USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=5 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 96:sc= 1.29 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.981 K(o=2.3,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -0.804 K(o=-0.8,f=-3!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.165 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 44 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.9) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -110:sc= 0.31 (180deg=0.0111) USER MOD Single : A 64 GLN : amide:sc= 1.16 K(o=1.2,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= -0.0342 K(o=-0.034,f=-0.87) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 73 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0.888 (180deg=0.763) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 89 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.029) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 99 GLN : amide:sc= 0.578 K(o=0.58,f=-6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 -4.714 -4.399 -8.904 1.00 0.00 N ATOM 65 CA LYS A 5 -5.092 -3.393 -9.885 1.00 0.00 C ATOM 66 C LYS A 5 -4.788 -3.897 -11.289 1.00 0.00 C ATOM 67 O LYS A 5 -5.564 -3.684 -12.217 1.00 0.00 O ATOM 68 CB LYS A 5 -4.392 -2.059 -9.619 1.00 0.00 C ATOM 69 CG LYS A 5 -4.713 -1.466 -8.252 1.00 0.00 C ATOM 70 CD LYS A 5 -4.407 0.026 -8.194 1.00 0.00 C ATOM 71 CE LYS A 5 -5.349 0.819 -9.095 1.00 0.00 C ATOM 72 NZ LYS A 5 -5.160 2.279 -8.952 1.00 0.00 N1+ ATOM 0 HA LYS A 5 -6.164 -3.217 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.314 -2.201 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.680 -1.346 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.766 -1.630 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.136 -1.985 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.499 0.379 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.375 0.200 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.183 0.533 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.381 0.562 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.820 2.778 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.344 2.558 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.183 2.529 -9.206 1.00 0.00 H new ATOM 86 N LEU A 6 -3.625 -4.526 -11.439 1.00 0.00 N ATOM 87 CA LEU A 6 -3.266 -5.195 -12.691 1.00 0.00 C ATOM 88 C LEU A 6 -4.410 -6.110 -13.148 1.00 0.00 C ATOM 89 O LEU A 6 -4.861 -6.031 -14.291 1.00 0.00 O ATOM 90 CB LEU A 6 -1.982 -6.015 -12.502 1.00 0.00 C ATOM 91 CG LEU A 6 -1.431 -6.708 -13.752 1.00 0.00 C ATOM 92 CD1 LEU A 6 -0.932 -5.685 -14.760 1.00 0.00 C ATOM 93 CD2 LEU A 6 -0.319 -7.676 -13.378 1.00 0.00 C ATOM 0 H LEU A 6 -2.914 -4.588 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.093 -4.438 -13.456 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.209 -5.355 -12.108 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.170 -6.775 -11.744 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.240 -7.274 -14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.545 -6.200 -15.640 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.754 -5.033 -15.054 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.138 -5.088 -14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.061 -8.159 -14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.489 -7.131 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.709 -8.432 -12.697 1.00 0.00 H new ATOM 105 N ARG A 7 -4.878 -6.960 -12.246 1.00 0.00 N ATOM 106 CA ARG A 7 -6.005 -7.843 -12.531 1.00 0.00 C ATOM 107 C ARG A 7 -7.289 -7.045 -12.803 1.00 0.00 C ATOM 108 O ARG A 7 -8.024 -7.336 -13.752 1.00 0.00 O ATOM 109 CB ARG A 7 -6.217 -8.823 -11.370 1.00 0.00 C ATOM 110 CG ARG A 7 -7.332 -9.824 -11.611 1.00 0.00 C ATOM 111 CD ARG A 7 -7.391 -10.879 -10.517 1.00 0.00 C ATOM 112 NE ARG A 7 -7.717 -10.315 -9.199 1.00 0.00 N ATOM 113 CZ ARG A 7 -8.876 -10.524 -8.559 1.00 0.00 C ATOM 114 NH1 ARG A 7 -9.851 -11.221 -9.145 1.00 0.00 N1+ ATOM 115 NH2 ARG A 7 -9.061 -10.034 -7.339 1.00 0.00 N ATOM 0 H ARG A 7 -4.494 -7.059 -11.306 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.770 -8.408 -13.433 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.288 -9.364 -11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.438 -8.257 -10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.286 -9.300 -11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.183 -10.309 -12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.137 -11.628 -10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.431 -11.391 -10.460 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.018 -9.728 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.716 -11.597 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.731 -11.378 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.320 -9.497 -6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.944 -10.194 -6.854 1.00 0.00 H new ATOM 129 N GLN A 8 -7.534 -6.036 -11.980 1.00 0.00 N ATOM 130 CA GLN A 8 -8.728 -5.197 -12.106 1.00 0.00 C ATOM 131 C GLN A 8 -8.791 -4.474 -13.452 1.00 0.00 C ATOM 132 O GLN A 8 -9.853 -4.426 -14.079 1.00 0.00 O ATOM 133 CB GLN A 8 -8.813 -4.182 -10.963 1.00 0.00 C ATOM 134 CG GLN A 8 -9.078 -4.795 -9.598 1.00 0.00 C ATOM 135 CD GLN A 8 -10.328 -5.649 -9.577 1.00 0.00 C ATOM 136 OE1 GLN A 8 -11.269 -5.419 -10.344 1.00 0.00 O ATOM 137 NE2 GLN A 8 -10.356 -6.628 -8.698 1.00 0.00 N ATOM 0 H GLN A 8 -6.919 -5.773 -11.210 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.585 -5.868 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.879 -3.621 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.605 -3.467 -11.187 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.222 -5.403 -9.304 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.173 -4.000 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.557 -6.784 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.176 -7.231 -8.632 1.00 0.00 H new ATOM 146 N THR A 9 -7.668 -3.919 -13.906 1.00 0.00 N ATOM 147 CA THR A 9 -7.626 -3.231 -15.194 1.00 0.00 C ATOM 148 C THR A 9 -7.792 -4.220 -16.343 1.00 0.00 C ATOM 149 O THR A 9 -8.164 -3.847 -17.458 1.00 0.00 O ATOM 150 CB THR A 9 -6.309 -2.442 -15.369 1.00 0.00 C ATOM 151 OG1 THR A 9 -5.189 -3.274 -15.019 1.00 0.00 O ATOM 152 CG2 THR A 9 -6.307 -1.190 -14.502 1.00 0.00 C ATOM 0 H THR A 9 -6.780 -3.932 -13.404 1.00 0.00 H new ATOM 0 HA THR A 9 -8.456 -2.524 -15.211 1.00 0.00 H new ATOM 0 HB THR A 9 -6.227 -2.141 -16.413 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.815 -3.678 -15.830 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.370 -0.652 -14.643 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.140 -0.548 -14.788 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.409 -1.473 -13.454 1.00 0.00 H new ATOM 160 N GLY A 10 -7.527 -5.489 -16.056 1.00 0.00 N ATOM 161 CA GLY A 10 -7.717 -6.517 -17.043 1.00 0.00 C ATOM 162 C GLY A 10 -9.187 -6.759 -17.239 1.00 0.00 C ATOM 163 O GLY A 10 -9.668 -6.866 -18.364 1.00 0.00 O ATOM 0 H GLY A 10 -7.184 -5.818 -15.154 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.258 -6.220 -17.986 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.226 -7.436 -16.725 1.00 0.00 H new ATOM 167 N ASP A 11 -9.902 -6.831 -16.117 1.00 0.00 N ATOM 168 CA ASP A 11 -11.353 -6.973 -16.122 1.00 0.00 C ATOM 169 C ASP A 11 -12.004 -5.839 -16.891 1.00 0.00 C ATOM 170 O ASP A 11 -12.916 -6.065 -17.681 1.00 0.00 O ATOM 171 CB ASP A 11 -11.905 -7.021 -14.694 1.00 0.00 C ATOM 172 CG ASP A 11 -11.769 -8.384 -14.063 1.00 0.00 C ATOM 173 OD1 ASP A 11 -12.544 -9.286 -14.420 1.00 0.00 O ATOM 174 OD2 ASP A 11 -10.886 -8.565 -13.195 1.00 0.00 O1- ATOM 0 H ASP A 11 -9.492 -6.793 -15.184 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.591 -7.914 -16.618 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.381 -6.288 -14.081 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.956 -6.734 -14.705 1.00 0.00 H new ATOM 179 N GLU A 12 -11.511 -4.616 -16.676 1.00 0.00 N ATOM 180 CA GLU A 12 -12.044 -3.446 -17.373 1.00 0.00 C ATOM 181 C GLU A 12 -11.865 -3.594 -18.874 1.00 0.00 C ATOM 182 O GLU A 12 -12.777 -3.298 -19.652 1.00 0.00 O ATOM 183 CB GLU A 12 -11.358 -2.162 -16.907 1.00 0.00 C ATOM 184 CG GLU A 12 -11.663 -1.767 -15.477 1.00 0.00 C ATOM 185 CD GLU A 12 -11.071 -0.420 -15.123 1.00 0.00 C ATOM 186 OE1 GLU A 12 -9.936 -0.382 -14.608 1.00 0.00 O ATOM 187 OE2 GLU A 12 -11.733 0.607 -15.365 1.00 0.00 O1- ATOM 0 H GLU A 12 -10.749 -4.413 -16.029 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.106 -3.380 -17.137 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.280 -2.282 -17.015 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.656 -1.347 -17.567 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.743 -1.738 -15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.270 -2.525 -14.800 1.00 0.00 H new ATOM 194 N LEU A 13 -10.688 -4.055 -19.277 1.00 0.00 N ATOM 195 CA LEU A 13 -10.392 -4.271 -20.682 1.00 0.00 C ATOM 196 C LEU A 13 -11.348 -5.308 -21.277 1.00 0.00 C ATOM 197 O LEU A 13 -11.840 -5.138 -22.392 1.00 0.00 O ATOM 198 CB LEU A 13 -8.934 -4.722 -20.841 1.00 0.00 C ATOM 199 CG LEU A 13 -8.412 -4.834 -22.275 1.00 0.00 C ATOM 200 CD1 LEU A 13 -8.519 -3.496 -22.989 1.00 0.00 C ATOM 201 CD2 LEU A 13 -6.972 -5.320 -22.274 1.00 0.00 C ATOM 0 H LEU A 13 -9.921 -4.287 -18.645 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.531 -3.335 -21.223 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.298 -4.022 -20.299 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.822 -5.693 -20.359 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.025 -5.559 -22.811 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.143 -3.596 -24.007 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.562 -3.181 -23.017 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.929 -2.751 -22.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.613 -5.395 -23.300 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.350 -4.615 -21.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.919 -6.299 -21.798 1.00 0.00 H new ATOM 213 N VAL A 14 -11.620 -6.368 -20.520 1.00 0.00 N ATOM 214 CA VAL A 14 -12.569 -7.392 -20.953 1.00 0.00 C ATOM 215 C VAL A 14 -13.969 -6.789 -21.101 1.00 0.00 C ATOM 216 O VAL A 14 -14.657 -7.033 -22.091 1.00 0.00 O ATOM 217 CB VAL A 14 -12.620 -8.587 -19.962 1.00 0.00 C ATOM 218 CG1 VAL A 14 -13.645 -9.622 -20.410 1.00 0.00 C ATOM 219 CG2 VAL A 14 -11.246 -9.227 -19.828 1.00 0.00 C ATOM 0 H VAL A 14 -11.199 -6.541 -19.607 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.226 -7.766 -21.918 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.924 -8.205 -18.987 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.662 -10.449 -19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.632 -9.161 -20.454 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.376 -9.997 -21.397 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.300 -10.062 -19.130 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.917 -9.589 -20.802 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.536 -8.489 -19.456 1.00 0.00 H new ATOM 229 N GLN A 15 -14.368 -5.979 -20.119 1.00 0.00 N ATOM 230 CA GLN A 15 -15.672 -5.306 -20.146 1.00 0.00 C ATOM 231 C GLN A 15 -15.805 -4.453 -21.405 1.00 0.00 C ATOM 232 O GLN A 15 -16.834 -4.476 -22.080 1.00 0.00 O ATOM 233 CB GLN A 15 -15.844 -4.415 -18.911 1.00 0.00 C ATOM 234 CG GLN A 15 -15.802 -5.161 -17.589 1.00 0.00 C ATOM 235 CD GLN A 15 -15.773 -4.225 -16.397 1.00 0.00 C ATOM 236 OE1 GLN A 15 -15.265 -3.106 -16.483 1.00 0.00 O ATOM 237 NE2 GLN A 15 -16.307 -4.673 -15.281 1.00 0.00 N ATOM 0 H GLN A 15 -13.807 -5.771 -19.293 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.447 -6.073 -20.145 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.060 -3.658 -18.912 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.795 -3.889 -18.987 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.673 -5.812 -17.515 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.921 -5.803 -17.565 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.718 -5.606 -15.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.310 -4.087 -14.446 1.00 0.00 H new ATOM 246 N ALA A 16 -14.750 -3.716 -21.719 1.00 0.00 N ATOM 247 CA ALA A 16 -14.729 -2.866 -22.901 1.00 0.00 C ATOM 248 C ALA A 16 -14.756 -3.706 -24.172 1.00 0.00 C ATOM 249 O ALA A 16 -15.383 -3.332 -25.158 1.00 0.00 O ATOM 250 CB ALA A 16 -13.509 -1.962 -22.882 1.00 0.00 C ATOM 0 H ALA A 16 -13.892 -3.689 -21.168 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.622 -2.241 -22.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.508 -1.333 -23.772 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.537 -1.332 -21.993 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.605 -2.571 -22.867 1.00 0.00 H new ATOM 256 N PHE A 17 -14.084 -4.846 -24.132 1.00 0.00 N ATOM 257 CA PHE A 17 -14.035 -5.746 -25.274 1.00 0.00 C ATOM 258 C PHE A 17 -15.422 -6.319 -25.563 1.00 0.00 C ATOM 259 O PHE A 17 -15.816 -6.465 -26.723 1.00 0.00 O ATOM 260 CB PHE A 17 -13.025 -6.873 -25.041 1.00 0.00 C ATOM 261 CG PHE A 17 -12.836 -7.761 -26.238 1.00 0.00 C ATOM 262 CD1 PHE A 17 -12.025 -7.361 -27.288 1.00 0.00 C ATOM 263 CD2 PHE A 17 -13.470 -8.990 -26.317 1.00 0.00 C ATOM 264 CE1 PHE A 17 -11.851 -8.168 -28.392 1.00 0.00 C ATOM 265 CE2 PHE A 17 -13.298 -9.801 -27.419 1.00 0.00 C ATOM 266 CZ PHE A 17 -12.488 -9.389 -28.459 1.00 0.00 C ATOM 0 H PHE A 17 -13.563 -5.171 -23.318 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.708 -5.174 -26.143 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.064 -6.439 -24.765 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.356 -7.479 -24.197 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.523 -6.406 -27.241 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.106 -9.316 -25.507 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.216 -7.844 -29.204 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.796 -10.758 -27.469 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.354 -10.022 -29.323 1.00 0.00 H new ATOM 276 N GLN A 18 -16.162 -6.637 -24.504 1.00 0.00 N ATOM 277 CA GLN A 18 -17.519 -7.158 -24.646 1.00 0.00 C ATOM 278 C GLN A 18 -18.411 -6.104 -25.284 1.00 0.00 C ATOM 279 O GLN A 18 -19.276 -6.413 -26.108 1.00 0.00 O ATOM 280 CB GLN A 18 -18.088 -7.567 -23.289 1.00 0.00 C ATOM 281 CG GLN A 18 -17.285 -8.642 -22.584 1.00 0.00 C ATOM 282 CD GLN A 18 -17.875 -9.028 -21.246 1.00 0.00 C ATOM 283 OE1 GLN A 18 -18.522 -8.218 -20.578 1.00 0.00 O ATOM 284 NE2 GLN A 18 -17.656 -10.262 -20.843 1.00 0.00 N ATOM 0 H GLN A 18 -15.845 -6.543 -23.539 1.00 0.00 H new ATOM 0 HA GLN A 18 -17.485 -8.040 -25.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -18.140 -6.687 -22.648 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -19.109 -7.922 -23.427 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.230 -9.525 -23.221 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.264 -8.290 -22.438 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.115 -10.901 -21.426 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.027 -10.579 -19.947 1.00 0.00 H new ATOM 293 N ARG A 19 -18.174 -4.849 -24.913 1.00 0.00 N ATOM 294 CA ARG A 19 -18.911 -3.726 -25.463 1.00 0.00 C ATOM 295 C ARG A 19 -18.527 -3.536 -26.918 1.00 0.00 C ATOM 296 O ARG A 19 -19.359 -3.196 -27.758 1.00 0.00 O ATOM 297 CB ARG A 19 -18.583 -2.454 -24.680 1.00 0.00 C ATOM 298 CG ARG A 19 -19.029 -2.477 -23.227 1.00 0.00 C ATOM 299 CD ARG A 19 -18.515 -1.256 -22.481 1.00 0.00 C ATOM 300 NE ARG A 19 -18.870 -0.010 -23.163 1.00 0.00 N ATOM 301 CZ ARG A 19 -18.143 1.110 -23.124 1.00 0.00 C ATOM 302 NH1 ARG A 19 -17.049 1.181 -22.370 1.00 0.00 N1+ ATOM 303 NH2 ARG A 19 -18.522 2.164 -23.831 1.00 0.00 N ATOM 0 H ARG A 19 -17.468 -4.587 -24.225 1.00 0.00 H new ATOM 0 HA ARG A 19 -19.980 -3.927 -25.388 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.506 -2.289 -24.714 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -19.052 -1.605 -25.178 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -20.117 -2.507 -23.177 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.663 -3.383 -22.745 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.927 -1.247 -21.472 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -17.431 -1.320 -22.383 1.00 0.00 H new ATOM 0 HE ARG A 19 -19.733 0.004 -23.706 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.759 0.376 -21.815 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.500 2.041 -22.347 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -19.366 2.118 -24.402 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.970 3.021 -23.804 1.00 0.00 H new ATOM 317 N LEU A 20 -17.254 -3.783 -27.202 1.00 0.00 N ATOM 318 CA LEU A 20 -16.711 -3.655 -28.538 1.00 0.00 C ATOM 319 C LEU A 20 -17.398 -4.632 -29.472 1.00 0.00 C ATOM 320 O LEU A 20 -17.767 -4.282 -30.584 1.00 0.00 O ATOM 321 CB LEU A 20 -15.203 -3.936 -28.517 1.00 0.00 C ATOM 322 CG LEU A 20 -14.471 -3.791 -29.852 1.00 0.00 C ATOM 323 CD1 LEU A 20 -14.381 -2.334 -30.256 1.00 0.00 C ATOM 324 CD2 LEU A 20 -13.085 -4.414 -29.772 1.00 0.00 C ATOM 0 H LEU A 20 -16.571 -4.079 -26.505 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.883 -2.639 -28.893 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.739 -3.262 -27.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.049 -4.951 -28.150 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.041 -4.321 -30.615 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.857 -2.252 -31.208 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.385 -1.922 -30.358 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.836 -1.778 -29.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.579 -4.301 -30.731 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.506 -3.914 -28.995 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.176 -5.473 -29.532 1.00 0.00 H new ATOM 336 N ARG A 21 -17.581 -5.861 -28.997 1.00 0.00 N ATOM 337 CA ARG A 21 -18.218 -6.896 -29.793 1.00 0.00 C ATOM 338 C ARG A 21 -19.649 -6.549 -30.120 1.00 0.00 C ATOM 339 O ARG A 21 -20.063 -6.656 -31.258 1.00 0.00 O ATOM 340 CB ARG A 21 -18.186 -8.246 -29.082 1.00 0.00 C ATOM 341 CG ARG A 21 -16.843 -8.943 -29.112 1.00 0.00 C ATOM 342 CD ARG A 21 -16.293 -9.038 -30.529 1.00 0.00 C ATOM 343 NE ARG A 21 -17.312 -9.431 -31.526 1.00 0.00 N ATOM 344 CZ ARG A 21 -17.124 -10.359 -32.464 1.00 0.00 C ATOM 345 NH1 ARG A 21 -16.026 -11.112 -32.455 1.00 0.00 N1+ ATOM 346 NH2 ARG A 21 -18.050 -10.546 -33.395 1.00 0.00 N ATOM 0 H ARG A 21 -17.296 -6.161 -28.065 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.649 -6.963 -30.720 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.482 -8.102 -28.043 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -18.930 -8.899 -29.538 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.137 -8.401 -28.482 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -16.942 -9.944 -28.692 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.870 -8.074 -30.813 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.478 -9.762 -30.547 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.217 -8.962 -31.494 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.323 -10.980 -31.728 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.888 -11.821 -33.175 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.899 -9.981 -33.390 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.913 -11.254 -34.116 1.00 0.00 H new ATOM 360 N GLU A 22 -20.390 -6.112 -29.123 1.00 0.00 N ATOM 361 CA GLU A 22 -21.783 -5.811 -29.306 1.00 0.00 C ATOM 362 C GLU A 22 -21.968 -4.702 -30.337 1.00 0.00 C ATOM 363 O GLU A 22 -22.708 -4.862 -31.303 1.00 0.00 O ATOM 364 CB GLU A 22 -22.383 -5.400 -27.974 1.00 0.00 C ATOM 365 CG GLU A 22 -23.866 -5.192 -28.021 1.00 0.00 C ATOM 366 CD GLU A 22 -24.426 -4.774 -26.689 1.00 0.00 C ATOM 367 OE1 GLU A 22 -24.485 -5.622 -25.771 1.00 0.00 O ATOM 368 OE2 GLU A 22 -24.811 -3.601 -26.544 1.00 0.00 O1- ATOM 0 H GLU A 22 -20.043 -5.959 -28.176 1.00 0.00 H new ATOM 0 HA GLU A 22 -22.294 -6.700 -29.677 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -22.155 -6.165 -27.231 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -21.906 -4.479 -27.639 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -24.101 -4.432 -28.766 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -24.350 -6.114 -28.343 1.00 0.00 H new ATOM 375 N ILE A 23 -21.278 -3.599 -30.137 1.00 0.00 N ATOM 376 CA ILE A 23 -21.319 -2.477 -31.064 1.00 0.00 C ATOM 377 C ILE A 23 -20.816 -2.867 -32.467 1.00 0.00 C ATOM 378 O ILE A 23 -21.348 -2.401 -33.480 1.00 0.00 O ATOM 379 CB ILE A 23 -20.498 -1.300 -30.504 1.00 0.00 C ATOM 380 CG1 ILE A 23 -21.075 -0.877 -29.153 1.00 0.00 C ATOM 381 CG2 ILE A 23 -20.507 -0.129 -31.465 1.00 0.00 C ATOM 382 CD1 ILE A 23 -20.279 0.194 -28.463 1.00 0.00 C ATOM 0 H ILE A 23 -20.672 -3.450 -29.330 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.360 -2.172 -31.169 1.00 0.00 H new ATOM 0 HB ILE A 23 -19.465 -1.622 -30.375 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.095 -0.521 -29.299 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.132 -1.750 -28.503 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -19.921 0.689 -31.047 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -20.074 -0.436 -32.417 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -21.533 0.204 -31.623 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -20.750 0.441 -27.512 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -19.265 -0.164 -28.284 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -20.243 1.083 -29.092 1.00 0.00 H new ATOM 394 N PHE A 24 -19.810 -3.730 -32.514 1.00 0.00 N ATOM 395 CA PHE A 24 -19.247 -4.165 -33.792 1.00 0.00 C ATOM 396 C PHE A 24 -20.257 -5.030 -34.534 1.00 0.00 C ATOM 397 O PHE A 24 -20.521 -4.824 -35.720 1.00 0.00 O ATOM 398 CB PHE A 24 -17.940 -4.937 -33.601 1.00 0.00 C ATOM 399 CG PHE A 24 -17.246 -5.261 -34.898 1.00 0.00 C ATOM 400 CD1 PHE A 24 -16.293 -4.403 -35.418 1.00 0.00 C ATOM 401 CD2 PHE A 24 -17.551 -6.422 -35.599 1.00 0.00 C ATOM 402 CE1 PHE A 24 -15.657 -4.692 -36.608 1.00 0.00 C ATOM 403 CE2 PHE A 24 -16.918 -6.715 -36.790 1.00 0.00 C ATOM 404 CZ PHE A 24 -15.969 -5.850 -37.296 1.00 0.00 C ATOM 0 H PHE A 24 -19.368 -4.141 -31.692 1.00 0.00 H new ATOM 0 HA PHE A 24 -19.024 -3.274 -34.379 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.268 -4.351 -32.974 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.148 -5.864 -33.067 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -16.044 -3.497 -34.886 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -18.292 -7.103 -35.207 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.915 -4.013 -37.002 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -17.165 -7.620 -37.325 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.471 -6.077 -38.227 1.00 0.00 H new ATOM 414 N ASP A 25 -20.826 -5.992 -33.816 1.00 0.00 N ATOM 415 CA ASP A 25 -21.845 -6.883 -34.368 1.00 0.00 C ATOM 416 C ASP A 25 -23.082 -6.083 -34.796 1.00 0.00 C ATOM 417 O ASP A 25 -23.859 -6.523 -35.642 1.00 0.00 O ATOM 418 CB ASP A 25 -22.253 -7.951 -33.328 1.00 0.00 C ATOM 419 CG ASP A 25 -21.167 -8.999 -33.022 1.00 0.00 C ATOM 420 OD1 ASP A 25 -19.962 -8.711 -33.183 1.00 0.00 O ATOM 421 OD2 ASP A 25 -21.532 -10.120 -32.587 1.00 0.00 O1- ATOM 0 H ASP A 25 -20.597 -6.177 -32.840 1.00 0.00 H new ATOM 0 HA ASP A 25 -21.423 -7.381 -35.241 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -22.526 -7.449 -32.400 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.145 -8.466 -33.686 1.00 0.00 H new ATOM 426 N LYS A 26 -23.256 -4.909 -34.194 1.00 0.00 N ATOM 427 CA LYS A 26 -24.365 -4.014 -34.532 1.00 0.00 C ATOM 428 C LYS A 26 -23.987 -3.032 -35.647 1.00 0.00 C ATOM 429 O LYS A 26 -24.803 -2.197 -36.042 1.00 0.00 O ATOM 430 CB LYS A 26 -24.839 -3.237 -33.297 1.00 0.00 C ATOM 431 CG LYS A 26 -25.550 -4.088 -32.256 1.00 0.00 C ATOM 432 CD LYS A 26 -26.826 -4.695 -32.814 1.00 0.00 C ATOM 433 CE LYS A 26 -27.561 -5.499 -31.760 1.00 0.00 C ATOM 434 NZ LYS A 26 -28.795 -6.117 -32.303 1.00 0.00 N1+ ATOM 0 H LYS A 26 -22.640 -4.552 -33.464 1.00 0.00 H new ATOM 0 HA LYS A 26 -25.179 -4.642 -34.894 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.978 -2.758 -32.831 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.511 -2.441 -33.619 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.885 -4.883 -31.918 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -25.786 -3.477 -31.385 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.475 -3.903 -33.188 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -26.585 -5.337 -33.662 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.904 -6.278 -31.373 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -27.817 -4.852 -30.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -29.271 -6.659 -31.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -29.433 -5.372 -32.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.548 -6.754 -33.087 1.00 0.00 H new ATOM 448 N GLY A 27 -22.762 -3.146 -36.162 1.00 0.00 N ATOM 449 CA GLY A 27 -22.296 -2.256 -37.225 1.00 0.00 C ATOM 450 C GLY A 27 -22.351 -0.772 -36.873 1.00 0.00 C ATOM 451 O GLY A 27 -22.487 0.070 -37.763 1.00 0.00 O ATOM 0 H GLY A 27 -22.079 -3.841 -35.862 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.269 -2.519 -37.479 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.899 -2.428 -38.117 1.00 0.00 H new ATOM 455 N ASP A 28 -22.268 -0.445 -35.596 1.00 0.00 N ATOM 456 CA ASP A 28 -22.320 0.954 -35.180 1.00 0.00 C ATOM 457 C ASP A 28 -20.916 1.559 -35.111 1.00 0.00 C ATOM 458 O ASP A 28 -20.288 1.592 -34.053 1.00 0.00 O ATOM 459 CB ASP A 28 -23.036 1.098 -33.832 1.00 0.00 C ATOM 460 CG ASP A 28 -23.387 2.539 -33.493 1.00 0.00 C ATOM 461 OD1 ASP A 28 -22.480 3.387 -33.429 1.00 0.00 O ATOM 462 OD2 ASP A 28 -24.588 2.825 -33.277 1.00 0.00 O1- ATOM 0 H ASP A 28 -22.166 -1.116 -34.834 1.00 0.00 H new ATOM 0 HA ASP A 28 -22.890 1.503 -35.930 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -23.949 0.502 -33.847 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -22.402 0.690 -33.045 1.00 0.00 H new ATOM 467 N ASP A 29 -20.420 1.997 -36.260 1.00 0.00 N ATOM 468 CA ASP A 29 -19.093 2.621 -36.364 1.00 0.00 C ATOM 469 C ASP A 29 -18.947 3.835 -35.448 1.00 0.00 C ATOM 470 O ASP A 29 -17.873 4.078 -34.896 1.00 0.00 O ATOM 471 CB ASP A 29 -18.819 3.060 -37.809 1.00 0.00 C ATOM 472 CG ASP A 29 -18.633 1.904 -38.767 1.00 0.00 C ATOM 473 OD1 ASP A 29 -17.475 1.575 -39.089 1.00 0.00 O ATOM 474 OD2 ASP A 29 -19.644 1.333 -39.225 1.00 0.00 O1- ATOM 0 H ASP A 29 -20.918 1.934 -37.148 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.370 1.867 -36.052 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -19.647 3.679 -38.155 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.925 3.684 -37.827 1.00 0.00 H new ATOM 479 N ASP A 30 -20.028 4.580 -35.268 1.00 0.00 N ATOM 480 CA ASP A 30 -19.980 5.817 -34.487 1.00 0.00 C ATOM 481 C ASP A 30 -19.660 5.562 -33.026 1.00 0.00 C ATOM 482 O ASP A 30 -18.759 6.191 -32.462 1.00 0.00 O ATOM 483 CB ASP A 30 -21.289 6.594 -34.610 1.00 0.00 C ATOM 484 CG ASP A 30 -21.453 7.237 -35.964 1.00 0.00 C ATOM 485 OD1 ASP A 30 -22.303 6.774 -36.750 1.00 0.00 O ATOM 486 OD2 ASP A 30 -20.732 8.213 -36.249 1.00 0.00 O1- ATOM 0 H ASP A 30 -20.947 4.355 -35.648 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.171 6.418 -34.903 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -22.126 5.920 -34.427 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.325 7.364 -33.839 1.00 0.00 H new ATOM 491 N SER A 31 -20.371 4.634 -32.420 1.00 0.00 N ATOM 492 CA SER A 31 -20.162 4.305 -31.025 1.00 0.00 C ATOM 493 C SER A 31 -18.879 3.501 -30.857 1.00 0.00 C ATOM 494 O SER A 31 -18.202 3.597 -29.831 1.00 0.00 O ATOM 495 CB SER A 31 -21.360 3.531 -30.469 1.00 0.00 C ATOM 496 OG SER A 31 -21.226 3.310 -29.076 1.00 0.00 O ATOM 0 H SER A 31 -21.104 4.090 -32.876 1.00 0.00 H new ATOM 0 HA SER A 31 -20.065 5.233 -30.461 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.277 4.086 -30.665 1.00 0.00 H new ATOM 0 HB3 SER A 31 -21.449 2.575 -30.985 1.00 0.00 H new ATOM 0 HG SER A 31 -22.005 2.815 -28.747 1.00 0.00 H new ATOM 502 N LEU A 32 -18.542 2.732 -31.884 1.00 0.00 N ATOM 503 CA LEU A 32 -17.378 1.861 -31.858 1.00 0.00 C ATOM 504 C LEU A 32 -16.107 2.673 -31.649 1.00 0.00 C ATOM 505 O LEU A 32 -15.250 2.294 -30.859 1.00 0.00 O ATOM 506 CB LEU A 32 -17.285 1.097 -33.183 1.00 0.00 C ATOM 507 CG LEU A 32 -16.305 -0.069 -33.222 1.00 0.00 C ATOM 508 CD1 LEU A 32 -16.834 -1.232 -32.403 1.00 0.00 C ATOM 509 CD2 LEU A 32 -16.042 -0.497 -34.658 1.00 0.00 C ATOM 0 H LEU A 32 -19.068 2.696 -32.757 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.483 1.158 -31.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.277 0.719 -33.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.009 1.803 -33.966 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.361 0.257 -32.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.123 -2.057 -32.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.969 -0.917 -31.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.791 -1.559 -32.811 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.340 -1.331 -34.666 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.978 -0.806 -35.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.619 0.339 -35.215 1.00 0.00 H new ATOM 521 N GLU A 33 -16.012 3.806 -32.334 1.00 0.00 N ATOM 522 CA GLU A 33 -14.837 4.670 -32.231 1.00 0.00 C ATOM 523 C GLU A 33 -14.665 5.205 -30.813 1.00 0.00 C ATOM 524 O GLU A 33 -13.552 5.264 -30.290 1.00 0.00 O ATOM 525 CB GLU A 33 -14.933 5.827 -33.215 1.00 0.00 C ATOM 526 CG GLU A 33 -14.920 5.398 -34.668 1.00 0.00 C ATOM 527 CD GLU A 33 -15.010 6.569 -35.609 1.00 0.00 C ATOM 528 OE1 GLU A 33 -16.128 6.882 -36.070 1.00 0.00 O ATOM 529 OE2 GLU A 33 -13.969 7.196 -35.883 1.00 0.00 O1- ATOM 0 H GLU A 33 -16.733 4.150 -32.968 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.963 4.067 -32.477 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.849 6.383 -33.019 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.102 6.510 -33.040 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.006 4.840 -34.872 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.754 4.721 -34.852 1.00 0.00 H new ATOM 536 N GLN A 34 -15.774 5.577 -30.194 1.00 0.00 N ATOM 537 CA GLN A 34 -15.758 6.105 -28.836 1.00 0.00 C ATOM 538 C GLN A 34 -15.251 5.043 -27.857 1.00 0.00 C ATOM 539 O GLN A 34 -14.463 5.333 -26.954 1.00 0.00 O ATOM 540 CB GLN A 34 -17.161 6.575 -28.442 1.00 0.00 C ATOM 541 CG GLN A 34 -17.771 7.562 -29.432 1.00 0.00 C ATOM 542 CD GLN A 34 -19.162 8.021 -29.035 1.00 0.00 C ATOM 543 OE1 GLN A 34 -19.491 8.097 -27.852 1.00 0.00 O ATOM 544 NE2 GLN A 34 -19.982 8.335 -30.019 1.00 0.00 N ATOM 0 H GLN A 34 -16.703 5.523 -30.612 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.080 6.957 -28.796 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -17.815 5.708 -28.356 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -17.117 7.040 -27.457 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -17.119 8.431 -29.518 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -17.815 7.098 -30.417 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -19.670 8.258 -30.987 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -20.928 8.655 -29.812 1.00 0.00 H new ATOM 553 N VAL A 35 -15.694 3.817 -28.066 1.00 0.00 N ATOM 554 CA VAL A 35 -15.291 2.683 -27.242 1.00 0.00 C ATOM 555 C VAL A 35 -13.826 2.310 -27.483 1.00 0.00 C ATOM 556 O VAL A 35 -13.129 1.887 -26.561 1.00 0.00 O ATOM 557 CB VAL A 35 -16.210 1.465 -27.488 1.00 0.00 C ATOM 558 CG1 VAL A 35 -15.722 0.234 -26.737 1.00 0.00 C ATOM 559 CG2 VAL A 35 -17.627 1.806 -27.074 1.00 0.00 C ATOM 0 H VAL A 35 -16.345 3.575 -28.813 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.393 2.984 -26.199 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.187 1.230 -28.552 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.393 -0.602 -26.934 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.716 -0.021 -27.071 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.707 0.443 -25.667 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.274 0.946 -27.248 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.644 2.065 -26.015 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.984 2.653 -27.660 1.00 0.00 H new ATOM 569 N LEU A 36 -13.354 2.491 -28.718 1.00 0.00 N ATOM 570 CA LEU A 36 -11.963 2.173 -29.059 1.00 0.00 C ATOM 571 C LEU A 36 -11.021 2.982 -28.198 1.00 0.00 C ATOM 572 O LEU A 36 -10.018 2.465 -27.705 1.00 0.00 O ATOM 573 CB LEU A 36 -11.670 2.492 -30.526 1.00 0.00 C ATOM 574 CG LEU A 36 -12.455 1.705 -31.564 1.00 0.00 C ATOM 575 CD1 LEU A 36 -12.150 2.230 -32.953 1.00 0.00 C ATOM 576 CD2 LEU A 36 -12.127 0.225 -31.473 1.00 0.00 C ATOM 0 H LEU A 36 -13.908 2.853 -29.494 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.815 1.107 -28.885 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.859 3.553 -30.688 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.608 2.327 -30.705 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.519 1.831 -31.366 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.717 1.660 -33.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.430 3.282 -33.014 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.084 2.126 -33.155 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.698 -0.321 -32.224 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.062 0.077 -31.649 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.385 -0.145 -30.481 1.00 0.00 H new ATOM 588 N GLU A 37 -11.369 4.242 -27.983 1.00 0.00 N ATOM 589 CA GLU A 37 -10.571 5.118 -27.195 1.00 0.00 C ATOM 590 C GLU A 37 -10.545 4.638 -25.749 1.00 0.00 C ATOM 591 O GLU A 37 -9.504 4.675 -25.093 1.00 0.00 O ATOM 592 CB GLU A 37 -11.125 6.529 -27.280 1.00 0.00 C ATOM 593 CG GLU A 37 -10.281 7.533 -26.562 1.00 0.00 C ATOM 594 CD GLU A 37 -10.827 8.933 -26.661 1.00 0.00 C ATOM 595 OE1 GLU A 37 -11.614 9.335 -25.774 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.466 9.646 -27.616 1.00 0.00 O1- ATOM 0 H GLU A 37 -12.216 4.669 -28.358 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.550 5.119 -27.576 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.210 6.817 -28.328 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.132 6.544 -26.862 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.204 7.251 -25.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.271 7.512 -26.972 1.00 0.00 H new ATOM 603 N GLU A 38 -11.692 4.156 -25.273 1.00 0.00 N ATOM 604 CA GLU A 38 -11.811 3.634 -23.919 1.00 0.00 C ATOM 605 C GLU A 38 -10.902 2.423 -23.746 1.00 0.00 C ATOM 606 O GLU A 38 -10.225 2.274 -22.724 1.00 0.00 O ATOM 607 CB GLU A 38 -13.265 3.239 -23.633 1.00 0.00 C ATOM 608 CG GLU A 38 -14.232 4.408 -23.615 1.00 0.00 C ATOM 609 CD GLU A 38 -15.655 3.980 -23.331 1.00 0.00 C ATOM 610 OE1 GLU A 38 -15.965 3.656 -22.167 1.00 0.00 O ATOM 611 OE2 GLU A 38 -16.479 3.973 -24.261 1.00 0.00 O1- ATOM 0 H GLU A 38 -12.557 4.118 -25.813 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.509 4.409 -23.215 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.591 2.523 -24.388 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.309 2.730 -22.670 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.914 5.126 -22.859 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.195 4.920 -24.576 1.00 0.00 H new ATOM 618 N ILE A 39 -10.891 1.580 -24.768 1.00 0.00 N ATOM 619 CA ILE A 39 -10.068 0.381 -24.777 1.00 0.00 C ATOM 620 C ILE A 39 -8.588 0.752 -24.732 1.00 0.00 C ATOM 621 O ILE A 39 -7.831 0.217 -23.922 1.00 0.00 O ATOM 622 CB ILE A 39 -10.341 -0.487 -26.030 1.00 0.00 C ATOM 623 CG1 ILE A 39 -11.799 -0.949 -26.045 1.00 0.00 C ATOM 624 CG2 ILE A 39 -9.401 -1.689 -26.069 1.00 0.00 C ATOM 625 CD1 ILE A 39 -12.174 -1.745 -27.272 1.00 0.00 C ATOM 0 H ILE A 39 -11.450 1.708 -25.611 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.328 -0.199 -23.892 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.156 0.119 -26.917 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.987 -1.555 -25.159 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.448 -0.076 -25.978 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.610 -2.285 -26.957 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.368 -1.342 -26.099 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.553 -2.299 -25.178 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.222 -2.037 -27.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.019 -1.136 -28.162 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.552 -2.638 -27.331 1.00 0.00 H new ATOM 637 N GLU A 40 -8.194 1.694 -25.586 1.00 0.00 N ATOM 638 CA GLU A 40 -6.810 2.163 -25.649 1.00 0.00 C ATOM 639 C GLU A 40 -6.331 2.687 -24.298 1.00 0.00 C ATOM 640 O GLU A 40 -5.194 2.429 -23.890 1.00 0.00 O ATOM 641 CB GLU A 40 -6.692 3.269 -26.692 1.00 0.00 C ATOM 642 CG GLU A 40 -6.964 2.817 -28.115 1.00 0.00 C ATOM 643 CD GLU A 40 -7.139 3.981 -29.065 1.00 0.00 C ATOM 644 OE1 GLU A 40 -6.467 5.021 -28.863 1.00 0.00 O ATOM 645 OE2 GLU A 40 -7.935 3.866 -30.018 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.819 2.151 -26.250 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.182 1.316 -25.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.388 4.068 -26.438 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.689 3.693 -26.643 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.140 2.192 -28.459 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.862 2.199 -28.132 1.00 0.00 H new ATOM 652 N GLU A 41 -7.195 3.420 -23.608 1.00 0.00 N ATOM 653 CA GLU A 41 -6.856 3.965 -22.300 1.00 0.00 C ATOM 654 C GLU A 41 -6.601 2.845 -21.301 1.00 0.00 C ATOM 655 O GLU A 41 -5.629 2.884 -20.543 1.00 0.00 O ATOM 656 CB GLU A 41 -7.975 4.863 -21.788 1.00 0.00 C ATOM 657 CG GLU A 41 -8.266 6.057 -22.674 1.00 0.00 C ATOM 658 CD GLU A 41 -9.371 6.923 -22.124 1.00 0.00 C ATOM 659 OE1 GLU A 41 -9.061 7.966 -21.512 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.557 6.561 -22.289 1.00 0.00 O1- ATOM 0 H GLU A 41 -8.134 3.651 -23.932 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.947 4.557 -22.408 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.884 4.270 -21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.713 5.219 -20.792 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.361 6.654 -22.784 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.542 5.709 -23.670 1.00 0.00 H new ATOM 667 N LEU A 42 -7.467 1.838 -21.318 1.00 0.00 N ATOM 668 CA LEU A 42 -7.354 0.701 -20.417 1.00 0.00 C ATOM 669 C LEU A 42 -6.082 -0.092 -20.682 1.00 0.00 C ATOM 670 O LEU A 42 -5.459 -0.599 -19.754 1.00 0.00 O ATOM 671 CB LEU A 42 -8.580 -0.204 -20.551 1.00 0.00 C ATOM 672 CG LEU A 42 -9.918 0.442 -20.183 1.00 0.00 C ATOM 673 CD1 LEU A 42 -11.068 -0.489 -20.511 1.00 0.00 C ATOM 674 CD2 LEU A 42 -9.942 0.820 -18.710 1.00 0.00 C ATOM 0 H LEU A 42 -8.263 1.788 -21.954 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.304 1.084 -19.398 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.638 -0.558 -21.580 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.434 -1.081 -19.920 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.033 1.351 -20.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.010 -0.012 -20.242 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.064 -0.710 -21.578 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.957 -1.416 -19.949 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.901 1.278 -18.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.803 -0.074 -18.103 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.139 1.528 -18.503 1.00 0.00 H new ATOM 686 N ILE A 43 -5.697 -0.193 -21.951 1.00 0.00 N ATOM 687 CA ILE A 43 -4.492 -0.925 -22.320 1.00 0.00 C ATOM 688 C ILE A 43 -3.267 -0.272 -21.688 1.00 0.00 C ATOM 689 O ILE A 43 -2.432 -0.948 -21.078 1.00 0.00 O ATOM 690 CB ILE A 43 -4.302 -0.981 -23.860 1.00 0.00 C ATOM 691 CG1 ILE A 43 -5.469 -1.722 -24.519 1.00 0.00 C ATOM 692 CG2 ILE A 43 -2.975 -1.649 -24.216 1.00 0.00 C ATOM 693 CD1 ILE A 43 -5.407 -1.738 -26.034 1.00 0.00 C ATOM 0 H ILE A 43 -6.200 0.221 -22.736 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.604 -1.944 -21.950 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.284 0.041 -24.239 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.487 -2.749 -24.155 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.404 -1.257 -24.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.862 -1.678 -25.300 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.153 -1.081 -23.780 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.962 -2.665 -23.822 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.267 -2.281 -26.428 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.421 -0.715 -26.410 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.489 -2.230 -26.355 1.00 0.00 H new ATOM 705 N GLN A 44 -3.182 1.049 -21.813 1.00 0.00 N ATOM 706 CA GLN A 44 -2.066 1.797 -21.253 1.00 0.00 C ATOM 707 C GLN A 44 -2.056 1.714 -19.731 1.00 0.00 C ATOM 708 O GLN A 44 -1.024 1.453 -19.130 1.00 0.00 O ATOM 709 CB GLN A 44 -2.120 3.261 -21.701 1.00 0.00 C ATOM 710 CG GLN A 44 -1.904 3.463 -23.196 1.00 0.00 C ATOM 711 CD GLN A 44 -0.563 2.930 -23.669 1.00 0.00 C ATOM 712 OE1 GLN A 44 0.405 2.888 -22.909 1.00 0.00 O ATOM 713 NE2 GLN A 44 -0.490 2.533 -24.928 1.00 0.00 N ATOM 0 H GLN A 44 -3.873 1.622 -22.297 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.145 1.349 -21.625 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.088 3.679 -21.425 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.363 3.825 -21.156 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.703 2.965 -23.745 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.971 4.526 -23.429 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.314 2.583 -25.527 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.390 2.177 -25.300 1.00 0.00 H new ATOM 722 N LYS A 45 -3.219 1.902 -19.124 1.00 0.00 N ATOM 723 CA LYS A 45 -3.347 1.846 -17.665 1.00 0.00 C ATOM 724 C LYS A 45 -2.990 0.464 -17.116 1.00 0.00 C ATOM 725 O LYS A 45 -2.429 0.343 -16.029 1.00 0.00 O ATOM 726 CB LYS A 45 -4.748 2.278 -17.221 1.00 0.00 C ATOM 727 CG LYS A 45 -5.005 3.764 -17.430 1.00 0.00 C ATOM 728 CD LYS A 45 -6.402 4.173 -16.994 1.00 0.00 C ATOM 729 CE LYS A 45 -6.591 5.676 -17.130 1.00 0.00 C ATOM 730 NZ LYS A 45 -7.966 6.110 -16.780 1.00 0.00 N1+ ATOM 0 H LYS A 45 -4.092 2.095 -19.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.629 2.551 -17.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.492 1.705 -17.774 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.880 2.037 -16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.268 4.340 -16.870 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.869 4.010 -18.483 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.144 3.652 -17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.567 3.873 -15.959 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.877 6.188 -16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.369 5.976 -18.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.043 7.141 -16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.648 5.643 -17.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.172 5.850 -15.794 1.00 0.00 H new ATOM 744 N HIS A 46 -3.298 -0.567 -17.879 1.00 0.00 N ATOM 745 CA HIS A 46 -3.011 -1.935 -17.479 1.00 0.00 C ATOM 746 C HIS A 46 -1.514 -2.234 -17.659 1.00 0.00 C ATOM 747 O HIS A 46 -0.886 -2.841 -16.796 1.00 0.00 O ATOM 748 CB HIS A 46 -3.885 -2.894 -18.305 1.00 0.00 C ATOM 749 CG HIS A 46 -3.649 -4.363 -18.088 1.00 0.00 C ATOM 750 ND1 HIS A 46 -3.963 -5.032 -16.922 1.00 0.00 N ATOM 751 CD2 HIS A 46 -3.188 -5.298 -18.938 1.00 0.00 C ATOM 752 CE1 HIS A 46 -3.702 -6.324 -17.076 1.00 0.00 C ATOM 753 NE2 HIS A 46 -3.230 -6.510 -18.298 1.00 0.00 N ATOM 0 H HIS A 46 -3.752 -0.483 -18.789 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.247 -2.075 -16.424 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.931 -2.679 -18.085 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.730 -2.675 -19.361 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.845 -5.125 -19.947 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.850 -7.092 -16.331 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.945 -7.405 -18.697 1.00 0.00 H new ATOM 761 N ARG A 47 -0.952 -1.787 -18.786 1.00 0.00 N ATOM 762 CA ARG A 47 0.476 -1.980 -19.072 1.00 0.00 C ATOM 763 C ARG A 47 1.360 -1.158 -18.124 1.00 0.00 C ATOM 764 O ARG A 47 2.412 -1.623 -17.690 1.00 0.00 O ATOM 765 CB ARG A 47 0.794 -1.622 -20.535 1.00 0.00 C ATOM 766 CG ARG A 47 2.287 -1.606 -20.852 1.00 0.00 C ATOM 767 CD ARG A 47 2.560 -1.259 -22.308 1.00 0.00 C ATOM 768 NE ARG A 47 2.417 -2.418 -23.199 1.00 0.00 N ATOM 769 CZ ARG A 47 2.255 -2.330 -24.524 1.00 0.00 C ATOM 770 NH1 ARG A 47 2.141 -1.138 -25.105 1.00 0.00 N1+ ATOM 771 NH2 ARG A 47 2.223 -3.431 -25.269 1.00 0.00 N ATOM 0 H ARG A 47 -1.462 -1.289 -19.516 1.00 0.00 H new ATOM 0 HA ARG A 47 0.698 -3.035 -18.910 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.300 -2.339 -21.191 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.373 -0.642 -20.760 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.786 -0.882 -20.208 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.715 -2.582 -20.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.874 -0.474 -22.626 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.569 -0.857 -22.399 1.00 0.00 H new ATOM 0 HE ARG A 47 2.443 -3.348 -22.781 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.177 -0.290 -24.540 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.018 -1.073 -26.115 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.322 -4.347 -24.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.099 -3.360 -26.279 1.00 0.00 H new ATOM 785 N GLN A 48 0.911 0.048 -17.784 1.00 0.00 N ATOM 786 CA GLN A 48 1.674 0.943 -16.907 1.00 0.00 C ATOM 787 C GLN A 48 1.944 0.307 -15.553 1.00 0.00 C ATOM 788 O GLN A 48 2.983 0.556 -14.938 1.00 0.00 O ATOM 789 CB GLN A 48 0.943 2.277 -16.724 1.00 0.00 C ATOM 790 CG GLN A 48 1.187 3.270 -17.848 1.00 0.00 C ATOM 791 CD GLN A 48 2.602 3.812 -17.840 1.00 0.00 C ATOM 792 OE1 GLN A 48 3.220 3.946 -16.782 1.00 0.00 O ATOM 793 NE2 GLN A 48 3.126 4.120 -19.007 1.00 0.00 N ATOM 0 H GLN A 48 0.021 0.432 -18.102 1.00 0.00 H new ATOM 0 HA GLN A 48 2.634 1.128 -17.390 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.127 2.086 -16.646 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.256 2.726 -15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.991 2.787 -18.805 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.483 4.097 -17.758 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.581 3.994 -19.860 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.077 4.484 -19.059 1.00 0.00 H new ATOM 802 N LEU A 49 1.027 -0.524 -15.100 1.00 0.00 N ATOM 803 CA LEU A 49 1.180 -1.198 -13.825 1.00 0.00 C ATOM 804 C LEU A 49 2.283 -2.249 -13.906 1.00 0.00 C ATOM 805 O LEU A 49 2.986 -2.498 -12.937 1.00 0.00 O ATOM 806 CB LEU A 49 -0.142 -1.840 -13.412 1.00 0.00 C ATOM 807 CG LEU A 49 -1.297 -0.863 -13.170 1.00 0.00 C ATOM 808 CD1 LEU A 49 -2.592 -1.613 -12.939 1.00 0.00 C ATOM 809 CD2 LEU A 49 -0.991 0.048 -11.990 1.00 0.00 C ATOM 0 H LEU A 49 0.165 -0.750 -15.597 1.00 0.00 H new ATOM 0 HA LEU A 49 1.463 -0.463 -13.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.442 -2.546 -14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.022 -2.416 -12.501 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.412 -0.245 -14.060 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.400 -0.901 -12.769 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.822 -2.220 -13.814 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.488 -2.258 -12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.823 0.734 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.845 -0.554 -11.093 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.085 0.618 -12.196 1.00 0.00 H new ATOM 821 N PHE A 50 2.430 -2.845 -15.078 1.00 0.00 N ATOM 822 CA PHE A 50 3.452 -3.857 -15.309 1.00 0.00 C ATOM 823 C PHE A 50 4.825 -3.206 -15.501 1.00 0.00 C ATOM 824 O PHE A 50 5.856 -3.776 -15.138 1.00 0.00 O ATOM 825 CB PHE A 50 3.081 -4.708 -16.535 1.00 0.00 C ATOM 826 CG PHE A 50 4.108 -5.747 -16.904 1.00 0.00 C ATOM 827 CD1 PHE A 50 4.335 -6.839 -16.083 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.840 -5.631 -18.076 1.00 0.00 C ATOM 829 CE1 PHE A 50 5.273 -7.796 -16.423 1.00 0.00 C ATOM 830 CE2 PHE A 50 5.779 -6.584 -18.419 1.00 0.00 C ATOM 831 CZ PHE A 50 5.996 -7.668 -17.592 1.00 0.00 C ATOM 0 H PHE A 50 1.849 -2.644 -15.892 1.00 0.00 H new ATOM 0 HA PHE A 50 3.505 -4.505 -14.434 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.131 -5.206 -16.343 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.927 -4.047 -17.388 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.773 -6.944 -15.167 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.674 -4.786 -18.728 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.440 -8.643 -15.774 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.343 -6.481 -19.334 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.730 -8.414 -17.859 1.00 0.00 H new ATOM 841 N ASP A 51 4.825 -2.003 -16.056 1.00 0.00 N ATOM 842 CA ASP A 51 6.068 -1.281 -16.326 1.00 0.00 C ATOM 843 C ASP A 51 6.635 -0.637 -15.077 1.00 0.00 C ATOM 844 O ASP A 51 7.848 -0.604 -14.886 1.00 0.00 O ATOM 845 CB ASP A 51 5.879 -0.228 -17.417 1.00 0.00 C ATOM 846 CG ASP A 51 5.961 -0.819 -18.804 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.967 -1.508 -19.099 1.00 0.00 O ATOM 848 OD2 ASP A 51 5.035 -0.586 -19.612 1.00 0.00 O1- ATOM 0 H ASP A 51 3.979 -1.503 -16.330 1.00 0.00 H new ATOM 0 HA ASP A 51 6.785 -2.023 -16.679 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.911 0.256 -17.288 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.640 0.545 -17.308 1.00 0.00 H new ATOM 969 N GLU A 60 4.885 -15.943 -20.930 1.00 0.00 N ATOM 970 CA GLU A 60 3.878 -16.321 -21.911 1.00 0.00 C ATOM 971 C GLU A 60 2.734 -15.308 -21.910 1.00 0.00 C ATOM 972 O GLU A 60 2.297 -14.849 -22.966 1.00 0.00 O ATOM 973 CB GLU A 60 3.347 -17.722 -21.594 1.00 0.00 C ATOM 974 CG GLU A 60 2.396 -18.291 -22.639 1.00 0.00 C ATOM 975 CD GLU A 60 3.047 -18.468 -23.995 1.00 0.00 C ATOM 976 OE1 GLU A 60 4.135 -19.069 -24.066 1.00 0.00 O ATOM 977 OE2 GLU A 60 2.465 -18.019 -25.000 1.00 0.00 O1- ATOM 0 HA GLU A 60 4.332 -16.330 -22.902 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.193 -18.401 -21.484 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.834 -17.693 -20.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.019 -19.254 -22.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.536 -17.629 -22.738 1.00 0.00 H new ATOM 984 N ALA A 61 2.279 -14.943 -20.713 1.00 0.00 N ATOM 985 CA ALA A 61 1.193 -13.982 -20.556 1.00 0.00 C ATOM 986 C ALA A 61 1.578 -12.614 -21.108 1.00 0.00 C ATOM 987 O ALA A 61 0.798 -11.983 -21.806 1.00 0.00 O ATOM 988 CB ALA A 61 0.795 -13.871 -19.091 1.00 0.00 C ATOM 0 H ALA A 61 2.650 -15.302 -19.833 1.00 0.00 H new ATOM 0 HA ALA A 61 0.339 -14.344 -21.128 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.016 -13.151 -18.988 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.464 -14.844 -18.729 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.652 -13.538 -18.505 1.00 0.00 H new ATOM 994 N ALA A 62 2.794 -12.173 -20.804 1.00 0.00 N ATOM 995 CA ALA A 62 3.279 -10.879 -21.276 1.00 0.00 C ATOM 996 C ALA A 62 3.410 -10.872 -22.795 1.00 0.00 C ATOM 997 O ALA A 62 3.044 -9.903 -23.457 1.00 0.00 O ATOM 998 CB ALA A 62 4.615 -10.545 -20.628 1.00 0.00 C ATOM 0 H ALA A 62 3.462 -12.691 -20.233 1.00 0.00 H new ATOM 0 HA ALA A 62 2.553 -10.118 -20.992 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.963 -9.578 -20.990 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.494 -10.505 -19.545 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.345 -11.312 -20.884 1.00 0.00 H new ATOM 1004 N LYS A 63 3.900 -11.978 -23.339 1.00 0.00 N ATOM 1005 CA LYS A 63 4.105 -12.112 -24.775 1.00 0.00 C ATOM 1006 C LYS A 63 2.773 -12.063 -25.521 1.00 0.00 C ATOM 1007 O LYS A 63 2.641 -11.369 -26.534 1.00 0.00 O ATOM 1008 CB LYS A 63 4.812 -13.431 -25.065 1.00 0.00 C ATOM 1009 CG LYS A 63 5.062 -13.702 -26.538 1.00 0.00 C ATOM 1010 CD LYS A 63 5.565 -15.118 -26.758 1.00 0.00 C ATOM 1011 CE LYS A 63 4.554 -16.139 -26.255 1.00 0.00 C ATOM 1012 NZ LYS A 63 4.948 -17.525 -26.572 1.00 0.00 N1+ ATOM 0 H LYS A 63 4.165 -12.803 -22.801 1.00 0.00 H new ATOM 0 HA LYS A 63 4.721 -11.281 -25.119 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.767 -13.440 -24.540 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.216 -14.246 -24.655 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.141 -13.549 -27.100 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.792 -12.990 -26.923 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.754 -15.280 -27.819 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.514 -15.255 -26.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.442 -16.034 -25.176 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.580 -15.931 -26.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.310 -17.910 -27.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.925 -17.535 -26.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.888 -18.108 -25.713 1.00 0.00 H new ATOM 1026 N GLN A 64 1.786 -12.792 -25.012 1.00 0.00 N ATOM 1027 CA GLN A 64 0.459 -12.805 -25.614 1.00 0.00 C ATOM 1028 C GLN A 64 -0.246 -11.484 -25.370 1.00 0.00 C ATOM 1029 O GLN A 64 -1.067 -11.046 -26.174 1.00 0.00 O ATOM 1030 CB GLN A 64 -0.376 -13.974 -25.093 1.00 0.00 C ATOM 1031 CG GLN A 64 0.150 -15.335 -25.519 1.00 0.00 C ATOM 1032 CD GLN A 64 -0.788 -16.469 -25.156 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.002 -16.293 -25.099 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -0.232 -17.637 -24.912 1.00 0.00 N ATOM 0 H GLN A 64 1.880 -13.381 -24.185 1.00 0.00 H new ATOM 0 HA GLN A 64 0.577 -12.940 -26.689 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.407 -13.930 -24.004 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.401 -13.863 -25.446 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.312 -15.335 -26.597 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.119 -15.507 -25.051 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.781 -17.742 -24.970 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.814 -18.437 -24.665 1.00 0.00 H new ATOM 1043 N GLY A 65 0.102 -10.846 -24.262 1.00 0.00 N ATOM 1044 CA GLY A 65 -0.477 -9.564 -23.930 1.00 0.00 C ATOM 1045 C GLY A 65 -0.071 -8.528 -24.948 1.00 0.00 C ATOM 1046 O GLY A 65 -0.903 -7.784 -25.462 1.00 0.00 O ATOM 0 H GLY A 65 0.779 -11.197 -23.585 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.563 -9.645 -23.897 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.150 -9.256 -22.937 1.00 0.00 H new ATOM 1050 N ASP A 66 1.220 -8.507 -25.260 1.00 0.00 N ATOM 1051 CA ASP A 66 1.763 -7.606 -26.270 1.00 0.00 C ATOM 1052 C ASP A 66 1.213 -7.953 -27.640 1.00 0.00 C ATOM 1053 O ASP A 66 0.955 -7.072 -28.460 1.00 0.00 O ATOM 1054 CB ASP A 66 3.292 -7.659 -26.297 1.00 0.00 C ATOM 1055 CG ASP A 66 3.929 -6.943 -25.128 1.00 0.00 C ATOM 1056 OD1 ASP A 66 3.492 -5.815 -24.798 1.00 0.00 O ATOM 1057 OD2 ASP A 66 4.889 -7.483 -24.547 1.00 0.00 O1- ATOM 0 H ASP A 66 1.916 -9.110 -24.823 1.00 0.00 H new ATOM 0 HA ASP A 66 1.459 -6.593 -26.007 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.614 -8.700 -26.297 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.649 -7.215 -27.226 1.00 0.00 H new ATOM 1062 N GLN A 67 1.030 -9.249 -27.884 1.00 0.00 N ATOM 1063 CA GLN A 67 0.499 -9.730 -29.150 1.00 0.00 C ATOM 1064 C GLN A 67 -0.926 -9.219 -29.338 1.00 0.00 C ATOM 1065 O GLN A 67 -1.308 -8.798 -30.429 1.00 0.00 O ATOM 1066 CB GLN A 67 0.512 -11.261 -29.172 1.00 0.00 C ATOM 1067 CG GLN A 67 0.099 -11.874 -30.500 1.00 0.00 C ATOM 1068 CD GLN A 67 1.108 -11.619 -31.604 1.00 0.00 C ATOM 1069 OE1 GLN A 67 2.309 -11.506 -31.352 1.00 0.00 O ATOM 1070 NE2 GLN A 67 0.634 -11.534 -32.831 1.00 0.00 N ATOM 0 H GLN A 67 1.245 -9.987 -27.213 1.00 0.00 H new ATOM 0 HA GLN A 67 1.122 -9.359 -29.964 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.515 -11.607 -28.922 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.155 -11.629 -28.393 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.031 -12.949 -30.374 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.868 -11.468 -30.797 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.367 -11.633 -32.999 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.268 -11.369 -33.613 1.00 0.00 H new ATOM 1079 N TRP A 68 -1.696 -9.247 -28.254 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.071 -8.772 -28.268 1.00 0.00 C ATOM 1081 C TRP A 68 -3.104 -7.284 -28.599 1.00 0.00 C ATOM 1082 O TRP A 68 -3.958 -6.820 -29.353 1.00 0.00 O ATOM 1083 CB TRP A 68 -3.750 -9.033 -26.917 1.00 0.00 C ATOM 1084 CG TRP A 68 -5.228 -8.772 -26.934 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -6.203 -9.662 -27.265 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -5.898 -7.544 -26.613 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -7.435 -9.070 -27.177 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -7.278 -7.770 -26.778 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -5.466 -6.279 -26.205 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -8.228 -6.779 -26.550 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -6.410 -5.297 -25.979 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -7.776 -5.551 -26.151 1.00 0.00 C ATOM 0 H TRP A 68 -1.385 -9.598 -27.348 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.619 -9.318 -29.035 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.574 -10.068 -26.624 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.286 -8.404 -26.158 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -6.030 -10.688 -27.555 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -8.326 -9.525 -27.377 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.414 -6.074 -26.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -9.282 -6.972 -26.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.089 -4.315 -25.664 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -8.488 -4.761 -25.965 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.142 -6.550 -28.055 1.00 0.00 N ATOM 1104 CA VAL A 69 -2.054 -5.117 -28.286 1.00 0.00 C ATOM 1105 C VAL A 69 -1.698 -4.861 -29.743 1.00 0.00 C ATOM 1106 O VAL A 69 -2.224 -3.948 -30.373 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.005 -4.444 -27.368 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.923 -2.946 -27.642 1.00 0.00 C ATOM 1109 CG2 VAL A 69 -1.338 -4.693 -25.910 1.00 0.00 C ATOM 0 H VAL A 69 -1.412 -6.925 -27.450 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.025 -4.681 -28.051 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.033 -4.886 -27.586 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.179 -2.496 -26.984 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.636 -2.781 -28.681 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.895 -2.489 -27.457 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.590 -4.213 -25.279 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.321 -4.280 -25.686 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.342 -5.766 -25.716 1.00 0.00 H new ATOM 1119 N GLN A 70 -0.834 -5.715 -30.282 1.00 0.00 N ATOM 1120 CA GLN A 70 -0.378 -5.607 -31.643 1.00 0.00 C ATOM 1121 C GLN A 70 -1.544 -5.864 -32.595 1.00 0.00 C ATOM 1122 O GLN A 70 -1.738 -5.141 -33.572 1.00 0.00 O ATOM 1123 CB GLN A 70 0.743 -6.615 -31.876 1.00 0.00 C ATOM 1124 CG GLN A 70 1.352 -6.559 -33.250 1.00 0.00 C ATOM 1125 CD GLN A 70 2.483 -7.554 -33.420 1.00 0.00 C ATOM 1126 OE1 GLN A 70 2.493 -8.613 -32.794 1.00 0.00 O ATOM 1127 NE2 GLN A 70 3.442 -7.224 -34.257 1.00 0.00 N ATOM 0 H GLN A 70 -0.434 -6.504 -29.774 1.00 0.00 H new ATOM 0 HA GLN A 70 0.005 -4.604 -31.831 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.526 -6.446 -31.137 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.354 -7.619 -31.705 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.581 -6.758 -33.995 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.725 -5.552 -33.439 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.399 -6.337 -34.758 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.229 -7.855 -34.405 1.00 0.00 H new ATOM 1136 N LEU A 71 -2.325 -6.892 -32.284 1.00 0.00 N ATOM 1137 CA LEU A 71 -3.518 -7.219 -33.057 1.00 0.00 C ATOM 1138 C LEU A 71 -4.503 -6.054 -33.010 1.00 0.00 C ATOM 1139 O LEU A 71 -5.164 -5.742 -34.001 1.00 0.00 O ATOM 1140 CB LEU A 71 -4.181 -8.487 -32.508 1.00 0.00 C ATOM 1141 CG LEU A 71 -3.378 -9.782 -32.643 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -4.053 -10.907 -31.875 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -3.226 -10.162 -34.106 1.00 0.00 C ATOM 0 H LEU A 71 -2.152 -7.517 -31.497 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.225 -7.399 -34.091 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.401 -8.329 -31.452 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.136 -8.622 -33.016 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.386 -9.618 -32.221 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.469 -11.821 -31.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.119 -10.639 -30.821 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.055 -11.068 -32.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.652 -11.085 -34.184 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.211 -10.308 -34.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.705 -9.365 -34.637 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.572 -5.404 -31.856 1.00 0.00 N ATOM 1156 CA PHE A 72 -5.444 -4.257 -31.674 1.00 0.00 C ATOM 1157 C PHE A 72 -4.965 -3.087 -32.537 1.00 0.00 C ATOM 1158 O PHE A 72 -5.773 -2.337 -33.084 1.00 0.00 O ATOM 1159 CB PHE A 72 -5.524 -3.847 -30.199 1.00 0.00 C ATOM 1160 CG PHE A 72 -6.496 -2.728 -29.948 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -7.857 -2.981 -29.875 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -6.053 -1.425 -29.794 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -8.756 -1.957 -29.654 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -6.947 -0.398 -29.572 1.00 0.00 C ATOM 1165 CZ PHE A 72 -8.300 -0.663 -29.502 1.00 0.00 C ATOM 0 H PHE A 72 -4.030 -5.655 -31.029 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.448 -4.539 -31.992 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.814 -4.712 -29.603 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.534 -3.543 -29.859 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.219 -3.992 -29.992 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.996 -1.210 -29.848 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.814 -2.168 -29.600 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.588 0.614 -29.453 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.000 0.141 -29.329 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.641 -2.941 -32.653 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.045 -1.896 -33.490 1.00 0.00 C ATOM 1177 C GLN A 73 -3.499 -2.074 -34.930 1.00 0.00 C ATOM 1178 O GLN A 73 -3.856 -1.111 -35.605 1.00 0.00 O ATOM 1179 CB GLN A 73 -1.516 -1.969 -33.434 1.00 0.00 C ATOM 1180 CG GLN A 73 -0.931 -1.808 -32.045 1.00 0.00 C ATOM 1181 CD GLN A 73 0.546 -2.145 -31.998 1.00 0.00 C ATOM 1182 OE1 GLN A 73 1.036 -2.954 -32.786 1.00 0.00 O ATOM 1183 NE2 GLN A 73 1.257 -1.546 -31.071 1.00 0.00 N ATOM 0 H GLN A 73 -2.962 -3.534 -32.177 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.369 -0.925 -33.115 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.195 -2.928 -33.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.104 -1.194 -34.081 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.078 -0.782 -31.709 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.470 -2.451 -31.350 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.813 -0.882 -30.437 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.254 -1.745 -30.985 1.00 0.00 H new ATOM 1192 N ARG A 74 -3.488 -3.323 -35.388 1.00 0.00 N ATOM 1193 CA ARG A 74 -3.939 -3.656 -36.737 1.00 0.00 C ATOM 1194 C ARG A 74 -5.429 -3.386 -36.872 1.00 0.00 C ATOM 1195 O ARG A 74 -5.889 -2.888 -37.893 1.00 0.00 O ATOM 1196 CB ARG A 74 -3.645 -5.129 -37.072 1.00 0.00 C ATOM 1197 CG ARG A 74 -2.224 -5.408 -37.555 1.00 0.00 C ATOM 1198 CD ARG A 74 -1.183 -5.064 -36.507 1.00 0.00 C ATOM 1199 NE ARG A 74 0.169 -5.380 -36.956 1.00 0.00 N ATOM 1200 CZ ARG A 74 1.273 -4.787 -36.502 1.00 0.00 C ATOM 1201 NH1 ARG A 74 1.195 -3.842 -35.569 1.00 0.00 N1+ ATOM 1202 NH2 ARG A 74 2.453 -5.150 -36.974 1.00 0.00 N ATOM 0 H ARG A 74 -3.170 -4.124 -34.843 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.392 -3.028 -37.440 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.837 -5.733 -36.185 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.345 -5.458 -37.840 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.133 -6.461 -37.822 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.030 -4.832 -38.460 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.247 -4.003 -36.267 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.398 -5.612 -35.589 1.00 0.00 H new ATOM 0 HE ARG A 74 0.277 -6.104 -37.666 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.286 -3.567 -35.196 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.044 -3.392 -35.226 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.516 -5.881 -37.683 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.301 -4.699 -36.630 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.171 -3.718 -35.823 1.00 0.00 N ATOM 1217 CA PHE A 75 -7.610 -3.501 -35.795 1.00 0.00 C ATOM 1218 C PHE A 75 -7.913 -2.005 -35.928 1.00 0.00 C ATOM 1219 O PHE A 75 -8.743 -1.598 -36.740 1.00 0.00 O ATOM 1220 CB PHE A 75 -8.204 -4.069 -34.497 1.00 0.00 C ATOM 1221 CG PHE A 75 -9.700 -3.952 -34.393 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -10.525 -4.781 -35.138 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -10.281 -3.024 -33.544 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -11.899 -4.685 -35.039 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -11.656 -2.924 -33.442 1.00 0.00 C ATOM 1226 CZ PHE A 75 -12.465 -3.756 -34.190 1.00 0.00 C ATOM 0 H PHE A 75 -5.795 -4.142 -34.975 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.070 -4.021 -36.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.928 -5.120 -34.415 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.752 -3.554 -33.649 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.088 -5.510 -35.804 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.653 -2.372 -32.956 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.530 -5.336 -35.625 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.097 -2.196 -32.778 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.539 -3.680 -34.111 1.00 0.00 H new ATOM 1236 N ARG A 76 -7.219 -1.194 -35.132 1.00 0.00 N ATOM 1237 CA ARG A 76 -7.353 0.260 -35.200 1.00 0.00 C ATOM 1238 C ARG A 76 -6.943 0.788 -36.565 1.00 0.00 C ATOM 1239 O ARG A 76 -7.628 1.633 -37.141 1.00 0.00 O ATOM 1240 CB ARG A 76 -6.494 0.935 -34.127 1.00 0.00 C ATOM 1241 CG ARG A 76 -7.237 1.313 -32.859 1.00 0.00 C ATOM 1242 CD ARG A 76 -8.375 2.288 -33.145 1.00 0.00 C ATOM 1243 NE ARG A 76 -7.962 3.407 -34.015 1.00 0.00 N ATOM 1244 CZ ARG A 76 -7.983 4.694 -33.658 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -8.236 5.049 -32.398 1.00 0.00 N1+ ATOM 1246 NH2 ARG A 76 -7.704 5.625 -34.560 1.00 0.00 N ATOM 0 H ARG A 76 -6.555 -1.521 -34.430 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.403 0.495 -35.028 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.674 0.266 -33.865 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.048 1.835 -34.552 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.636 0.414 -32.389 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.542 1.762 -32.149 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.198 1.751 -33.617 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.752 2.686 -32.203 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.638 3.181 -34.955 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.417 4.334 -31.693 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.249 6.035 -32.139 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.476 5.356 -35.517 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.718 6.610 -34.297 1.00 0.00 H new ATOM 1260 N GLU A 77 -5.840 0.265 -37.086 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.305 0.701 -38.357 1.00 0.00 C ATOM 1262 C GLU A 77 -6.286 0.405 -39.474 1.00 0.00 C ATOM 1263 O GLU A 77 -6.465 1.210 -40.388 1.00 0.00 O ATOM 1264 CB GLU A 77 -3.972 0.004 -38.623 1.00 0.00 C ATOM 1265 CG GLU A 77 -3.345 0.360 -39.952 1.00 0.00 C ATOM 1266 CD GLU A 77 -2.009 -0.309 -40.155 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -0.974 0.365 -39.993 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -1.984 -1.519 -40.466 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.297 -0.471 -36.636 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.142 1.778 -38.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.275 0.259 -37.825 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.123 -1.075 -38.582 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.019 0.071 -40.758 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.220 1.441 -40.014 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.941 -0.739 -39.382 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.900 -1.136 -40.380 1.00 0.00 C ATOM 1277 C ALA A 78 -9.085 -0.182 -40.385 1.00 0.00 C ATOM 1278 O ALA A 78 -9.524 0.250 -41.443 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.353 -2.566 -40.143 1.00 0.00 C ATOM 0 H ALA A 78 -6.821 -1.407 -38.621 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.424 -1.091 -41.359 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.078 -2.849 -40.906 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.493 -3.233 -40.194 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.814 -2.643 -39.158 1.00 0.00 H new ATOM 1285 N ILE A 79 -9.593 0.162 -39.196 1.00 0.00 N ATOM 1286 CA ILE A 79 -10.705 1.108 -39.081 1.00 0.00 C ATOM 1287 C ILE A 79 -10.335 2.464 -39.672 1.00 0.00 C ATOM 1288 O ILE A 79 -11.135 3.079 -40.382 1.00 0.00 O ATOM 1289 CB ILE A 79 -11.121 1.302 -37.596 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -11.586 -0.027 -37.003 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -12.221 2.358 -37.475 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -12.024 0.054 -35.563 1.00 0.00 C ATOM 0 H ILE A 79 -9.253 -0.199 -38.305 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.542 0.688 -39.639 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.254 1.651 -37.036 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -12.414 -0.408 -37.601 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.775 -0.751 -37.083 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.497 2.478 -36.427 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.857 3.309 -37.865 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -13.094 2.041 -38.046 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.338 -0.933 -35.222 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.194 0.403 -34.949 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -12.858 0.750 -35.475 1.00 0.00 H new ATOM 1304 N ASP A 80 -9.120 2.916 -39.401 1.00 0.00 N ATOM 1305 CA ASP A 80 -8.661 4.198 -39.921 1.00 0.00 C ATOM 1306 C ASP A 80 -8.555 4.156 -41.442 1.00 0.00 C ATOM 1307 O ASP A 80 -8.790 5.153 -42.119 1.00 0.00 O ATOM 1308 CB ASP A 80 -7.323 4.610 -39.289 1.00 0.00 C ATOM 1309 CG ASP A 80 -7.489 5.149 -37.877 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -7.076 4.468 -36.910 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -8.040 6.259 -37.726 1.00 0.00 O1- ATOM 0 H ASP A 80 -8.437 2.419 -38.828 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.400 4.952 -39.651 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.653 3.750 -39.270 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.849 5.369 -39.911 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.216 2.986 -41.968 1.00 0.00 N ATOM 1317 CA LYS A 81 -8.119 2.779 -43.415 1.00 0.00 C ATOM 1318 C LYS A 81 -9.480 2.451 -44.037 1.00 0.00 C ATOM 1319 O LYS A 81 -9.576 2.239 -45.246 1.00 0.00 O ATOM 1320 CB LYS A 81 -7.156 1.635 -43.729 1.00 0.00 C ATOM 1321 CG LYS A 81 -5.693 1.926 -43.441 1.00 0.00 C ATOM 1322 CD LYS A 81 -4.836 0.684 -43.674 1.00 0.00 C ATOM 1323 CE LYS A 81 -5.002 0.145 -45.092 1.00 0.00 C ATOM 1324 NZ LYS A 81 -4.250 -1.114 -45.307 1.00 0.00 N1+ ATOM 0 H LYS A 81 -8.001 2.158 -41.413 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.751 3.712 -43.842 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.456 0.760 -43.153 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.258 1.374 -44.782 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.346 2.738 -44.081 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.581 2.262 -42.410 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.788 0.926 -43.496 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.111 -0.089 -42.956 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.060 -0.028 -45.291 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.662 0.895 -45.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.393 -1.441 -46.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.237 -0.945 -45.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.592 -1.840 -44.645 1.00 0.00 H new ATOM 1338 N GLY A 82 -10.526 2.391 -43.215 1.00 0.00 N ATOM 1339 CA GLY A 82 -11.845 2.034 -43.719 1.00 0.00 C ATOM 1340 C GLY A 82 -11.923 0.573 -44.137 1.00 0.00 C ATOM 1341 O GLY A 82 -12.855 0.161 -44.834 1.00 0.00 O ATOM 0 H GLY A 82 -10.486 2.582 -42.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.592 2.231 -42.950 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.091 2.668 -44.571 1.00 0.00 H new ATOM 1345 N ASP A 83 -10.948 -0.203 -43.703 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.858 -1.610 -44.054 1.00 0.00 C ATOM 1347 C ASP A 83 -11.734 -2.449 -43.131 1.00 0.00 C ATOM 1348 O ASP A 83 -11.326 -2.826 -42.034 1.00 0.00 O ATOM 1349 CB ASP A 83 -9.403 -2.081 -43.986 1.00 0.00 C ATOM 1350 CG ASP A 83 -9.180 -3.437 -44.629 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -9.955 -4.373 -44.360 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -8.198 -3.579 -45.391 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.195 0.123 -43.097 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.217 -1.736 -45.075 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.767 -1.345 -44.477 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.091 -2.126 -42.942 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.946 -2.706 -43.579 1.00 0.00 N ATOM 1358 CA LYS A 84 -13.901 -3.497 -42.813 1.00 0.00 C ATOM 1359 C LYS A 84 -13.578 -4.978 -42.889 1.00 0.00 C ATOM 1360 O LYS A 84 -13.820 -5.731 -41.944 1.00 0.00 O ATOM 1361 CB LYS A 84 -15.339 -3.227 -43.252 1.00 0.00 C ATOM 1362 CG LYS A 84 -16.048 -2.193 -42.390 1.00 0.00 C ATOM 1363 CD LYS A 84 -15.368 -0.836 -42.464 1.00 0.00 C ATOM 1364 CE LYS A 84 -15.855 0.090 -41.362 1.00 0.00 C ATOM 1365 NZ LYS A 84 -17.317 0.334 -41.429 1.00 0.00 N1+ ATOM 0 H LYS A 84 -13.300 -2.377 -44.477 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.812 -3.188 -41.772 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.337 -2.887 -44.288 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.901 -4.160 -43.224 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.084 -2.099 -42.714 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.067 -2.534 -41.355 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.289 -0.964 -42.383 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.564 -0.382 -43.435 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.606 -0.342 -40.393 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.328 1.041 -41.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.570 1.108 -40.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.581 0.594 -42.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.826 -0.529 -41.151 1.00 0.00 H new ATOM 1379 N ASP A 85 -13.017 -5.382 -44.017 1.00 0.00 N ATOM 1380 CA ASP A 85 -12.684 -6.779 -44.272 1.00 0.00 C ATOM 1381 C ASP A 85 -11.708 -7.314 -43.242 1.00 0.00 C ATOM 1382 O ASP A 85 -11.895 -8.411 -42.707 1.00 0.00 O ATOM 1383 CB ASP A 85 -12.108 -6.947 -45.680 1.00 0.00 C ATOM 1384 CG ASP A 85 -13.129 -6.669 -46.759 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -13.872 -7.599 -47.132 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -13.200 -5.509 -47.236 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.779 -4.753 -44.783 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.606 -7.356 -44.195 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.260 -6.274 -45.805 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.729 -7.962 -45.795 1.00 0.00 H new ATOM 1391 N SER A 86 -10.668 -6.548 -42.967 1.00 0.00 N ATOM 1392 CA SER A 86 -9.669 -6.933 -41.989 1.00 0.00 C ATOM 1393 C SER A 86 -10.245 -6.945 -40.578 1.00 0.00 C ATOM 1394 O SER A 86 -9.827 -7.740 -39.745 1.00 0.00 O ATOM 1395 CB SER A 86 -8.473 -5.990 -42.057 1.00 0.00 C ATOM 1396 OG SER A 86 -7.945 -5.942 -43.370 1.00 0.00 O ATOM 0 H SER A 86 -10.493 -5.647 -43.413 1.00 0.00 H new ATOM 0 HA SER A 86 -9.343 -7.945 -42.228 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.774 -4.990 -41.744 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.702 -6.322 -41.362 1.00 0.00 H new ATOM 0 HG SER A 86 -7.180 -5.330 -43.393 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.222 -6.080 -40.325 1.00 0.00 N ATOM 1403 CA LEU A 87 -11.801 -5.946 -38.990 1.00 0.00 C ATOM 1404 C LEU A 87 -12.391 -7.253 -38.509 1.00 0.00 C ATOM 1405 O LEU A 87 -12.145 -7.665 -37.383 1.00 0.00 O ATOM 1406 CB LEU A 87 -12.878 -4.863 -38.969 1.00 0.00 C ATOM 1407 CG LEU A 87 -12.407 -3.451 -39.277 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -13.558 -2.465 -39.160 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -11.275 -3.062 -38.352 1.00 0.00 C ATOM 0 H LEU A 87 -11.630 -5.461 -41.025 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.993 -5.660 -38.317 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.651 -5.132 -39.689 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.346 -4.862 -37.985 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.040 -3.424 -40.303 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.200 -1.460 -39.384 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.343 -2.737 -39.866 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.957 -2.490 -38.146 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.948 -2.049 -38.584 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.619 -3.105 -37.318 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.442 -3.752 -38.486 1.00 0.00 H new ATOM 1421 N GLU A 88 -13.157 -7.906 -39.365 1.00 0.00 N ATOM 1422 CA GLU A 88 -13.773 -9.178 -39.016 1.00 0.00 C ATOM 1423 C GLU A 88 -12.712 -10.203 -38.626 1.00 0.00 C ATOM 1424 O GLU A 88 -12.834 -10.885 -37.609 1.00 0.00 O ATOM 1425 CB GLU A 88 -14.573 -9.714 -40.198 1.00 0.00 C ATOM 1426 CG GLU A 88 -15.520 -8.705 -40.822 1.00 0.00 C ATOM 1427 CD GLU A 88 -16.291 -9.288 -41.982 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -15.812 -10.275 -42.586 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -17.382 -8.775 -42.294 1.00 0.00 O1- ATOM 0 H GLU A 88 -13.369 -7.578 -40.307 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.436 -9.011 -38.167 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.879 -10.064 -40.962 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.148 -10.580 -39.869 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -16.219 -8.349 -40.065 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.952 -7.839 -41.164 1.00 0.00 H new ATOM 1436 N GLN A 89 -11.666 -10.282 -39.430 1.00 0.00 N ATOM 1437 CA GLN A 89 -10.599 -11.244 -39.202 1.00 0.00 C ATOM 1438 C GLN A 89 -9.794 -10.901 -37.948 1.00 0.00 C ATOM 1439 O GLN A 89 -9.550 -11.764 -37.106 1.00 0.00 O ATOM 1440 CB GLN A 89 -9.669 -11.297 -40.418 1.00 0.00 C ATOM 1441 CG GLN A 89 -10.389 -11.555 -41.734 1.00 0.00 C ATOM 1442 CD GLN A 89 -11.134 -12.875 -41.747 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -12.301 -12.950 -41.360 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -10.475 -13.917 -42.199 1.00 0.00 N ATOM 0 H GLN A 89 -11.532 -9.690 -40.250 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.058 -12.221 -39.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.127 -10.354 -40.490 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.927 -12.080 -40.262 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.092 -10.744 -41.923 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.664 -11.544 -42.548 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.509 -13.814 -42.510 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.929 -14.830 -42.239 1.00 0.00 H new ATOM 1453 N LEU A 90 -9.419 -9.637 -37.818 1.00 0.00 N ATOM 1454 CA LEU A 90 -8.600 -9.177 -36.696 1.00 0.00 C ATOM 1455 C LEU A 90 -9.360 -9.220 -35.376 1.00 0.00 C ATOM 1456 O LEU A 90 -8.774 -9.468 -34.324 1.00 0.00 O ATOM 1457 CB LEU A 90 -8.082 -7.764 -36.964 1.00 0.00 C ATOM 1458 CG LEU A 90 -7.174 -7.617 -38.189 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -6.897 -6.155 -38.474 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -5.870 -8.378 -37.986 1.00 0.00 C ATOM 0 H LEU A 90 -9.669 -8.902 -38.480 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.755 -9.860 -36.607 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.937 -7.099 -37.085 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.535 -7.423 -36.085 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.689 -8.044 -39.049 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.250 -6.071 -39.347 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.837 -5.637 -38.667 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.404 -5.703 -37.613 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.239 -8.261 -38.867 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.350 -7.983 -37.113 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.086 -9.435 -37.832 1.00 0.00 H new ATOM 1472 N LEU A 91 -10.659 -8.991 -35.434 1.00 0.00 N ATOM 1473 CA LEU A 91 -11.474 -8.998 -34.235 1.00 0.00 C ATOM 1474 C LEU A 91 -11.555 -10.401 -33.656 1.00 0.00 C ATOM 1475 O LEU A 91 -11.486 -10.587 -32.436 1.00 0.00 O ATOM 1476 CB LEU A 91 -12.867 -8.456 -34.521 1.00 0.00 C ATOM 1477 CG LEU A 91 -13.772 -8.293 -33.305 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -13.153 -7.338 -32.293 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -15.133 -7.800 -33.732 1.00 0.00 C ATOM 0 H LEU A 91 -11.170 -8.799 -36.295 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.003 -8.346 -33.500 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -12.767 -7.487 -35.010 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.358 -9.122 -35.231 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.885 -9.266 -32.827 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.817 -7.238 -31.434 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -12.191 -7.730 -31.964 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -13.008 -6.362 -32.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.771 -7.687 -32.855 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -15.031 -6.837 -34.232 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -15.582 -8.519 -34.417 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.698 -11.391 -34.532 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.717 -12.778 -34.100 1.00 0.00 C ATOM 1493 C GLU A 92 -10.371 -13.155 -33.492 1.00 0.00 C ATOM 1494 O GLU A 92 -10.314 -13.873 -32.495 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.069 -13.717 -35.255 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.500 -13.572 -35.759 1.00 0.00 C ATOM 1497 CD GLU A 92 -14.533 -13.787 -34.665 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.668 -14.929 -34.177 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.224 -12.817 -34.296 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.802 -11.257 -35.538 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.491 -12.887 -33.340 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.383 -13.532 -36.082 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.911 -14.746 -34.934 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.631 -12.578 -36.186 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.672 -14.289 -36.562 1.00 0.00 H new ATOM 1506 N GLU A 93 -9.285 -12.641 -34.082 1.00 0.00 N ATOM 1507 CA GLU A 93 -7.943 -12.887 -33.561 1.00 0.00 C ATOM 1508 C GLU A 93 -7.823 -12.314 -32.155 1.00 0.00 C ATOM 1509 O GLU A 93 -7.257 -12.942 -31.261 1.00 0.00 O ATOM 1510 CB GLU A 93 -6.879 -12.246 -34.461 1.00 0.00 C ATOM 1511 CG GLU A 93 -6.865 -12.759 -35.891 1.00 0.00 C ATOM 1512 CD GLU A 93 -6.627 -14.248 -35.979 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -7.480 -14.956 -36.549 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -5.588 -14.720 -35.482 1.00 0.00 O1- ATOM 0 H GLU A 93 -9.313 -12.055 -34.917 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.779 -13.964 -33.538 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.038 -11.168 -34.478 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.898 -12.416 -34.018 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.816 -12.519 -36.367 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.088 -12.238 -36.451 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.389 -11.125 -31.966 1.00 0.00 N ATOM 1522 CA LEU A 94 -8.374 -10.460 -30.674 1.00 0.00 C ATOM 1523 C LEU A 94 -9.133 -11.280 -29.647 1.00 0.00 C ATOM 1524 O LEU A 94 -8.663 -11.483 -28.528 1.00 0.00 O ATOM 1525 CB LEU A 94 -9.003 -9.065 -30.775 1.00 0.00 C ATOM 1526 CG LEU A 94 -8.163 -7.994 -31.463 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -8.990 -6.738 -31.691 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -6.941 -7.669 -30.624 1.00 0.00 C ATOM 0 H LEU A 94 -8.866 -10.602 -32.700 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.335 -10.360 -30.360 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.949 -9.154 -31.309 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.237 -8.721 -29.767 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.836 -8.376 -32.430 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.377 -5.983 -32.183 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.847 -6.976 -32.321 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.340 -6.354 -30.733 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.349 -6.903 -31.125 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.257 -7.302 -29.648 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.338 -8.568 -30.496 1.00 0.00 H new ATOM 1540 N GLU A 95 -10.316 -11.742 -30.033 1.00 0.00 N ATOM 1541 CA GLU A 95 -11.153 -12.527 -29.146 1.00 0.00 C ATOM 1542 C GLU A 95 -10.461 -13.823 -28.731 1.00 0.00 C ATOM 1543 O GLU A 95 -10.415 -14.148 -27.552 1.00 0.00 O ATOM 1544 CB GLU A 95 -12.485 -12.842 -29.823 1.00 0.00 C ATOM 1545 CG GLU A 95 -13.519 -13.448 -28.892 1.00 0.00 C ATOM 1546 CD GLU A 95 -14.763 -13.888 -29.621 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -15.494 -13.025 -30.139 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -15.015 -15.111 -29.680 1.00 0.00 O1- ATOM 0 H GLU A 95 -10.715 -11.584 -30.958 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.334 -11.937 -28.247 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.889 -11.925 -30.252 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.308 -13.529 -30.650 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.082 -14.303 -28.376 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.788 -12.718 -28.128 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.887 -14.533 -29.703 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.218 -15.811 -29.434 1.00 0.00 C ATOM 1557 C GLN A 96 -8.011 -15.619 -28.523 1.00 0.00 C ATOM 1558 O GLN A 96 -7.764 -16.420 -27.629 1.00 0.00 O ATOM 1559 CB GLN A 96 -8.781 -16.483 -30.739 1.00 0.00 C ATOM 1560 CG GLN A 96 -9.928 -16.830 -31.677 1.00 0.00 C ATOM 1561 CD GLN A 96 -9.449 -17.459 -32.973 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -8.338 -17.191 -33.437 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -10.278 -18.293 -33.565 1.00 0.00 N ATOM 0 H GLN A 96 -9.871 -14.248 -30.682 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.936 -16.456 -28.928 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.088 -15.823 -31.260 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.234 -17.395 -30.499 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.610 -17.516 -31.174 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.494 -15.927 -31.903 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.189 -18.488 -33.149 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.010 -18.744 -34.440 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.290 -14.539 -28.746 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.102 -14.239 -27.957 1.00 0.00 C ATOM 1574 C ALA A 97 -6.495 -13.865 -26.534 1.00 0.00 C ATOM 1575 O ALA A 97 -5.857 -14.287 -25.573 1.00 0.00 O ATOM 1576 CB ALA A 97 -5.289 -13.130 -28.607 1.00 0.00 C ATOM 0 H ALA A 97 -7.503 -13.850 -29.468 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.477 -15.131 -27.917 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.407 -12.922 -28.001 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.979 -13.443 -29.604 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.898 -12.229 -28.682 1.00 0.00 H new ATOM 1582 N LEU A 98 -7.567 -13.091 -26.410 1.00 0.00 N ATOM 1583 CA LEU A 98 -8.072 -12.684 -25.104 1.00 0.00 C ATOM 1584 C LEU A 98 -8.492 -13.913 -24.298 1.00 0.00 C ATOM 1585 O LEU A 98 -8.216 -14.005 -23.095 1.00 0.00 O ATOM 1586 CB LEU A 98 -9.247 -11.694 -25.266 1.00 0.00 C ATOM 1587 CG LEU A 98 -9.824 -11.088 -23.971 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -10.408 -9.715 -24.249 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -10.900 -11.994 -23.377 1.00 0.00 C ATOM 0 H LEU A 98 -8.104 -12.732 -27.199 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.278 -12.174 -24.559 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.917 -10.876 -25.907 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.053 -12.206 -25.791 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.011 -10.995 -23.251 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.812 -9.298 -23.327 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.627 -9.058 -24.633 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.205 -9.801 -24.988 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.291 -11.544 -22.464 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.709 -12.118 -24.096 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.469 -12.968 -23.146 1.00 0.00 H new ATOM 1601 N GLN A 99 -9.150 -14.859 -24.969 1.00 0.00 N ATOM 1602 CA GLN A 99 -9.567 -16.102 -24.325 1.00 0.00 C ATOM 1603 C GLN A 99 -8.354 -16.868 -23.804 1.00 0.00 C ATOM 1604 O GLN A 99 -8.375 -17.384 -22.692 1.00 0.00 O ATOM 1605 CB GLN A 99 -10.343 -16.996 -25.312 1.00 0.00 C ATOM 1606 CG GLN A 99 -11.536 -16.321 -25.974 1.00 0.00 C ATOM 1607 CD GLN A 99 -12.639 -15.958 -25.004 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -12.876 -16.656 -24.024 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -13.311 -14.853 -25.267 1.00 0.00 N ATOM 0 H GLN A 99 -9.404 -14.788 -25.954 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.218 -15.841 -23.490 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.658 -17.337 -26.088 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.692 -17.883 -24.782 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.197 -15.418 -26.481 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.940 -16.984 -26.739 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.082 -14.301 -26.094 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.060 -14.551 -24.644 1.00 0.00 H new ATOM 1618 N LYS A 100 -7.283 -16.904 -24.596 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.072 -17.634 -24.224 1.00 0.00 C ATOM 1620 C LYS A 100 -5.383 -16.990 -23.030 1.00 0.00 C ATOM 1621 O LYS A 100 -4.969 -17.681 -22.094 1.00 0.00 O ATOM 1622 CB LYS A 100 -5.100 -17.698 -25.411 1.00 0.00 C ATOM 1623 CG LYS A 100 -5.667 -18.377 -26.645 1.00 0.00 C ATOM 1624 CD LYS A 100 -6.147 -19.784 -26.341 1.00 0.00 C ATOM 1625 CE LYS A 100 -6.800 -20.414 -27.555 1.00 0.00 C ATOM 1626 NZ LYS A 100 -7.328 -21.767 -27.262 1.00 0.00 N1+ ATOM 0 H LYS A 100 -7.230 -16.435 -25.500 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.368 -18.645 -23.945 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.799 -16.684 -25.674 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.199 -18.228 -25.100 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.495 -17.787 -27.037 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.905 -18.413 -27.423 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.305 -20.397 -26.019 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.857 -19.758 -25.515 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.612 -19.775 -27.902 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.074 -20.476 -28.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.766 -22.162 -28.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.549 -22.385 -26.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.040 -21.706 -26.506 1.00 0.00 H new ATOM 1640 N ILE A 101 -5.277 -15.669 -23.058 1.00 0.00 N ATOM 1641 CA ILE A 101 -4.624 -14.934 -21.987 1.00 0.00 C ATOM 1642 C ILE A 101 -5.357 -15.140 -20.667 1.00 0.00 C ATOM 1643 O ILE A 101 -4.732 -15.405 -19.637 1.00 0.00 O ATOM 1644 CB ILE A 101 -4.528 -13.422 -22.307 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -3.685 -13.204 -23.566 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -3.930 -12.659 -21.126 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -3.636 -11.766 -24.029 1.00 0.00 C ATOM 0 H ILE A 101 -5.636 -15.084 -23.813 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.611 -15.326 -21.897 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.533 -13.040 -22.486 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.669 -13.549 -23.375 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -4.085 -13.821 -24.371 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.871 -11.598 -21.370 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.562 -12.794 -20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.930 -13.039 -20.916 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.020 -11.693 -24.925 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.645 -11.421 -24.253 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.207 -11.145 -23.243 1.00 0.00 H new ATOM 1659 N ARG A 102 -6.685 -15.032 -20.699 1.00 0.00 N ATOM 1660 CA ARG A 102 -7.496 -15.236 -19.505 1.00 0.00 C ATOM 1661 C ARG A 102 -7.283 -16.634 -18.936 1.00 0.00 C ATOM 1662 O ARG A 102 -7.143 -16.801 -17.730 1.00 0.00 O ATOM 1663 CB ARG A 102 -8.974 -15.043 -19.826 1.00 0.00 C ATOM 1664 CG ARG A 102 -9.890 -15.199 -18.620 1.00 0.00 C ATOM 1665 CD ARG A 102 -11.307 -15.522 -19.051 1.00 0.00 C ATOM 1666 NE ARG A 102 -11.368 -16.800 -19.766 1.00 0.00 N ATOM 1667 CZ ARG A 102 -12.042 -17.005 -20.895 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -12.766 -16.031 -21.436 1.00 0.00 N1+ ATOM 1669 NH2 ARG A 102 -11.994 -18.195 -21.476 1.00 0.00 N ATOM 0 H ARG A 102 -7.219 -14.805 -21.538 1.00 0.00 H new ATOM 0 HA ARG A 102 -7.187 -14.500 -18.763 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.117 -14.050 -20.253 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.268 -15.764 -20.589 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.513 -15.991 -17.973 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.885 -14.280 -18.034 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.956 -15.561 -18.176 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.685 -14.726 -19.692 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.857 -17.589 -19.370 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.809 -15.117 -20.986 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.279 -16.198 -22.302 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.444 -18.945 -21.058 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.508 -18.361 -22.342 1.00 0.00 H new ATOM 1683 N GLU A 103 -7.248 -17.631 -19.815 1.00 0.00 N ATOM 1684 CA GLU A 103 -7.057 -19.013 -19.391 1.00 0.00 C ATOM 1685 C GLU A 103 -5.733 -19.188 -18.664 1.00 0.00 C ATOM 1686 O GLU A 103 -5.669 -19.852 -17.636 1.00 0.00 O ATOM 1687 CB GLU A 103 -7.119 -19.964 -20.587 1.00 0.00 C ATOM 1688 CG GLU A 103 -8.475 -20.017 -21.261 1.00 0.00 C ATOM 1689 CD GLU A 103 -9.577 -20.435 -20.320 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -9.771 -21.656 -20.131 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -10.268 -19.551 -19.774 1.00 0.00 O1- ATOM 0 H GLU A 103 -7.349 -17.508 -20.822 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.866 -19.257 -18.703 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.372 -19.659 -21.320 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.850 -20.967 -20.255 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.709 -19.036 -21.675 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.433 -20.714 -22.098 1.00 0.00 H new ATOM 1698 N LEU A 104 -4.686 -18.582 -19.194 1.00 0.00 N ATOM 1699 CA LEU A 104 -3.364 -18.681 -18.593 1.00 0.00 C ATOM 1700 C LEU A 104 -3.280 -17.893 -17.290 1.00 0.00 C ATOM 1701 O LEU A 104 -2.683 -18.348 -16.322 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.297 -18.191 -19.571 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.145 -19.010 -20.853 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -1.136 -18.361 -21.778 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -1.730 -20.440 -20.531 1.00 0.00 C ATOM 0 H LEU A 104 -4.724 -18.015 -20.041 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.184 -19.731 -18.363 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.527 -17.161 -19.845 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.337 -18.177 -19.055 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.110 -19.039 -21.358 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.039 -18.956 -22.686 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.472 -17.357 -22.036 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.169 -18.302 -21.278 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.627 -21.006 -21.457 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.777 -20.432 -20.003 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.489 -20.906 -19.903 1.00 0.00 H new ATOM 1717 N ALA A 105 -3.889 -16.718 -17.267 1.00 0.00 N ATOM 1718 CA ALA A 105 -3.856 -15.865 -16.084 1.00 0.00 C ATOM 1719 C ALA A 105 -4.676 -16.462 -14.943 1.00 0.00 C ATOM 1720 O ALA A 105 -4.355 -16.273 -13.765 1.00 0.00 O ATOM 1721 CB ALA A 105 -4.356 -14.470 -16.425 1.00 0.00 C ATOM 0 H ALA A 105 -4.412 -16.331 -18.052 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.821 -15.797 -15.749 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.326 -13.844 -15.533 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.720 -14.034 -17.196 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.381 -14.530 -16.791 1.00 0.00 H new