 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.995 -4.378 -25.676 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.976 -5.831 -25.798 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.675 -5.504 -30.414 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.311 -5.271 -31.784 1.00 0.00 C ATOM 1121 C GLN A 70 -1.504 -5.574 -32.686 1.00 0.00 C ATOM 1122 O GLN A 70 -1.813 -4.820 -33.611 1.00 0.00 O ATOM 1123 CB GLN A 70 0.867 -6.166 -32.139 1.00 0.00 C ATOM 1124 CG GLN A 70 1.384 -5.986 -33.538 1.00 0.00 C ATOM 1125 CD GLN A 70 1.954 -4.604 -33.777 1.00 0.00 C ATOM 1126 OE1 GLN A 70 1.247 -3.688 -34.193 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.235 -4.443 -33.514 1.00 0.00 N ATOM 0 H GLN A 70 -0.200 -6.299 -29.988 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.025 -4.229 -31.926 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.678 -5.973 -31.437 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.570 -7.206 -32.005 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.155 -6.731 -33.735 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.576 -6.169 -34.246 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.788 -5.228 -33.170 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.674 -3.533 -33.654 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.180 -6.680 -32.388 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.364 -7.089 -33.129 1.00 0.00 C ATOM 1138 C LEU A 71 -4.440 -6.021 -33.007 1.00 0.00 C ATOM 1139 O LEU A 71 -5.123 -5.698 -33.974 1.00 0.00 O ATOM 1140 CB LEU A 71 -3.906 -8.414 -32.579 1.00 0.00 C ATOM 1141 CG LEU A 71 -2.936 -9.594 -32.554 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -3.572 -10.786 -31.860 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -2.511 -9.968 -33.957 1.00 0.00 C ATOM 0 H LEU A 71 -1.923 -7.313 -31.631 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.091 -7.221 -34.176 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.259 -8.242 -31.562 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.774 -8.700 -33.173 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.049 -9.296 -31.995 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.869 -11.619 -31.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.829 -10.516 -30.836 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.475 -11.080 -32.396 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.820 -10.810 -33.916 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.388 -10.246 -34.541 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.018 -9.117 -34.427 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.562 -5.464 -31.811 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.550 -4.431 -31.550 1.00 0.00 C ATOM 1157 C PHE A 72 -5.221 -3.158 -32.326 1.00 0.00 C ATOM 1158 O PHE A 72 -6.117 -2.489 -32.846 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.670 -4.128 -30.055 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.748 -3.126 -29.756 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -8.081 -3.504 -29.763 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.432 -1.805 -29.488 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -9.077 -2.585 -29.509 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -7.425 -0.881 -29.231 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.748 -1.271 -29.242 1.00 0.00 C ATOM 0 H PHE A 72 -3.987 -5.712 -31.005 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.514 -4.809 -31.891 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.878 -5.052 -29.516 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.716 -3.751 -29.686 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.343 -4.531 -29.970 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.398 -1.494 -29.480 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -10.112 -2.892 -29.519 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.166 0.146 -29.022 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.526 -0.549 -29.042 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.936 -2.835 -32.419 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.502 -1.653 -33.154 1.00 0.00 C ATOM 1177 C GLN A 73 -3.790 -1.824 -34.637 1.00 0.00 C ATOM 1178 O GLN A 73 -4.139 -0.872 -35.327 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.016 -1.378 -32.921 1.00 0.00 C ATOM 1180 CG GLN A 73 -1.686 -1.000 -31.487 1.00 0.00 C ATOM 1181 CD GLN A 73 -0.214 -0.721 -31.282 1.00 0.00 C ATOM 1182 OE1 GLN A 73 0.565 -1.619 -30.966 1.00 0.00 O ATOM 1183 NE2 GLN A 73 0.179 0.521 -31.462 1.00 0.00 N ATOM 0 H GLN A 73 -3.179 -3.373 -31.996 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.062 -0.794 -32.785 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.444 -2.264 -33.196 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.696 -0.574 -33.583 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.262 -0.118 -31.206 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.995 -1.807 -30.822 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.498 1.237 -31.724 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.161 0.768 -31.340 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.643 -3.049 -35.120 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.956 -3.367 -36.505 1.00 0.00 C ATOM 1194 C ARG A 74 -5.471 -3.338 -36.708 1.00 0.00 C ATOM 1195 O ARG A 74 -5.968 -2.893 -37.744 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.396 -4.744 -36.876 1.00 0.00 C ATOM 1197 CG ARG A 74 -1.881 -4.842 -36.773 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.396 -6.245 -37.099 1.00 0.00 C ATOM 1199 NE ARG A 74 0.067 -6.349 -37.071 1.00 0.00 N ATOM 1200 CZ ARG A 74 0.737 -7.505 -37.029 1.00 0.00 C ATOM 1201 NH1 ARG A 74 0.077 -8.658 -36.970 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 2.063 -7.506 -37.037 1.00 0.00 N ATOM 0 H ARG A 74 -3.308 -3.841 -34.571 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.494 -2.623 -37.154 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.844 -5.495 -36.225 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.697 -4.985 -37.895 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.421 -4.128 -37.456 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.564 -4.570 -35.766 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.822 -6.949 -36.384 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.760 -6.533 -38.085 1.00 0.00 H new ATOM 0 HE ARG A 74 0.608 -5.484 -37.084 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.943 -8.662 -36.957 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.591 -9.539 -36.938 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.573 -6.624 -37.075 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.573 -8.389 -37.005 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.188 -3.823 -35.699 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.645 -3.821 -35.707 1.00 0.00 C ATOM 1218 C PHE A 75 -8.173 -2.395 -35.823 1.00 0.00 C ATOM 1219 O PHE A 75 -9.023 -2.108 -36.665 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.192 -4.493 -34.439 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.696 -4.511 -34.352 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.438 -5.390 -35.123 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.365 -3.651 -33.494 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.816 -5.411 -35.044 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.744 -3.668 -33.411 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.470 -4.549 -34.187 1.00 0.00 C ATOM 0 H PHE A 75 -5.777 -4.226 -34.857 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.986 -4.390 -36.572 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.824 -5.518 -34.397 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.794 -3.975 -33.566 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.932 -6.068 -35.795 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.802 -2.960 -32.884 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.382 -6.101 -35.652 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.253 -2.993 -32.740 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.548 -4.564 -34.124 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.656 -1.499 -34.989 1.00 0.00 N ATOM 1237 CA ARG A 76 -8.063 -0.107 -35.062 1.00 0.00 C ATOM 1238 C ARG A 76 -7.618 0.524 -36.368 1.00 0.00 C ATOM 1239 O ARG A 76 -8.338 1.333 -36.944 1.00 0.00 O ATOM 1240 CB ARG A 76 -7.567 0.745 -33.898 1.00 0.00 C ATOM 1241 CG ARG A 76 -8.039 2.183 -34.056 1.00 0.00 C ATOM 1242 CD ARG A 76 -7.447 3.139 -33.057 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.820 4.517 -33.403 1.00 0.00 N ATOM 1244 CZ ARG A 76 -8.156 5.458 -32.520 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -8.093 5.209 -31.215 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -8.534 6.657 -32.943 1.00 0.00 N ATOM 0 H ARG A 76 -6.966 -1.709 -34.268 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.151 -0.126 -35.005 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.934 0.336 -32.957 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.478 0.715 -33.855 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.793 2.526 -35.061 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.125 2.209 -33.968 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.802 2.898 -32.055 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.362 3.039 -33.044 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.822 4.773 -34.390 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.786 4.294 -30.885 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.351 5.933 -30.545 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.567 6.858 -33.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.791 7.378 -32.269 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.444 0.127 -36.851 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.884 0.712 -38.050 1.00 0.00 C ATOM 1262 C GLU A 77 -6.816 0.450 -39.216 1.00 0.00 C ATOM 1263 O GLU A 77 -7.003 1.299 -40.087 1.00 0.00 O ATOM 1264 CB GLU A 77 -4.511 0.116 -38.334 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.752 0.838 -39.420 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.483 0.125 -39.819 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -2.418 -0.376 -40.959 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.544 0.064 -39.001 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.867 -0.598 -36.425 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.772 1.787 -37.909 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.921 0.132 -37.418 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.630 -0.929 -38.619 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.393 0.946 -40.295 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.506 1.844 -39.079 1.00 0.00 H new ATOM 1275 N ALA A 78 -7.413 -0.731 -39.213 1.00 0.00 N ATOM 1276 CA ALA A 78 -8.373 -1.092 -40.222 1.00 0.00 C ATOM 1277 C ALA A 78 -9.606 -0.201 -40.108 1.00 0.00 C ATOM 1278 O ALA A 78 -10.104 0.294 -41.109 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.744 -2.560 -40.102 1.00 0.00 C ATOM 0 H ALA A 78 -7.242 -1.454 -38.515 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.930 -0.941 -41.206 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.471 -2.816 -40.873 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.851 -3.172 -40.228 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.177 -2.747 -39.119 1.00 0.00 H new ATOM 1285 N ILE A 79 -10.087 0.014 -38.873 1.00 0.00 N ATOM 1286 CA ILE A 79 -11.230 0.906 -38.626 1.00 0.00 C ATOM 1287 C ILE A 79 -10.924 2.327 -39.096 1.00 0.00 C ATOM 1288 O ILE A 79 -11.763 2.974 -39.728 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.587 0.962 -37.110 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.992 -0.419 -36.599 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.704 1.973 -36.853 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.290 -0.463 -35.115 1.00 0.00 C ATOM 0 H ILE A 79 -9.703 -0.417 -38.032 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.073 0.501 -39.186 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.699 1.285 -36.566 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.873 -0.754 -37.146 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.192 -1.126 -36.820 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.937 1.995 -35.788 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -12.380 2.963 -37.174 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.593 1.683 -37.413 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.570 -1.477 -34.830 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.404 -0.161 -34.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -13.111 0.217 -34.888 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.716 2.797 -38.809 1.00 0.00 N ATOM 1305 CA ASP A 80 -9.312 4.143 -39.201 1.00 0.00 C ATOM 1306 C ASP A 80 -9.286 4.260 -40.722 1.00 0.00 C ATOM 1307 O ASP A 80 -9.625 5.300 -41.282 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.923 4.504 -38.630 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.883 4.624 -37.107 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -8.674 5.403 -36.538 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -7.029 3.965 -36.481 1.00 0.00 O1- ATOM 0 H ASP A 80 -9.001 2.269 -38.308 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.042 4.842 -38.792 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.206 3.745 -38.942 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.598 5.448 -39.066 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.886 3.179 -41.378 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.813 3.135 -42.838 1.00 0.00 C ATOM 1318 C LYS A 81 -10.133 2.674 -43.478 1.00 0.00 C ATOM 1319 O LYS A 81 -10.217 2.534 -44.696 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.667 2.221 -43.276 1.00 0.00 C ATOM 1321 CG LYS A 81 -6.291 2.743 -42.895 1.00 0.00 C ATOM 1322 CD LYS A 81 -5.206 1.725 -43.192 1.00 0.00 C ATOM 1323 CE LYS A 81 -3.827 2.284 -42.884 1.00 0.00 C ATOM 1324 NZ LYS A 81 -2.755 1.274 -43.082 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.604 2.312 -40.920 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.626 4.151 -43.185 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.809 1.236 -42.831 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.710 2.091 -44.357 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.086 3.664 -43.441 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.277 2.992 -41.834 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.377 0.825 -42.601 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.256 1.432 -44.241 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.635 3.145 -43.524 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.803 2.640 -41.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.827 1.717 -42.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.884 0.494 -42.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.803 0.903 -44.052 1.00 0.00 H new ATOM 1338 N GLY A 82 -11.157 2.446 -42.658 1.00 0.00 N ATOM 1339 CA GLY A 82 -12.461 2.023 -43.175 1.00 0.00 C ATOM 1340 C GLY A 82 -12.482 0.599 -43.728 1.00 0.00 C ATOM 1341 O GLY A 82 -13.435 0.205 -44.410 1.00 0.00 O ATOM 0 H GLY A 82 -11.113 2.545 -41.644 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.199 2.102 -42.377 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.768 2.711 -43.962 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.446 -0.165 -43.439 1.00 0.00 N ATOM 1346 CA ASP A 83 -11.353 -1.542 -43.918 1.00 0.00 C ATOM 1347 C ASP A 83 -12.181 -2.471 -43.033 1.00 0.00 C ATOM 1348 O ASP A 83 -11.731 -2.906 -41.973 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.894 -2.009 -43.963 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.718 -3.303 -44.738 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -10.229 -4.348 -44.296 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -9.046 -3.281 -45.794 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.653 0.140 -42.874 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.753 -1.576 -44.932 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.281 -1.231 -44.418 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.529 -2.147 -42.945 1.00 0.00 H new ATOM 1357 N LYS A 84 -13.399 -2.745 -43.470 1.00 0.00 N ATOM 1358 CA LYS A 84 -14.324 -3.586 -42.714 1.00 0.00 C ATOM 1359 C LYS A 84 -13.949 -5.060 -42.791 1.00 0.00 C ATOM 1360 O LYS A 84 -14.123 -5.808 -41.824 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.758 -3.384 -43.187 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.318 -2.013 -42.870 1.00 0.00 C ATOM 1363 CD LYS A 84 -17.808 -1.955 -43.143 1.00 0.00 C ATOM 1364 CE LYS A 84 -18.398 -0.636 -42.692 1.00 0.00 C ATOM 1365 NZ LYS A 84 -19.874 -0.616 -42.823 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.776 -2.396 -44.351 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.251 -3.278 -41.671 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.801 -3.544 -44.264 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.393 -4.141 -42.727 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.127 -1.772 -41.824 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.806 -1.260 -43.469 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.990 -2.092 -44.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.307 -2.775 -42.626 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.123 -0.452 -41.653 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.970 0.174 -43.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.238 0.304 -42.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.136 -0.766 -43.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.285 -1.372 -42.239 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.430 -5.464 -43.942 1.00 0.00 N ATOM 1380 CA ASP A 85 -13.068 -6.862 -44.196 1.00 0.00 C ATOM 1381 C ASP A 85 -12.073 -7.383 -43.175 1.00 0.00 C ATOM 1382 O ASP A 85 -12.259 -8.464 -42.604 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.476 -7.015 -45.597 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.482 -6.778 -46.699 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -14.105 -7.755 -47.160 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.646 -5.618 -47.123 1.00 0.00 O1- ATOM 0 H ASP A 85 -13.246 -4.839 -44.727 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.983 -7.449 -44.115 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.649 -6.315 -45.713 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.062 -8.018 -45.702 1.00 0.00 H new ATOM 1391 N SER A 86 -11.026 -6.616 -42.941 1.00 0.00 N ATOM 1392 CA SER A 86 -9.985 -7.001 -42.008 1.00 0.00 C ATOM 1393 C SER A 86 -10.501 -7.060 -40.571 1.00 0.00 C ATOM 1394 O SER A 86 -10.016 -7.852 -39.770 1.00 0.00 O ATOM 1395 CB SER A 86 -8.797 -6.050 -42.116 1.00 0.00 C ATOM 1396 OG SER A 86 -8.374 -5.933 -43.468 1.00 0.00 O ATOM 0 H SER A 86 -10.873 -5.713 -43.390 1.00 0.00 H new ATOM 0 HA SER A 86 -9.658 -8.006 -42.275 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.073 -5.069 -41.729 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.974 -6.415 -41.502 1.00 0.00 H new ATOM 0 HG SER A 86 -9.119 -5.612 -44.017 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.502 -6.237 -40.259 1.00 0.00 N ATOM 1403 CA LEU A 87 -12.029 -6.155 -38.897 1.00 0.00 C ATOM 1404 C LEU A 87 -12.554 -7.496 -38.424 1.00 0.00 C ATOM 1405 O LEU A 87 -12.236 -7.935 -37.324 1.00 0.00 O ATOM 1406 CB LEU A 87 -13.145 -5.113 -38.813 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.743 -3.687 -39.153 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.924 -2.744 -38.997 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.591 -3.249 -38.279 1.00 0.00 C ATOM 0 H LEU A 87 -11.963 -5.620 -40.928 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.206 -5.857 -38.248 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.949 -5.414 -39.484 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.553 -5.125 -37.802 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.422 -3.655 -40.194 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.614 -1.729 -39.245 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.727 -3.052 -39.667 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.279 -2.773 -37.967 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.311 -2.226 -38.531 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.890 -3.296 -37.232 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.739 -3.909 -38.442 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.345 -8.148 -39.257 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.904 -9.449 -38.920 1.00 0.00 C ATOM 1423 C GLU A 88 -12.802 -10.470 -38.619 1.00 0.00 C ATOM 1424 O GLU A 88 -12.864 -11.190 -37.621 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.776 -9.947 -40.070 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.946 -9.034 -40.393 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.790 -9.561 -41.526 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -17.546 -10.527 -41.305 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -16.708 -9.012 -42.639 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.617 -7.798 -40.176 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.511 -9.336 -38.021 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.158 -10.058 -40.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.158 -10.937 -39.821 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.567 -8.916 -39.505 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.570 -8.044 -40.653 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.798 -10.508 -39.473 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.689 -11.444 -39.312 1.00 0.00 C ATOM 1438 C GLN A 89 -9.841 -11.116 -38.080 1.00 0.00 C ATOM 1439 O GLN A 89 -9.500 -12.004 -37.295 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.815 -11.458 -40.566 1.00 0.00 C ATOM 1441 CG GLN A 89 -10.564 -11.858 -41.826 1.00 0.00 C ATOM 1442 CD GLN A 89 -11.216 -13.225 -41.712 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -10.719 -14.110 -41.013 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -12.333 -13.401 -42.382 1.00 0.00 N ATOM 0 H GLN A 89 -11.722 -9.902 -40.290 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.118 -12.435 -39.164 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.384 -10.467 -40.709 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.985 -12.148 -40.412 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.329 -11.112 -42.041 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.873 -11.859 -42.669 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.712 -12.643 -42.950 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.821 -14.296 -42.334 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.520 -9.844 -37.907 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.686 -9.405 -36.790 1.00 0.00 C ATOM 1455 C LEU A 90 -9.404 -9.552 -35.449 1.00 0.00 C ATOM 1456 O LEU A 90 -8.776 -9.843 -34.433 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.235 -7.958 -36.996 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.340 -7.708 -38.214 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -7.069 -6.225 -38.382 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -6.032 -8.476 -38.086 1.00 0.00 C ATOM 0 H LEU A 90 -9.823 -9.092 -38.526 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.809 -10.051 -36.765 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.121 -7.330 -37.084 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.701 -7.633 -36.103 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.864 -8.066 -39.101 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.432 -6.068 -39.252 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.012 -5.696 -38.523 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.568 -5.844 -37.492 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.411 -8.285 -38.961 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.505 -8.151 -37.189 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.242 -9.543 -38.016 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.717 -9.362 -35.452 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.503 -9.468 -34.229 1.00 0.00 C ATOM 1474 C LEU A 91 -11.431 -10.883 -33.664 1.00 0.00 C ATOM 1475 O LEU A 91 -11.239 -11.074 -32.461 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.958 -9.082 -34.494 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.877 -9.080 -33.274 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.433 -8.033 -32.261 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.314 -8.840 -33.695 1.00 0.00 C ATOM 0 H LEU A 91 -11.259 -9.134 -36.285 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.085 -8.779 -33.495 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.975 -8.088 -34.940 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.368 -9.770 -35.233 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.814 -10.058 -32.798 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.103 -8.051 -31.401 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.417 -8.252 -31.933 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.461 -7.046 -32.722 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.956 -8.841 -32.814 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.390 -7.876 -34.198 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.630 -9.630 -34.376 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.575 -11.870 -34.539 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.493 -13.262 -34.130 1.00 0.00 C ATOM 1493 C GLU A 92 -10.099 -13.600 -33.634 1.00 0.00 C ATOM 1494 O GLU A 92 -9.939 -14.340 -32.662 1.00 0.00 O ATOM 1495 CB GLU A 92 -11.891 -14.189 -35.272 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.352 -14.081 -35.659 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.735 -15.064 -36.734 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.832 -16.269 -36.431 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.948 -14.641 -37.886 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.749 -11.731 -35.534 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.194 -13.410 -33.309 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.275 -13.964 -36.143 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.675 -15.218 -34.986 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.972 -14.250 -34.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.559 -13.069 -36.005 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.089 -13.048 -34.294 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.709 -13.267 -33.899 1.00 0.00 C ATOM 1508 C GLU A 93 -7.464 -12.694 -32.498 1.00 0.00 C ATOM 1509 O GLU A 93 -6.761 -13.295 -31.679 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.768 -12.639 -34.929 1.00 0.00 C ATOM 1511 CG GLU A 93 -5.297 -12.889 -34.666 1.00 0.00 C ATOM 1512 CD GLU A 93 -4.429 -12.478 -35.831 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -4.473 -11.299 -36.233 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -3.689 -13.338 -36.360 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.203 -12.444 -35.108 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.508 -14.338 -33.863 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.019 -13.026 -35.916 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.943 -11.563 -34.955 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.991 -12.339 -33.776 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.142 -13.947 -34.456 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.076 -11.543 -32.222 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.988 -10.918 -30.905 1.00 0.00 C ATOM 1523 C LEU A 94 -8.586 -11.834 -29.846 1.00 0.00 C ATOM 1524 O LEU A 94 -8.025 -11.999 -28.764 1.00 0.00 O ATOM 1525 CB LEU A 94 -8.728 -9.575 -30.893 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.026 -8.410 -31.586 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.968 -7.223 -31.713 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.787 -8.010 -30.807 1.00 0.00 C ATOM 0 H LEU A 94 -8.639 -11.024 -32.896 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.935 -10.745 -30.682 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.701 -9.716 -31.363 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.912 -9.295 -29.856 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.729 -8.728 -32.585 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.452 -6.401 -32.209 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.840 -7.512 -32.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.288 -6.905 -30.721 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.294 -7.178 -31.310 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.073 -7.707 -29.800 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.103 -8.857 -30.751 1.00 0.00 H new ATOM 1540 N GLU A 95 -9.733 -12.421 -30.171 1.00 0.00 N ATOM 1541 CA GLU A 95 -10.430 -13.340 -29.274 1.00 0.00 C ATOM 1542 C GLU A 95 -9.555 -14.556 -28.948 1.00 0.00 C ATOM 1543 O GLU A 95 -9.436 -14.954 -27.788 1.00 0.00 O ATOM 1544 CB GLU A 95 -11.744 -13.794 -29.929 1.00 0.00 C ATOM 1545 CG GLU A 95 -12.591 -14.731 -29.080 1.00 0.00 C ATOM 1546 CD GLU A 95 -13.155 -14.064 -27.844 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -12.650 -14.335 -26.732 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -14.116 -13.284 -27.974 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.206 -12.274 -31.062 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.647 -12.821 -28.340 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.336 -12.912 -30.172 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.511 -14.291 -30.871 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.412 -15.117 -29.684 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.986 -15.587 -28.780 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.923 -15.121 -29.973 1.00 0.00 N ATOM 1556 CA GLN A 96 -8.074 -16.303 -29.803 1.00 0.00 C ATOM 1557 C GLN A 96 -6.872 -15.996 -28.915 1.00 0.00 C ATOM 1558 O GLN A 96 -6.516 -16.780 -28.032 1.00 0.00 O ATOM 1559 CB GLN A 96 -7.592 -16.809 -31.164 1.00 0.00 C ATOM 1560 CG GLN A 96 -8.710 -17.243 -32.095 1.00 0.00 C ATOM 1561 CD GLN A 96 -8.198 -17.675 -33.456 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -7.184 -17.173 -33.941 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -8.889 -18.611 -34.075 1.00 0.00 N ATOM 0 H GLN A 96 -8.981 -14.781 -30.933 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.671 -17.076 -29.320 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.015 -16.022 -31.649 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.916 -17.650 -31.009 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.259 -18.067 -31.639 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.414 -16.421 -32.220 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.724 -19.001 -33.638 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.589 -18.945 -34.991 1.00 0.00 H new ATOM 1572 N ALA A 97 -6.267 -14.846 -29.145 1.00 0.00 N ATOM 1573 CA ALA A 97 -5.096 -14.437 -28.390 1.00 0.00 C ATOM 1574 C ALA A 97 -5.467 -14.083 -26.953 1.00 0.00 C ATOM 1575 O ALA A 97 -4.740 -14.416 -26.019 1.00 0.00 O ATOM 1576 CB ALA A 97 -4.401 -13.271 -29.074 1.00 0.00 C ATOM 0 H ALA A 97 -6.568 -14.175 -29.852 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.402 -15.277 -28.357 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.526 -12.978 -28.494 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.090 -13.569 -30.075 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.088 -12.428 -29.144 1.00 0.00 H new ATOM 1582 N LEU A 98 -6.615 -13.428 -26.781 1.00 0.00 N ATOM 1583 CA LEU A 98 -7.084 -13.022 -25.458 1.00 0.00 C ATOM 1584 C LEU A 98 -7.310 -14.246 -24.579 1.00 0.00 C ATOM 1585 O LEU A 98 -6.871 -14.287 -23.424 1.00 0.00 O ATOM 1586 CB LEU A 98 -8.383 -12.188 -25.594 1.00 0.00 C ATOM 1587 CG LEU A 98 -8.969 -11.584 -24.301 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -9.795 -10.352 -24.628 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -9.836 -12.600 -23.564 1.00 0.00 C ATOM 0 H LEU A 98 -7.239 -13.167 -27.545 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.324 -12.402 -24.983 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.190 -11.373 -26.291 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.146 -12.821 -26.047 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.138 -11.304 -23.654 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.204 -9.934 -23.708 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.163 -9.609 -25.115 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.611 -10.628 -25.296 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.236 -12.147 -22.657 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.659 -12.911 -24.207 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.233 -13.469 -23.300 1.00 0.00 H new ATOM 1601 N GLN A 99 -7.989 -15.243 -25.132 1.00 0.00 N ATOM 1602 CA GLN A 99 -8.257 -16.479 -24.410 1.00 0.00 C ATOM 1603 C GLN A 99 -6.968 -17.206 -24.050 1.00 0.00 C ATOM 1604 O GLN A 99 -6.882 -17.845 -23.001 1.00 0.00 O ATOM 1605 CB GLN A 99 -9.170 -17.396 -25.228 1.00 0.00 C ATOM 1606 CG GLN A 99 -10.534 -16.793 -25.518 1.00 0.00 C ATOM 1607 CD GLN A 99 -11.292 -16.427 -24.257 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -11.147 -17.071 -23.219 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -12.099 -15.393 -24.337 1.00 0.00 N ATOM 0 H GLN A 99 -8.365 -15.219 -26.080 1.00 0.00 H new ATOM 0 HA GLN A 99 -8.764 -16.213 -23.483 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.680 -17.635 -26.172 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -9.304 -18.335 -24.691 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.409 -15.902 -26.134 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.124 -17.502 -26.099 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.191 -14.885 -25.217 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.633 -15.098 -23.519 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.956 -17.092 -24.905 1.00 0.00 N ATOM 1619 CA LYS A 100 -4.685 -17.747 -24.665 1.00 0.00 C ATOM 1620 C LYS A 100 -3.953 -17.070 -23.509 1.00 0.00 C ATOM 1621 O LYS A 100 -3.378 -17.736 -22.641 1.00 0.00 O ATOM 1622 CB LYS A 100 -3.819 -17.691 -25.929 1.00 0.00 C ATOM 1623 CG LYS A 100 -2.591 -18.585 -25.880 1.00 0.00 C ATOM 1624 CD LYS A 100 -2.982 -20.050 -25.947 1.00 0.00 C ATOM 1625 CE LYS A 100 -1.769 -20.959 -25.841 1.00 0.00 C ATOM 1626 NZ LYS A 100 -2.134 -22.394 -25.961 1.00 0.00 N1+ ATOM 0 H LYS A 100 -5.996 -16.551 -25.769 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.872 -18.789 -24.405 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.428 -17.976 -26.787 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.500 -16.662 -26.092 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.928 -18.344 -26.711 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.035 -18.395 -24.962 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.680 -20.278 -25.141 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.503 -20.245 -26.884 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.054 -20.701 -26.622 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.272 -20.790 -24.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.277 -22.978 -25.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.797 -22.648 -25.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.584 -22.562 -26.883 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.978 -15.740 -23.511 1.00 0.00 N ATOM 1641 CA ILE A 101 -3.323 -14.950 -22.478 1.00 0.00 C ATOM 1642 C ILE A 101 -3.895 -15.249 -21.103 1.00 0.00 C ATOM 1643 O ILE A 101 -3.144 -15.426 -20.150 1.00 0.00 O ATOM 1644 CB ILE A 101 -3.436 -13.434 -22.765 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.742 -13.101 -24.080 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -2.827 -12.621 -21.622 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.933 -11.676 -24.529 1.00 0.00 C ATOM 0 H ILE A 101 -4.450 -15.185 -24.224 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.270 -15.232 -22.490 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.491 -13.172 -22.845 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.675 -13.299 -23.976 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.116 -13.769 -24.856 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.917 -11.558 -21.844 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.355 -12.844 -20.695 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.774 -12.881 -21.511 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.409 -11.518 -25.472 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.996 -11.477 -24.667 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.533 -11.000 -23.774 1.00 0.00 H new ATOM 1659 N ARG A 102 -5.223 -15.322 -21.000 1.00 0.00 N ATOM 1660 CA ARG A 102 -5.865 -15.611 -19.718 1.00 0.00 C ATOM 1661 C ARG A 102 -5.373 -16.927 -19.141 1.00 0.00 C ATOM 1662 O ARG A 102 -5.055 -17.006 -17.962 1.00 0.00 O ATOM 1663 CB ARG A 102 -7.393 -15.655 -19.861 1.00 0.00 C ATOM 1664 CG ARG A 102 -8.039 -14.321 -20.208 1.00 0.00 C ATOM 1665 CD ARG A 102 -7.779 -13.264 -19.136 1.00 0.00 C ATOM 1666 NE ARG A 102 -8.224 -13.689 -17.801 1.00 0.00 N ATOM 1667 CZ ARG A 102 -8.965 -12.947 -16.965 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -9.413 -11.749 -17.333 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -9.268 -13.415 -15.760 1.00 0.00 N ATOM 0 H ARG A 102 -5.868 -15.187 -21.779 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.596 -14.804 -19.036 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.651 -16.380 -20.633 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.821 -16.018 -18.927 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.653 -13.969 -21.165 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.114 -14.459 -20.328 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.713 -13.039 -19.105 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.292 -12.342 -19.409 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.948 -14.619 -17.486 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.194 -11.385 -18.260 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.976 -11.195 -16.688 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.937 -14.336 -15.473 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.831 -12.853 -15.122 1.00 0.00 H new ATOM 1683 N GLU A 103 -5.276 -17.946 -19.975 1.00 0.00 N ATOM 1684 CA GLU A 103 -4.827 -19.244 -19.507 1.00 0.00 C ATOM 1685 C GLU A 103 -3.379 -19.195 -19.031 1.00 0.00 C ATOM 1686 O GLU A 103 -3.060 -19.696 -17.956 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.987 -20.301 -20.600 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.429 -20.675 -20.889 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.117 -21.285 -19.688 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -8.029 -20.651 -19.134 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.740 -22.413 -19.287 1.00 0.00 O1- ATOM 0 H GLU A 103 -5.499 -17.902 -20.969 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.453 -19.519 -18.658 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.527 -19.933 -21.517 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.441 -21.198 -20.307 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.976 -19.787 -21.205 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.459 -21.381 -21.719 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.500 -18.589 -19.821 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.091 -18.490 -19.457 1.00 0.00 C ATOM 1700 C LEU A 104 -0.859 -17.585 -18.243 1.00 0.00 C ATOM 1701 O LEU A 104 -0.073 -17.920 -17.357 1.00 0.00 O ATOM 1702 CB LEU A 104 -0.280 -17.969 -20.648 1.00 0.00 C ATOM 1703 CG LEU A 104 -0.273 -18.860 -21.895 1.00 0.00 C ATOM 1704 CD1 LEU A 104 0.517 -18.203 -23.015 1.00 0.00 C ATOM 1705 CD2 LEU A 104 0.298 -20.235 -21.575 1.00 0.00 C ATOM 0 H LEU A 104 -2.737 -18.160 -20.715 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.760 -19.492 -19.185 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.669 -16.990 -20.927 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.750 -17.822 -20.324 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.303 -18.988 -22.227 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.511 -18.850 -23.892 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.062 -17.245 -23.267 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.545 -18.042 -22.690 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.293 -20.850 -22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.321 -20.129 -21.214 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.311 -20.712 -20.807 1.00 0.00 H new ATOM 1717 N ALA A 105 -1.540 -16.450 -18.201 1.00 0.00 N ATOM 1718 CA ALA A 105 -1.349 -15.478 -17.125 1.00 0.00 C ATOM 1719 C ALA A 105 -1.954 -15.946 -15.806 1.00 0.00 C ATOM 1720 O ALA A 105 -1.467 -15.591 -14.734 1.00 0.00 O ATOM 1721 CB ALA A 105 -1.927 -14.127 -17.520 1.00 0.00 C ATOM 0 H ALA A 105 -2.232 -16.175 -18.899 1.00 0.00 H new ATOM 0 HA ALA A 105 -0.275 -15.379 -16.971 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -1.776 -13.415 -16.708 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.425 -13.765 -18.417 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -2.994 -14.231 -17.718 1.00 0.00 H new